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 2aj8_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.645 174.600 0.074 0.000 1.055 39 S CA 0.000 58.237 58.200 0.061 0.000 1.107 39 S CB 0.000 63.230 63.200 0.049 0.000 0.593 40 R N 2.261 122.815 120.500 0.091 0.000 2.490 40 R HA 0.564 4.904 4.340 -0.000 0.000 0.278 40 R C 0.179 176.543 176.300 0.106 0.000 1.069 40 R CA -0.412 55.745 56.100 0.095 0.000 1.080 40 R CB 0.518 30.874 30.300 0.094 0.000 1.030 40 R HN 0.367 nan 8.270 nan 0.000 0.491 41 R N 0.163 120.732 120.500 0.116 0.000 2.827 41 R HA 0.084 4.424 4.340 -0.000 0.000 0.269 41 R C 0.252 176.640 176.300 0.147 0.000 1.048 41 R CA 0.095 56.276 56.100 0.135 0.000 1.173 41 R CB -0.058 30.344 30.300 0.170 0.000 1.070 41 R HN 0.662 nan 8.270 nan 0.000 0.498 42 T N -2.464 112.188 114.554 0.163 0.000 2.949 42 T HA 0.217 4.567 4.350 -0.000 0.000 0.287 42 T C -0.862 173.998 174.700 0.266 0.000 1.034 42 T CA -0.819 61.391 62.100 0.183 0.000 1.018 42 T CB 0.902 69.868 68.868 0.164 0.000 1.135 42 T HN 0.501 nan 8.240 nan 0.000 0.532 43 Y N 2.787 123.186 120.300 0.165 0.000 2.486 43 Y HA 0.384 4.934 4.550 -0.000 0.000 0.348 43 Y C 0.957 177.035 175.900 0.298 0.000 1.000 43 Y CA -0.372 57.874 58.100 0.244 0.000 1.253 43 Y CB -0.134 38.434 38.460 0.180 0.000 1.140 43 Y HN 1.019 nan 8.280 nan 0.000 0.526 44 T N 2.600 117.134 114.554 -0.033 0.000 2.824 44 T HA 0.130 4.480 4.350 -0.000 0.000 0.277 44 T C 1.004 175.547 174.700 -0.262 0.000 0.975 44 T CA -0.639 61.460 62.100 -0.002 0.000 0.966 44 T CB 1.110 69.954 68.868 -0.040 0.000 1.054 44 T HN 0.689 nan 8.240 nan 0.000 0.533 45 L N 0.846 121.731 121.223 -0.563 0.000 2.046 45 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 45 L C 2.616 179.294 176.870 -0.319 0.000 1.077 45 L CA 2.149 56.522 54.840 -0.779 0.000 0.747 45 L CB -1.589 39.914 42.059 -0.927 0.000 0.896 45 L HN 0.946 nan 8.230 nan 0.000 0.432 46 T N -0.328 114.070 114.554 -0.259 0.000 2.746 46 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 46 T C 1.493 176.067 174.700 -0.211 0.000 1.039 46 T CA 1.500 63.485 62.100 -0.192 0.000 1.142 46 T CB -0.377 68.405 68.868 -0.142 0.000 0.866 46 T HN 0.418 nan 8.240 nan 0.000 0.444 47 D N 0.105 120.337 120.400 -0.280 0.000 2.123 47 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 47 D C 1.755 177.912 176.300 -0.237 0.000 0.992 47 D CA 1.100 54.892 54.000 -0.347 0.000 0.833 47 D CB -0.397 40.070 40.800 -0.556 0.000 0.954 47 D HN 0.423 nan 8.370 nan 0.000 0.455 48 Y N 1.554 121.628 120.300 -0.376 0.000 2.163 48 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 48 Y C 2.221 178.110 175.900 -0.019 0.000 1.136 48 Y CA 1.189 59.264 58.100 -0.042 0.000 1.147 48 Y CB -0.615 37.879 38.460 0.057 0.000 0.987 48 Y HN -0.102 nan 8.280 nan 0.000 0.509 49 L N 0.000 120.988 121.223 -0.392 0.000 2.083 49 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 49 L C 1.908 178.642 176.870 -0.227 0.000 1.083 49 L CA 1.691 56.279 54.840 -0.420 0.000 0.752 49 L CB -0.433 41.467 42.059 -0.265 0.000 0.899 49 L HN 0.122 nan 8.230 nan 0.000 0.433 50 K N -0.638 119.659 120.400 -0.171 0.000 2.372 50 K HA 0.166 4.486 4.320 -0.000 0.000 0.200 50 K C 0.274 176.819 176.600 -0.092 0.000 1.022 50 K CA -0.038 56.181 56.287 -0.115 0.000 1.125 50 K CB 0.635 33.070 32.500 -0.108 0.000 0.855 50 K HN 0.027 nan 8.250 nan 0.000 0.524 51 S N 1.289 116.943 115.700 -0.076 0.000 3.524 51 S HA -0.155 4.315 4.470 -0.000 0.000 0.377 51 S C 1.203 175.790 174.600 -0.022 0.000 0.949 51 S CA 0.931 59.141 58.200 0.017 0.000 1.264 51 S CB -1.727 61.490 63.200 0.028 0.000 0.918 51 S HN 0.685 nan 8.310 nan 0.000 0.517 52 T N -2.317 112.159 114.554 -0.129 0.000 2.867 52 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 52 T C 0.381 174.869 174.700 -0.353 0.000 1.057 52 T CA 0.799 62.705 62.100 -0.322 0.000 1.136 52 T CB -0.325 68.204 68.868 -0.565 0.000 0.874 52 T HN 0.380 nan 8.240 nan 0.000 0.466 53 F N 2.290 122.337 119.950 0.162 0.000 2.313 53 F HA 0.610 5.137 4.527 -0.000 0.000 0.369 53 F C 0.454 176.356 175.800 0.170 0.000 1.109 53 F CA -1.508 56.602 58.000 0.183 0.000 1.132 53 F CB 0.611 39.775 39.000 0.273 0.000 1.291 53 F HN -0.236 nan 8.300 nan 0.000 0.496 54 R N 1.460 122.106 120.500 0.244 0.000 2.389 54 R HA 0.464 4.804 4.340 -0.000 0.000 0.295 54 R C -0.799 175.614 176.300 0.189 0.000 1.075 54 R CA -0.300 55.907 56.100 0.178 0.000 1.005 54 R CB 0.780 31.131 30.300 0.084 0.000 0.987 54 R HN 0.369 nan 8.270 nan 0.000 0.452 55 V N 4.793 124.835 119.914 0.213 0.000 2.383 55 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 55 V C 0.309 176.479 176.094 0.127 0.000 1.036 55 V CA -0.501 61.938 62.300 0.232 0.000 0.889 55 V CB 1.164 33.195 31.823 0.348 0.000 0.985 55 V HN 0.621 nan 8.190 nan 0.000 0.459 56 K N 4.554 124.970 120.400 0.027 0.000 2.098 56 K HA 0.669 4.988 4.320 -0.000 0.000 0.261 56 K C -0.726 175.774 176.600 -0.166 0.000 0.987 56 K CA -0.218 55.933 56.287 -0.226 0.000 0.916 56 K CB 1.391 33.783 32.500 -0.181 0.000 1.039 56 K HN 0.583 nan 8.250 nan 0.000 0.455 57 F N -0.976 118.905 119.950 -0.114 0.000 2.764 57 F HA 0.516 5.043 4.527 -0.000 0.000 0.347 57 F C -1.110 174.347 175.800 -0.572 0.000 1.151 57 F CA -1.409 56.281 58.000 -0.517 0.000 1.021 57 F CB 0.646 39.552 39.000 -0.157 0.000 1.438 57 F HN 0.363 nan 8.300 nan 0.000 0.516 58 Y N 0.525 120.412 120.300 -0.688 0.000 2.400 58 Y HA 0.479 5.029 4.550 -0.000 0.000 0.335 58 Y C -1.085 174.802 175.900 -0.022 0.000 1.066 58 Y CA -0.688 57.250 58.100 -0.270 0.000 1.285 58 Y CB 1.207 39.402 38.460 -0.442 0.000 1.103 58 Y HN 0.736 nan 8.280 nan 0.000 0.490 59 T N 7.227 121.843 114.554 0.103 0.000 2.743 59 T HA 0.574 4.924 4.350 -0.000 0.000 0.293 59 T C -0.805 173.916 174.700 0.035 0.000 0.945 59 T CA -0.316 61.832 62.100 0.080 0.000 1.030 59 T CB 0.113 69.012 68.868 0.051 0.000 0.912 59 T HN 0.509 nan 8.240 nan 0.000 0.483 60 L N 1.711 122.921 121.223 -0.023 0.000 2.371 60 L HA 0.709 5.049 4.340 -0.000 0.000 0.262 60 L C -0.663 176.146 176.870 -0.100 0.000 1.006 60 L CA -1.015 53.758 54.840 -0.111 0.000 0.818 60 L CB 1.622 43.321 42.059 -0.599 0.000 1.354 60 L HN 0.387 nan 8.230 nan 0.000 0.415 61 Q N 1.346 121.149 119.800 0.005 0.000 2.381 61 Q HA 0.342 4.681 4.340 -0.000 0.000 0.263 61 Q C -1.682 174.413 176.000 0.158 0.000 1.030 61 Q CA -0.239 55.620 55.803 0.093 0.000 0.772 61 Q CB 1.354 30.183 28.738 0.153 0.000 1.232 61 Q HN 0.667 nan 8.270 nan 0.000 0.476 62 W N 4.143 125.560 121.300 0.195 0.000 2.322 62 W HA 0.070 4.730 4.660 -0.000 0.000 0.328 62 W C 1.231 177.841 176.519 0.151 0.000 1.395 62 W CA -0.258 57.208 57.345 0.202 0.000 1.267 62 W CB 0.441 30.014 29.460 0.188 0.000 1.259 62 W HN 0.675 nan 8.180 nan 0.000 0.560 63 I N 0.847 121.658 120.570 0.401 0.000 4.154 63 I HA 0.327 4.496 4.170 -0.000 0.000 0.334 63 I C 0.594 176.808 176.117 0.161 0.000 1.371 63 I CA -0.145 61.283 61.300 0.214 0.000 1.110 63 I CB -0.138 37.914 38.000 0.088 0.000 1.085 63 I HN 0.249 nan 8.210 nan 0.000 0.398 64 S N 0.416 116.234 115.700 0.197 0.000 2.873 64 S HA 0.253 4.723 4.470 -0.000 0.000 0.303 64 S C -0.210 174.459 174.600 0.115 0.000 1.222 64 S CA 0.146 58.411 58.200 0.109 0.000 0.923 64 S CB 0.825 64.017 63.200 -0.012 0.000 1.286 64 S HN 0.249 nan 8.310 nan 0.000 0.571 65 D N -0.175 120.310 120.400 0.141 0.000 2.348 65 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 65 D C 1.101 177.550 176.300 0.248 0.000 0.998 65 D CA 1.073 55.167 54.000 0.158 0.000 0.873 65 D CB -0.364 40.566 40.800 0.216 0.000 0.925 65 D HN 0.775 nan 8.370 nan 0.000 0.524 66 H N -1.585 117.580 119.070 0.158 0.000 3.297 66 H HA 0.415 4.970 4.556 -0.000 0.000 0.254 66 H C -0.798 174.643 175.328 0.188 0.000 1.192 66 H CA -0.472 55.626 56.048 0.082 0.000 1.058 66 H CB -0.220 29.592 29.762 0.084 0.000 1.777 66 H HN 0.080 nan 8.280 nan 0.000 0.696 67 E N 1.069 121.293 120.200 0.039 0.000 2.343 67 E HA 0.479 4.829 4.350 -0.000 0.000 0.270 67 E C -1.561 175.238 176.600 0.332 0.000 0.895 67 E CA -1.225 55.208 56.400 0.055 0.000 0.767 67 E CB 2.793 32.395 29.700 -0.163 0.000 1.248 67 E HN 0.293 nan 8.360 nan 0.000 0.440 68 Y N -0.971 119.381 120.300 0.086 0.000 2.571 68 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 68 Y C -1.753 174.171 175.900 0.041 0.000 1.076 68 Y CA -1.403 56.673 58.100 -0.039 0.000 1.029 68 Y CB 0.836 38.968 38.460 -0.547 0.000 1.308 68 Y HN 0.370 nan 8.280 nan 0.000 0.461 69 L N 3.424 124.808 121.223 0.268 0.000 2.325 69 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 69 L C -1.281 175.840 176.870 0.418 0.000 1.054 69 L CA -0.908 54.073 54.840 0.236 0.000 0.804 69 L CB 1.414 43.531 42.059 0.096 0.000 1.200 69 L HN 0.799 nan 8.230 nan 0.000 0.436 70 Y N 2.945 123.413 120.300 0.281 0.000 2.396 70 Y HA 0.311 4.861 4.550 -0.000 0.000 0.332 70 Y C -0.671 175.345 175.900 0.194 0.000 1.034 70 Y CA -1.146 57.064 58.100 0.183 0.000 1.057 70 Y CB 1.566 40.116 38.460 0.149 0.000 1.220 70 Y HN 0.435 nan 8.280 nan 0.000 0.440 71 K N 5.007 125.122 120.400 -0.474 0.000 2.258 71 K HA 0.338 4.658 4.320 -0.000 0.000 0.284 71 K C -1.131 175.139 176.600 -0.550 0.000 1.051 71 K CA -0.391 55.729 56.287 -0.277 0.000 0.923 71 K CB 0.787 33.249 32.500 -0.064 0.000 1.046 71 K HN 0.846 nan 8.250 nan 0.000 0.474 72 Q N 3.619 123.316 119.800 -0.172 0.000 2.274 72 Q HA 0.107 4.447 4.340 -0.000 0.000 0.268 72 Q C -1.182 174.824 176.000 0.012 0.000 1.015 72 Q CA -0.240 55.531 55.803 -0.054 0.000 0.775 72 Q CB 1.242 30.096 28.738 0.193 0.000 1.256 72 Q HN 0.763 nan 8.270 nan 0.000 0.442 73 E N 3.084 123.279 120.200 -0.008 0.000 2.539 73 E HA -0.364 3.986 4.350 -0.000 0.000 0.253 73 E C -0.414 176.192 176.600 0.010 0.000 1.145 73 E CA 0.591 56.992 56.400 0.003 0.000 0.738 73 E CB -0.945 28.770 29.700 0.025 0.000 1.308 73 E HN 0.898 nan 8.360 nan 0.000 0.409 74 N N -1.957 116.742 118.700 -0.003 0.000 2.936 74 N HA -0.171 4.568 4.740 -0.000 0.000 0.236 74 N C -0.640 174.976 175.510 0.176 0.000 0.930 74 N CA 1.675 54.744 53.050 0.032 0.000 0.966 74 N CB -1.401 37.088 38.487 0.003 0.000 1.090 74 N HN 0.468 nan 8.380 nan 0.000 0.592 75 N N 0.467 119.239 118.700 0.119 0.000 2.492 75 N HA 0.532 5.272 4.740 -0.000 0.000 0.289 75 N C 0.030 175.617 175.510 0.129 0.000 1.133 75 N CA -0.380 52.743 53.050 0.121 0.000 0.961 75 N CB 1.379 39.907 38.487 0.067 0.000 1.186 75 N HN 0.101 nan 8.380 nan 0.000 0.493 76 I N 2.203 122.839 120.570 0.110 0.000 2.315 76 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 76 I C -0.493 175.719 176.117 0.159 0.000 1.006 76 I CA -0.416 60.951 61.300 0.111 0.000 1.265 76 I CB 0.374 38.383 38.000 0.016 0.000 1.387 76 I HN 0.252 nan 8.210 nan 0.000 0.475 77 L N 6.597 127.943 121.223 0.204 0.000 2.331 77 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 77 L C -0.594 176.381 176.870 0.174 0.000 1.022 77 L CA -0.963 53.981 54.840 0.175 0.000 0.812 77 L CB 1.963 44.153 42.059 0.218 0.000 1.257 77 L HN 0.408 nan 8.230 nan 0.000 0.435 78 L N 2.356 123.587 121.223 0.014 0.000 2.287 78 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 78 L C -1.151 175.583 176.870 -0.228 0.000 1.022 78 L CA 0.294 55.115 54.840 -0.031 0.000 0.814 78 L CB 0.735 42.819 42.059 0.042 0.000 1.217 78 L HN 0.215 nan 8.230 nan 0.000 0.420 79 F N 3.798 123.512 119.950 -0.393 0.000 2.480 79 F HA 0.445 4.971 4.527 -0.000 0.000 0.329 79 F C 0.501 176.028 175.800 -0.456 0.000 1.091 79 F CA -0.494 57.181 58.000 -0.541 0.000 0.972 79 F CB 1.527 39.851 39.000 -1.128 0.000 1.150 79 F HN 0.516 nan 8.300 nan 0.000 0.467 80 N N 2.471 121.148 118.700 -0.039 0.000 2.469 80 N HA 0.439 5.179 4.740 -0.000 0.000 0.253 80 N C -0.725 174.820 175.510 0.059 0.000 0.970 80 N CA -0.173 52.918 53.050 0.069 0.000 0.940 80 N CB 1.421 40.042 38.487 0.223 0.000 1.128 80 N HN 0.754 nan 8.380 nan 0.000 0.503 81 A N 2.823 125.625 122.820 -0.029 0.000 2.466 81 A HA 0.205 4.525 4.320 -0.000 0.000 0.238 81 A C 1.027 178.491 177.584 -0.199 0.000 1.074 81 A CA 0.723 52.678 52.037 -0.137 0.000 0.774 81 A CB -0.030 18.711 19.000 -0.432 0.000 1.015 81 A HN 1.001 nan 8.150 nan 0.000 0.498 82 E N -0.617 119.554 120.200 -0.049 0.000 4.231 82 E HA -0.326 4.023 4.350 -0.000 0.000 0.174 82 E C 0.819 177.436 176.600 0.028 0.000 1.158 82 E CA 1.824 58.235 56.400 0.018 0.000 2.501 82 E CB -1.618 28.079 29.700 -0.005 0.000 1.722 82 E HN 0.720 nan 8.360 nan 0.000 0.491 83 Y N 0.096 120.436 120.300 0.066 0.000 2.242 83 Y HA 0.076 4.626 4.550 -0.000 0.000 0.291 83 Y C 2.400 178.328 175.900 0.046 0.000 1.137 83 Y CA 2.228 60.358 58.100 0.050 0.000 1.181 83 Y CB -0.289 38.197 38.460 0.043 0.000 0.989 83 Y HN 0.593 nan 8.280 nan 0.000 0.527 84 G N -0.135 108.792 108.800 0.212 0.000 2.234 84 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.260 84 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.260 84 G C 0.344 175.351 174.900 0.180 0.000 0.987 84 G CA 0.303 45.511 45.100 0.181 0.000 0.625 84 G HN 0.512 nan 8.290 nan 0.000 0.532 85 N N 0.899 119.668 118.700 0.115 0.000 2.399 85 N HA 0.540 5.280 4.740 -0.000 0.000 0.250 85 N C 0.122 175.536 175.510 -0.160 0.000 1.272 85 N CA 0.808 53.853 53.050 -0.008 0.000 0.928 85 N CB 1.312 39.780 38.487 -0.031 0.000 1.158 85 N HN 1.151 nan 8.380 nan 0.000 0.463 86 S N -1.907 113.605 115.700 -0.313 0.000 2.638 86 S HA 0.734 5.204 4.470 -0.000 0.000 0.274 86 S C -0.958 173.443 174.600 -0.331 0.000 1.157 86 S CA -0.811 57.053 58.200 -0.560 0.000 0.826 86 S CB 1.110 63.461 63.200 -1.416 0.000 1.139 86 S HN 0.970 nan 8.310 nan 0.000 0.474 87 S N 0.036 115.568 115.700 -0.281 0.000 2.651 87 S HA 0.712 5.182 4.470 -0.000 0.000 0.279 87 S C -0.935 173.610 174.600 -0.091 0.000 1.148 87 S CA -1.068 57.046 58.200 -0.143 0.000 0.837 87 S CB 0.569 63.721 63.200 -0.081 0.000 1.138 87 S HN 0.782 nan 8.310 nan 0.000 0.478 88 I N 2.102 122.642 120.570 -0.050 0.000 2.337 88 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 88 I C 0.295 176.426 176.117 0.023 0.000 1.046 88 I CA -0.310 60.984 61.300 -0.010 0.000 1.324 88 I CB 0.480 38.460 38.000 -0.033 0.000 1.409 88 I HN 0.766 nan 8.210 nan 0.000 0.494 89 F N 7.477 127.387 119.950 -0.066 0.000 2.387 89 F HA 0.279 4.806 4.527 -0.000 0.000 0.294 89 F C 0.232 175.985 175.800 -0.079 0.000 1.093 89 F CA 0.397 58.360 58.000 -0.061 0.000 1.420 89 F CB 0.526 39.503 39.000 -0.038 0.000 1.086 89 F HN 0.308 nan 8.300 nan 0.000 0.531 90 L N 0.850 122.089 121.223 0.027 0.000 2.614 90 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 90 L C -1.182 175.612 176.870 -0.127 0.000 0.940 90 L CA -0.440 54.331 54.840 -0.116 0.000 0.903 90 L CB 1.604 43.574 42.059 -0.150 0.000 1.306 90 L HN -0.111 nan 8.230 nan 0.000 0.410 91 E N 1.934 122.046 120.200 -0.146 0.000 2.338 91 E HA 0.132 4.481 4.350 -0.000 0.000 0.272 91 E C 0.690 177.209 176.600 -0.135 0.000 1.029 91 E CA 0.098 56.434 56.400 -0.105 0.000 0.872 91 E CB 0.663 30.310 29.700 -0.089 0.000 1.015 91 E HN 0.665 nan 8.360 nan 0.000 0.417 92 N N 1.358 120.047 118.700 -0.019 0.000 2.417 92 N HA -0.221 4.519 4.740 -0.000 0.000 0.187 92 N C 0.909 176.417 175.510 -0.002 0.000 1.027 92 N CA 1.215 54.316 53.050 0.086 0.000 0.891 92 N CB -0.129 38.422 38.487 0.106 0.000 0.956 92 N HN 0.177 nan 8.380 nan 0.000 0.442 93 S N -0.200 115.459 115.700 -0.068 0.000 2.370 93 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 93 S C 1.798 176.313 174.600 -0.142 0.000 1.033 93 S CA 1.714 59.864 58.200 -0.083 0.000 1.011 93 S CB -0.830 62.323 63.200 -0.078 0.000 0.852 93 S HN 0.546 nan 8.310 nan 0.000 0.457 94 T N 1.952 116.361 114.554 -0.240 0.000 2.720 94 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 94 T C 1.404 175.839 174.700 -0.442 0.000 1.037 94 T CA 1.313 63.188 62.100 -0.376 0.000 1.144 94 T CB -0.503 68.022 68.868 -0.572 0.000 0.864 94 T HN 0.283 nan 8.240 nan 0.000 0.444 95 F N 1.958 121.695 119.950 -0.355 0.000 2.134 95 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 95 F C 2.356 177.951 175.800 -0.343 0.000 1.097 95 F CA 0.595 58.346 58.000 -0.415 0.000 1.264 95 F CB -0.672 38.152 39.000 -0.292 0.000 1.001 95 F HN 0.152 nan 8.300 nan 0.000 0.479 96 D N -0.057 120.311 120.400 -0.053 0.000 2.178 96 D HA -0.151 4.488 4.640 -0.000 0.000 0.201 96 D C 1.885 178.096 176.300 -0.149 0.000 0.980 96 D CA 1.146 55.089 54.000 -0.094 0.000 0.842 96 D CB -0.332 40.429 40.800 -0.065 0.000 0.948 96 D HN 0.414 nan 8.370 nan 0.000 0.472 97 E N -0.078 120.021 120.200 -0.169 0.000 2.427 97 E HA 0.033 4.383 4.350 -0.000 0.000 0.196 97 E C 0.398 176.859 176.600 -0.233 0.000 1.028 97 E CA -0.033 56.268 56.400 -0.164 0.000 0.864 97 E CB 0.247 29.873 29.700 -0.122 0.000 0.813 97 E HN 0.245 nan 8.360 nan 0.000 0.514 98 L N 0.283 121.285 121.223 -0.367 0.000 2.371 98 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 98 L C 1.259 177.724 176.870 -0.675 0.000 1.124 98 L CA -0.431 54.041 54.840 -0.614 0.000 0.816 98 L CB 0.839 42.335 42.059 -0.937 0.000 1.129 98 L HN 0.006 nan 8.230 nan 0.000 0.448 99 G N 2.479 110.890 108.800 -0.649 0.000 3.452 99 G HA2 0.268 4.228 3.960 -0.000 0.000 0.258 99 G HA3 0.268 4.228 3.960 -0.000 0.000 0.258 99 G C -0.440 174.298 174.900 -0.269 0.000 1.305 99 G CA 0.213 45.097 45.100 -0.360 0.000 1.514 99 G HN 0.612 nan 8.290 nan 0.000 0.593 100 Y N -4.010 116.202 120.300 -0.146 0.000 2.779 100 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 100 Y C -0.425 175.418 175.900 -0.094 0.000 1.252 100 Y CA -2.183 55.851 58.100 -0.110 0.000 1.072 100 Y CB 0.271 38.637 38.460 -0.157 0.000 1.343 100 Y HN -0.146 nan 8.280 nan 0.000 0.450 101 S N 1.161 117.014 115.700 0.256 0.000 2.422 101 S HA 0.376 4.846 4.470 -0.000 0.000 0.283 101 S C -0.491 174.232 174.600 0.205 0.000 1.163 101 S CA -0.495 57.783 58.200 0.130 0.000 1.054 101 S CB 0.156 63.395 63.200 0.066 0.000 0.967 101 S HN 0.559 nan 8.310 nan 0.000 0.499 102 T N 3.981 118.608 114.554 0.122 0.000 2.727 102 T HA 0.100 4.449 4.350 -0.000 0.000 0.295 102 T C 1.530 176.234 174.700 0.007 0.000 0.915 102 T CA -0.363 61.820 62.100 0.139 0.000 1.066 102 T CB 0.219 69.129 68.868 0.070 0.000 0.891 102 T HN 0.644 nan 8.240 nan 0.000 0.516 103 N N 2.435 121.151 118.700 0.028 0.000 2.216 103 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 103 N C 0.200 175.657 175.510 -0.088 0.000 1.017 103 N CA 0.926 53.924 53.050 -0.087 0.000 0.861 103 N CB 0.394 38.798 38.487 -0.140 0.000 0.986 103 N HN 0.606 nan 8.380 nan 0.000 0.428 104 D N -2.153 118.268 120.400 0.036 0.000 2.692 104 D HA 0.225 4.865 4.640 -0.000 0.000 0.290 104 D C -1.727 174.737 176.300 0.273 0.000 1.281 104 D CA -0.448 53.561 54.000 0.016 0.000 0.804 104 D CB 0.819 41.599 40.800 -0.033 0.000 1.331 104 D HN 0.113 nan 8.370 nan 0.000 0.432 105 Y N -1.445 119.045 120.300 0.317 0.000 2.597 105 Y HA 0.741 5.291 4.550 -0.000 0.000 0.340 105 Y C -1.293 174.809 175.900 0.337 0.000 1.097 105 Y CA -1.081 57.279 58.100 0.433 0.000 1.037 105 Y CB 1.536 40.368 38.460 0.621 0.000 1.305 105 Y HN 0.166 nan 8.280 nan 0.000 0.463 106 S N 2.121 118.180 115.700 0.599 0.000 2.736 106 S HA 0.598 5.068 4.470 -0.000 0.000 0.285 106 S C -1.519 173.470 174.600 0.649 0.000 1.163 106 S CA -0.462 58.062 58.200 0.540 0.000 1.025 106 S CB 0.720 64.187 63.200 0.445 0.000 1.030 106 S HN 1.581 nan 8.310 nan 0.000 0.486 107 V N 4.470 124.637 119.914 0.421 0.000 2.509 107 V HA 0.797 4.917 4.120 -0.000 0.000 0.284 107 V C 0.368 176.307 176.094 -0.258 0.000 1.047 107 V CA -0.170 62.237 62.300 0.178 0.000 0.952 107 V CB 1.149 33.040 31.823 0.113 0.000 0.988 107 V HN 1.079 nan 8.190 nan 0.000 0.469 108 S N 5.635 120.796 115.700 -0.898 0.000 2.563 108 S HA 0.234 4.704 4.470 -0.000 0.000 0.284 108 S C -1.367 172.914 174.600 -0.532 0.000 1.331 108 S CA -0.143 57.160 58.200 -1.495 0.000 1.047 108 S CB 0.495 62.790 63.200 -1.508 0.000 0.859 108 S HN 0.819 nan 8.310 nan 0.000 0.514 109 P HA -0.123 nan 4.420 nan 0.000 0.219 109 P C 0.675 177.921 177.300 -0.090 0.000 1.146 109 P CA 1.481 64.502 63.100 -0.131 0.000 0.808 109 P CB -0.289 31.369 31.700 -0.070 0.000 0.779 110 D N -1.232 119.107 120.400 -0.102 0.000 2.340 110 D HA -0.047 4.593 4.640 -0.000 0.000 0.220 110 D C 0.666 176.952 176.300 -0.023 0.000 1.039 110 D CA -0.215 53.768 54.000 -0.029 0.000 0.866 110 D CB -0.594 40.224 40.800 0.030 0.000 0.913 110 D HN -0.060 nan 8.370 nan 0.000 0.523 111 R N -1.349 119.123 120.500 -0.048 0.000 3.953 111 R HA -0.239 4.101 4.340 -0.000 0.000 0.340 111 R C 1.006 177.282 176.300 -0.040 0.000 1.195 111 R CA 1.348 57.479 56.100 0.051 0.000 0.929 111 R CB -2.413 27.988 30.300 0.168 0.000 1.402 111 R HN 0.349 nan 8.270 nan 0.000 0.540 112 Q N -1.101 118.595 119.800 -0.173 0.000 2.398 112 Q HA 0.179 4.519 4.340 -0.000 0.000 0.204 112 Q C -0.232 175.241 176.000 -0.877 0.000 0.932 112 Q CA 0.731 56.237 55.803 -0.494 0.000 0.916 112 Q CB 0.417 28.840 28.738 -0.525 0.000 1.024 112 Q HN 0.213 nan 8.270 nan 0.000 0.504 113 F N -0.961 118.879 119.950 -0.184 0.000 2.664 113 F HA 0.547 5.074 4.527 -0.000 0.000 0.317 113 F C -0.766 175.038 175.800 0.005 0.000 1.108 113 F CA -1.208 56.740 58.000 -0.085 0.000 0.957 113 F CB 1.673 40.666 39.000 -0.012 0.000 1.365 113 F HN -0.250 nan 8.300 nan 0.000 0.475 114 I N 1.678 122.469 120.570 0.369 0.000 2.752 114 I HA 0.509 4.678 4.170 -0.000 0.000 0.295 114 I C -2.021 174.199 176.117 0.171 0.000 1.219 114 I CA -0.881 60.593 61.300 0.290 0.000 1.030 114 I CB 1.684 39.749 38.000 0.108 0.000 1.259 114 I HN 0.428 nan 8.210 nan 0.000 0.423 115 L N 7.306 128.723 121.223 0.324 0.000 2.307 115 L HA 0.506 4.846 4.340 -0.000 0.000 0.282 115 L C -1.191 175.821 176.870 0.237 0.000 1.051 115 L CA 0.227 55.184 54.840 0.196 0.000 0.804 115 L CB 1.123 43.279 42.059 0.160 0.000 1.197 115 L HN 0.362 nan 8.230 nan 0.000 0.431 116 F N 2.839 123.058 119.950 0.448 0.000 2.402 116 F HA 0.349 4.876 4.527 -0.000 0.000 0.355 116 F C 0.431 176.455 175.800 0.373 0.000 1.123 116 F CA -0.791 57.478 58.000 0.448 0.000 1.021 116 F CB 1.399 40.671 39.000 0.453 0.000 1.160 116 F HN 0.439 nan 8.300 nan 0.000 0.451 117 E N 5.084 125.560 120.200 0.459 0.000 2.227 117 E HA 0.338 4.688 4.350 -0.000 0.000 0.282 117 E C -1.509 175.115 176.600 0.039 0.000 1.015 117 E CA -0.456 55.955 56.400 0.019 0.000 0.823 117 E CB 1.078 30.829 29.700 0.084 0.000 1.081 117 E HN 0.587 nan 8.360 nan 0.000 0.396 118 Y N 1.646 121.699 120.300 -0.411 0.000 2.728 118 Y HA 0.419 4.969 4.550 -0.000 0.000 0.330 118 Y C -0.260 175.472 175.900 -0.281 0.000 1.234 118 Y CA -1.664 56.220 58.100 -0.359 0.000 1.070 118 Y CB 0.292 38.302 38.460 -0.751 0.000 1.300 118 Y HN 0.545 nan 8.280 nan 0.000 0.467 119 N N -0.666 117.942 118.700 -0.153 0.000 2.735 119 N HA -0.302 4.438 4.740 -0.000 0.000 0.248 119 N C -0.945 174.499 175.510 -0.111 0.000 1.083 119 N CA 1.013 53.968 53.050 -0.158 0.000 0.703 119 N CB -1.818 36.476 38.487 -0.322 0.000 1.005 119 N HN 0.857 nan 8.380 nan 0.000 0.550 120 Y N 0.093 120.293 120.300 -0.166 0.000 2.717 120 Y HA 0.246 4.795 4.550 -0.000 0.000 0.330 120 Y C 0.062 175.911 175.900 -0.086 0.000 1.217 120 Y CA 0.110 58.128 58.100 -0.137 0.000 1.506 120 Y CB 0.665 38.999 38.460 -0.210 0.000 1.268 120 Y HN -0.013 nan 8.280 nan 0.000 0.561 121 V N 8.156 127.697 119.914 -0.621 0.000 2.462 121 V HA 0.172 4.292 4.120 -0.000 0.000 0.288 121 V C -0.361 175.330 176.094 -0.672 0.000 1.020 121 V CA -1.378 60.627 62.300 -0.493 0.000 0.857 121 V CB 1.266 32.940 31.823 -0.249 0.000 1.013 121 V HN 0.769 nan 8.190 nan 0.000 0.431 122 K N 3.840 123.830 120.400 -0.684 0.000 2.448 122 K HA 0.175 4.495 4.320 -0.000 0.000 0.278 122 K C 0.467 176.880 176.600 -0.312 0.000 1.009 122 K CA 0.366 56.403 56.287 -0.416 0.000 0.995 122 K CB 1.142 33.588 32.500 -0.091 0.000 0.917 122 K HN 0.807 nan 8.250 nan 0.000 0.481 123 Q N 3.240 122.835 119.800 -0.342 0.000 2.729 123 Q HA 0.175 4.515 4.340 -0.000 0.000 0.228 123 Q C -0.043 175.674 176.000 -0.472 0.000 1.021 123 Q CA -0.403 54.999 55.803 -0.670 0.000 0.561 123 Q CB 0.088 28.264 28.738 -0.936 0.000 3.921 123 Q HN 0.742 nan 8.270 nan 0.000 0.430 124 W N 0.160 121.430 121.300 -0.050 0.000 1.836 124 W HA 0.397 5.057 4.660 -0.001 0.000 0.628 124 W C 1.864 178.348 176.519 -0.058 0.000 1.626 124 W CA -0.739 56.605 57.345 -0.002 0.000 1.714 124 W CB -0.162 29.267 29.460 -0.051 0.000 3.166 124 W HN 0.257 nan 8.180 nan 0.000 0.772 125 R N -0.572 119.996 120.500 0.114 0.000 2.096 125 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 125 R C 1.666 177.783 176.300 -0.306 0.000 1.127 125 R CA 1.679 57.672 56.100 -0.179 0.000 0.968 125 R CB -0.321 29.721 30.300 -0.430 0.000 0.861 125 R HN 0.505 nan 8.270 nan 0.000 0.440 126 H N -1.546 117.593 119.070 0.115 0.000 2.800 126 H HA 0.148 4.704 4.556 -0.000 0.000 0.257 126 H C 0.657 176.095 175.328 0.183 0.000 0.967 126 H CA 0.434 56.586 56.048 0.172 0.000 1.192 126 H CB 0.133 29.982 29.762 0.145 0.000 1.441 126 H HN 0.110 nan 8.280 nan 0.000 0.461 127 S N 1.456 117.139 115.700 -0.029 0.000 2.579 127 S HA 0.347 4.817 4.470 -0.000 0.000 0.275 127 S C -0.259 174.198 174.600 -0.239 0.000 1.345 127 S CA -0.394 57.460 58.200 -0.577 0.000 1.031 127 S CB 0.524 62.845 63.200 -1.465 0.000 0.892 127 S HN 0.468 nan 8.310 nan 0.000 0.529 128 Y N -2.426 117.699 120.300 -0.291 0.000 2.765 128 Y HA 0.610 5.160 4.550 -0.000 0.000 0.350 128 Y C -0.761 175.083 175.900 -0.092 0.000 1.196 128 Y CA -0.868 57.062 58.100 -0.285 0.000 1.119 128 Y CB 0.360 38.600 38.460 -0.366 0.000 1.368 128 Y HN 0.901 nan 8.280 nan 0.000 0.463 129 T N -0.040 114.524 114.554 0.017 0.000 2.940 129 T HA 1.033 5.382 4.350 -0.000 0.000 0.288 129 T C -0.392 174.366 174.700 0.096 0.000 1.045 129 T CA -0.184 61.947 62.100 0.051 0.000 1.018 129 T CB 1.804 70.665 68.868 -0.011 0.000 1.151 129 T HN 1.973 nan 8.240 nan 0.000 0.529 130 A N 0.555 123.399 122.820 0.040 0.000 2.540 130 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 130 A C -0.674 176.662 177.584 -0.413 0.000 1.083 130 A CA -0.960 50.953 52.037 -0.207 0.000 0.650 130 A CB 0.907 19.760 19.000 -0.246 0.000 1.292 130 A HN 0.859 nan 8.150 nan 0.000 0.435 131 S N -0.810 114.400 115.700 -0.817 0.000 2.593 131 S HA 0.827 5.296 4.470 -0.000 0.000 0.297 131 S C -1.575 172.389 174.600 -1.061 0.000 1.112 131 S CA -0.080 57.569 58.200 -0.919 0.000 1.043 131 S CB 0.753 63.060 63.200 -1.488 0.000 1.054 131 S HN 0.459 nan 8.310 nan 0.000 0.516 132 Y N 0.169 120.309 120.300 -0.267 0.000 2.504 132 Y HA 0.426 4.975 4.550 -0.000 0.000 0.344 132 Y C -0.484 175.518 175.900 0.171 0.000 1.023 132 Y CA -0.948 57.157 58.100 0.007 0.000 1.020 132 Y CB 1.705 40.093 38.460 -0.121 0.000 1.282 132 Y HN 0.476 nan 8.280 nan 0.000 0.454 133 D N 2.667 123.346 120.400 0.465 0.000 2.350 133 D HA 0.524 5.164 4.640 -0.000 0.000 0.245 133 D C -0.822 175.628 176.300 0.250 0.000 1.036 133 D CA -0.296 53.933 54.000 0.381 0.000 0.848 133 D CB 2.309 43.424 40.800 0.525 0.000 1.307 133 D HN 0.408 nan 8.370 nan 0.000 0.469 134 I N 2.431 123.102 120.570 0.169 0.000 2.339 134 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 134 I C -0.799 175.445 176.117 0.212 0.000 0.994 134 I CA -0.924 60.458 61.300 0.136 0.000 1.191 134 I CB 1.093 39.119 38.000 0.043 0.000 1.343 134 I HN 0.227 nan 8.210 nan 0.000 0.458 135 Y N 5.994 126.307 120.300 0.023 0.000 2.331 135 Y HA 0.250 4.800 4.550 -0.000 0.000 0.338 135 Y C 0.040 176.031 175.900 0.152 0.000 0.992 135 Y CA -0.670 57.455 58.100 0.041 0.000 1.121 135 Y CB 1.053 39.413 38.460 -0.167 0.000 1.184 135 Y HN 0.477 nan 8.280 nan 0.000 0.469 136 D N 6.735 126.914 120.400 -0.368 0.000 2.374 136 D HA 0.057 4.697 4.640 -0.000 0.000 0.240 136 D C 0.841 176.732 176.300 -0.682 0.000 1.229 136 D CA 0.379 54.126 54.000 -0.421 0.000 0.895 136 D CB 0.759 41.389 40.800 -0.283 0.000 1.046 136 D HN 0.882 nan 8.370 nan 0.000 0.498 137 L N 3.550 124.472 121.223 -0.501 0.000 2.191 137 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 137 L C 2.078 178.737 176.870 -0.353 0.000 1.103 137 L CA 0.521 55.163 54.840 -0.330 0.000 0.769 137 L CB -0.218 41.676 42.059 -0.275 0.000 0.908 137 L HN 0.365 nan 8.230 nan 0.000 0.438 138 N N 1.092 119.545 118.700 -0.411 0.000 2.083 138 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 138 N C 1.554 176.914 175.510 -0.250 0.000 1.047 138 N CA 1.418 54.284 53.050 -0.307 0.000 0.845 138 N CB -0.219 38.084 38.487 -0.306 0.000 1.025 138 N HN 0.437 nan 8.380 nan 0.000 0.428 139 K N 1.331 121.573 120.400 -0.262 0.000 2.505 139 K HA 0.161 4.480 4.320 -0.000 0.000 0.192 139 K C -0.280 176.186 176.600 -0.223 0.000 1.025 139 K CA -0.049 56.118 56.287 -0.200 0.000 1.086 139 K CB 0.112 32.517 32.500 -0.159 0.000 0.840 139 K HN 0.023 nan 8.250 nan 0.000 0.514 140 R N 1.590 121.896 120.500 -0.324 0.000 3.225 140 R HA -0.205 4.134 4.340 -0.000 0.000 0.245 140 R C -1.038 175.067 176.300 -0.325 0.000 0.928 140 R CA 0.919 56.815 56.100 -0.341 0.000 0.632 140 R CB -1.992 28.270 30.300 -0.063 0.000 1.038 140 R HN 0.620 nan 8.270 nan 0.000 0.461 141 Q N 0.039 119.537 119.800 -0.503 0.000 2.423 141 Q HA 0.541 4.880 4.340 -0.000 0.000 0.278 141 Q C -0.437 175.434 176.000 -0.215 0.000 1.097 141 Q CA -1.091 54.581 55.803 -0.218 0.000 0.809 141 Q CB 2.067 30.734 28.738 -0.118 0.000 1.391 141 Q HN 0.157 nan 8.270 nan 0.000 0.428 142 L N 2.298 123.565 121.223 0.073 0.000 2.313 142 L HA 0.324 4.664 4.340 -0.000 0.000 0.282 142 L C -0.359 176.570 176.870 0.098 0.000 1.092 142 L CA -0.380 54.578 54.840 0.197 0.000 0.831 142 L CB 0.487 42.697 42.059 0.252 0.000 1.159 142 L HN 0.520 nan 8.230 nan 0.000 0.442 143 I N 3.281 123.909 120.570 0.096 0.000 2.683 143 I HA -0.080 4.090 4.170 -0.000 0.000 0.286 143 I C 1.322 177.478 176.117 0.066 0.000 1.175 143 I CA 0.490 61.828 61.300 0.064 0.000 1.429 143 I CB 1.086 39.120 38.000 0.056 0.000 1.371 143 I HN 0.707 nan 8.210 nan 0.000 0.569 144 T N 1.355 115.936 114.554 0.044 0.000 3.010 144 T HA 0.216 4.566 4.350 -0.000 0.000 0.257 144 T C 0.343 175.055 174.700 0.020 0.000 1.020 144 T CA -0.435 61.690 62.100 0.042 0.000 0.938 144 T CB 0.081 68.973 68.868 0.040 0.000 1.049 144 T HN 0.572 nan 8.240 nan 0.000 0.522 145 E N 1.726 121.931 120.200 0.008 0.000 2.212 145 E HA 0.375 4.724 4.350 -0.000 0.000 0.270 145 E C -0.646 175.941 176.600 -0.021 0.000 0.956 145 E CA -0.950 55.447 56.400 -0.006 0.000 0.825 145 E CB 0.869 30.567 29.700 -0.003 0.000 1.167 145 E HN 0.060 nan 8.360 nan 0.000 0.400 146 E N 0.934 121.113 120.200 -0.034 0.000 2.252 146 E HA -0.216 4.134 4.350 -0.000 0.000 0.218 146 E C -0.606 175.948 176.600 -0.076 0.000 1.253 146 E CA 0.711 57.079 56.400 -0.054 0.000 0.705 146 E CB -1.369 28.309 29.700 -0.036 0.000 1.172 146 E HN 0.503 nan 8.360 nan 0.000 0.369 147 R N -0.245 120.206 120.500 -0.082 0.000 2.679 147 R HA 0.367 4.707 4.340 -0.000 0.000 0.269 147 R C 1.177 177.359 176.300 -0.198 0.000 1.076 147 R CA -0.438 55.605 56.100 -0.094 0.000 1.160 147 R CB 0.524 30.795 30.300 -0.048 0.000 1.054 147 R HN 0.140 nan 8.270 nan 0.000 0.507 148 I N 3.364 123.788 120.570 -0.243 0.000 2.634 148 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 148 I C -1.742 174.121 176.117 -0.423 0.000 1.124 148 I CA -1.593 59.420 61.300 -0.479 0.000 1.417 148 I CB 0.647 38.358 38.000 -0.482 0.000 1.396 148 I HN 0.351 nan 8.210 nan 0.000 0.571 149 P HA 0.115 nan 4.420 nan 0.000 0.272 149 P C -0.985 176.154 177.300 -0.269 0.000 1.240 149 P CA -0.445 62.335 63.100 -0.534 0.000 0.791 149 P CB 0.402 31.427 31.700 -1.123 0.000 0.978 150 N N 1.764 120.388 118.700 -0.126 0.000 2.467 150 N HA 0.087 4.827 4.740 -0.000 0.000 0.262 150 N C 0.276 175.877 175.510 0.152 0.000 1.234 150 N CA 0.101 53.127 53.050 -0.039 0.000 0.952 150 N CB -0.345 38.124 38.487 -0.030 0.000 1.158 150 N HN 0.397 nan 8.380 nan 0.000 0.463 151 N N -0.988 117.765 118.700 0.088 0.000 2.776 151 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 151 N C -0.905 174.762 175.510 0.262 0.000 1.111 151 N CA 0.673 53.804 53.050 0.135 0.000 0.711 151 N CB -1.694 36.871 38.487 0.131 0.000 1.065 151 N HN 0.463 nan 8.380 nan 0.000 0.556 152 T N 0.872 115.584 114.554 0.262 0.000 2.814 152 T HA 0.135 4.485 4.350 -0.000 0.000 0.297 152 T C 1.701 176.553 174.700 0.254 0.000 0.956 152 T CA 0.018 62.303 62.100 0.308 0.000 1.123 152 T CB 1.193 70.168 68.868 0.177 0.000 0.902 152 T HN 0.156 nan 8.240 nan 0.000 0.528 153 Q N 2.092 122.036 119.800 0.240 0.000 2.269 153 Q HA 0.130 4.470 4.340 -0.000 0.000 0.201 153 Q C 0.205 176.371 176.000 0.277 0.000 0.946 153 Q CA 0.482 56.437 55.803 0.253 0.000 0.877 153 Q CB 0.700 29.580 28.738 0.238 0.000 0.963 153 Q HN 0.703 nan 8.270 nan 0.000 0.472 154 W N -0.265 121.017 121.300 -0.029 0.000 3.464 154 W HA 0.540 5.200 4.660 -0.001 0.000 0.292 154 W C -2.378 174.074 176.519 -0.113 0.000 1.262 154 W CA -0.746 56.534 57.345 -0.109 0.000 1.202 154 W CB 1.025 30.359 29.460 -0.211 0.000 1.334 154 W HN -0.084 nan 8.180 nan 0.000 0.561 155 I N 3.998 123.829 120.570 -1.231 0.000 2.841 155 I HA 0.638 4.808 4.170 -0.000 0.000 0.298 155 I C -1.626 173.895 176.117 -0.993 0.000 1.304 155 I CA -0.059 60.713 61.300 -0.880 0.000 1.019 155 I CB 2.558 39.997 38.000 -0.935 0.000 1.282 155 I HN 0.375 nan 8.210 nan 0.000 0.432 156 T N 4.368 118.646 114.554 -0.460 0.000 3.047 156 T HA 0.401 4.750 4.350 -0.000 0.000 0.340 156 T C -1.666 173.041 174.700 0.011 0.000 1.421 156 T CA -0.310 61.674 62.100 -0.193 0.000 1.090 156 T CB 0.556 69.523 68.868 0.166 0.000 1.292 156 T HN 0.540 nan 8.240 nan 0.000 0.480 157 W N 2.896 124.239 121.300 0.072 0.000 2.093 157 W HA 0.471 5.131 4.660 -0.000 0.000 0.352 157 W C 1.287 177.717 176.519 -0.148 0.000 1.294 157 W CA -0.478 56.868 57.345 0.001 0.000 1.290 157 W CB 0.559 30.018 29.460 -0.001 0.000 1.149 157 W HN 0.799 nan 8.180 nan 0.000 0.606 158 S N 0.780 116.308 115.700 -0.287 0.000 2.624 158 S HA 0.200 4.670 4.470 -0.000 0.000 0.263 158 S C -1.904 172.486 174.600 -0.350 0.000 1.287 158 S CA -1.024 56.498 58.200 -1.130 0.000 0.990 158 S CB 0.818 63.124 63.200 -1.489 0.000 0.950 158 S HN 0.267 nan 8.310 nan 0.000 0.561 159 P HA 0.072 nan 4.420 nan 0.000 0.226 159 P C 0.073 177.332 177.300 -0.068 0.000 1.153 159 P CA 0.575 63.648 63.100 -0.045 0.000 0.777 159 P CB -0.176 31.534 31.700 0.017 0.000 0.794 160 V N -6.542 113.283 119.914 -0.150 0.000 3.007 160 V HA 0.887 5.006 4.120 -0.000 0.000 0.311 160 V C 0.404 176.389 176.094 -0.181 0.000 1.120 160 V CA -0.339 61.887 62.300 -0.124 0.000 0.980 160 V CB 1.131 32.892 31.823 -0.102 0.000 1.033 160 V HN 0.372 nan 8.190 nan 0.000 0.429 161 G N 2.515 111.225 108.800 -0.150 0.000 2.509 161 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.259 161 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.259 161 G C 0.157 174.956 174.900 -0.167 0.000 1.169 161 G CA 0.756 45.728 45.100 -0.212 0.000 0.953 161 G HN 2.589 nan 8.290 nan 0.000 0.563 162 H N -0.520 118.520 119.070 -0.049 0.000 3.237 162 H HA 0.448 5.004 4.556 -0.000 0.000 0.224 162 H C 0.042 175.514 175.328 0.240 0.000 1.370 162 H CA -0.234 55.837 56.048 0.039 0.000 1.112 162 H CB -0.319 29.468 29.762 0.042 0.000 2.482 162 H HN 0.529 nan 8.280 nan 0.000 0.561 163 K N 1.555 121.996 120.400 0.069 0.000 2.098 163 K HA 0.591 4.910 4.320 -0.000 0.000 0.257 163 K C -0.405 176.300 176.600 0.176 0.000 0.999 163 K CA -0.632 55.683 56.287 0.046 0.000 0.924 163 K CB 1.931 34.289 32.500 -0.236 0.000 1.028 163 K HN 0.133 nan 8.250 nan 0.000 0.466 164 L N 0.877 122.216 121.223 0.193 0.000 2.388 164 L HA 0.624 4.964 4.340 -0.000 0.000 0.264 164 L C -0.974 176.088 176.870 0.321 0.000 0.998 164 L CA -0.909 54.013 54.840 0.136 0.000 0.817 164 L CB 2.180 44.160 42.059 -0.132 0.000 1.338 164 L HN 0.700 nan 8.230 nan 0.000 0.414 165 A N 2.166 125.171 122.820 0.308 0.000 2.393 165 A HA 0.850 5.169 4.320 -0.000 0.000 0.306 165 A C -1.633 175.979 177.584 0.046 0.000 1.050 165 A CA -0.387 51.709 52.037 0.099 0.000 0.724 165 A CB 1.281 20.236 19.000 -0.076 0.000 1.248 165 A HN 0.653 nan 8.150 nan 0.000 0.424 166 Y N -0.648 119.620 120.300 -0.053 0.000 2.625 166 Y HA 0.772 5.322 4.550 -0.000 0.000 0.338 166 Y C -1.247 174.680 175.900 0.044 0.000 1.123 166 Y CA -1.636 56.421 58.100 -0.072 0.000 1.046 166 Y CB 0.994 39.346 38.460 -0.179 0.000 1.299 166 Y HN 0.424 nan 8.280 nan 0.000 0.464 167 V N 1.860 121.953 119.914 0.297 0.000 2.495 167 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 167 V C -1.431 174.925 176.094 0.436 0.000 1.031 167 V CA -0.618 61.828 62.300 0.243 0.000 0.871 167 V CB 1.403 33.279 31.823 0.089 0.000 0.988 167 V HN 0.881 nan 8.190 nan 0.000 0.432 168 W N 4.417 125.847 121.300 0.217 0.000 3.259 168 W HA 0.440 5.100 4.660 -0.001 0.000 0.331 168 W C 0.249 176.842 176.519 0.124 0.000 1.144 168 W CA -0.678 56.762 57.345 0.157 0.000 1.227 168 W CB 1.278 30.815 29.460 0.129 0.000 1.371 168 W HN 0.767 nan 8.180 nan 0.000 0.491 169 N N 5.270 123.594 118.700 -0.626 0.000 2.727 169 N HA -0.355 4.385 4.740 -0.000 0.000 0.249 169 N C 0.161 175.526 175.510 -0.241 0.000 1.048 169 N CA 1.180 53.882 53.050 -0.579 0.000 0.714 169 N CB -1.029 36.928 38.487 -0.884 0.000 0.959 169 N HN 0.863 nan 8.380 nan 0.000 0.544 170 N N -1.603 117.014 118.700 -0.138 0.000 2.778 170 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 170 N C -1.300 174.147 175.510 -0.105 0.000 1.069 170 N CA 1.065 54.054 53.050 -0.102 0.000 0.831 170 N CB -0.296 38.075 38.487 -0.192 0.000 1.142 170 N HN 0.430 nan 8.380 nan 0.000 0.573 171 D N 0.312 120.665 120.400 -0.078 0.000 2.433 171 D HA 0.491 5.131 4.640 -0.000 0.000 0.236 171 D C 0.088 176.233 176.300 -0.258 0.000 1.026 171 D CA -0.381 53.484 54.000 -0.225 0.000 0.884 171 D CB 1.649 42.280 40.800 -0.281 0.000 1.384 171 D HN 0.013 nan 8.370 nan 0.000 0.477 172 I N 1.428 121.654 120.570 -0.574 0.000 2.428 172 I HA 0.266 4.436 4.170 -0.000 0.000 0.296 172 I C -0.760 174.824 176.117 -0.889 0.000 0.985 172 I CA -0.505 60.440 61.300 -0.591 0.000 1.260 172 I CB 0.685 38.266 38.000 -0.697 0.000 1.389 172 I HN 0.160 nan 8.210 nan 0.000 0.484 173 Y N 3.916 123.810 120.300 -0.676 0.000 2.477 173 Y HA 0.571 5.121 4.550 -0.000 0.000 0.347 173 Y C -0.436 175.065 175.900 -0.665 0.000 0.981 173 Y CA -0.908 56.729 58.100 -0.771 0.000 1.033 173 Y CB 2.079 39.836 38.460 -1.173 0.000 1.245 173 Y HN 0.102 nan 8.280 nan 0.000 0.455 174 V N 3.486 123.253 119.914 -0.244 0.000 2.448 174 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 174 V C -0.732 175.376 176.094 0.024 0.000 1.025 174 V CA -1.296 60.960 62.300 -0.073 0.000 0.859 174 V CB 1.746 33.556 31.823 -0.022 0.000 0.988 174 V HN 0.618 nan 8.190 nan 0.000 0.431 175 K N 3.559 124.015 120.400 0.094 0.000 2.367 175 K HA 0.424 4.744 4.320 -0.000 0.000 0.263 175 K C 0.612 177.275 176.600 0.105 0.000 1.000 175 K CA -0.247 56.097 56.287 0.094 0.000 0.891 175 K CB 1.252 33.808 32.500 0.094 0.000 1.117 175 K HN 0.624 nan 8.250 nan 0.000 0.443 176 N N 1.405 120.159 118.700 0.089 0.000 2.331 176 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 176 N C -0.292 175.284 175.510 0.111 0.000 1.019 176 N CA 0.794 53.895 53.050 0.085 0.000 0.881 176 N CB 0.382 38.907 38.487 0.063 0.000 0.972 176 N HN 0.422 nan 8.380 nan 0.000 0.435 177 E N -0.915 119.335 120.200 0.084 0.000 2.293 177 E HA 0.205 4.555 4.350 -0.000 0.000 0.270 177 E C -1.944 174.622 176.600 -0.057 0.000 0.879 177 E CA -2.004 54.431 56.400 0.059 0.000 0.756 177 E CB 1.878 31.613 29.700 0.058 0.000 1.208 177 E HN -0.176 nan 8.360 nan 0.000 0.428 178 P HA -0.157 nan 4.420 nan 0.000 0.216 178 P C 0.808 178.023 177.300 -0.141 0.000 1.153 178 P CA 1.341 64.271 63.100 -0.283 0.000 0.858 178 P CB 0.293 31.589 31.700 -0.674 0.000 0.789 179 N N -1.238 117.403 118.700 -0.098 0.000 2.383 179 N HA -0.013 4.727 4.740 -0.000 0.000 0.192 179 N C 0.072 175.572 175.510 -0.017 0.000 1.141 179 N CA 0.542 53.570 53.050 -0.037 0.000 0.851 179 N CB -0.149 38.334 38.487 -0.007 0.000 0.976 179 N HN 0.096 nan 8.380 nan 0.000 0.465 180 L N 0.707 121.921 121.223 -0.014 0.000 2.313 180 L HA 0.381 4.720 4.340 -0.000 0.000 0.268 180 L C 0.383 177.256 176.870 0.005 0.000 1.010 180 L CA -0.640 54.202 54.840 0.004 0.000 0.814 180 L CB 1.562 43.633 42.059 0.020 0.000 1.304 180 L HN -0.060 nan 8.230 nan 0.000 0.441 181 S N 0.684 116.391 115.700 0.011 0.000 2.558 181 S HA 0.110 4.580 4.470 -0.000 0.000 0.288 181 S C 0.391 175.011 174.600 0.033 0.000 1.318 181 S CA -0.344 57.864 58.200 0.014 0.000 1.056 181 S CB 0.455 63.666 63.200 0.019 0.000 0.853 181 S HN 0.667 nan 8.310 nan 0.000 0.505 182 S N 2.191 117.917 115.700 0.043 0.000 2.601 182 S HA 0.410 4.880 4.470 -0.000 0.000 0.271 182 S C -0.501 174.144 174.600 0.074 0.000 1.305 182 S CA -0.766 57.477 58.200 0.070 0.000 1.022 182 S CB 1.005 64.274 63.200 0.115 0.000 0.940 182 S HN 0.648 nan 8.310 nan 0.000 0.525 183 Q N 1.453 121.277 119.800 0.040 0.000 2.333 183 Q HA 0.380 4.720 4.340 -0.000 0.000 0.265 183 Q C -0.459 175.470 176.000 -0.118 0.000 0.989 183 Q CA -0.540 55.268 55.803 0.008 0.000 0.842 183 Q CB 1.228 29.969 28.738 0.006 0.000 1.262 183 Q HN 0.770 nan 8.270 nan 0.000 0.451 184 R N 4.399 124.784 120.500 -0.191 0.000 2.489 184 R HA 0.085 4.425 4.340 -0.000 0.000 0.287 184 R C 0.092 175.902 176.300 -0.817 0.000 1.053 184 R CA 0.046 55.716 56.100 -0.716 0.000 1.036 184 R CB 0.380 30.260 30.300 -0.701 0.000 0.966 184 R HN 0.808 nan 8.270 nan 0.000 0.432 185 I N 2.157 122.135 120.570 -0.986 0.000 3.172 185 I HA 0.002 4.172 4.170 -0.000 0.000 0.278 185 I C 0.959 176.574 176.117 -0.838 0.000 1.174 185 I CA 0.923 61.779 61.300 -0.740 0.000 1.445 185 I CB -0.444 37.185 38.000 -0.619 0.000 1.175 185 I HN 0.701 nan 8.210 nan 0.000 0.447 186 T N -3.884 110.045 114.554 -1.041 0.000 2.916 186 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 186 T C -0.014 174.203 174.700 -0.805 0.000 1.055 186 T CA -0.522 61.166 62.100 -0.688 0.000 1.009 186 T CB 2.254 70.801 68.868 -0.535 0.000 1.118 186 T HN 0.211 nan 8.240 nan 0.000 0.497 187 W N 0.328 121.518 121.300 -0.182 0.000 2.555 187 W HA 0.106 4.766 4.660 0.000 0.000 0.324 187 W C 1.685 178.153 176.519 -0.084 0.000 0.973 187 W CA 0.210 57.484 57.345 -0.118 0.000 1.481 187 W CB 0.306 29.714 29.460 -0.087 0.000 1.064 187 W HN 0.936 nan 8.180 nan 0.000 0.543 188 T N -1.869 112.733 114.554 0.080 0.000 3.113 188 T HA 0.136 4.486 4.350 -0.000 0.000 0.256 188 T C 1.301 175.996 174.700 -0.008 0.000 1.131 188 T CA 0.366 62.495 62.100 0.049 0.000 1.074 188 T CB -0.186 68.715 68.868 0.056 0.000 0.944 188 T HN -0.028 nan 8.240 nan 0.000 0.516 189 G N 1.431 110.195 108.800 -0.061 0.000 2.178 189 G HA2 0.280 4.240 3.960 -0.000 0.000 0.244 189 G HA3 0.280 4.240 3.960 -0.000 0.000 0.244 189 G C -0.529 174.307 174.900 -0.107 0.000 1.213 189 G CA -0.311 44.727 45.100 -0.102 0.000 0.912 189 G HN 0.613 nan 8.290 nan 0.000 0.474 190 K N 2.130 122.438 120.400 -0.153 0.000 2.588 190 K HA 0.205 4.525 4.320 -0.000 0.000 0.250 190 K C -0.109 176.354 176.600 -0.228 0.000 0.972 190 K CA -0.704 55.494 56.287 -0.147 0.000 0.821 190 K CB 1.540 33.990 32.500 -0.083 0.000 1.249 190 K HN 0.600 nan 8.250 nan 0.000 0.442 191 E N 3.478 123.559 120.200 -0.198 0.000 2.608 191 E HA -0.180 4.170 4.350 -0.000 0.000 0.259 191 E C -0.336 176.172 176.600 -0.153 0.000 0.951 191 E CA 1.159 57.441 56.400 -0.196 0.000 0.945 191 E CB 0.067 29.689 29.700 -0.129 0.000 0.916 191 E HN 0.816 nan 8.360 nan 0.000 0.477 192 N N 1.513 120.123 118.700 -0.150 0.000 2.815 192 N HA -0.274 4.465 4.740 -0.000 0.000 0.247 192 N C 0.218 175.760 175.510 0.053 0.000 1.030 192 N CA 0.583 53.660 53.050 0.046 0.000 0.881 192 N CB -0.394 38.136 38.487 0.071 0.000 1.134 192 N HN 0.292 nan 8.380 nan 0.000 0.582 193 V N -0.850 118.995 119.914 -0.115 0.000 3.161 193 V HA 0.279 4.398 4.120 -0.000 0.000 0.221 193 V C 0.239 176.366 176.094 0.054 0.000 1.296 193 V CA 0.469 62.779 62.300 0.017 0.000 1.306 193 V CB 0.708 32.530 31.823 -0.000 0.000 1.171 193 V HN 0.083 nan 8.190 nan 0.000 0.513 194 I N 0.879 121.386 120.570 -0.105 0.000 2.436 194 I HA 0.476 4.646 4.170 -0.000 0.000 0.289 194 I C -1.545 174.503 176.117 -0.116 0.000 1.010 194 I CA -0.647 60.664 61.300 0.019 0.000 1.098 194 I CB 1.267 39.280 38.000 0.022 0.000 1.266 194 I HN 0.214 nan 8.210 nan 0.000 0.434 195 Y N 4.556 124.938 120.300 0.136 0.000 2.328 195 Y HA 0.426 4.976 4.550 -0.000 0.000 0.336 195 Y C 0.305 176.270 175.900 0.109 0.000 0.960 195 Y CA -0.807 57.376 58.100 0.138 0.000 1.134 195 Y CB 1.325 39.930 38.460 0.242 0.000 1.166 195 Y HN 0.407 nan 8.280 nan 0.000 0.464 196 N N 1.969 120.742 118.700 0.121 0.000 2.417 196 N HA 0.400 5.140 4.740 -0.000 0.000 0.274 196 N C 0.782 176.250 175.510 -0.069 0.000 0.987 196 N CA 0.403 53.464 53.050 0.018 0.000 0.912 196 N CB 1.955 40.330 38.487 -0.186 0.000 1.177 196 N HN 0.972 nan 8.380 nan 0.000 0.490 197 G N 0.418 109.206 108.800 -0.020 0.000 2.225 197 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 197 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 197 G C -0.006 174.766 174.900 -0.213 0.000 0.988 197 G CA 0.650 45.663 45.100 -0.145 0.000 0.625 197 G HN 0.730 nan 8.290 nan 0.000 0.527 198 V N -1.789 118.053 119.914 -0.119 0.000 3.078 198 V HA 0.931 5.051 4.120 -0.000 0.000 0.311 198 V C 0.342 176.423 176.094 -0.021 0.000 1.138 198 V CA 0.051 62.145 62.300 -0.343 0.000 1.007 198 V CB 1.434 32.744 31.823 -0.855 0.000 1.045 198 V HN 1.161 nan 8.190 nan 0.000 0.432 199 T N 0.047 114.489 114.554 -0.187 0.000 2.849 199 T HA 0.475 4.825 4.350 -0.000 0.000 0.284 199 T C -0.095 174.293 174.700 -0.519 0.000 1.004 199 T CA -0.076 61.689 62.100 -0.558 0.000 1.021 199 T CB 1.023 69.579 68.868 -0.521 0.000 1.013 199 T HN 1.112 nan 8.240 nan 0.000 0.527 200 D N -0.109 119.768 120.400 -0.872 0.000 2.478 200 D HA 0.033 4.672 4.640 -0.000 0.000 0.274 200 D C 0.952 177.072 176.300 -0.300 0.000 1.234 200 D CA -1.085 52.417 54.000 -0.830 0.000 1.069 200 D CB 0.089 40.482 40.800 -0.678 0.000 1.113 200 D HN 0.696 nan 8.370 nan 0.000 0.571 201 W N 0.075 121.246 121.300 -0.215 0.000 2.333 201 W HA -0.207 4.452 4.660 -0.001 0.000 0.316 201 W C 2.157 178.530 176.519 -0.243 0.000 1.215 201 W CA 2.298 59.537 57.345 -0.176 0.000 1.278 201 W CB -0.447 28.864 29.460 -0.248 0.000 1.154 201 W HN 0.187 nan 8.180 nan 0.000 0.486 202 V N -0.194 119.710 119.914 -0.018 0.000 2.548 202 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 202 V C 1.859 177.704 176.094 -0.415 0.000 1.055 202 V CA 1.904 64.079 62.300 -0.208 0.000 1.065 202 V CB -0.723 31.020 31.823 -0.132 0.000 0.681 202 V HN 0.285 nan 8.190 nan 0.000 0.462 203 Y N 0.764 120.758 120.300 -0.511 0.000 2.242 203 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 203 Y C 2.568 178.143 175.900 -0.542 0.000 1.137 203 Y CA 2.164 59.873 58.100 -0.650 0.000 1.181 203 Y CB -0.122 37.685 38.460 -1.088 0.000 0.989 203 Y HN 0.401 nan 8.280 nan 0.000 0.527 204 E N 0.354 120.359 120.200 -0.325 0.000 2.038 204 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 204 E C 2.034 178.535 176.600 -0.165 0.000 1.000 204 E CA 1.690 57.983 56.400 -0.178 0.000 0.803 204 E CB -0.060 29.556 29.700 -0.140 0.000 0.750 204 E HN 0.384 nan 8.360 nan 0.000 0.448 205 E N 0.042 119.957 120.200 -0.475 0.000 2.112 205 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 205 E C 1.501 177.965 176.600 -0.228 0.000 0.979 205 E CA 1.406 57.536 56.400 -0.450 0.000 0.814 205 E CB 0.223 29.289 29.700 -1.057 0.000 0.762 205 E HN 0.267 nan 8.360 nan 0.000 0.460 206 E N -0.981 119.064 120.200 -0.260 0.000 2.465 206 E HA 0.114 4.464 4.350 -0.000 0.000 0.209 206 E C 1.571 178.087 176.600 -0.140 0.000 0.951 206 E CA 0.318 56.634 56.400 -0.140 0.000 0.997 206 E CB 1.102 30.711 29.700 -0.152 0.000 1.025 206 E HN 0.178 nan 8.360 nan 0.000 0.500 207 V N 0.003 119.799 119.914 -0.197 0.000 2.735 207 V HA 0.039 4.159 4.120 -0.000 0.000 0.234 207 V C 1.603 177.855 176.094 0.263 0.000 1.121 207 V CA 0.633 62.879 62.300 -0.091 0.000 1.160 207 V CB -0.210 31.389 31.823 -0.373 0.000 0.908 207 V HN 0.037 nan 8.190 nan 0.000 0.495 208 F N 0.724 120.679 119.950 0.009 0.000 2.569 208 F HA 0.284 4.811 4.527 -0.000 0.000 0.295 208 F C 1.682 177.451 175.800 -0.051 0.000 1.115 208 F CA 0.154 58.171 58.000 0.029 0.000 1.450 208 F CB -0.912 38.123 39.000 0.060 0.000 1.107 208 F HN 0.190 nan 8.300 nan 0.000 0.563 209 S N 0.047 115.807 115.700 0.100 0.000 3.641 209 S HA 0.031 4.501 4.470 -0.000 0.000 0.346 209 S C 0.128 174.416 174.600 -0.519 0.000 1.074 209 S CA 0.481 58.636 58.200 -0.074 0.000 1.026 209 S CB -1.731 61.459 63.200 -0.017 0.000 0.908 209 S HN 0.684 nan 8.310 nan 0.000 0.479 210 A N -0.682 122.007 122.820 -0.218 0.000 2.608 210 A HA 0.707 5.027 4.320 -0.000 0.000 0.292 210 A C -0.371 177.250 177.584 0.061 0.000 1.066 210 A CA -0.413 51.508 52.037 -0.192 0.000 0.676 210 A CB 0.317 19.249 19.000 -0.115 0.000 1.277 210 A HN 0.403 nan 8.150 nan 0.000 0.413 211 Y N 1.732 121.952 120.300 -0.132 0.000 2.347 211 Y HA 0.161 4.710 4.550 -0.000 0.000 0.294 211 Y C 1.592 177.294 175.900 -0.329 0.000 1.117 211 Y CA 0.865 58.876 58.100 -0.149 0.000 1.184 211 Y CB -0.086 38.336 38.460 -0.064 0.000 1.047 211 Y HN 0.796 nan 8.280 nan 0.000 0.546 212 S N 0.820 116.083 115.700 -0.727 0.000 2.572 212 S HA 0.471 4.941 4.470 -0.000 0.000 0.279 212 S C 0.241 174.462 174.600 -0.630 0.000 1.341 212 S CA -0.090 57.384 58.200 -1.210 0.000 1.043 212 S CB 1.265 63.136 63.200 -2.216 0.000 0.887 212 S HN 0.535 nan 8.310 nan 0.000 0.516 213 A N 3.410 125.837 122.820 -0.655 0.000 3.234 213 A HA 0.572 4.892 4.320 -0.000 0.000 0.247 213 A C -0.512 176.470 177.584 -1.003 0.000 0.938 213 A CA -0.563 51.144 52.037 -0.551 0.000 1.039 213 A CB 0.002 19.139 19.000 0.230 0.000 1.197 213 A HN 0.793 nan 8.150 nan 0.000 0.498 214 L N 0.469 120.878 121.223 -1.356 0.000 2.408 214 L HA 0.644 4.984 4.340 -0.000 0.000 0.268 214 L C -1.372 174.993 176.870 -0.842 0.000 0.986 214 L CA -0.531 53.840 54.840 -0.781 0.000 0.820 214 L CB 2.150 43.994 42.059 -0.358 0.000 1.303 214 L HN 0.514 nan 8.230 nan 0.000 0.411 215 W N 2.682 124.050 121.300 0.114 0.000 2.728 215 W HA 0.202 4.861 4.660 -0.001 0.000 0.324 215 W C -1.084 175.704 176.519 0.447 0.000 1.012 215 W CA -1.063 56.464 57.345 0.303 0.000 1.279 215 W CB 1.160 30.815 29.460 0.324 0.000 1.289 215 W HN 0.477 nan 8.180 nan 0.000 0.418 216 W N 2.463 124.011 121.300 0.414 0.000 2.158 216 W HA 0.200 4.860 4.660 -0.000 0.000 0.339 216 W C 1.356 177.771 176.519 -0.174 0.000 1.294 216 W CA 0.497 57.950 57.345 0.182 0.000 1.231 216 W CB 0.770 30.288 29.460 0.096 0.000 1.143 216 W HN 0.175 nan 8.180 nan 0.000 0.571 217 S N 2.287 117.760 115.700 -0.378 0.000 2.600 217 S HA 0.182 4.652 4.470 -0.000 0.000 0.265 217 S C -1.794 172.503 174.600 -0.506 0.000 1.325 217 S CA -1.067 56.226 58.200 -1.511 0.000 1.002 217 S CB 1.031 63.396 63.200 -1.392 0.000 0.921 217 S HN 0.291 nan 8.310 nan 0.000 0.554 218 P HA -0.098 nan 4.420 nan 0.000 0.217 218 P C 0.754 178.003 177.300 -0.085 0.000 1.148 218 P CA 1.176 64.224 63.100 -0.088 0.000 0.834 218 P CB 0.001 31.705 31.700 0.006 0.000 0.783 219 N N -2.328 116.298 118.700 -0.124 0.000 2.203 219 N HA 0.101 4.840 4.740 -0.000 0.000 0.207 219 N C 1.103 176.519 175.510 -0.157 0.000 1.130 219 N CA 0.739 53.720 53.050 -0.115 0.000 0.861 219 N CB 0.367 38.802 38.487 -0.087 0.000 1.005 219 N HN 0.063 nan 8.380 nan 0.000 0.507 220 G N 0.096 108.806 108.800 -0.151 0.000 2.179 220 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.260 220 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.260 220 G C 1.174 176.069 174.900 -0.009 0.000 0.977 220 G CA 1.125 46.141 45.100 -0.139 0.000 0.641 220 G HN 0.360 nan 8.290 nan 0.000 0.533 221 T N 0.051 114.499 114.554 -0.176 0.000 2.674 221 T HA 0.171 4.520 4.350 -0.000 0.000 0.265 221 T C 0.902 175.327 174.700 -0.460 0.000 1.039 221 T CA 1.534 63.375 62.100 -0.433 0.000 1.150 221 T CB -0.103 68.289 68.868 -0.793 0.000 0.864 221 T HN 0.332 nan 8.240 nan 0.000 0.427 222 F N -0.019 119.969 119.950 0.064 0.000 2.523 222 F HA 0.668 5.195 4.527 -0.001 0.000 0.329 222 F C -0.296 175.594 175.800 0.150 0.000 1.061 222 F CA -1.715 56.366 58.000 0.134 0.000 0.967 222 F CB 1.200 40.323 39.000 0.205 0.000 1.218 222 F HN -0.135 nan 8.300 nan 0.000 0.480 223 L N 2.311 123.701 121.223 0.278 0.000 2.415 223 L HA 0.785 5.125 4.340 -0.000 0.000 0.268 223 L C -0.684 176.285 176.870 0.165 0.000 0.984 223 L CA -0.606 54.212 54.840 -0.036 0.000 0.853 223 L CB 0.614 42.352 42.059 -0.535 0.000 1.215 223 L HN 0.682 nan 8.230 nan 0.000 0.419 224 A N 4.510 127.522 122.820 0.319 0.000 2.293 224 A HA 0.802 5.121 4.320 -0.000 0.000 0.302 224 A C -1.295 176.417 177.584 0.214 0.000 1.119 224 A CA -0.163 51.953 52.037 0.131 0.000 0.823 224 A CB 0.606 19.686 19.000 0.133 0.000 1.097 224 A HN 0.943 nan 8.150 nan 0.000 0.491 225 Y N -1.992 118.178 120.300 -0.216 0.000 2.656 225 Y HA 0.731 5.280 4.550 -0.001 0.000 0.334 225 Y C -0.499 175.340 175.900 -0.102 0.000 1.179 225 Y CA -0.876 57.185 58.100 -0.064 0.000 1.050 225 Y CB 0.785 39.146 38.460 -0.164 0.000 1.308 225 Y HN 0.988 nan 8.280 nan 0.000 0.456 226 A N 2.146 125.059 122.820 0.155 0.000 2.340 226 A HA 0.676 4.995 4.320 -0.000 0.000 0.331 226 A C -1.299 176.157 177.584 -0.214 0.000 1.140 226 A CA -0.860 51.102 52.037 -0.123 0.000 0.801 226 A CB 1.805 20.769 19.000 -0.061 0.000 1.234 226 A HN 0.826 nan 8.150 nan 0.000 0.469 227 Q N 1.193 120.780 119.800 -0.355 0.000 2.333 227 Q HA 0.625 4.965 4.340 -0.000 0.000 0.267 227 Q C -2.034 173.654 176.000 -0.520 0.000 1.012 227 Q CA -0.390 55.306 55.803 -0.180 0.000 0.824 227 Q CB 1.029 29.868 28.738 0.169 0.000 1.290 227 Q HN 0.580 nan 8.270 nan 0.000 0.449 228 F N 2.410 122.437 119.950 0.127 0.000 2.469 228 F HA 0.404 4.931 4.527 -0.000 0.000 0.332 228 F C 0.343 176.265 175.800 0.204 0.000 1.103 228 F CA -0.919 57.129 58.000 0.080 0.000 0.979 228 F CB 1.502 40.468 39.000 -0.056 0.000 1.137 228 F HN 0.451 nan 8.300 nan 0.000 0.463 229 N N 2.124 121.009 118.700 0.308 0.000 2.479 229 N HA 0.207 4.947 4.740 -0.000 0.000 0.261 229 N C -0.722 174.938 175.510 0.249 0.000 0.979 229 N CA -0.282 52.917 53.050 0.247 0.000 0.930 229 N CB 1.044 39.623 38.487 0.154 0.000 1.172 229 N HN 0.529 nan 8.380 nan 0.000 0.499 230 D N 1.654 122.223 120.400 0.282 0.000 2.368 230 D HA 0.098 4.738 4.640 -0.000 0.000 0.218 230 D C 1.237 177.636 176.300 0.165 0.000 1.112 230 D CA 0.198 54.342 54.000 0.240 0.000 0.834 230 D CB 0.431 41.425 40.800 0.323 0.000 0.953 230 D HN 0.489 nan 8.370 nan 0.000 0.505 231 T N 0.640 115.274 114.554 0.133 0.000 2.624 231 T HA -0.236 4.113 4.350 -0.000 0.000 0.266 231 T C 1.406 176.151 174.700 0.075 0.000 1.050 231 T CA 1.424 63.578 62.100 0.090 0.000 1.163 231 T CB -0.066 68.845 68.868 0.071 0.000 0.861 231 T HN 0.332 nan 8.240 nan 0.000 0.443 232 E N 0.300 120.545 120.200 0.074 0.000 2.463 232 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 232 E C -0.335 176.303 176.600 0.063 0.000 1.041 232 E CA -0.235 56.200 56.400 0.058 0.000 0.879 232 E CB 0.438 30.166 29.700 0.045 0.000 0.997 232 E HN 0.228 nan 8.360 nan 0.000 0.478 233 V N 3.833 123.797 119.914 0.084 0.000 2.470 233 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 233 V C -1.995 174.145 176.094 0.078 0.000 1.040 233 V CA -1.553 60.800 62.300 0.088 0.000 1.008 233 V CB 0.276 32.168 31.823 0.114 0.000 0.990 233 V HN 0.042 nan 8.190 nan 0.000 0.477 234 P HA 0.189 nan 4.420 nan 0.000 0.270 234 P C -0.660 176.669 177.300 0.049 0.000 1.223 234 P CA -0.225 62.904 63.100 0.050 0.000 0.785 234 P CB 0.507 32.235 31.700 0.046 0.000 0.923 235 L N 1.810 123.040 121.223 0.012 0.000 2.295 235 L HA 0.425 4.764 4.340 -0.000 0.000 0.285 235 L C 0.419 177.234 176.870 -0.092 0.000 1.035 235 L CA -0.999 53.828 54.840 -0.021 0.000 0.806 235 L CB 1.003 43.044 42.059 -0.030 0.000 1.214 235 L HN 0.311 nan 8.230 nan 0.000 0.426 236 I N 2.893 123.359 120.570 -0.173 0.000 2.472 236 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 236 I C -0.313 175.639 176.117 -0.275 0.000 1.016 236 I CA 0.345 61.439 61.300 -0.344 0.000 1.348 236 I CB 0.794 38.301 38.000 -0.823 0.000 1.417 236 I HN 0.574 nan 8.210 nan 0.000 0.521 237 E N 7.174 127.235 120.200 -0.231 0.000 2.272 237 E HA 0.490 4.840 4.350 -0.000 0.000 0.269 237 E C -1.819 174.704 176.600 -0.130 0.000 0.877 237 E CA -0.605 55.659 56.400 -0.227 0.000 0.755 237 E CB 2.163 31.765 29.700 -0.164 0.000 1.192 237 E HN 0.588 nan 8.360 nan 0.000 0.422 238 Y N -1.847 118.349 120.300 -0.174 0.000 2.609 238 Y HA 0.550 5.100 4.550 -0.000 0.000 0.336 238 Y C -0.754 175.059 175.900 -0.145 0.000 1.129 238 Y CA -1.230 56.775 58.100 -0.158 0.000 1.040 238 Y CB 0.864 39.231 38.460 -0.155 0.000 1.310 238 Y HN 0.212 nan 8.280 nan 0.000 0.460 239 S N 1.868 117.555 115.700 -0.022 0.000 2.584 239 S HA 0.509 4.978 4.470 -0.000 0.000 0.273 239 S C -1.419 173.004 174.600 -0.294 0.000 1.311 239 S CA -0.401 57.631 58.200 -0.279 0.000 1.034 239 S CB 0.645 63.530 63.200 -0.525 0.000 0.939 239 S HN 0.550 nan 8.310 nan 0.000 0.513 240 F N 2.027 121.684 119.950 -0.488 0.000 2.536 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.322 240 F C -0.353 175.205 175.800 -0.403 0.000 1.144 240 F CA -0.928 56.891 58.000 -0.302 0.000 0.924 240 F CB 0.810 39.763 39.000 -0.078 0.000 1.181 240 F HN 0.642 nan 8.300 nan 0.000 0.438 241 Y N 2.787 122.844 120.300 -0.404 0.000 2.448 241 Y HA 0.132 4.681 4.550 -0.000 0.000 0.289 241 Y C 1.717 177.514 175.900 -0.173 0.000 1.114 241 Y CA 1.089 59.051 58.100 -0.229 0.000 1.235 241 Y CB -0.512 37.809 38.460 -0.231 0.000 1.045 241 Y HN 0.743 nan 8.280 nan 0.000 0.554 242 S N -0.072 115.476 115.700 -0.253 0.000 3.513 242 S HA -0.326 4.144 4.470 -0.000 0.000 0.636 242 S C -0.144 174.479 174.600 0.040 0.000 2.452 242 S CA 0.224 58.445 58.200 0.035 0.000 2.644 242 S CB -1.382 61.964 63.200 0.243 0.000 0.331 242 S HN 0.631 nan 8.310 nan 0.000 1.787 243 D N 0.957 121.410 120.400 0.088 0.000 2.449 243 D HA 0.182 4.821 4.640 -0.000 0.000 0.236 243 D C 1.454 177.779 176.300 0.042 0.000 1.149 243 D CA 0.913 54.948 54.000 0.059 0.000 0.878 243 D CB 0.433 41.272 40.800 0.065 0.000 1.198 243 D HN 0.551 nan 8.370 nan 0.000 0.446 244 E N 1.331 121.546 120.200 0.024 0.000 2.187 244 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 244 E C 1.529 178.139 176.600 0.015 0.000 1.004 244 E CA 1.467 57.874 56.400 0.011 0.000 0.813 244 E CB -0.024 29.677 29.700 0.002 0.000 0.736 244 E HN 0.566 nan 8.360 nan 0.000 0.468 245 S N 0.136 115.851 115.700 0.025 0.000 2.447 245 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 245 S C 1.179 175.802 174.600 0.037 0.000 1.006 245 S CA 0.056 58.272 58.200 0.027 0.000 0.957 245 S CB -0.236 62.982 63.200 0.031 0.000 0.773 245 S HN 0.271 nan 8.310 nan 0.000 0.507 246 L N 2.400 123.653 121.223 0.051 0.000 2.500 246 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 246 L C 1.639 178.543 176.870 0.056 0.000 1.149 246 L CA 0.128 55.010 54.840 0.070 0.000 0.897 246 L CB 0.900 43.013 42.059 0.090 0.000 1.178 246 L HN 0.470 nan 8.230 nan 0.000 0.473 247 Q N 4.068 123.909 119.800 0.068 0.000 2.083 247 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 247 Q C -0.634 175.294 176.000 -0.119 0.000 0.969 247 Q CA 1.343 57.140 55.803 -0.010 0.000 0.838 247 Q CB 0.232 28.991 28.738 0.037 0.000 0.900 247 Q HN 0.585 nan 8.270 nan 0.000 0.436 248 Y N 0.454 120.765 120.300 0.019 0.000 2.364 248 Y HA 0.390 4.940 4.550 -0.000 0.000 0.340 248 Y C -2.022 173.885 175.900 0.012 0.000 0.975 248 Y CA -2.947 55.161 58.100 0.013 0.000 1.089 248 Y CB 1.308 39.767 38.460 -0.000 0.000 1.192 248 Y HN 0.135 nan 8.280 nan 0.000 0.454 249 P HA 0.050 nan 4.420 nan 0.000 0.269 249 P C -0.823 176.483 177.300 0.011 0.000 1.217 249 P CA -0.536 62.578 63.100 0.023 0.000 0.783 249 P CB 0.721 32.375 31.700 -0.077 0.000 0.898 250 K N 0.557 120.941 120.400 -0.027 0.000 2.138 250 K HA 0.398 4.718 4.320 -0.000 0.000 0.263 250 K C -0.870 175.680 176.600 -0.085 0.000 0.965 250 K CA -0.393 55.884 56.287 -0.016 0.000 0.868 250 K CB 0.737 33.267 32.500 0.050 0.000 1.083 250 K HN 0.308 nan 8.250 nan 0.000 0.443 251 T N 2.959 117.450 114.554 -0.105 0.000 2.756 251 T HA 0.241 4.590 4.350 -0.000 0.000 0.290 251 T C -0.610 173.960 174.700 -0.216 0.000 0.985 251 T CA -0.580 61.421 62.100 -0.165 0.000 0.955 251 T CB 1.056 69.842 68.868 -0.136 0.000 0.930 251 T HN 0.291 nan 8.240 nan 0.000 0.451 252 V N 6.105 125.795 119.914 -0.374 0.000 2.546 252 V HA 0.552 4.672 4.120 -0.000 0.000 0.284 252 V C 0.400 176.212 176.094 -0.471 0.000 1.050 252 V CA -0.649 61.377 62.300 -0.457 0.000 0.981 252 V CB 0.822 32.178 31.823 -0.778 0.000 0.990 252 V HN 0.788 nan 8.190 nan 0.000 0.474 253 R N 5.192 125.542 120.500 -0.250 0.000 2.621 253 R HA 0.772 5.112 4.340 -0.000 0.000 0.284 253 R C -1.824 174.440 176.300 -0.059 0.000 0.998 253 R CA -0.732 55.260 56.100 -0.182 0.000 0.895 253 R CB 2.017 32.246 30.300 -0.119 0.000 1.195 253 R HN 0.584 nan 8.270 nan 0.000 0.450 254 I N 2.128 122.659 120.570 -0.064 0.000 2.569 254 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 254 I C -2.563 173.584 176.117 0.051 0.000 1.088 254 I CA -2.758 58.563 61.300 0.036 0.000 1.047 254 I CB 3.095 41.037 38.000 -0.097 0.000 1.237 254 I HN 0.327 nan 8.210 nan 0.000 0.421 255 P HA 0.088 nan 4.420 nan 0.000 0.275 255 P C -1.514 175.881 177.300 0.157 0.000 1.276 255 P CA 0.241 63.431 63.100 0.150 0.000 0.782 255 P CB -0.073 31.756 31.700 0.216 0.000 0.851 256 Y N 6.705 126.979 120.300 -0.044 0.000 2.332 256 Y HA 0.417 4.967 4.550 -0.000 0.000 0.325 256 Y C -2.747 173.127 175.900 -0.044 0.000 1.054 256 Y CA -2.951 55.084 58.100 -0.108 0.000 1.119 256 Y CB 1.899 40.174 38.460 -0.308 0.000 1.168 256 Y HN 0.279 nan 8.280 nan 0.000 0.439 257 P HA 0.258 nan 4.420 nan 0.000 0.291 257 P C -1.051 176.279 177.300 0.052 0.000 1.340 257 P CA -0.237 62.883 63.100 0.033 0.000 0.799 257 P CB 1.393 33.095 31.700 0.003 0.000 0.917 258 K N 2.063 122.584 120.400 0.202 0.000 2.098 258 K HA 0.523 4.843 4.320 -0.000 0.000 0.244 258 K C 0.533 177.225 176.600 0.153 0.000 1.014 258 K CA -0.758 55.671 56.287 0.236 0.000 0.917 258 K CB 0.638 33.297 32.500 0.264 0.000 1.072 258 K HN 0.450 nan 8.250 nan 0.000 0.477 259 A N 0.761 123.695 122.820 0.190 0.000 2.591 259 A HA 0.215 4.535 4.320 -0.000 0.000 0.244 259 A C 1.217 178.839 177.584 0.064 0.000 1.031 259 A CA 1.115 53.252 52.037 0.168 0.000 0.767 259 A CB -1.256 17.912 19.000 0.280 0.000 0.942 259 A HN 0.925 nan 8.150 nan 0.000 0.514 260 G N 0.858 109.687 108.800 0.050 0.000 2.189 260 G HA2 0.091 4.051 3.960 -0.000 0.000 0.267 260 G HA3 0.091 4.051 3.960 -0.000 0.000 0.267 260 G C 0.664 175.574 174.900 0.016 0.000 0.975 260 G CA 0.951 46.054 45.100 0.006 0.000 0.644 260 G HN 2.221 nan 8.290 nan 0.000 0.537 261 A N -0.369 122.475 122.820 0.041 0.000 2.246 261 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 261 A C 0.589 178.196 177.584 0.037 0.000 1.103 261 A CA -0.281 51.782 52.037 0.042 0.000 0.844 261 A CB 0.377 19.417 19.000 0.067 0.000 1.136 261 A HN 0.260 nan 8.150 nan 0.000 0.500 262 E N 1.240 121.462 120.200 0.037 0.000 2.415 262 E HA 0.062 4.412 4.350 -0.000 0.000 0.263 262 E C -0.628 176.002 176.600 0.050 0.000 0.995 262 E CA 0.164 56.585 56.400 0.034 0.000 0.915 262 E CB 0.342 30.064 29.700 0.036 0.000 0.951 262 E HN 0.474 nan 8.360 nan 0.000 0.449 263 N N 2.950 121.677 118.700 0.045 0.000 2.472 263 N HA 0.380 5.119 4.740 -0.000 0.000 0.289 263 N C -2.391 173.183 175.510 0.106 0.000 1.156 263 N CA -1.657 51.440 53.050 0.078 0.000 0.940 263 N CB 0.800 39.326 38.487 0.066 0.000 1.200 263 N HN 0.194 nan 8.380 nan 0.000 0.511 264 P HA 0.106 nan 4.420 nan 0.000 0.272 264 P C -0.511 176.923 177.300 0.222 0.000 1.223 264 P CA -0.144 63.089 63.100 0.221 0.000 0.784 264 P CB 0.394 32.270 31.700 0.293 0.000 0.923 265 T N -1.273 113.386 114.554 0.174 0.000 2.944 265 T HA 0.579 4.929 4.350 -0.000 0.000 0.284 265 T C -0.163 174.625 174.700 0.147 0.000 1.010 265 T CA -0.820 61.338 62.100 0.097 0.000 1.025 265 T CB 1.523 70.413 68.868 0.036 0.000 1.079 265 T HN 0.354 nan 8.240 nan 0.000 0.516 266 V N 0.289 120.261 119.914 0.097 0.000 2.962 266 V HA 0.767 4.886 4.120 -0.000 0.000 0.313 266 V C -1.633 174.479 176.094 0.031 0.000 1.099 266 V CA -0.952 61.357 62.300 0.016 0.000 0.971 266 V CB 2.116 33.988 31.823 0.081 0.000 1.028 266 V HN 1.034 nan 8.190 nan 0.000 0.430 267 K N 4.455 124.796 120.400 -0.098 0.000 2.427 267 K HA 0.519 4.838 4.320 -0.000 0.000 0.252 267 K C -1.873 174.569 176.600 -0.263 0.000 0.931 267 K CA -0.381 55.803 56.287 -0.172 0.000 0.793 267 K CB 2.674 35.037 32.500 -0.227 0.000 1.211 267 K HN 0.594 nan 8.250 nan 0.000 0.426 268 F N 3.113 122.783 119.950 -0.467 0.000 2.495 268 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 268 F C -1.361 174.025 175.800 -0.691 0.000 1.103 268 F CA -0.590 57.156 58.000 -0.423 0.000 0.949 268 F CB 0.771 39.648 39.000 -0.205 0.000 1.142 268 F HN 0.396 nan 8.300 nan 0.000 0.457 269 F N 3.695 122.962 119.950 -1.138 0.000 2.629 269 F HA 0.721 5.248 4.527 -0.000 0.000 0.316 269 F C -1.015 174.321 175.800 -0.773 0.000 1.081 269 F CA -1.226 56.314 58.000 -0.767 0.000 0.954 269 F CB 2.039 40.591 39.000 -0.748 0.000 1.337 269 F HN 0.099 nan 8.300 nan 0.000 0.474 270 V N 2.630 122.495 119.914 -0.083 0.000 2.443 270 V HA 0.471 4.591 4.120 -0.000 0.000 0.293 270 V C -0.814 175.433 176.094 0.255 0.000 1.021 270 V CA -0.780 61.493 62.300 -0.045 0.000 0.848 270 V CB 1.661 33.219 31.823 -0.442 0.000 0.998 270 V HN 0.532 nan 8.190 nan 0.000 0.424 271 V N 3.344 123.436 119.914 0.297 0.000 2.481 271 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 271 V C -0.070 176.296 176.094 0.455 0.000 1.042 271 V CA -0.445 62.049 62.300 0.323 0.000 0.928 271 V CB 1.923 33.856 31.823 0.184 0.000 0.986 271 V HN 0.877 nan 8.190 nan 0.000 0.462 272 D N 3.219 123.893 120.400 0.457 0.000 2.380 272 D HA 0.110 4.750 4.640 -0.000 0.000 0.230 272 D C 1.298 177.707 176.300 0.181 0.000 1.154 272 D CA -0.046 54.199 54.000 0.409 0.000 0.859 272 D CB 1.673 42.739 40.800 0.444 0.000 1.045 272 D HN 0.738 nan 8.370 nan 0.000 0.495 273 T N 1.302 115.916 114.554 0.100 0.000 3.163 273 T HA -0.013 4.337 4.350 -0.000 0.000 0.260 273 T C 1.586 176.319 174.700 0.055 0.000 1.156 273 T CA 0.388 62.541 62.100 0.089 0.000 1.072 273 T CB -0.010 68.955 68.868 0.160 0.000 0.937 273 T HN 0.301 nan 8.240 nan 0.000 0.528 274 R N 1.237 121.745 120.500 0.013 0.000 2.148 274 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 274 R C 2.407 178.732 176.300 0.041 0.000 1.103 274 R CA 1.678 57.782 56.100 0.006 0.000 0.983 274 R CB -0.381 29.902 30.300 -0.027 0.000 0.874 274 R HN 0.669 nan 8.270 nan 0.000 0.451 275 T N -2.005 112.590 114.554 0.068 0.000 3.069 275 T HA 0.163 4.513 4.350 -0.000 0.000 0.252 275 T C 0.420 175.163 174.700 0.071 0.000 1.053 275 T CA -0.391 61.753 62.100 0.073 0.000 0.964 275 T CB 0.119 69.042 68.868 0.093 0.000 1.005 275 T HN -0.153 nan 8.240 nan 0.000 0.532 276 L N 2.981 124.245 121.223 0.068 0.000 2.534 276 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 276 L C 0.347 177.252 176.870 0.058 0.000 1.178 276 L CA 0.425 55.303 54.840 0.064 0.000 0.907 276 L CB 0.032 42.123 42.059 0.054 0.000 1.164 276 L HN 0.391 nan 8.230 nan 0.000 0.482 277 S N 5.110 120.848 115.700 0.063 0.000 2.537 277 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 277 S C -1.929 172.709 174.600 0.064 0.000 1.148 277 S CA -0.909 57.325 58.200 0.056 0.000 0.868 277 S CB 1.748 64.978 63.200 0.050 0.000 1.115 277 S HN 0.417 nan 8.310 nan 0.000 0.461 278 P HA -0.140 nan 4.420 nan 0.000 0.218 278 P C 0.356 177.696 177.300 0.068 0.000 1.154 278 P CA 1.504 64.643 63.100 0.066 0.000 0.872 278 P CB -0.076 31.656 31.700 0.054 0.000 0.790 279 N N -0.613 118.119 118.700 0.053 0.000 2.251 279 N HA 0.255 4.995 4.740 -0.000 0.000 0.217 279 N C 0.366 175.900 175.510 0.040 0.000 1.124 279 N CA 0.024 53.099 53.050 0.043 0.000 0.843 279 N CB 0.672 39.178 38.487 0.032 0.000 1.024 279 N HN 0.157 nan 8.380 nan 0.000 0.501 280 A N 0.610 123.462 122.820 0.054 0.000 2.320 280 A HA 0.600 4.920 4.320 -0.000 0.000 0.334 280 A C 0.694 178.318 177.584 0.066 0.000 1.147 280 A CA -0.525 51.544 52.037 0.053 0.000 0.820 280 A CB 0.992 20.028 19.000 0.060 0.000 1.218 280 A HN 0.187 nan 8.150 nan 0.000 0.482 281 S N 0.244 115.973 115.700 0.049 0.000 2.640 281 S HA 0.515 4.985 4.470 -0.000 0.000 0.262 281 S C 0.020 174.684 174.600 0.107 0.000 1.232 281 S CA -0.446 57.781 58.200 0.045 0.000 0.988 281 S CB 0.522 63.724 63.200 0.003 0.000 1.034 281 S HN 0.827 nan 8.310 nan 0.000 0.569 282 V N 1.300 121.299 119.914 0.141 0.000 2.439 282 V HA 0.344 4.463 4.120 -0.000 0.000 0.282 282 V C 0.207 176.389 176.094 0.147 0.000 1.039 282 V CA -0.572 61.824 62.300 0.161 0.000 0.913 282 V CB 1.247 33.194 31.823 0.208 0.000 0.983 282 V HN 1.000 nan 8.190 nan 0.000 0.460 283 T N 4.541 119.194 114.554 0.164 0.000 2.723 283 T HA 0.433 4.783 4.350 -0.000 0.000 0.297 283 T C 0.073 174.929 174.700 0.260 0.000 0.925 283 T CA 0.010 62.234 62.100 0.208 0.000 1.030 283 T CB 0.517 69.522 68.868 0.228 0.000 0.905 283 T HN 0.869 nan 8.240 nan 0.000 0.502 284 S N 3.723 119.586 115.700 0.272 0.000 2.541 284 S HA 0.639 5.109 4.470 -0.000 0.000 0.271 284 S C -1.762 173.087 174.600 0.415 0.000 1.133 284 S CA -0.882 57.511 58.200 0.321 0.000 0.876 284 S CB 1.531 64.844 63.200 0.188 0.000 1.105 284 S HN 0.604 nan 8.310 nan 0.000 0.470 285 Y N 2.281 122.790 120.300 0.348 0.000 2.350 285 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 285 Y C -0.288 175.767 175.900 0.259 0.000 0.961 285 Y CA -0.422 57.878 58.100 0.333 0.000 1.100 285 Y CB 1.796 40.526 38.460 0.450 0.000 1.179 285 Y HN 0.887 nan 8.280 nan 0.000 0.454 286 Q N 6.469 126.056 119.800 -0.354 0.000 2.279 286 Q HA 0.481 4.821 4.340 -0.000 0.000 0.256 286 Q C -1.262 174.505 176.000 -0.390 0.000 0.937 286 Q CA -0.425 55.087 55.803 -0.485 0.000 0.933 286 Q CB 0.742 29.111 28.738 -0.614 0.000 1.189 286 Q HN 0.754 nan 8.270 nan 0.000 0.417 287 I N 4.335 124.853 120.570 -0.087 0.000 2.354 287 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 287 I C -0.377 175.753 176.117 0.022 0.000 0.989 287 I CA -0.874 60.485 61.300 0.099 0.000 1.188 287 I CB 1.602 39.747 38.000 0.241 0.000 1.342 287 I HN 0.362 nan 8.210 nan 0.000 0.457 288 V N 7.488 127.343 119.914 -0.098 0.000 2.834 288 V HA 0.437 4.556 4.120 -0.000 0.000 0.313 288 V C -1.965 173.800 176.094 -0.548 0.000 1.060 288 V CA -1.614 60.505 62.300 -0.301 0.000 0.989 288 V CB 1.651 33.311 31.823 -0.272 0.000 1.041 288 V HN 0.624 nan 8.190 nan 0.000 0.459 289 P HA 0.302 nan 4.420 nan 0.000 0.274 289 P C -2.807 174.066 177.300 -0.712 0.000 1.246 289 P CA -1.637 60.574 63.100 -1.482 0.000 0.795 289 P CB -0.046 30.311 31.700 -2.238 0.000 1.006 290 P HA -0.039 nan 4.420 nan 0.000 0.269 290 P C 0.904 178.038 177.300 -0.276 0.000 1.217 290 P CA 0.301 63.242 63.100 -0.264 0.000 0.783 290 P CB 0.061 31.674 31.700 -0.144 0.000 0.898 291 A N 1.918 124.624 122.820 -0.191 0.000 1.917 291 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 291 A C 2.151 179.622 177.584 -0.188 0.000 1.182 291 A CA 2.465 54.395 52.037 -0.178 0.000 0.633 291 A CB -1.900 17.026 19.000 -0.122 0.000 0.819 291 A HN 0.633 nan 8.150 nan 0.000 0.448 292 S N -1.005 114.599 115.700 -0.160 0.000 2.440 292 S HA -0.089 4.381 4.470 -0.000 0.000 0.238 292 S C 1.448 175.860 174.600 -0.313 0.000 1.010 292 S CA 1.619 59.697 58.200 -0.204 0.000 0.972 292 S CB -0.394 62.749 63.200 -0.094 0.000 0.774 292 S HN 0.311 nan 8.310 nan 0.000 0.501 293 V N 0.425 120.172 119.914 -0.279 0.000 3.151 293 V HA 0.277 4.397 4.120 -0.000 0.000 0.241 293 V C 2.101 177.974 176.094 -0.369 0.000 1.173 293 V CA 0.303 62.423 62.300 -0.300 0.000 1.154 293 V CB -0.263 31.395 31.823 -0.275 0.000 0.898 293 V HN 0.416 nan 8.190 nan 0.000 0.473 294 L N 0.176 121.133 121.223 -0.443 0.000 2.187 294 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 294 L C 2.298 179.051 176.870 -0.196 0.000 1.100 294 L CA 1.697 56.294 54.840 -0.406 0.000 0.765 294 L CB -0.206 41.641 42.059 -0.354 0.000 0.904 294 L HN 0.326 nan 8.230 nan 0.000 0.437 295 I N -0.428 120.034 120.570 -0.179 0.000 2.236 295 I HA -0.225 3.944 4.170 -0.000 0.000 0.249 295 I C 1.341 177.409 176.117 -0.081 0.000 1.102 295 I CA 1.357 62.583 61.300 -0.125 0.000 1.365 295 I CB -0.461 37.455 38.000 -0.140 0.000 1.051 295 I HN 0.395 nan 8.210 nan 0.000 0.420 296 G N -1.112 107.654 108.800 -0.056 0.000 2.815 296 G HA2 0.232 4.192 3.960 -0.000 0.000 0.305 296 G HA3 0.232 4.192 3.960 -0.000 0.000 0.305 296 G C -1.531 173.396 174.900 0.044 0.000 1.277 296 G CA -0.494 44.593 45.100 -0.023 0.000 0.795 296 G HN -0.116 nan 8.290 nan 0.000 0.528 297 D N 1.415 121.784 120.400 -0.052 0.000 2.533 297 D HA 0.350 4.990 4.640 -0.000 0.000 0.236 297 D C 0.425 176.624 176.300 -0.168 0.000 1.137 297 D CA 0.874 54.777 54.000 -0.162 0.000 0.867 297 D CB 0.202 40.890 40.800 -0.188 0.000 1.170 297 D HN 0.521 nan 8.370 nan 0.000 0.474 298 H N -0.214 118.710 119.070 -0.243 0.000 2.942 298 H HA 0.468 5.023 4.556 -0.000 0.000 0.316 298 H C -1.305 173.913 175.328 -0.184 0.000 1.323 298 H CA -0.826 55.098 56.048 -0.207 0.000 1.144 298 H CB 0.439 30.186 29.762 -0.026 0.000 1.866 298 H HN 0.270 nan 8.280 nan 0.000 0.545 299 Y N 0.045 120.589 120.300 0.407 0.000 2.545 299 Y HA 0.378 4.928 4.550 -0.000 0.000 0.348 299 Y C -0.434 175.822 175.900 0.594 0.000 1.002 299 Y CA -1.145 57.206 58.100 0.419 0.000 1.039 299 Y CB 2.075 40.622 38.460 0.146 0.000 1.271 299 Y HN 0.494 nan 8.280 nan 0.000 0.467 300 L N 3.367 125.045 121.223 0.757 0.000 2.257 300 L HA 0.439 4.779 4.340 -0.000 0.000 0.290 300 L C 0.295 177.409 176.870 0.407 0.000 1.044 300 L CA -0.400 54.579 54.840 0.232 0.000 0.810 300 L CB 0.337 42.425 42.059 0.049 0.000 1.193 300 L HN 0.932 nan 8.230 nan 0.000 0.425 301 C N 1.844 121.240 119.300 0.160 0.000 3.243 301 C HA 0.881 5.340 4.460 -0.000 0.000 0.286 301 C C 0.641 175.659 174.990 0.047 0.000 1.373 301 C CA -0.038 59.131 59.018 0.252 0.000 1.749 301 C CB -0.989 26.853 27.740 0.169 0.000 2.313 301 C HN 0.976 nan 8.230 nan 0.000 0.644 302 G N -0.055 108.608 108.800 -0.228 0.000 2.655 302 G HA2 0.557 4.516 3.960 -0.000 0.000 0.296 302 G HA3 0.557 4.516 3.960 -0.000 0.000 0.296 302 G C -1.901 172.584 174.900 -0.691 0.000 1.485 302 G CA -0.196 44.659 45.100 -0.409 0.000 0.869 302 G HN 0.415 nan 8.290 nan 0.000 0.540 303 V N 0.653 120.092 119.914 -0.791 0.000 2.668 303 V HA 0.796 4.916 4.120 -0.000 0.000 0.304 303 V C -0.494 175.163 176.094 -0.728 0.000 1.071 303 V CA -0.711 60.971 62.300 -1.029 0.000 0.894 303 V CB 2.192 32.951 31.823 -1.774 0.000 1.008 303 V HN 0.962 nan 8.190 nan 0.000 0.425 304 T N 2.824 117.009 114.554 -0.615 0.000 2.937 304 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 304 T C -0.961 173.511 174.700 -0.381 0.000 0.991 304 T CA -0.397 61.489 62.100 -0.356 0.000 0.990 304 T CB 0.917 69.665 68.868 -0.199 0.000 0.991 304 T HN 0.548 nan 8.240 nan 0.000 0.440 305 W N 2.702 123.911 121.300 -0.152 0.000 2.304 305 W HA 0.360 5.020 4.660 -0.001 0.000 0.313 305 W C 1.076 177.511 176.519 -0.140 0.000 1.323 305 W CA -0.401 56.880 57.345 -0.107 0.000 1.223 305 W CB 0.770 30.252 29.460 0.038 0.000 1.237 305 W HN 0.483 nan 8.180 nan 0.000 0.535 306 V N 1.940 121.876 119.914 0.038 0.000 2.521 306 V HA 0.072 4.192 4.120 -0.000 0.000 0.239 306 V C 0.914 177.073 176.094 0.109 0.000 1.053 306 V CA 1.554 63.783 62.300 -0.119 0.000 1.073 306 V CB -0.231 31.300 31.823 -0.487 0.000 0.746 306 V HN 0.665 nan 8.190 nan 0.000 0.476 307 T N -4.390 110.291 114.554 0.211 0.000 2.681 307 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 307 T C 0.396 175.278 174.700 0.302 0.000 1.157 307 T CA -0.476 61.752 62.100 0.214 0.000 1.025 307 T CB 1.865 70.837 68.868 0.173 0.000 1.441 307 T HN -0.087 nan 8.240 nan 0.000 0.504 308 E N 0.509 120.840 120.200 0.219 0.000 2.333 308 E HA -0.042 4.307 4.350 -0.000 0.000 0.198 308 E C 0.889 177.768 176.600 0.466 0.000 1.007 308 E CA 1.072 57.615 56.400 0.239 0.000 0.845 308 E CB 0.062 29.852 29.700 0.151 0.000 0.766 308 E HN 0.759 nan 8.360 nan 0.000 0.507 309 E N -0.125 120.318 120.200 0.405 0.000 2.693 309 E HA 0.160 4.510 4.350 -0.000 0.000 0.214 309 E C 0.207 177.066 176.600 0.432 0.000 0.990 309 E CA -0.181 56.438 56.400 0.365 0.000 1.047 309 E CB 1.010 30.838 29.700 0.213 0.000 1.039 309 E HN -0.115 nan 8.360 nan 0.000 0.475 310 R N 1.538 122.345 120.500 0.512 0.000 2.533 310 R HA 0.502 4.842 4.340 -0.000 0.000 0.288 310 R C -1.851 174.538 176.300 0.148 0.000 1.039 310 R CA -0.430 55.858 56.100 0.312 0.000 0.909 310 R CB 1.379 31.751 30.300 0.120 0.000 1.195 310 R HN 0.064 nan 8.270 nan 0.000 0.438 311 I N 2.378 122.893 120.570 -0.091 0.000 2.608 311 I HA 0.372 4.541 4.170 -0.000 0.000 0.295 311 I C -1.156 174.661 176.117 -0.500 0.000 1.049 311 I CA -0.525 60.451 61.300 -0.539 0.000 1.063 311 I CB 2.388 39.721 38.000 -1.111 0.000 1.248 311 I HN 0.658 nan 8.210 nan 0.000 0.424 312 S N 7.653 122.993 115.700 -0.601 0.000 2.438 312 S HA 0.623 5.093 4.470 -0.000 0.000 0.316 312 S C -0.887 173.371 174.600 -0.571 0.000 1.084 312 S CA -0.661 57.246 58.200 -0.487 0.000 1.107 312 S CB 0.426 63.373 63.200 -0.422 0.000 0.981 312 S HN 0.479 nan 8.310 nan 0.000 0.466 313 L N 4.486 125.394 121.223 -0.524 0.000 2.329 313 L HA 0.581 4.921 4.340 -0.000 0.000 0.279 313 L C -0.031 176.518 176.870 -0.536 0.000 1.014 313 L CA -0.667 53.735 54.840 -0.730 0.000 0.814 313 L CB 1.842 43.426 42.059 -0.791 0.000 1.257 313 L HN 0.617 nan 8.230 nan 0.000 0.424 314 Q N 2.257 121.668 119.800 -0.648 0.000 2.325 314 Q HA 0.403 4.743 4.340 -0.000 0.000 0.270 314 Q C -1.942 173.835 176.000 -0.372 0.000 1.020 314 Q CA -0.584 55.007 55.803 -0.354 0.000 0.785 314 Q CB 1.561 30.146 28.738 -0.256 0.000 1.259 314 Q HN 0.486 nan 8.270 nan 0.000 0.452 315 W N 3.751 125.031 121.300 -0.034 0.000 2.719 315 W HA 0.695 5.355 4.660 -0.000 0.000 0.352 315 W C -0.588 176.000 176.519 0.116 0.000 1.085 315 W CA -0.672 56.704 57.345 0.052 0.000 1.187 315 W CB 1.290 30.749 29.460 -0.002 0.000 1.417 315 W HN 0.531 nan 8.180 nan 0.000 0.557 316 I N 1.321 122.166 120.570 0.458 0.000 2.769 316 I HA 0.473 4.642 4.170 -0.000 0.000 0.298 316 I C -0.049 176.276 176.117 0.347 0.000 1.128 316 I CA -1.147 60.374 61.300 0.368 0.000 1.031 316 I CB 1.457 39.642 38.000 0.308 0.000 1.235 316 I HN 0.412 nan 8.210 nan 0.000 0.423 317 R N 4.031 124.689 120.500 0.263 0.000 2.707 317 R HA 0.223 4.563 4.340 -0.000 0.000 0.270 317 R C 1.008 177.353 176.300 0.074 0.000 1.083 317 R CA -0.263 55.912 56.100 0.124 0.000 1.182 317 R CB 0.454 30.786 30.300 0.054 0.000 1.084 317 R HN 0.609 nan 8.270 nan 0.000 0.528 318 R N 0.967 121.414 120.500 -0.089 0.000 2.120 318 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 318 R C 0.129 176.459 176.300 0.050 0.000 1.123 318 R CA 1.498 57.507 56.100 -0.152 0.000 0.975 318 R CB 0.009 30.175 30.300 -0.224 0.000 0.866 318 R HN 0.624 nan 8.270 nan 0.000 0.446 319 A N 1.661 124.501 122.820 0.033 0.000 2.527 319 A HA 0.113 4.433 4.320 -0.000 0.000 0.313 319 A C -0.227 177.411 177.584 0.090 0.000 1.410 319 A CA -0.382 51.683 52.037 0.046 0.000 1.060 319 A CB 0.340 19.356 19.000 0.027 0.000 1.137 319 A HN 0.438 nan 8.150 nan 0.000 0.542 320 Q N 1.615 121.471 119.800 0.093 0.000 2.294 320 Q HA -0.063 4.277 4.340 -0.000 0.000 0.207 320 Q C 0.523 176.598 176.000 0.125 0.000 0.887 320 Q CA 0.244 56.119 55.803 0.120 0.000 0.987 320 Q CB -0.247 28.525 28.738 0.057 0.000 1.101 320 Q HN 0.861 nan 8.270 nan 0.000 0.447 321 N N -0.904 117.872 118.700 0.127 0.000 2.187 321 N HA -0.050 4.690 4.740 -0.000 0.000 0.212 321 N C -1.016 174.580 175.510 0.142 0.000 1.152 321 N CA -0.188 52.924 53.050 0.103 0.000 0.872 321 N CB 0.350 38.876 38.487 0.066 0.000 1.025 321 N HN 0.192 nan 8.380 nan 0.000 0.514 322 Y N 0.595 120.924 120.300 0.049 0.000 2.322 322 Y HA 0.591 5.141 4.550 -0.000 0.000 0.324 322 Y C -1.120 174.822 175.900 0.070 0.000 1.027 322 Y CA -1.228 56.900 58.100 0.047 0.000 1.179 322 Y CB 1.383 39.862 38.460 0.031 0.000 1.136 322 Y HN 0.002 nan 8.280 nan 0.000 0.449 323 S N 6.518 122.197 115.700 -0.035 0.000 2.566 323 S HA 0.809 5.279 4.470 -0.000 0.000 0.298 323 S C -1.591 172.988 174.600 -0.035 0.000 1.083 323 S CA -0.634 57.611 58.200 0.075 0.000 0.978 323 S CB 1.038 64.268 63.200 0.050 0.000 1.073 323 S HN 0.724 nan 8.310 nan 0.000 0.491 324 I N 3.491 124.129 120.570 0.113 0.000 2.692 324 I HA 0.511 4.681 4.170 -0.000 0.000 0.293 324 I C -1.598 174.591 176.117 0.119 0.000 1.200 324 I CA -0.886 60.468 61.300 0.091 0.000 1.036 324 I CB 1.549 39.648 38.000 0.165 0.000 1.258 324 I HN 0.663 nan 8.210 nan 0.000 0.421 325 I N 5.848 126.456 120.570 0.062 0.000 2.359 325 I HA 0.307 4.476 4.170 -0.000 0.000 0.294 325 I C -1.037 175.131 176.117 0.084 0.000 0.987 325 I CA -0.257 61.057 61.300 0.023 0.000 1.225 325 I CB 1.489 39.434 38.000 -0.090 0.000 1.366 325 I HN 0.458 nan 8.210 nan 0.000 0.466 326 D N 7.484 127.919 120.400 0.060 0.000 2.481 326 D HA 0.435 5.075 4.640 -0.000 0.000 0.246 326 D C -0.741 175.554 176.300 -0.008 0.000 1.109 326 D CA -0.295 53.738 54.000 0.055 0.000 0.845 326 D CB 1.182 42.044 40.800 0.103 0.000 1.160 326 D HN 0.254 nan 8.370 nan 0.000 0.534 327 I N 4.098 124.684 120.570 0.027 0.000 2.306 327 I HA 0.282 4.451 4.170 -0.000 0.000 0.288 327 I C -0.234 175.895 176.117 0.020 0.000 1.036 327 I CA -0.724 60.571 61.300 -0.008 0.000 1.221 327 I CB 0.845 38.892 38.000 0.079 0.000 1.385 327 I HN 0.253 nan 8.210 nan 0.000 0.472 328 C N 4.524 123.831 119.300 0.012 0.000 2.350 328 C HA 0.428 4.888 4.460 -0.000 0.000 0.348 328 C C 0.087 175.213 174.990 0.228 0.000 1.260 328 C CA -0.652 58.438 59.018 0.121 0.000 1.966 328 C CB 0.599 28.438 27.740 0.165 0.000 2.380 328 C HN 0.588 nan 8.230 nan 0.000 0.535 329 D N 0.532 121.030 120.400 0.163 0.000 2.256 329 D HA 0.231 4.871 4.640 -0.000 0.000 0.246 329 D C -0.676 175.545 176.300 -0.131 0.000 1.042 329 D CA -0.212 53.842 54.000 0.091 0.000 0.841 329 D CB 1.295 42.110 40.800 0.025 0.000 1.223 329 D HN 0.599 nan 8.370 nan 0.000 0.470 330 Y N 1.628 121.577 120.300 -0.585 0.000 2.402 330 Y HA 0.136 4.685 4.550 -0.000 0.000 0.333 330 Y C -0.020 175.551 175.900 -0.548 0.000 1.076 330 Y CA -0.155 57.281 58.100 -1.107 0.000 1.299 330 Y CB 0.662 38.294 38.460 -1.380 0.000 1.197 330 Y HN 0.137 nan 8.280 nan 0.000 0.517 331 D N 5.369 125.154 120.400 -1.025 0.000 2.412 331 D HA 0.114 4.754 4.640 -0.000 0.000 0.224 331 D C 0.442 176.176 176.300 -0.944 0.000 1.093 331 D CA -0.095 53.478 54.000 -0.712 0.000 0.850 331 D CB 0.777 41.277 40.800 -0.500 0.000 1.046 331 D HN 0.798 nan 8.370 nan 0.000 0.507 332 E N 1.267 121.109 120.200 -0.596 0.000 2.209 332 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 332 E C 1.523 177.980 176.600 -0.238 0.000 0.993 332 E CA 1.100 57.285 56.400 -0.359 0.000 0.819 332 E CB 0.162 29.837 29.700 -0.042 0.000 0.745 332 E HN 0.541 nan 8.360 nan 0.000 0.477 333 S N -0.387 115.182 115.700 -0.220 0.000 2.527 333 S HA -0.037 4.432 4.470 -0.000 0.000 0.222 333 S C 1.772 176.290 174.600 -0.136 0.000 0.985 333 S CA 1.054 59.174 58.200 -0.132 0.000 0.921 333 S CB 0.131 63.272 63.200 -0.099 0.000 0.772 333 S HN 0.294 nan 8.310 nan 0.000 0.529 334 T N -4.782 109.636 114.554 -0.226 0.000 3.009 334 T HA 0.533 4.883 4.350 -0.000 0.000 0.267 334 T C 1.533 176.117 174.700 -0.193 0.000 0.942 334 T CA 0.630 62.627 62.100 -0.172 0.000 0.883 334 T CB 0.054 68.825 68.868 -0.162 0.000 1.192 334 T HN 1.120 nan 8.240 nan 0.000 0.524 335 G N 2.341 110.909 108.800 -0.387 0.000 2.184 335 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.264 335 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.264 335 G C 0.245 174.912 174.900 -0.389 0.000 0.975 335 G CA 0.096 45.047 45.100 -0.248 0.000 0.642 335 G HN 0.713 nan 8.290 nan 0.000 0.536 336 R N -1.150 118.974 120.500 -0.628 0.000 2.615 336 R HA 0.432 4.772 4.340 -0.000 0.000 0.270 336 R C -0.627 175.073 176.300 -1.001 0.000 1.081 336 R CA -0.047 55.459 56.100 -0.990 0.000 1.154 336 R CB 0.497 30.419 30.300 -0.629 0.000 1.063 336 R HN 0.220 nan 8.270 nan 0.000 0.519 337 W N 2.016 122.798 121.300 -0.863 0.000 2.362 337 W HA 0.421 5.080 4.660 -0.001 0.000 0.316 337 W C -0.362 176.049 176.519 -0.181 0.000 1.024 337 W CA -0.308 56.867 57.345 -0.283 0.000 1.270 337 W CB 0.777 30.195 29.460 -0.071 0.000 1.273 337 W HN 0.289 nan 8.180 nan 0.000 0.424 338 I N 3.252 123.811 120.570 -0.019 0.000 2.385 338 I HA 0.341 4.511 4.170 -0.000 0.000 0.294 338 I C 0.471 176.618 176.117 0.049 0.000 0.988 338 I CA -0.379 60.923 61.300 0.003 0.000 1.265 338 I CB 1.262 39.220 38.000 -0.070 0.000 1.388 338 I HN 0.200 nan 8.210 nan 0.000 0.480 339 S N 3.471 119.201 115.700 0.049 0.000 2.690 339 S HA 0.720 5.190 4.470 -0.000 0.000 0.291 339 S C -0.416 174.189 174.600 0.008 0.000 1.138 339 S CA -0.716 57.504 58.200 0.033 0.000 1.013 339 S CB 1.745 64.959 63.200 0.022 0.000 1.053 339 S HN 0.751 nan 8.310 nan 0.000 0.539 340 S N -0.292 115.408 115.700 0.000 0.000 2.543 340 S HA 0.335 4.804 4.470 -0.000 0.000 0.273 340 S C 0.404 174.988 174.600 -0.028 0.000 1.152 340 S CA -0.799 57.394 58.200 -0.012 0.000 0.910 340 S CB 0.729 63.926 63.200 -0.005 0.000 1.105 340 S HN 0.250 nan 8.310 nan 0.000 0.465 341 V N 2.152 122.045 119.914 -0.035 0.000 2.453 341 V HA -0.217 3.903 4.120 -0.000 0.000 0.252 341 V C 2.892 178.941 176.094 -0.076 0.000 1.068 341 V CA 2.698 64.967 62.300 -0.051 0.000 1.070 341 V CB -1.349 30.450 31.823 -0.040 0.000 0.664 341 V HN 1.063 nan 8.190 nan 0.000 0.461 342 A N -0.800 121.986 122.820 -0.056 0.000 2.121 342 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 342 A C 2.263 179.796 177.584 -0.086 0.000 1.154 342 A CA 1.282 53.283 52.037 -0.059 0.000 0.679 342 A CB -0.379 18.610 19.000 -0.019 0.000 0.795 342 A HN 0.497 nan 8.150 nan 0.000 0.458 343 R N -0.521 119.936 120.500 -0.071 0.000 2.393 343 R HA 0.165 4.505 4.340 -0.000 0.000 0.244 343 R C -0.335 175.893 176.300 -0.120 0.000 0.920 343 R CA 0.004 56.093 56.100 -0.018 0.000 1.076 343 R CB 0.266 30.606 30.300 0.067 0.000 1.119 343 R HN 0.600 nan 8.270 nan 0.000 0.524 344 Q N -0.103 119.536 119.800 -0.269 0.000 2.256 344 Q HA 0.252 4.592 4.340 -0.000 0.000 0.257 344 Q C -1.154 174.578 176.000 -0.446 0.000 0.936 344 Q CA -0.501 55.177 55.803 -0.209 0.000 0.903 344 Q CB 1.934 30.618 28.738 -0.090 0.000 1.263 344 Q HN 0.217 nan 8.270 nan 0.000 0.440 345 H N 1.283 120.366 119.070 0.022 0.000 2.800 345 H HA 0.386 4.941 4.556 -0.000 0.000 0.322 345 H C -0.721 174.584 175.328 -0.038 0.000 0.979 345 H CA -0.421 55.637 56.048 0.016 0.000 1.277 345 H CB 0.901 30.668 29.762 0.008 0.000 1.484 345 H HN 0.449 nan 8.280 nan 0.000 0.512 346 I N 2.479 123.063 120.570 0.024 0.000 2.371 346 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 346 I C 0.287 176.330 176.117 -0.123 0.000 1.028 346 I CA 0.030 61.258 61.300 -0.120 0.000 1.345 346 I CB 0.864 38.759 38.000 -0.175 0.000 1.407 346 I HN 0.608 nan 8.210 nan 0.000 0.501 347 E N 8.477 128.559 120.200 -0.196 0.000 2.155 347 E HA 0.570 4.920 4.350 -0.000 0.000 0.264 347 E C -1.160 175.319 176.600 -0.201 0.000 0.886 347 E CA -0.643 55.682 56.400 -0.124 0.000 0.752 347 E CB 1.525 31.192 29.700 -0.053 0.000 1.133 347 E HN 0.658 nan 8.360 nan 0.000 0.414 348 I N 0.578 121.060 120.570 -0.147 0.000 3.108 348 I HA 0.686 4.856 4.170 -0.000 0.000 0.312 348 I C -1.083 175.011 176.117 -0.039 0.000 1.095 348 I CA -0.831 60.402 61.300 -0.111 0.000 1.000 348 I CB 2.400 40.337 38.000 -0.105 0.000 1.229 348 I HN 0.364 nan 8.210 nan 0.000 0.454 349 S N 0.965 116.655 115.700 -0.017 0.000 2.594 349 S HA 0.449 4.918 4.470 -0.000 0.000 0.296 349 S C 0.369 174.960 174.600 -0.015 0.000 1.124 349 S CA 0.052 58.240 58.200 -0.020 0.000 1.011 349 S CB 1.293 64.461 63.200 -0.053 0.000 1.016 349 S HN 0.881 nan 8.310 nan 0.000 0.485 350 T N 0.444 114.994 114.554 -0.007 0.000 3.037 350 T HA 0.040 4.390 4.350 -0.000 0.000 0.251 350 T C 1.563 176.258 174.700 -0.009 0.000 1.079 350 T CA 0.913 63.011 62.100 -0.003 0.000 1.067 350 T CB -0.411 68.458 68.868 0.002 0.000 0.948 350 T HN 0.676 nan 8.240 nan 0.000 0.496 351 T N -1.928 112.629 114.554 0.005 0.000 3.037 351 T HA 0.586 4.936 4.350 -0.000 0.000 0.252 351 T C 1.265 175.901 174.700 -0.107 0.000 1.073 351 T CA 0.429 62.551 62.100 0.037 0.000 1.091 351 T CB 0.286 69.237 68.868 0.139 0.000 0.935 351 T HN 0.585 nan 8.240 nan 0.000 0.488 352 G N 0.513 109.076 108.800 -0.395 0.000 3.206 352 G HA2 0.474 4.434 3.960 -0.000 0.000 0.146 352 G HA3 0.474 4.434 3.960 -0.000 0.000 0.146 352 G C -1.649 173.008 174.900 -0.405 0.000 1.214 352 G CA -0.453 44.194 45.100 -0.756 0.000 1.297 352 G HN 0.530 nan 8.290 nan 0.000 0.659 353 W N 0.110 121.078 121.300 -0.554 0.000 2.578 353 W HA 0.800 5.460 4.660 -0.000 0.000 0.364 353 W C -0.519 175.925 176.519 -0.126 0.000 1.144 353 W CA -1.393 55.791 57.345 -0.267 0.000 1.242 353 W CB 1.084 30.365 29.460 -0.300 0.000 1.382 353 W HN 0.270 nan 8.180 nan 0.000 0.625 354 V N 3.454 123.429 119.914 0.101 0.000 2.461 354 V HA 0.616 4.735 4.120 -0.000 0.000 0.275 354 V C 0.932 177.095 176.094 0.114 0.000 1.047 354 V CA 0.802 63.130 62.300 0.045 0.000 0.955 354 V CB -0.005 31.855 31.823 0.063 0.000 0.988 354 V HN 1.287 nan 8.190 nan 0.000 0.471 355 G N 5.751 114.566 108.800 0.025 0.000 2.693 355 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 355 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 355 G C 0.425 175.389 174.900 0.108 0.000 1.354 355 G CA 0.459 45.598 45.100 0.065 0.000 0.873 355 G HN 0.623 nan 8.290 nan 0.000 0.562 356 R N -1.543 119.032 120.500 0.124 0.000 2.041 356 R HA 0.325 4.665 4.340 -0.000 0.000 0.221 356 R C 2.112 178.393 176.300 -0.031 0.000 1.196 356 R CA 1.695 57.827 56.100 0.053 0.000 0.969 356 R CB -0.103 30.204 30.300 0.012 0.000 0.858 356 R HN 0.391 nan 8.270 nan 0.000 0.444 357 F N 0.163 120.256 119.950 0.238 0.000 2.706 357 F HA 0.306 4.832 4.527 -0.000 0.000 0.313 357 F C 0.350 176.211 175.800 0.101 0.000 1.096 357 F CA -0.342 57.758 58.000 0.168 0.000 1.219 357 F CB 0.725 39.838 39.000 0.187 0.000 1.051 357 F HN -0.017 nan 8.300 nan 0.000 0.568 358 R N -0.860 119.794 120.500 0.258 0.000 2.828 358 R HA 0.282 4.622 4.340 -0.000 0.000 0.280 358 R C -3.433 172.959 176.300 0.153 0.000 1.020 358 R CA -1.554 54.651 56.100 0.174 0.000 0.855 358 R CB 0.279 30.674 30.300 0.158 0.000 1.278 358 R HN -0.342 nan 8.270 nan 0.000 0.495 359 P HA 0.084 nan 4.420 nan 0.000 0.268 359 P C -0.138 177.207 177.300 0.076 0.000 1.205 359 P CA 0.081 63.229 63.100 0.080 0.000 0.771 359 P CB 0.731 32.462 31.700 0.050 0.000 0.858 360 A N 3.477 126.344 122.820 0.078 0.000 2.507 360 A HA 0.048 4.368 4.320 -0.000 0.000 0.235 360 A C 0.504 178.123 177.584 0.058 0.000 1.070 360 A CA 0.039 52.135 52.037 0.098 0.000 0.768 360 A CB -0.282 18.784 19.000 0.110 0.000 1.011 360 A HN 0.574 nan 8.150 nan 0.000 0.502 361 E N 1.837 122.083 120.200 0.078 0.000 2.283 361 E HA 0.359 4.708 4.350 -0.000 0.000 0.271 361 E C -2.368 174.212 176.600 -0.033 0.000 1.031 361 E CA -1.792 54.593 56.400 -0.025 0.000 0.868 361 E CB 0.984 30.644 29.700 -0.066 0.000 1.094 361 E HN 0.525 nan 8.360 nan 0.000 0.401 362 P HA 0.094 nan 4.420 nan 0.000 0.279 362 P C -1.044 176.090 177.300 -0.276 0.000 1.239 362 P CA 0.002 62.938 63.100 -0.273 0.000 0.789 362 P CB 0.785 32.004 31.700 -0.801 0.000 0.933 363 H N 2.843 121.907 119.070 -0.011 0.000 2.718 363 H HA 0.281 4.837 4.556 -0.000 0.000 0.295 363 H C -0.155 175.266 175.328 0.155 0.000 1.051 363 H CA -0.367 55.766 56.048 0.141 0.000 1.260 363 H CB 0.261 30.130 29.762 0.179 0.000 1.403 363 H HN 0.312 nan 8.280 nan 0.000 0.488 364 F N 1.764 121.873 119.950 0.265 0.000 2.382 364 F HA 0.061 4.588 4.527 -0.000 0.000 0.331 364 F C 1.595 177.570 175.800 0.292 0.000 1.121 364 F CA -0.474 57.699 58.000 0.288 0.000 1.183 364 F CB 0.900 39.995 39.000 0.159 0.000 1.207 364 F HN 0.355 nan 8.300 nan 0.000 0.555 365 T N -1.714 113.122 114.554 0.471 0.000 2.860 365 T HA 0.033 4.383 4.350 -0.000 0.000 0.299 365 T C 1.302 176.186 174.700 0.307 0.000 1.045 365 T CA -0.296 62.019 62.100 0.358 0.000 1.071 365 T CB 1.164 70.219 68.868 0.312 0.000 0.985 365 T HN 0.629 nan 8.240 nan 0.000 0.537 366 S N 0.637 116.475 115.700 0.230 0.000 2.420 366 S HA -0.167 4.302 4.470 -0.000 0.000 0.237 366 S C 1.593 176.299 174.600 0.176 0.000 1.023 366 S CA 1.738 60.051 58.200 0.187 0.000 0.991 366 S CB -0.810 62.477 63.200 0.145 0.000 0.792 366 S HN 0.878 nan 8.310 nan 0.000 0.488 367 D N -1.277 119.232 120.400 0.182 0.000 2.346 367 D HA 0.152 4.792 4.640 -0.000 0.000 0.206 367 D C 1.510 177.920 176.300 0.184 0.000 1.001 367 D CA 0.913 55.010 54.000 0.161 0.000 0.871 367 D CB -0.480 40.404 40.800 0.140 0.000 0.943 367 D HN 0.549 nan 8.370 nan 0.000 0.518 368 G N 1.452 110.403 108.800 0.251 0.000 2.179 368 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 368 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 368 G C 0.780 175.881 174.900 0.334 0.000 0.977 368 G CA 0.409 45.688 45.100 0.297 0.000 0.641 368 G HN 0.421 nan 8.290 nan 0.000 0.533 369 N N 0.160 119.018 118.700 0.264 0.000 2.463 369 N HA 0.289 5.029 4.740 -0.000 0.000 0.181 369 N C 0.970 176.609 175.510 0.216 0.000 1.078 369 N CA 0.940 54.121 53.050 0.218 0.000 0.902 369 N CB 0.190 38.767 38.487 0.150 0.000 0.970 369 N HN 0.741 nan 8.380 nan 0.000 0.451 370 S N -0.536 115.314 115.700 0.251 0.000 2.638 370 S HA 0.710 5.179 4.470 -0.000 0.000 0.274 370 S C -1.222 173.444 174.600 0.111 0.000 1.157 370 S CA -1.103 57.148 58.200 0.085 0.000 0.826 370 S CB 1.441 64.651 63.200 0.017 0.000 1.139 370 S HN 0.158 nan 8.310 nan 0.000 0.474 371 F N -1.876 117.884 119.950 -0.316 0.000 2.686 371 F HA 0.825 5.351 4.527 -0.000 0.000 0.311 371 F C -2.291 173.265 175.800 -0.407 0.000 1.128 371 F CA -1.508 56.213 58.000 -0.465 0.000 0.946 371 F CB 0.610 38.817 39.000 -1.323 0.000 1.336 371 F HN 0.597 nan 8.300 nan 0.000 0.457 372 Y N 1.298 121.690 120.300 0.154 0.000 2.377 372 Y HA 0.698 5.247 4.550 -0.000 0.000 0.339 372 Y C -0.267 175.771 175.900 0.231 0.000 1.011 372 Y CA -0.930 57.254 58.100 0.140 0.000 1.093 372 Y CB 2.134 40.633 38.460 0.065 0.000 1.201 372 Y HN 0.773 nan 8.280 nan 0.000 0.455 373 K N 2.921 123.518 120.400 0.329 0.000 2.542 373 K HA 0.550 4.869 4.320 -0.000 0.000 0.259 373 K C -1.770 174.958 176.600 0.213 0.000 0.932 373 K CA -0.581 55.865 56.287 0.264 0.000 0.820 373 K CB 1.644 34.246 32.500 0.170 0.000 1.345 373 K HN 0.723 nan 8.250 nan 0.000 0.432 374 I N 5.722 126.387 120.570 0.159 0.000 2.529 374 I HA 0.292 4.462 4.170 -0.000 0.000 0.284 374 I C 0.210 176.408 176.117 0.136 0.000 1.082 374 I CA -0.222 61.155 61.300 0.129 0.000 1.406 374 I CB 0.502 38.552 38.000 0.083 0.000 1.405 374 I HN 0.511 nan 8.210 nan 0.000 0.548 375 I N 0.861 121.537 120.570 0.176 0.000 3.102 375 I HA 0.478 4.648 4.170 -0.000 0.000 0.310 375 I C -0.597 175.634 176.117 0.190 0.000 1.246 375 I CA -0.882 60.516 61.300 0.164 0.000 0.979 375 I CB 2.058 40.171 38.000 0.190 0.000 1.267 375 I HN 0.247 nan 8.210 nan 0.000 0.451 376 S N 2.572 118.331 115.700 0.098 0.000 2.548 376 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 376 S C 0.107 174.765 174.600 0.096 0.000 1.315 376 S CA -0.463 57.750 58.200 0.021 0.000 1.050 376 S CB 0.189 63.336 63.200 -0.088 0.000 0.918 376 S HN 0.556 nan 8.310 nan 0.000 0.497 377 N N 1.915 120.582 118.700 -0.055 0.000 2.263 377 N HA 0.079 4.819 4.740 -0.000 0.000 0.239 377 N C 0.935 176.389 175.510 -0.094 0.000 1.317 377 N CA -0.213 52.696 53.050 -0.235 0.000 0.909 377 N CB 0.201 38.477 38.487 -0.352 0.000 1.171 377 N HN 0.511 nan 8.380 nan 0.000 0.492 378 E N 0.201 120.336 120.200 -0.107 0.000 2.427 378 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 378 E C 0.704 177.261 176.600 -0.072 0.000 1.028 378 E CA 0.581 56.949 56.400 -0.054 0.000 0.864 378 E CB 0.028 29.702 29.700 -0.043 0.000 0.813 378 E HN 0.596 nan 8.360 nan 0.000 0.514 379 E N -0.624 119.523 120.200 -0.088 0.000 2.474 379 E HA 0.081 4.431 4.350 -0.000 0.000 0.195 379 E C 0.743 177.313 176.600 -0.051 0.000 1.039 379 E CA 0.463 56.847 56.400 -0.026 0.000 0.881 379 E CB 0.066 29.777 29.700 0.018 0.000 0.970 379 E HN 0.237 nan 8.360 nan 0.000 0.486 380 G N 0.508 109.223 108.800 -0.142 0.000 2.179 380 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 380 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 380 G C -0.313 174.336 174.900 -0.418 0.000 0.977 380 G CA 0.518 45.437 45.100 -0.301 0.000 0.641 380 G HN 0.297 nan 8.290 nan 0.000 0.533 381 Y N 0.881 121.058 120.300 -0.206 0.000 2.323 381 Y HA 0.536 5.086 4.550 -0.000 0.000 0.331 381 Y C 0.980 176.747 175.900 -0.221 0.000 1.092 381 Y CA -0.613 57.357 58.100 -0.217 0.000 1.150 381 Y CB 1.123 39.473 38.460 -0.182 0.000 1.200 381 Y HN -0.023 nan 8.280 nan 0.000 0.472 382 K N 4.595 124.890 120.400 -0.175 0.000 2.349 382 K HA 0.215 4.535 4.320 -0.000 0.000 0.289 382 K C -0.750 175.594 176.600 -0.426 0.000 1.064 382 K CA -0.069 56.104 56.287 -0.190 0.000 0.947 382 K CB 0.195 32.609 32.500 -0.143 0.000 1.007 382 K HN 0.645 nan 8.250 nan 0.000 0.478 383 H N 1.447 120.480 119.070 -0.062 0.000 2.949 383 H HA 0.317 4.872 4.556 -0.000 0.000 0.356 383 H C -0.151 175.238 175.328 0.102 0.000 1.212 383 H CA -0.953 55.036 56.048 -0.099 0.000 1.136 383 H CB 1.482 31.063 29.762 -0.301 0.000 1.869 383 H HN 0.340 nan 8.280 nan 0.000 0.556 384 I N 1.666 122.305 120.570 0.115 0.000 2.494 384 I HA -0.028 4.142 4.170 -0.000 0.000 0.289 384 I C 0.491 176.653 176.117 0.076 0.000 1.106 384 I CA 0.283 61.623 61.300 0.066 0.000 1.369 384 I CB 0.004 37.950 38.000 -0.090 0.000 1.410 384 I HN 0.143 nan 8.210 nan 0.000 0.523 385 c N 7.067 125.649 118.600 -0.030 0.000 2.358 385 c HA 0.291 4.861 4.570 -0.000 0.000 0.342 385 c C 0.231 174.170 174.090 -0.251 0.000 1.234 385 c CA -0.390 55.688 56.329 -0.418 0.000 1.969 385 c CB 0.522 42.516 42.510 -0.860 0.000 2.346 385 c HN 0.726 nan 8.230 nan 0.000 0.525 386 H N 3.853 122.588 119.070 -0.559 0.000 2.517 386 H HA 0.497 5.053 4.556 -0.000 0.000 0.317 386 H C -1.360 173.474 175.328 -0.824 0.000 1.080 386 H CA -0.287 55.374 56.048 -0.644 0.000 1.301 386 H CB 0.553 30.038 29.762 -0.461 0.000 1.425 386 H HN 0.577 nan 8.280 nan 0.000 0.471 387 F N 2.415 121.646 119.950 -1.198 0.000 2.522 387 F HA 0.170 4.696 4.527 -0.000 0.000 0.324 387 F C 0.092 175.204 175.800 -1.147 0.000 1.077 387 F CA -0.909 56.328 58.000 -1.272 0.000 0.944 387 F CB 1.903 39.775 39.000 -1.881 0.000 1.175 387 F HN 0.507 nan 8.300 nan 0.000 0.468 388 Q N 0.744 120.235 119.800 -0.516 0.000 2.278 388 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 388 Q C 0.878 176.869 176.000 -0.014 0.000 0.928 388 Q CA 0.119 55.762 55.803 -0.266 0.000 0.932 388 Q CB 1.626 30.256 28.738 -0.179 0.000 1.221 388 Q HN 0.771 nan 8.270 nan 0.000 0.434 389 T N 2.269 116.901 114.554 0.130 0.000 2.760 389 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 389 T C 0.185 175.137 174.700 0.421 0.000 1.047 389 T CA 1.945 64.281 62.100 0.394 0.000 1.139 389 T CB -0.081 69.038 68.868 0.418 0.000 0.855 389 T HN 0.777 nan 8.240 nan 0.000 0.471 390 D N -0.804 119.738 120.400 0.237 0.000 2.501 390 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 390 D C 0.150 176.504 176.300 0.090 0.000 1.202 390 D CA -0.315 53.774 54.000 0.149 0.000 0.829 390 D CB 0.317 41.173 40.800 0.093 0.000 1.023 390 D HN 0.028 nan 8.370 nan 0.000 0.499 391 K N 0.066 120.540 120.400 0.123 0.000 2.318 391 K HA 0.345 4.665 4.320 -0.000 0.000 0.249 391 K C 0.528 177.194 176.600 0.111 0.000 0.942 391 K CA -0.454 55.864 56.287 0.051 0.000 0.808 391 K CB 1.988 34.479 32.500 -0.014 0.000 1.189 391 K HN 0.034 nan 8.250 nan 0.000 0.428 392 S N -0.171 115.557 115.700 0.047 0.000 2.524 392 S HA -0.064 4.406 4.470 -0.000 0.000 0.216 392 S C 0.429 175.060 174.600 0.052 0.000 0.987 392 S CA -0.181 58.074 58.200 0.092 0.000 0.909 392 S CB -0.552 62.658 63.200 0.017 0.000 0.781 392 S HN 0.709 nan 8.310 nan 0.000 0.521 393 N N 1.136 119.801 118.700 -0.058 0.000 2.479 393 N HA 0.527 5.267 4.740 -0.000 0.000 0.285 393 N C -0.179 175.115 175.510 -0.360 0.000 1.075 393 N CA -0.720 52.230 53.050 -0.167 0.000 0.967 393 N CB 1.222 39.627 38.487 -0.135 0.000 1.137 393 N HN 0.429 nan 8.380 nan 0.000 0.472 394 c N -0.110 118.137 118.600 -0.589 0.000 2.595 394 c HA 0.771 5.341 4.570 -0.000 0.000 0.338 394 c C -0.277 173.399 174.090 -0.690 0.000 1.219 394 c CA -0.635 55.115 56.329 -0.965 0.000 1.811 394 c CB 1.122 42.385 42.510 -2.078 0.000 2.313 394 c HN 0.725 nan 8.230 nan 0.000 0.499 395 T N 2.044 116.231 114.554 -0.612 0.000 2.809 395 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 395 T C -0.743 173.757 174.700 -0.333 0.000 0.992 395 T CA 0.121 62.021 62.100 -0.334 0.000 0.957 395 T CB 0.387 69.204 68.868 -0.086 0.000 0.942 395 T HN 0.489 nan 8.240 nan 0.000 0.439 396 F N 3.569 123.396 119.950 -0.204 0.000 2.543 396 F HA 0.221 4.748 4.527 -0.000 0.000 0.375 396 F C 1.628 177.272 175.800 -0.259 0.000 1.075 396 F CA -0.773 57.098 58.000 -0.216 0.000 1.225 396 F CB 0.365 39.243 39.000 -0.204 0.000 1.099 396 F HN 0.572 nan 8.300 nan 0.000 0.561 397 I N -0.175 120.293 120.570 -0.170 0.000 4.018 397 I HA 0.257 4.426 4.170 -0.000 0.000 0.337 397 I C 0.015 176.000 176.117 -0.221 0.000 1.327 397 I CA 0.062 61.081 61.300 -0.470 0.000 1.100 397 I CB -0.052 37.340 38.000 -1.014 0.000 1.025 397 I HN 0.487 nan 8.210 nan 0.000 0.396 398 T N -0.078 114.395 114.554 -0.136 0.000 2.903 398 T HA 0.714 5.063 4.350 -0.000 0.000 0.299 398 T C -0.779 173.583 174.700 -0.564 0.000 1.093 398 T CA -0.661 61.349 62.100 -0.150 0.000 1.002 398 T CB 2.824 71.674 68.868 -0.029 0.000 1.127 398 T HN 0.341 nan 8.240 nan 0.000 0.488 399 K N 0.043 119.956 120.400 -0.811 0.000 2.658 399 K HA 0.784 5.104 4.320 -0.000 0.000 0.293 399 K C -0.413 175.596 176.600 -0.985 0.000 1.026 399 K CA -0.394 55.064 56.287 -1.381 0.000 0.871 399 K CB 1.253 33.319 32.500 -0.724 0.000 1.524 399 K HN 1.957 nan 8.250 nan 0.000 0.400 400 G N -0.860 107.370 108.800 -0.949 0.000 2.334 400 G HA2 0.404 4.363 3.960 -0.000 0.000 0.566 400 G HA3 0.404 4.363 3.960 -0.000 0.000 0.566 400 G C -1.079 173.303 174.900 -0.863 0.000 1.413 400 G CA -0.251 44.493 45.100 -0.592 0.000 0.993 400 G HN 1.033 nan 8.290 nan 0.000 0.642 401 A N 1.234 123.691 122.820 -0.605 0.000 3.074 401 A HA 0.607 4.927 4.320 -0.000 0.000 0.251 401 A C 0.444 177.791 177.584 -0.395 0.000 1.695 401 A CA 0.708 52.123 52.037 -1.038 0.000 1.343 401 A CB -1.168 17.508 19.000 -0.539 0.000 1.078 401 A HN 1.655 nan 8.150 nan 0.000 0.644 402 W N -1.035 120.098 121.300 -0.278 0.000 2.940 402 W HA 0.716 5.376 4.660 -0.000 0.000 0.394 402 W C -0.966 175.538 176.519 -0.024 0.000 1.155 402 W CA -0.787 56.545 57.345 -0.022 0.000 1.165 402 W CB 0.449 29.893 29.460 -0.027 0.000 1.492 402 W HN 0.220 nan 8.180 nan 0.000 0.593 403 E N 0.566 120.926 120.200 0.266 0.000 2.367 403 E HA 0.450 4.800 4.350 -0.000 0.000 0.273 403 E C -1.296 175.390 176.600 0.143 0.000 0.903 403 E CA -1.086 55.252 56.400 -0.102 0.000 0.764 403 E CB 3.343 33.041 29.700 -0.003 0.000 1.252 403 E HN 0.134 nan 8.360 nan 0.000 0.446 404 V N 3.168 123.029 119.914 -0.088 0.000 2.546 404 V HA 0.055 4.175 4.120 -0.000 0.000 0.284 404 V C 1.026 177.200 176.094 0.133 0.000 1.050 404 V CA -0.138 62.223 62.300 0.102 0.000 0.981 404 V CB 0.857 32.634 31.823 -0.076 0.000 0.990 404 V HN 0.670 nan 8.190 nan 0.000 0.474 405 I N 2.599 123.290 120.570 0.202 0.000 2.494 405 I HA 0.314 4.484 4.170 -0.000 0.000 0.250 405 I C 1.076 177.313 176.117 0.199 0.000 1.112 405 I CA 1.085 62.517 61.300 0.220 0.000 1.438 405 I CB -0.770 37.329 38.000 0.165 0.000 1.111 405 I HN 0.758 nan 8.210 nan 0.000 0.431 406 G N 0.741 109.651 108.800 0.183 0.000 2.579 406 G HA2 0.519 4.478 3.960 -0.000 0.000 0.292 406 G HA3 0.519 4.478 3.960 -0.000 0.000 0.292 406 G C -1.291 173.676 174.900 0.113 0.000 1.484 406 G CA -0.596 44.595 45.100 0.153 0.000 0.813 406 G HN -0.040 nan 8.290 nan 0.000 0.515 407 I N 1.703 122.246 120.570 -0.045 0.000 2.325 407 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 407 I C 0.929 176.968 176.117 -0.130 0.000 1.019 407 I CA -0.546 60.631 61.300 -0.204 0.000 1.302 407 I CB 1.725 39.306 38.000 -0.699 0.000 1.401 407 I HN 0.498 nan 8.210 nan 0.000 0.485 408 E N 4.737 124.944 120.200 0.011 0.000 2.102 408 E HA 0.217 4.567 4.350 -0.000 0.000 0.190 408 E C 0.282 176.862 176.600 -0.035 0.000 0.971 408 E CA 0.451 56.892 56.400 0.068 0.000 0.821 408 E CB 0.561 30.355 29.700 0.157 0.000 0.777 408 E HN 0.742 nan 8.360 nan 0.000 0.460 409 A N 0.114 122.824 122.820 -0.184 0.000 2.612 409 A HA 0.622 4.942 4.320 -0.000 0.000 0.293 409 A C -1.912 175.627 177.584 -0.076 0.000 1.075 409 A CA -0.605 51.286 52.037 -0.243 0.000 0.680 409 A CB 1.381 19.873 19.000 -0.847 0.000 1.279 409 A HN 0.047 nan 8.150 nan 0.000 0.411 410 L N 0.927 122.149 121.223 -0.002 0.000 2.493 410 L HA 0.803 5.143 4.340 -0.000 0.000 0.265 410 L C 0.025 176.937 176.870 0.070 0.000 0.954 410 L CA 0.524 55.385 54.840 0.035 0.000 0.844 410 L CB 2.192 44.292 42.059 0.068 0.000 1.302 410 L HN 1.271 nan 8.230 nan 0.000 0.405 411 T N -0.424 114.173 114.554 0.072 0.000 2.807 411 T HA 0.440 4.790 4.350 -0.000 0.000 0.277 411 T C 1.044 175.762 174.700 0.030 0.000 1.006 411 T CA 0.072 62.217 62.100 0.074 0.000 1.006 411 T CB 1.082 70.014 68.868 0.107 0.000 1.274 411 T HN 0.670 nan 8.240 nan 0.000 0.569 412 S N 0.212 115.923 115.700 0.017 0.000 2.383 412 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 412 S C 1.036 175.586 174.600 -0.084 0.000 1.030 412 S CA 1.429 59.626 58.200 -0.005 0.000 1.002 412 S CB -0.647 62.551 63.200 -0.004 0.000 0.829 412 S HN 0.757 nan 8.310 nan 0.000 0.467 413 D N -0.314 119.965 120.400 -0.200 0.000 2.394 413 D HA 0.219 4.859 4.640 -0.000 0.000 0.226 413 D C -0.017 176.002 176.300 -0.468 0.000 0.990 413 D CA 0.580 54.326 54.000 -0.422 0.000 0.902 413 D CB 0.097 40.448 40.800 -0.749 0.000 1.038 413 D HN 0.480 nan 8.370 nan 0.000 0.499 414 Y N -0.027 120.214 120.300 -0.099 0.000 2.562 414 Y HA 0.564 5.114 4.550 -0.000 0.000 0.343 414 Y C -0.266 175.470 175.900 -0.274 0.000 1.025 414 Y CA -1.240 56.721 58.100 -0.232 0.000 1.082 414 Y CB 2.534 40.766 38.460 -0.381 0.000 1.264 414 Y HN -0.264 nan 8.280 nan 0.000 0.478 415 L N 2.030 123.141 121.223 -0.188 0.000 2.385 415 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 415 L C -1.966 174.764 176.870 -0.234 0.000 0.990 415 L CA -0.631 54.085 54.840 -0.206 0.000 0.821 415 L CB 1.232 43.094 42.059 -0.329 0.000 1.279 415 L HN 0.609 nan 8.230 nan 0.000 0.412 416 Y N 4.618 124.827 120.300 -0.151 0.000 2.341 416 Y HA 0.567 5.116 4.550 -0.000 0.000 0.337 416 Y C -0.434 175.456 175.900 -0.016 0.000 1.014 416 Y CA -0.356 57.648 58.100 -0.160 0.000 1.111 416 Y CB 1.420 39.644 38.460 -0.394 0.000 1.194 416 Y HN 0.540 nan 8.280 nan 0.000 0.462 417 Y N 0.745 121.092 120.300 0.079 0.000 2.615 417 Y HA 0.802 5.352 4.550 -0.000 0.000 0.341 417 Y C -1.777 174.198 175.900 0.125 0.000 1.089 417 Y CA -1.812 56.325 58.100 0.063 0.000 1.049 417 Y CB 1.183 39.653 38.460 0.016 0.000 1.296 417 Y HN 0.286 nan 8.280 nan 0.000 0.470 418 I N 3.108 123.844 120.570 0.276 0.000 2.412 418 I HA 0.603 4.773 4.170 -0.000 0.000 0.296 418 I C -0.203 176.083 176.117 0.281 0.000 0.987 418 I CA -0.335 61.077 61.300 0.187 0.000 1.180 418 I CB 1.489 39.572 38.000 0.139 0.000 1.340 418 I HN 0.887 nan 8.210 nan 0.000 0.455 419 S N 3.895 119.706 115.700 0.184 0.000 2.638 419 S HA 0.454 4.924 4.470 -0.000 0.000 0.274 419 S C -0.408 174.226 174.600 0.056 0.000 1.157 419 S CA -0.798 57.502 58.200 0.168 0.000 0.826 419 S CB 1.985 65.286 63.200 0.169 0.000 1.139 419 S HN 0.602 nan 8.310 nan 0.000 0.474 420 N N -0.201 118.547 118.700 0.080 0.000 2.380 420 N HA 0.147 4.887 4.740 -0.000 0.000 0.255 420 N C 0.544 176.033 175.510 -0.034 0.000 1.158 420 N CA -0.266 52.795 53.050 0.018 0.000 0.878 420 N CB 0.280 38.778 38.487 0.017 0.000 1.138 420 N HN 0.827 nan 8.380 nan 0.000 0.509 421 E N 0.291 120.312 120.200 -0.298 0.000 2.047 421 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 421 E C -0.156 176.296 176.600 -0.247 0.000 0.987 421 E CA 0.401 56.402 56.400 -0.666 0.000 0.799 421 E CB -0.174 28.485 29.700 -1.736 0.000 0.752 421 E HN 0.490 nan 8.360 nan 0.000 0.449 422 H N 1.063 120.039 119.070 -0.157 0.000 3.195 422 H HA -0.081 4.475 4.556 -0.000 0.000 0.302 422 H C 0.113 175.413 175.328 -0.047 0.000 0.950 422 H CA 1.299 57.315 56.048 -0.055 0.000 1.398 422 H CB 0.174 29.938 29.762 0.004 0.000 1.377 422 H HN 0.121 nan 8.280 nan 0.000 0.572 423 K N 2.938 123.078 120.400 -0.435 0.000 3.193 423 K HA -0.216 4.104 4.320 -0.000 0.000 0.294 423 K C 1.021 177.574 176.600 -0.078 0.000 1.185 423 K CA 1.162 57.270 56.287 -0.299 0.000 0.866 423 K CB -1.408 30.886 32.500 -0.344 0.000 1.227 423 K HN 1.111 nan 8.250 nan 0.000 0.467 424 G N -0.264 108.510 108.800 -0.045 0.000 2.233 424 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.270 424 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.270 424 G C 0.067 174.999 174.900 0.053 0.000 1.011 424 G CA 0.799 45.932 45.100 0.056 0.000 0.762 424 G HN 0.321 nan 8.290 nan 0.000 0.511 425 M N 0.942 120.477 119.600 -0.107 0.000 2.094 425 M HA 0.196 4.676 4.480 -0.000 0.000 0.348 425 M C -0.950 175.118 176.300 -0.388 0.000 1.267 425 M CA -1.871 53.177 55.300 -0.420 0.000 1.125 425 M CB 1.468 33.858 32.600 -0.350 0.000 1.527 425 M HN -0.074 nan 8.290 nan 0.000 0.447 426 P HA -0.056 nan 4.420 nan 0.000 0.226 426 P C 0.960 178.120 177.300 -0.233 0.000 1.153 426 P CA 1.055 64.006 63.100 -0.248 0.000 0.777 426 P CB 0.123 31.723 31.700 -0.167 0.000 0.794 427 G N -0.527 108.066 108.800 -0.345 0.000 3.371 427 G HA2 0.335 4.294 3.960 -0.000 0.000 0.248 427 G HA3 0.335 4.294 3.960 -0.000 0.000 0.248 427 G C 0.576 175.470 174.900 -0.011 0.000 1.161 427 G CA -0.012 45.005 45.100 -0.139 0.000 0.796 427 G HN 0.403 nan 8.290 nan 0.000 0.539 428 G N -0.106 108.634 108.800 -0.101 0.000 2.454 428 G HA2 0.661 4.621 3.960 -0.000 0.000 0.329 428 G HA3 0.661 4.621 3.960 -0.000 0.000 0.329 428 G C -0.859 173.943 174.900 -0.163 0.000 1.177 428 G CA -0.777 44.300 45.100 -0.038 0.000 0.951 428 G HN 0.089 nan 8.290 nan 0.000 0.485 429 R N 1.191 121.568 120.500 -0.205 0.000 2.574 429 R HA 0.458 4.798 4.340 -0.000 0.000 0.288 429 R C -1.268 175.043 176.300 0.019 0.000 1.004 429 R CA -0.824 55.139 56.100 -0.227 0.000 0.895 429 R CB 2.253 32.174 30.300 -0.633 0.000 1.191 429 R HN 0.598 nan 8.270 nan 0.000 0.444 430 N N 1.468 120.204 118.700 0.060 0.000 2.329 430 N HA 0.308 5.047 4.740 -0.000 0.000 0.282 430 N C -1.405 174.069 175.510 -0.060 0.000 1.198 430 N CA -0.807 52.221 53.050 -0.036 0.000 0.790 430 N CB 2.652 41.043 38.487 -0.161 0.000 1.579 430 N HN 0.241 nan 8.380 nan 0.000 0.475 431 L N 2.239 123.262 121.223 -0.335 0.000 2.276 431 L HA 0.481 4.821 4.340 -0.000 0.000 0.286 431 L C -1.407 175.168 176.870 -0.492 0.000 1.061 431 L CA 0.019 54.682 54.840 -0.296 0.000 0.807 431 L CB -0.247 41.595 42.059 -0.361 0.000 1.177 431 L HN 0.397 nan 8.230 nan 0.000 0.429 432 Y N 4.160 124.118 120.300 -0.571 0.000 2.562 432 Y HA 0.672 5.222 4.550 -0.000 0.000 0.343 432 Y C -0.151 175.409 175.900 -0.568 0.000 1.025 432 Y CA -0.860 56.839 58.100 -0.669 0.000 1.082 432 Y CB 1.570 39.392 38.460 -1.063 0.000 1.264 432 Y HN 0.517 nan 8.280 nan 0.000 0.478 433 R N 2.754 123.070 120.500 -0.307 0.000 2.502 433 R HA 0.602 4.942 4.340 -0.000 0.000 0.300 433 R C -1.928 174.226 176.300 -0.243 0.000 0.984 433 R CA -0.549 55.268 56.100 -0.471 0.000 0.882 433 R CB 1.310 31.166 30.300 -0.739 0.000 1.180 433 R HN 0.889 nan 8.270 nan 0.000 0.444 434 I N 2.714 123.223 120.570 -0.101 0.000 2.460 434 I HA 0.272 4.441 4.170 -0.000 0.000 0.298 434 I C -0.481 175.701 176.117 0.108 0.000 0.989 434 I CA -0.690 60.646 61.300 0.061 0.000 1.173 434 I CB 1.911 40.009 38.000 0.162 0.000 1.338 434 I HN 0.635 nan 8.210 nan 0.000 0.456 435 Q N 5.012 124.921 119.800 0.182 0.000 2.295 435 Q HA 0.147 4.487 4.340 -0.000 0.000 0.259 435 Q C 0.502 176.599 176.000 0.161 0.000 0.976 435 Q CA -0.516 55.415 55.803 0.213 0.000 0.923 435 Q CB 1.524 30.364 28.738 0.170 0.000 1.185 435 Q HN 0.662 nan 8.270 nan 0.000 0.410 436 L N 3.242 124.507 121.223 0.071 0.000 2.083 436 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 436 L C 1.781 178.651 176.870 -0.001 0.000 1.083 436 L CA 1.764 56.668 54.840 0.106 0.000 0.752 436 L CB -0.639 41.418 42.059 -0.003 0.000 0.899 436 L HN 0.690 nan 8.230 nan 0.000 0.433 437 N N -1.916 116.733 118.700 -0.086 0.000 2.463 437 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 437 N C -0.153 175.218 175.510 -0.233 0.000 1.078 437 N CA 0.495 53.452 53.050 -0.156 0.000 0.902 437 N CB -0.023 38.401 38.487 -0.106 0.000 0.970 437 N HN 0.263 nan 8.380 nan 0.000 0.451 438 D N -0.896 119.391 120.400 -0.188 0.000 2.319 438 D HA 0.114 4.753 4.640 -0.000 0.000 0.237 438 D C -0.696 175.600 176.300 -0.006 0.000 1.353 438 D CA -0.671 53.229 54.000 -0.166 0.000 0.992 438 D CB 0.068 40.830 40.800 -0.064 0.000 1.368 438 D HN -0.064 nan 8.370 nan 0.000 0.564 439 Y N 1.433 121.742 120.300 0.015 0.000 2.639 439 Y HA 0.018 4.568 4.550 -0.000 0.000 0.297 439 Y C 2.262 178.184 175.900 0.036 0.000 1.151 439 Y CA 0.563 58.678 58.100 0.026 0.000 1.335 439 Y CB -0.637 37.837 38.460 0.024 0.000 0.994 439 Y HN 0.349 nan 8.280 nan 0.000 0.548 440 T N -0.529 114.112 114.554 0.146 0.000 3.023 440 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 440 T C 0.845 175.599 174.700 0.089 0.000 1.093 440 T CA 0.635 62.795 62.100 0.099 0.000 1.129 440 T CB -0.081 68.818 68.868 0.052 0.000 0.899 440 T HN 0.165 nan 8.240 nan 0.000 0.491 441 K N 2.453 122.908 120.400 0.091 0.000 2.231 441 K HA 0.412 4.732 4.320 -0.000 0.000 0.255 441 K C -1.178 175.469 176.600 0.078 0.000 1.108 441 K CA -0.161 56.169 56.287 0.072 0.000 0.997 441 K CB 1.018 33.556 32.500 0.063 0.000 1.549 441 K HN 0.044 nan 8.250 nan 0.000 0.419 442 V N 2.216 122.177 119.914 0.077 0.000 2.459 442 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 442 V C -0.008 176.102 176.094 0.027 0.000 1.029 442 V CA -0.614 61.739 62.300 0.087 0.000 0.874 442 V CB 1.910 33.833 31.823 0.166 0.000 0.985 442 V HN 0.575 nan 8.190 nan 0.000 0.438 443 T N 3.093 117.617 114.554 -0.049 0.000 2.841 443 T HA 0.235 4.584 4.350 -0.000 0.000 0.285 443 T C -0.540 174.005 174.700 -0.259 0.000 0.991 443 T CA -0.297 61.722 62.100 -0.134 0.000 0.966 443 T CB 1.270 70.030 68.868 -0.180 0.000 0.962 443 T HN 0.774 nan 8.240 nan 0.000 0.438 444 C N 5.784 124.857 119.300 -0.379 0.000 2.281 444 C HA 0.412 4.872 4.460 -0.000 0.000 0.336 444 C C 1.722 176.366 174.990 -0.576 0.000 1.217 444 C CA -0.643 57.897 59.018 -0.796 0.000 1.730 444 C CB -2.081 25.055 27.740 -1.006 0.000 2.338 444 C HN 0.995 nan 8.230 nan 0.000 0.521 445 L N 4.612 125.503 121.223 -0.554 0.000 2.395 445 L HA 0.037 4.377 4.340 -0.000 0.000 0.218 445 L C 2.199 178.789 176.870 -0.467 0.000 1.130 445 L CA 1.177 55.774 54.840 -0.404 0.000 0.826 445 L CB -0.308 41.551 42.059 -0.333 0.000 0.941 445 L HN 0.887 nan 8.230 nan 0.000 0.451 446 S N -3.293 112.026 115.700 -0.634 0.000 2.593 446 S HA -0.018 4.451 4.470 -0.000 0.000 0.235 446 S C 1.861 176.152 174.600 -0.515 0.000 1.059 446 S CA -0.058 57.700 58.200 -0.736 0.000 0.953 446 S CB -0.357 62.027 63.200 -1.361 0.000 0.897 446 S HN 0.306 nan 8.310 nan 0.000 0.507 447 C N 2.034 120.993 119.300 -0.569 0.000 2.392 447 C HA -0.045 4.414 4.460 -0.000 0.000 0.276 447 C C 2.290 177.115 174.990 -0.275 0.000 1.212 447 C CA 1.540 60.209 59.018 -0.580 0.000 1.791 447 C CB -1.071 26.103 27.740 -0.944 0.000 2.063 447 C HN 0.611 nan 8.230 nan 0.000 0.481 448 E N -0.464 119.612 120.200 -0.208 0.000 2.538 448 E HA 0.230 4.580 4.350 -0.000 0.000 0.207 448 E C 1.760 178.334 176.600 -0.043 0.000 1.002 448 E CA -0.108 56.240 56.400 -0.087 0.000 0.952 448 E CB -0.113 29.537 29.700 -0.084 0.000 1.031 448 E HN 0.541 nan 8.360 nan 0.000 0.476 449 L N -0.166 121.033 121.223 -0.039 0.000 2.046 449 L HA -0.057 4.282 4.340 -0.000 0.000 0.208 449 L C 0.022 176.917 176.870 0.041 0.000 1.077 449 L CA 1.126 55.975 54.840 0.015 0.000 0.747 449 L CB -0.131 41.957 42.059 0.049 0.000 0.896 449 L HN 0.083 nan 8.230 nan 0.000 0.432 450 N N -1.914 116.825 118.700 0.065 0.000 2.679 450 N HA 0.075 4.815 4.740 -0.000 0.000 0.240 450 N C -2.102 173.435 175.510 0.046 0.000 1.537 450 N CA -0.533 52.541 53.050 0.040 0.000 0.793 450 N CB 0.817 39.317 38.487 0.022 0.000 1.391 450 N HN -0.094 nan 8.380 nan 0.000 0.524 451 P HA -0.226 nan 4.420 nan 0.000 0.219 451 P C 0.452 177.784 177.300 0.053 0.000 1.144 451 P CA 1.478 64.623 63.100 0.075 0.000 0.806 451 P CB 0.603 32.352 31.700 0.082 0.000 0.771 452 E N -0.459 119.756 120.200 0.025 0.000 2.102 452 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 452 E C 2.261 178.857 176.600 -0.008 0.000 0.971 452 E CA 0.555 56.961 56.400 0.010 0.000 0.821 452 E CB -0.354 29.346 29.700 0.001 0.000 0.777 452 E HN 0.310 nan 8.360 nan 0.000 0.460 453 R N -0.092 120.392 120.500 -0.026 0.000 2.161 453 R HA 0.065 4.404 4.340 -0.000 0.000 0.213 453 R C -0.014 176.230 176.300 -0.093 0.000 1.055 453 R CA 0.580 56.641 56.100 -0.064 0.000 0.996 453 R CB 0.347 30.599 30.300 -0.080 0.000 0.901 453 R HN 0.010 nan 8.270 nan 0.000 0.456 454 c N 0.945 119.494 118.600 -0.086 0.000 2.356 454 c HA 0.409 4.979 4.570 -0.000 0.000 0.324 454 c C -0.010 174.039 174.090 -0.068 0.000 1.167 454 c CA -0.697 55.511 56.329 -0.203 0.000 1.420 454 c CB 1.335 43.639 42.510 -0.343 0.000 2.036 454 c HN 0.525 nan 8.230 nan 0.000 0.435 455 Q N 0.346 120.123 119.800 -0.038 0.000 2.113 455 Q HA 0.200 4.540 4.340 -0.000 0.000 0.225 455 Q C -0.846 175.248 176.000 0.156 0.000 0.786 455 Q CA 0.113 55.982 55.803 0.111 0.000 0.989 455 Q CB 1.288 30.093 28.738 0.112 0.000 1.174 455 Q HN 0.786 nan 8.270 nan 0.000 0.470 456 Y N 0.508 120.762 120.300 -0.076 0.000 2.333 456 Y HA 0.408 4.958 4.550 -0.000 0.000 0.324 456 Y C -1.661 174.239 175.900 0.001 0.000 1.033 456 Y CA -1.170 56.947 58.100 0.029 0.000 1.224 456 Y CB 0.689 39.180 38.460 0.051 0.000 1.120 456 Y HN -0.100 nan 8.280 nan 0.000 0.457 457 Y N 1.982 122.338 120.300 0.095 0.000 2.598 457 Y HA 0.708 5.257 4.550 -0.000 0.000 0.340 457 Y C 0.127 176.111 175.900 0.141 0.000 1.038 457 Y CA -0.734 57.427 58.100 0.102 0.000 1.100 457 Y CB 2.337 40.773 38.460 -0.040 0.000 1.281 457 Y HN 0.491 nan 8.280 nan 0.000 0.488 458 S N 0.586 116.529 115.700 0.404 0.000 2.667 458 S HA 0.990 5.460 4.470 -0.000 0.000 0.292 458 S C -1.182 173.561 174.600 0.239 0.000 1.126 458 S CA -0.599 57.800 58.200 0.332 0.000 0.881 458 S CB 2.049 65.526 63.200 0.462 0.000 1.132 458 S HN 1.046 nan 8.310 nan 0.000 0.492 459 A N 0.281 123.229 122.820 0.214 0.000 2.515 459 A HA 0.896 5.215 4.320 -0.000 0.000 0.296 459 A C -0.676 177.049 177.584 0.235 0.000 1.094 459 A CA -0.698 51.431 52.037 0.153 0.000 0.718 459 A CB 1.688 20.718 19.000 0.049 0.000 1.307 459 A HN 1.425 nan 8.150 nan 0.000 0.408 460 S N 0.416 116.239 115.700 0.205 0.000 2.776 460 S HA 0.676 5.146 4.470 -0.000 0.000 0.284 460 S C -1.532 173.279 174.600 0.352 0.000 1.160 460 S CA -0.359 58.056 58.200 0.358 0.000 1.051 460 S CB -0.116 63.315 63.200 0.386 0.000 1.037 460 S HN 0.458 nan 8.310 nan 0.000 0.485 461 F N 3.061 123.133 119.950 0.203 0.000 2.397 461 F HA 0.503 5.030 4.527 -0.000 0.000 0.331 461 F C 1.379 176.856 175.800 -0.538 0.000 1.090 461 F CA -0.296 57.671 58.000 -0.055 0.000 1.065 461 F CB 1.615 40.539 39.000 -0.126 0.000 1.184 461 F HN 0.645 nan 8.300 nan 0.000 0.499 462 S N 1.057 116.211 115.700 -0.910 0.000 2.626 462 S HA 0.127 4.597 4.470 -0.000 0.000 0.257 462 S C 1.067 175.456 174.600 -0.352 0.000 1.288 462 S CA -0.389 57.005 58.200 -1.343 0.000 0.980 462 S CB 0.252 62.652 63.200 -1.332 0.000 0.975 462 S HN 0.748 nan 8.310 nan 0.000 0.577 463 N N 0.713 119.318 118.700 -0.159 0.000 2.069 463 N HA -0.190 4.550 4.740 -0.000 0.000 0.196 463 N C 1.315 176.850 175.510 0.043 0.000 1.024 463 N CA 1.547 54.608 53.050 0.018 0.000 0.869 463 N CB -0.196 38.336 38.487 0.076 0.000 1.035 463 N HN 0.625 nan 8.380 nan 0.000 0.434 464 K N 0.200 120.626 120.400 0.043 0.000 2.514 464 K HA 0.303 4.623 4.320 -0.000 0.000 0.207 464 K C -0.293 176.343 176.600 0.059 0.000 1.035 464 K CA 0.146 56.471 56.287 0.064 0.000 1.113 464 K CB 0.484 33.032 32.500 0.080 0.000 0.846 464 K HN 0.160 nan 8.250 nan 0.000 0.491 465 A N 1.146 123.995 122.820 0.049 0.000 2.925 465 A HA -0.234 4.086 4.320 -0.000 0.000 0.265 465 A C 1.033 178.693 177.584 0.126 0.000 1.419 465 A CA 1.401 53.509 52.037 0.120 0.000 0.807 465 A CB -2.057 16.921 19.000 -0.038 0.000 1.043 465 A HN 0.558 nan 8.150 nan 0.000 0.600 466 K N -1.816 118.604 120.400 0.032 0.000 2.296 466 K HA 0.166 4.486 4.320 -0.000 0.000 0.200 466 K C 0.091 176.413 176.600 -0.465 0.000 1.048 466 K CA 1.270 57.470 56.287 -0.146 0.000 0.966 466 K CB 0.033 32.489 32.500 -0.074 0.000 0.754 466 K HN 0.695 nan 8.250 nan 0.000 0.466 467 Y N -1.100 119.162 120.300 -0.064 0.000 2.609 467 Y HA 0.326 4.875 4.550 -0.000 0.000 0.342 467 Y C -1.104 174.698 175.900 -0.163 0.000 1.058 467 Y CA -1.346 56.685 58.100 -0.116 0.000 1.055 467 Y CB 1.759 40.169 38.460 -0.083 0.000 1.292 467 Y HN -0.040 nan 8.280 nan 0.000 0.476 468 Y N -0.994 119.261 120.300 -0.075 0.000 2.480 468 Y HA 0.455 5.005 4.550 -0.000 0.000 0.329 468 Y C -1.394 174.487 175.900 -0.032 0.000 1.127 468 Y CA -1.346 56.514 58.100 -0.400 0.000 1.037 468 Y CB 1.338 38.873 38.460 -1.541 0.000 1.320 468 Y HN 0.605 nan 8.280 nan 0.000 0.446 469 Q N 4.127 124.060 119.800 0.222 0.000 2.257 469 Q HA 0.589 4.929 4.340 -0.000 0.000 0.255 469 Q C -1.747 174.349 176.000 0.159 0.000 0.920 469 Q CA -0.721 55.174 55.803 0.153 0.000 0.927 469 Q CB 1.424 30.211 28.738 0.082 0.000 1.229 469 Q HN 0.967 nan 8.270 nan 0.000 0.433 470 L N 3.660 124.982 121.223 0.165 0.000 2.322 470 L HA 0.538 4.878 4.340 -0.000 0.000 0.279 470 L C -0.608 176.284 176.870 0.037 0.000 1.036 470 L CA -0.789 54.124 54.840 0.121 0.000 0.807 470 L CB 1.463 43.574 42.059 0.086 0.000 1.226 470 L HN 0.642 nan 8.230 nan 0.000 0.433 471 R N 1.957 122.440 120.500 -0.028 0.000 2.422 471 R HA 0.290 4.630 4.340 -0.000 0.000 0.307 471 R C -1.072 174.801 176.300 -0.711 0.000 1.004 471 R CA -0.283 55.493 56.100 -0.540 0.000 0.882 471 R CB 1.359 31.401 30.300 -0.430 0.000 1.164 471 R HN 0.542 nan 8.270 nan 0.000 0.489 472 c N 4.322 122.392 118.600 -0.883 0.000 2.325 472 c HA 0.469 5.038 4.570 -0.000 0.000 0.347 472 c C 0.294 173.894 174.090 -0.818 0.000 1.263 472 c CA -0.465 55.318 56.329 -0.910 0.000 1.806 472 c CB -0.821 41.218 42.510 -0.785 0.000 2.405 472 c HN 0.964 nan 8.230 nan 0.000 0.537 473 F N 4.285 124.113 119.950 -0.204 0.000 2.682 473 F HA 0.466 4.993 4.527 -0.000 0.000 0.308 473 F C 1.398 177.164 175.800 -0.057 0.000 1.093 473 F CA 0.624 58.571 58.000 -0.089 0.000 1.244 473 F CB 0.292 39.261 39.000 -0.052 0.000 1.052 473 F HN 0.987 nan 8.300 nan 0.000 0.573 474 G N 0.210 109.025 108.800 0.024 0.000 2.337 474 G HA2 0.112 4.072 3.960 -0.000 0.000 0.298 474 G HA3 0.112 4.072 3.960 -0.000 0.000 0.298 474 G C -2.568 172.331 174.900 -0.002 0.000 1.335 474 G CA -0.697 44.429 45.100 0.043 0.000 0.875 474 G HN -0.308 nan 8.290 nan 0.000 0.579 475 P HA 0.127 nan 4.420 nan 0.000 0.233 475 P C 1.237 178.558 177.300 0.035 0.000 1.167 475 P CA 1.352 64.487 63.100 0.058 0.000 0.770 475 P CB 0.317 32.044 31.700 0.046 0.000 0.837 476 G N 0.329 109.086 108.800 -0.072 0.000 2.525 476 G HA2 0.413 4.373 3.960 -0.000 0.000 0.287 476 G HA3 0.413 4.373 3.960 -0.000 0.000 0.287 476 G C -0.263 174.412 174.900 -0.375 0.000 1.350 476 G CA -0.781 44.200 45.100 -0.198 0.000 1.039 476 G HN 0.027 nan 8.290 nan 0.000 0.513 477 L N 1.100 122.015 121.223 -0.514 0.000 2.485 477 L HA 0.119 4.459 4.340 -0.000 0.000 0.275 477 L C -1.852 174.860 176.870 -0.264 0.000 1.207 477 L CA -1.144 53.354 54.840 -0.570 0.000 0.855 477 L CB 0.490 42.299 42.059 -0.417 0.000 1.114 477 L HN 0.238 nan 8.230 nan 0.000 0.485 478 P HA 0.012 nan 4.420 nan 0.000 0.265 478 P C -0.913 176.318 177.300 -0.116 0.000 1.187 478 P CA 0.070 63.107 63.100 -0.106 0.000 0.766 478 P CB 0.553 32.340 31.700 0.145 0.000 0.820 479 L N 5.088 126.120 121.223 -0.318 0.000 2.439 479 L HA 0.477 4.817 4.340 -0.000 0.000 0.270 479 L C -1.800 174.861 176.870 -0.349 0.000 0.972 479 L CA -0.625 54.101 54.840 -0.191 0.000 0.836 479 L CB 0.960 42.924 42.059 -0.159 0.000 1.255 479 L HN 0.212 nan 8.230 nan 0.000 0.404 480 Y N 2.963 123.188 120.300 -0.124 0.000 2.328 480 Y HA 0.746 5.295 4.550 -0.000 0.000 0.337 480 Y C 0.557 176.343 175.900 -0.191 0.000 0.966 480 Y CA -0.452 57.563 58.100 -0.140 0.000 1.136 480 Y CB 1.986 40.373 38.460 -0.121 0.000 1.170 480 Y HN 0.692 nan 8.280 nan 0.000 0.470 481 T N 1.272 115.808 114.554 -0.029 0.000 2.901 481 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 481 T C -1.396 173.234 174.700 -0.117 0.000 1.084 481 T CA -0.964 61.069 62.100 -0.112 0.000 1.008 481 T CB 1.842 70.679 68.868 -0.051 0.000 1.170 481 T HN 0.569 nan 8.240 nan 0.000 0.509 482 L N 1.693 122.753 121.223 -0.272 0.000 2.333 482 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 482 L C -1.280 175.355 176.870 -0.390 0.000 1.004 482 L CA -0.742 53.983 54.840 -0.193 0.000 0.820 482 L CB 1.414 43.380 42.059 -0.155 0.000 1.247 482 L HN 0.898 nan 8.230 nan 0.000 0.416 483 H N 1.188 120.033 119.070 -0.376 0.000 2.731 483 H HA 0.396 4.951 4.556 -0.000 0.000 0.368 483 H C -0.687 174.354 175.328 -0.479 0.000 1.168 483 H CA -0.482 55.233 56.048 -0.555 0.000 1.181 483 H CB 2.097 31.219 29.762 -1.066 0.000 1.743 483 H HN 0.406 nan 8.280 nan 0.000 0.547 484 S N 0.342 115.922 115.700 -0.200 0.000 2.433 484 S HA 0.192 4.662 4.470 -0.000 0.000 0.310 484 S C 0.644 175.133 174.600 -0.186 0.000 1.097 484 S CA -0.617 57.437 58.200 -0.244 0.000 1.103 484 S CB 0.656 63.763 63.200 -0.155 0.000 0.992 484 S HN 0.653 nan 8.310 nan 0.000 0.469 485 S N 3.625 119.244 115.700 -0.135 0.000 2.419 485 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 485 S C 2.201 176.848 174.600 0.077 0.000 1.019 485 S CA 1.566 59.849 58.200 0.140 0.000 0.982 485 S CB -0.419 62.907 63.200 0.211 0.000 0.789 485 S HN 0.958 nan 8.310 nan 0.000 0.490 486 S N 2.180 117.861 115.700 -0.031 0.000 2.348 486 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 486 S C 1.839 176.446 174.600 0.012 0.000 1.033 486 S CA 1.470 59.668 58.200 -0.003 0.000 1.010 486 S CB -0.543 62.628 63.200 -0.049 0.000 0.891 486 S HN 0.620 nan 8.310 nan 0.000 0.442 487 S N -0.368 115.329 115.700 -0.006 0.000 2.559 487 S HA 0.262 4.732 4.470 -0.000 0.000 0.226 487 S C -0.073 174.534 174.600 0.012 0.000 1.000 487 S CA 0.211 58.413 58.200 0.002 0.000 0.948 487 S CB -0.071 63.125 63.200 -0.006 0.000 0.870 487 S HN 0.297 nan 8.310 nan 0.000 0.497 488 D N 1.362 121.780 120.400 0.030 0.000 2.837 488 D HA -0.148 4.492 4.640 -0.000 0.000 0.230 488 D C -0.169 176.171 176.300 0.066 0.000 1.152 488 D CA 1.075 55.118 54.000 0.072 0.000 0.736 488 D CB -1.049 39.789 40.800 0.063 0.000 1.084 488 D HN 0.652 nan 8.370 nan 0.000 0.429 489 K N 1.062 121.474 120.400 0.020 0.000 2.156 489 K HA 0.218 4.538 4.320 -0.000 0.000 0.271 489 K C 0.137 176.699 176.600 -0.064 0.000 0.995 489 K CA -0.515 55.771 56.287 -0.001 0.000 0.890 489 K CB 1.001 33.488 32.500 -0.021 0.000 1.073 489 K HN -0.000 nan 8.250 nan 0.000 0.454 490 E N 5.474 125.601 120.200 -0.121 0.000 2.159 490 E HA -0.023 4.327 4.350 -0.000 0.000 0.272 490 E C 0.550 176.982 176.600 -0.280 0.000 1.138 490 E CA -0.104 56.044 56.400 -0.421 0.000 0.915 490 E CB 0.319 29.821 29.700 -0.331 0.000 1.028 490 E HN 0.671 nan 8.360 nan 0.000 0.423 491 L N 4.678 125.734 121.223 -0.279 0.000 2.012 491 L HA -0.127 4.212 4.340 -0.000 0.000 0.210 491 L C 1.336 178.126 176.870 -0.133 0.000 1.073 491 L CA 1.399 56.157 54.840 -0.137 0.000 0.748 491 L CB -0.501 41.518 42.059 -0.068 0.000 0.891 491 L HN 0.627 nan 8.230 nan 0.000 0.431 492 R N -2.373 118.010 120.500 -0.194 0.000 2.728 492 R HA 0.417 4.757 4.340 -0.000 0.000 0.274 492 R C -1.640 174.537 176.300 -0.204 0.000 1.032 492 R CA -0.940 55.065 56.100 -0.158 0.000 0.866 492 R CB 1.321 31.557 30.300 -0.106 0.000 1.263 492 R HN -0.282 nan 8.270 nan 0.000 0.475 493 V N 3.101 122.918 119.914 -0.161 0.000 2.408 493 V HA 0.158 4.278 4.120 -0.000 0.000 0.267 493 V C 1.395 177.358 176.094 -0.219 0.000 1.047 493 V CA -0.341 61.862 62.300 -0.161 0.000 0.937 493 V CB 1.036 32.798 31.823 -0.101 0.000 0.999 493 V HN 0.644 nan 8.190 nan 0.000 0.472 494 L N 2.792 123.815 121.223 -0.333 0.000 2.127 494 L HA 0.207 4.547 4.340 -0.000 0.000 0.203 494 L C 0.797 177.446 176.870 -0.368 0.000 1.080 494 L CA 0.889 55.351 54.840 -0.630 0.000 0.768 494 L CB 0.176 41.491 42.059 -1.241 0.000 0.924 494 L HN 0.700 nan 8.230 nan 0.000 0.444 495 E N -0.274 119.837 120.200 -0.149 0.000 2.397 495 E HA 0.084 4.434 4.350 -0.000 0.000 0.293 495 E C -1.232 175.407 176.600 0.064 0.000 0.930 495 E CA -0.356 56.043 56.400 -0.001 0.000 0.793 495 E CB 1.087 30.804 29.700 0.028 0.000 1.259 495 E HN 0.145 nan 8.360 nan 0.000 0.406 496 D N 3.197 123.613 120.400 0.026 0.000 2.503 496 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 496 D C -0.333 175.970 176.300 0.005 0.000 1.183 496 D CA -0.273 53.734 54.000 0.012 0.000 0.827 496 D CB -0.073 40.715 40.800 -0.020 0.000 1.034 496 D HN 0.447 nan 8.370 nan 0.000 0.510 497 N N 0.782 119.496 118.700 0.022 0.000 2.721 497 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 497 N C 1.087 176.592 175.510 -0.008 0.000 1.072 497 N CA 0.929 53.986 53.050 0.011 0.000 0.710 497 N CB -1.339 37.156 38.487 0.013 0.000 0.993 497 N HN 0.506 nan 8.380 nan 0.000 0.547 498 S N -1.050 114.646 115.700 -0.006 0.000 2.382 498 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 498 S C 2.106 176.709 174.600 0.005 0.000 1.027 498 S CA 1.079 59.274 58.200 -0.009 0.000 0.991 498 S CB -0.200 62.996 63.200 -0.006 0.000 0.823 498 S HN 0.513 nan 8.310 nan 0.000 0.469 499 A N 2.224 125.055 122.820 0.017 0.000 1.865 499 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 499 A C 2.274 179.891 177.584 0.055 0.000 1.191 499 A CA 1.749 53.808 52.037 0.036 0.000 0.623 499 A CB -1.061 17.962 19.000 0.039 0.000 0.826 499 A HN 0.554 nan 8.150 nan 0.000 0.444 500 L N 0.304 121.561 121.223 0.057 0.000 2.046 500 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 500 L C 1.895 178.775 176.870 0.016 0.000 1.077 500 L CA 2.838 57.725 54.840 0.078 0.000 0.747 500 L CB -0.796 41.311 42.059 0.079 0.000 0.896 500 L HN 0.493 nan 8.230 nan 0.000 0.432 501 D N -0.738 119.649 120.400 -0.022 0.000 2.144 501 D HA -0.260 4.380 4.640 -0.000 0.000 0.199 501 D C 2.168 178.452 176.300 -0.026 0.000 0.984 501 D CA 1.211 55.179 54.000 -0.052 0.000 0.834 501 D CB 0.007 40.771 40.800 -0.059 0.000 0.955 501 D HN 0.213 nan 8.370 nan 0.000 0.465 502 K N -0.281 120.122 120.400 0.004 0.000 2.097 502 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 502 K C 2.007 178.630 176.600 0.039 0.000 1.050 502 K CA 1.181 57.480 56.287 0.020 0.000 0.938 502 K CB -0.197 32.322 32.500 0.031 0.000 0.718 502 K HN 0.232 nan 8.250 nan 0.000 0.442 503 M N -0.201 119.438 119.600 0.065 0.000 2.156 503 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 503 M C 1.844 178.134 176.300 -0.016 0.000 1.067 503 M CA 1.228 56.598 55.300 0.118 0.000 1.131 503 M CB -0.175 32.606 32.600 0.301 0.000 1.368 503 M HN 0.054 nan 8.290 nan 0.000 0.416 504 L N 0.487 121.638 121.223 -0.119 0.000 2.275 504 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 504 L C 2.601 179.409 176.870 -0.103 0.000 1.119 504 L CA 0.895 55.613 54.840 -0.204 0.000 0.790 504 L CB -0.774 41.172 42.059 -0.190 0.000 0.919 504 L HN 0.484 nan 8.230 nan 0.000 0.443 505 Q N -0.506 119.264 119.800 -0.049 0.000 2.436 505 Q HA -0.208 4.132 4.340 -0.000 0.000 0.209 505 Q C 0.899 176.899 176.000 0.001 0.000 0.965 505 Q CA 1.465 57.255 55.803 -0.022 0.000 0.910 505 Q CB -0.339 28.393 28.738 -0.010 0.000 0.980 505 Q HN 0.368 nan 8.270 nan 0.000 0.491 506 D N 0.682 121.088 120.400 0.010 0.000 2.325 506 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 506 D C -0.689 175.646 176.300 0.057 0.000 1.096 506 D CA -0.140 53.888 54.000 0.047 0.000 0.844 506 D CB 0.955 41.803 40.800 0.079 0.000 0.925 506 D HN 0.129 nan 8.370 nan 0.000 0.513 507 V N 0.024 119.945 119.914 0.012 0.000 2.841 507 V HA 0.332 4.452 4.120 -0.000 0.000 0.310 507 V C -1.175 174.926 176.094 0.011 0.000 1.090 507 V CA -0.787 61.532 62.300 0.032 0.000 0.930 507 V CB 2.041 33.864 31.823 0.001 0.000 1.014 507 V HN -0.056 nan 8.190 nan 0.000 0.425 508 Q N 6.184 126.007 119.800 0.039 0.000 2.641 508 Q HA 0.282 4.622 4.340 -0.000 0.000 0.225 508 Q C -0.285 175.695 176.000 -0.033 0.000 1.309 508 Q CA -0.117 55.677 55.803 -0.015 0.000 0.935 508 Q CB 0.327 29.064 28.738 -0.000 0.000 1.557 508 Q HN 0.610 nan 8.270 nan 0.000 0.563 509 M N 3.524 123.088 119.600 -0.060 0.000 2.242 509 M HA 0.286 4.766 4.480 -0.000 0.000 0.344 509 M C -1.906 174.339 176.300 -0.092 0.000 1.140 509 M CA -2.113 53.143 55.300 -0.073 0.000 1.160 509 M CB -0.058 32.493 32.600 -0.081 0.000 1.491 509 M HN 0.285 nan 8.290 nan 0.000 0.459 510 P HA 0.301 nan 4.420 nan 0.000 0.278 510 P C -1.013 176.223 177.300 -0.107 0.000 1.266 510 P CA -0.428 62.606 63.100 -0.110 0.000 0.807 510 P CB 0.854 32.486 31.700 -0.114 0.000 1.094 511 S N -0.798 114.826 115.700 -0.128 0.000 2.607 511 S HA 0.574 5.043 4.470 -0.000 0.000 0.303 511 S C -0.540 173.983 174.600 -0.128 0.000 1.086 511 S CA -0.828 57.306 58.200 -0.109 0.000 0.995 511 S CB 1.802 64.937 63.200 -0.108 0.000 1.084 511 S HN 0.494 nan 8.310 nan 0.000 0.507 512 K N 1.029 121.377 120.400 -0.086 0.000 2.358 512 K HA 0.415 4.735 4.320 -0.000 0.000 0.260 512 K C -1.193 175.366 176.600 -0.069 0.000 0.956 512 K CA -0.498 55.742 56.287 -0.078 0.000 0.834 512 K CB 1.079 33.555 32.500 -0.039 0.000 1.102 512 K HN 0.744 nan 8.250 nan 0.000 0.431 513 K N 5.140 125.485 120.400 -0.092 0.000 2.292 513 K HA 0.347 4.666 4.320 -0.000 0.000 0.257 513 K C -1.447 175.105 176.600 -0.081 0.000 0.940 513 K CA -0.785 55.452 56.287 -0.083 0.000 0.811 513 K CB 0.978 33.403 32.500 -0.126 0.000 1.120 513 K HN 0.403 nan 8.250 nan 0.000 0.428 514 L N 3.273 124.468 121.223 -0.046 0.000 2.329 514 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 514 L C -0.258 176.537 176.870 -0.125 0.000 1.014 514 L CA 0.012 54.830 54.840 -0.036 0.000 0.814 514 L CB 1.643 43.805 42.059 0.172 0.000 1.257 514 L HN 0.802 nan 8.230 nan 0.000 0.424 515 D N 0.658 120.785 120.400 -0.454 0.000 2.946 515 D HA 0.689 5.329 4.640 -0.000 0.000 0.337 515 D C -1.631 174.284 176.300 -0.641 0.000 1.332 515 D CA -0.111 53.579 54.000 -0.516 0.000 0.935 515 D CB 2.040 42.604 40.800 -0.394 0.000 1.440 515 D HN 0.116 nan 8.370 nan 0.000 0.540 516 V N 0.733 120.451 119.914 -0.328 0.000 3.078 516 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 516 V C -0.227 176.024 176.094 0.262 0.000 1.138 516 V CA -0.793 61.433 62.300 -0.122 0.000 1.007 516 V CB 2.009 33.491 31.823 -0.569 0.000 1.045 516 V HN 0.603 nan 8.190 nan 0.000 0.432 517 I N -0.385 120.370 120.570 0.309 0.000 3.174 517 I HA 0.714 4.883 4.170 -0.000 0.000 0.313 517 I C -1.040 175.190 176.117 0.188 0.000 1.155 517 I CA -0.875 60.547 61.300 0.203 0.000 0.977 517 I CB 2.527 40.575 38.000 0.080 0.000 1.248 517 I HN 0.627 nan 8.210 nan 0.000 0.453 518 N N 2.334 121.107 118.700 0.121 0.000 2.372 518 N HA 0.710 5.449 4.740 -0.000 0.000 0.291 518 N C -1.753 173.870 175.510 0.188 0.000 1.024 518 N CA -0.540 52.597 53.050 0.146 0.000 0.873 518 N CB 1.486 40.012 38.487 0.066 0.000 1.206 518 N HN 0.639 nan 8.380 nan 0.000 0.486 519 L N 3.079 124.514 121.223 0.354 0.000 2.438 519 L HA 0.372 4.711 4.340 -0.000 0.000 0.270 519 L C -0.632 176.540 176.870 0.504 0.000 0.972 519 L CA -0.882 54.202 54.840 0.407 0.000 0.831 519 L CB 1.568 43.896 42.059 0.448 0.000 1.273 519 L HN 0.836 nan 8.230 nan 0.000 0.405 520 H N 1.589 120.726 119.070 0.111 0.000 2.713 520 H HA -0.170 4.386 4.556 -0.000 0.000 0.311 520 H C 1.231 176.599 175.328 0.066 0.000 1.175 520 H CA 1.071 57.163 56.048 0.074 0.000 1.143 520 H CB -1.404 28.400 29.762 0.071 0.000 1.434 520 H HN 1.054 nan 8.280 nan 0.000 0.418 521 G N -0.434 108.438 108.800 0.121 0.000 2.249 521 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 521 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 521 G C 0.198 175.118 174.900 0.034 0.000 1.036 521 G CA 0.773 45.909 45.100 0.061 0.000 0.824 521 G HN 0.769 nan 8.290 nan 0.000 0.504 522 T N -0.314 114.261 114.554 0.035 0.000 2.903 522 T HA 0.586 4.936 4.350 -0.000 0.000 0.299 522 T C -0.050 174.505 174.700 -0.240 0.000 1.093 522 T CA -0.555 61.442 62.100 -0.173 0.000 1.002 522 T CB 1.773 70.410 68.868 -0.385 0.000 1.127 522 T HN 0.579 nan 8.240 nan 0.000 0.488 523 K N 1.845 122.062 120.400 -0.306 0.000 2.227 523 K HA 0.621 4.941 4.320 -0.000 0.000 0.280 523 K C -1.401 175.010 176.600 -0.316 0.000 1.041 523 K CA -0.479 55.688 56.287 -0.201 0.000 0.905 523 K CB 0.590 32.998 32.500 -0.153 0.000 1.068 523 K HN 0.405 nan 8.250 nan 0.000 0.470 524 F N 1.843 121.874 119.950 0.135 0.000 2.532 524 F HA 0.383 4.910 4.527 -0.000 0.000 0.321 524 F C -0.576 175.374 175.800 0.249 0.000 1.089 524 F CA -0.933 57.206 58.000 0.233 0.000 0.926 524 F CB 1.264 40.454 39.000 0.317 0.000 1.168 524 F HN 0.507 nan 8.300 nan 0.000 0.459 525 W N 2.861 124.386 121.300 0.376 0.000 2.303 525 W HA 0.490 5.150 4.660 -0.000 0.000 0.334 525 W C -0.682 176.122 176.519 0.475 0.000 1.197 525 W CA -0.539 56.996 57.345 0.318 0.000 1.262 525 W CB 0.514 30.072 29.460 0.163 0.000 1.153 525 W HN 0.408 nan 8.180 nan 0.000 0.596 526 Y N -0.521 120.125 120.300 0.577 0.000 2.625 526 Y HA 0.659 5.208 4.550 -0.000 0.000 0.338 526 Y C -1.039 175.076 175.900 0.359 0.000 1.123 526 Y CA -1.874 56.556 58.100 0.551 0.000 1.046 526 Y CB 1.125 40.032 38.460 0.745 0.000 1.299 526 Y HN 0.565 nan 8.280 nan 0.000 0.464 527 Q N 2.228 122.260 119.800 0.386 0.000 2.397 527 Q HA 0.753 5.093 4.340 -0.000 0.000 0.275 527 Q C -1.765 174.344 176.000 0.180 0.000 1.090 527 Q CA -1.180 54.720 55.803 0.162 0.000 0.809 527 Q CB 3.363 32.178 28.738 0.129 0.000 1.362 527 Q HN 0.857 nan 8.270 nan 0.000 0.431 528 M N 2.489 122.121 119.600 0.053 0.000 2.327 528 M HA 0.443 4.923 4.480 -0.000 0.000 0.298 528 M C -1.323 174.909 176.300 -0.114 0.000 1.065 528 M CA -0.917 54.360 55.300 -0.038 0.000 0.916 528 M CB 2.142 34.686 32.600 -0.095 0.000 1.630 528 M HN 0.612 nan 8.290 nan 0.000 0.442 529 I N 5.202 125.703 120.570 -0.114 0.000 2.304 529 I HA 0.369 4.538 4.170 -0.000 0.000 0.291 529 I C -0.495 175.487 176.117 -0.225 0.000 1.018 529 I CA -0.319 60.896 61.300 -0.141 0.000 1.260 529 I CB 0.510 38.450 38.000 -0.100 0.000 1.390 529 I HN 0.632 nan 8.210 nan 0.000 0.475 530 L N 8.431 129.471 121.223 -0.305 0.000 2.295 530 L HA 0.456 4.796 4.340 -0.000 0.000 0.285 530 L C -2.220 174.495 176.870 -0.257 0.000 1.035 530 L CA -1.816 52.754 54.840 -0.450 0.000 0.806 530 L CB 1.344 42.929 42.059 -0.789 0.000 1.214 530 L HN 0.269 nan 8.230 nan 0.000 0.426 531 P HA 0.056 nan 4.420 nan 0.000 0.268 531 P C -2.464 174.834 177.300 -0.004 0.000 1.208 531 P CA -0.757 62.329 63.100 -0.024 0.000 0.777 531 P CB -0.130 31.640 31.700 0.116 0.000 0.875 532 P HA -0.006 nan 4.420 nan 0.000 0.267 532 P C -0.564 176.649 177.300 -0.144 0.000 1.200 532 P CA 0.442 63.405 63.100 -0.228 0.000 0.772 532 P CB -0.266 31.215 31.700 -0.364 0.000 0.855 533 H N -1.674 117.448 119.070 0.087 0.000 2.770 533 H HA -0.215 4.341 4.556 -0.000 0.000 0.309 533 H C -0.121 175.278 175.328 0.119 0.000 1.206 533 H CA -0.447 55.651 56.048 0.084 0.000 1.147 533 H CB -2.243 27.556 29.762 0.062 0.000 1.422 533 H HN 0.309 nan 8.280 nan 0.000 0.420 534 F N 2.119 122.090 119.950 0.035 0.000 2.593 534 F HA 0.053 4.579 4.527 -0.000 0.000 0.393 534 F C 0.672 176.503 175.800 0.051 0.000 1.037 534 F CA 0.023 58.007 58.000 -0.026 0.000 1.195 534 F CB 0.358 39.234 39.000 -0.206 0.000 1.034 534 F HN 0.291 nan 8.300 nan 0.000 0.552 535 D N 6.039 126.134 120.400 -0.509 0.000 2.464 535 D HA 0.187 4.827 4.640 -0.000 0.000 0.243 535 D C -0.616 175.384 176.300 -0.500 0.000 1.104 535 D CA -0.666 53.128 54.000 -0.343 0.000 0.883 535 D CB 0.447 41.179 40.800 -0.113 0.000 1.050 535 D HN 0.544 nan 8.370 nan 0.000 0.524 536 K N 1.321 121.423 120.400 -0.496 0.000 2.229 536 K HA 0.262 4.582 4.320 -0.000 0.000 0.250 536 K C 0.477 177.046 176.600 -0.052 0.000 1.016 536 K CA -0.465 55.699 56.287 -0.205 0.000 0.866 536 K CB 0.467 32.986 32.500 0.031 0.000 1.028 536 K HN 0.277 nan 8.250 nan 0.000 0.514 537 S N -1.484 114.250 115.700 0.057 0.000 1.736 537 S HA -0.186 4.284 4.470 -0.000 0.000 0.241 537 S C -0.009 174.591 174.600 -0.000 0.000 0.922 537 S CA 1.536 59.750 58.200 0.024 0.000 1.380 537 S CB -1.130 62.064 63.200 -0.010 0.000 1.705 537 S HN 0.807 nan 8.310 nan 0.000 0.532 538 K N 2.220 122.604 120.400 -0.026 0.000 2.143 538 K HA 0.354 4.673 4.320 -0.000 0.000 0.272 538 K C -0.795 175.789 176.600 -0.027 0.000 1.001 538 K CA -0.339 55.879 56.287 -0.115 0.000 0.915 538 K CB 0.532 32.864 32.500 -0.280 0.000 1.047 538 K HN 0.129 nan 8.250 nan 0.000 0.458 539 K N 3.708 124.053 120.400 -0.091 0.000 2.268 539 K HA 0.170 4.490 4.320 -0.000 0.000 0.276 539 K C -1.172 175.393 176.600 -0.057 0.000 1.080 539 K CA -0.475 55.820 56.287 0.014 0.000 0.910 539 K CB 0.604 33.090 32.500 -0.024 0.000 1.163 539 K HN 0.370 nan 8.250 nan 0.000 0.465 540 Y N 3.292 123.615 120.300 0.039 0.000 2.335 540 Y HA 0.248 4.798 4.550 -0.000 0.000 0.323 540 Y C -1.846 173.993 175.900 -0.101 0.000 1.224 540 Y CA -2.566 55.535 58.100 0.002 0.000 1.241 540 Y CB 0.388 38.918 38.460 0.117 0.000 1.235 540 Y HN 0.486 nan 8.280 nan 0.000 0.492 541 P HA 0.227 nan 4.420 nan 0.000 0.277 541 P C -1.297 175.860 177.300 -0.237 0.000 1.240 541 P CA -0.293 62.523 63.100 -0.473 0.000 0.798 541 P CB 1.701 32.781 31.700 -1.033 0.000 0.979 542 L N 3.223 124.328 121.223 -0.197 0.000 2.381 542 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 542 L C -1.457 175.585 176.870 0.287 0.000 0.988 542 L CA -0.928 53.950 54.840 0.064 0.000 0.824 542 L CB 1.647 43.744 42.059 0.064 0.000 1.263 542 L HN 0.159 nan 8.230 nan 0.000 0.410 543 L N 6.077 127.489 121.223 0.315 0.000 2.313 543 L HA 0.636 4.976 4.340 -0.000 0.000 0.283 543 L C -1.173 175.918 176.870 0.368 0.000 1.013 543 L CA -0.237 54.847 54.840 0.406 0.000 0.816 543 L CB 1.273 43.525 42.059 0.323 0.000 1.236 543 L HN 0.451 nan 8.230 nan 0.000 0.419 544 I N 4.122 124.963 120.570 0.452 0.000 2.331 544 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 544 I C 0.126 176.501 176.117 0.430 0.000 0.998 544 I CA -0.175 61.380 61.300 0.426 0.000 1.267 544 I CB 1.282 39.584 38.000 0.505 0.000 1.386 544 I HN 0.728 nan 8.210 nan 0.000 0.476 545 E N 6.040 126.456 120.200 0.360 0.000 2.133 545 E HA 0.514 4.864 4.350 -0.000 0.000 0.274 545 E C -1.612 175.074 176.600 0.144 0.000 0.930 545 E CA -0.437 56.100 56.400 0.229 0.000 0.770 545 E CB 2.024 31.934 29.700 0.350 0.000 1.104 545 E HN 0.423 nan 8.360 nan 0.000 0.403 546 V N 5.654 125.586 119.914 0.029 0.000 2.864 546 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 546 V C -1.162 175.041 176.094 0.182 0.000 1.073 546 V CA -0.286 62.100 62.300 0.142 0.000 0.956 546 V CB 1.771 33.696 31.823 0.170 0.000 1.023 546 V HN 0.953 nan 8.190 nan 0.000 0.435 547 Y N 4.473 124.839 120.300 0.110 0.000 3.224 547 Y HA 0.468 5.018 4.550 -0.000 0.000 0.184 547 Y C 1.567 177.581 175.900 0.189 0.000 0.891 547 Y CA 0.250 58.436 58.100 0.143 0.000 1.736 547 Y CB 0.490 39.016 38.460 0.109 0.000 1.411 547 Y HN 0.953 nan 8.280 nan 0.000 0.402 548 A N 1.442 124.308 122.820 0.078 0.000 2.861 548 A HA -0.203 4.117 4.320 -0.000 0.000 0.261 548 A C 0.609 178.003 177.584 -0.318 0.000 1.351 548 A CA 1.002 52.994 52.037 -0.074 0.000 0.904 548 A CB -2.462 16.623 19.000 0.142 0.000 1.076 548 A HN 0.822 nan 8.150 nan 0.000 0.729 549 G N -0.577 107.755 108.800 -0.779 0.000 2.580 549 G HA2 0.544 4.504 3.960 -0.000 0.000 0.278 549 G HA3 0.544 4.504 3.960 -0.000 0.000 0.278 549 G C -1.980 172.435 174.900 -0.809 0.000 1.212 549 G CA -0.841 43.419 45.100 -1.399 0.000 0.939 549 G HN 0.386 nan 8.290 nan 0.000 0.513 550 P HA 0.004 nan 4.420 nan 0.000 0.263 550 P C 0.599 177.652 177.300 -0.412 0.000 1.195 550 P CA 0.332 63.081 63.100 -0.586 0.000 0.762 550 P CB 0.725 31.693 31.700 -1.219 0.000 0.799 551 C N 2.379 121.534 119.300 -0.242 0.000 4.417 551 C HA -0.147 4.313 4.460 -0.000 0.000 0.284 551 C C 1.060 175.986 174.990 -0.108 0.000 1.379 551 C CA 1.104 59.974 59.018 -0.248 0.000 1.918 551 C CB -2.648 24.814 27.740 -0.463 0.000 1.280 551 C HN 0.815 nan 8.230 nan 0.000 0.783 552 S N 0.016 115.562 115.700 -0.256 0.000 2.614 552 S HA 0.536 5.006 4.470 -0.000 0.000 0.265 552 S C -0.503 174.076 174.600 -0.035 0.000 1.303 552 S CA 0.200 58.173 58.200 -0.377 0.000 1.000 552 S CB 1.603 64.022 63.200 -1.300 0.000 0.935 552 S HN 0.817 nan 8.310 nan 0.000 0.551 553 Q N 0.171 120.040 119.800 0.115 0.000 2.878 553 Q HA 0.305 4.644 4.340 -0.000 0.000 0.232 553 Q C -0.509 175.596 176.000 0.175 0.000 0.893 553 Q CA -0.582 55.331 55.803 0.184 0.000 0.742 553 Q CB 0.710 29.610 28.738 0.270 0.000 1.354 553 Q HN 0.593 nan 8.270 nan 0.000 0.466 554 K N 1.260 121.752 120.400 0.153 0.000 2.400 554 K HA 0.195 4.514 4.320 -0.000 0.000 0.194 554 K C -0.181 176.516 176.600 0.162 0.000 1.033 554 K CA 0.332 56.730 56.287 0.184 0.000 1.021 554 K CB 0.816 33.440 32.500 0.207 0.000 0.808 554 K HN 0.363 nan 8.250 nan 0.000 0.505 555 V N 3.544 123.550 119.914 0.154 0.000 2.313 555 V HA 0.181 4.301 4.120 -0.000 0.000 0.278 555 V C -0.578 175.572 176.094 0.094 0.000 1.017 555 V CA -0.806 61.588 62.300 0.158 0.000 0.823 555 V CB 1.146 33.113 31.823 0.241 0.000 1.010 555 V HN 0.283 nan 8.190 nan 0.000 0.443 556 D N 2.249 122.689 120.400 0.068 0.000 2.677 556 D HA 0.306 4.945 4.640 -0.000 0.000 0.298 556 D C 0.307 176.625 176.300 0.030 0.000 1.250 556 D CA -0.105 53.925 54.000 0.050 0.000 0.888 556 D CB 1.523 42.362 40.800 0.065 0.000 1.397 556 D HN 0.312 nan 8.370 nan 0.000 0.461 557 T N -1.939 112.654 114.554 0.065 0.000 3.251 557 T HA 0.395 4.745 4.350 -0.000 0.000 0.259 557 T C 0.229 174.924 174.700 -0.009 0.000 0.998 557 T CA -0.449 61.684 62.100 0.053 0.000 0.905 557 T CB -0.760 68.172 68.868 0.107 0.000 1.067 557 T HN 0.277 nan 8.240 nan 0.000 0.569 558 V N 2.447 122.266 119.914 -0.158 0.000 2.546 558 V HA 0.391 4.510 4.120 -0.000 0.000 0.284 558 V C 0.094 176.184 176.094 -0.007 0.000 1.050 558 V CA -1.129 61.055 62.300 -0.193 0.000 0.981 558 V CB 0.464 32.033 31.823 -0.422 0.000 0.990 558 V HN 0.595 nan 8.190 nan 0.000 0.474 559 F N 6.203 126.119 119.950 -0.057 0.000 2.456 559 F HA 0.533 5.059 4.527 -0.000 0.000 0.358 559 F C 0.478 176.271 175.800 -0.011 0.000 1.095 559 F CA -0.176 57.806 58.000 -0.029 0.000 1.216 559 F CB 0.228 39.224 39.000 -0.007 0.000 1.125 559 F HN 0.410 nan 8.300 nan 0.000 0.549 560 R N 6.295 126.336 120.500 -0.765 0.000 2.533 560 R HA 0.368 4.708 4.340 -0.000 0.000 0.288 560 R C -1.913 173.980 176.300 -0.678 0.000 1.039 560 R CA -1.169 54.598 56.100 -0.556 0.000 0.909 560 R CB 1.760 31.918 30.300 -0.237 0.000 1.195 560 R HN 0.466 nan 8.270 nan 0.000 0.438 561 L N 3.260 124.202 121.223 -0.469 0.000 2.302 561 L HA 0.291 4.631 4.340 -0.000 0.000 0.285 561 L C 0.108 176.963 176.870 -0.024 0.000 1.090 561 L CA 0.279 54.939 54.840 -0.299 0.000 0.866 561 L CB 0.488 42.525 42.059 -0.037 0.000 1.244 561 L HN 0.744 nan 8.230 nan 0.000 0.435 562 S N 1.691 117.308 115.700 -0.139 0.000 2.810 562 S HA 0.311 4.781 4.470 -0.000 0.000 0.315 562 S C 0.584 174.893 174.600 -0.485 0.000 1.138 562 S CA -0.707 57.350 58.200 -0.237 0.000 0.889 562 S CB 0.592 63.746 63.200 -0.077 0.000 1.236 562 S HN 0.517 nan 8.310 nan 0.000 0.548 563 W N 1.322 122.054 121.300 -0.948 0.000 2.338 563 W HA 0.020 4.680 4.660 -0.000 0.000 0.304 563 W C 2.371 178.829 176.519 -0.101 0.000 1.212 563 W CA 2.123 59.085 57.345 -0.638 0.000 1.264 563 W CB -1.056 28.195 29.460 -0.349 0.000 1.142 563 W HN 0.833 nan 8.180 nan 0.000 0.512 564 A N -0.438 122.346 122.820 -0.061 0.000 1.972 564 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 564 A C 1.937 179.427 177.584 -0.157 0.000 1.169 564 A CA 2.402 54.341 52.037 -0.164 0.000 0.635 564 A CB -1.264 17.735 19.000 -0.002 0.000 0.810 564 A HN 0.306 nan 8.150 nan 0.000 0.446 565 T N -1.236 113.257 114.554 -0.102 0.000 2.746 565 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 565 T C 1.804 176.566 174.700 0.103 0.000 1.039 565 T CA 1.748 63.790 62.100 -0.096 0.000 1.142 565 T CB -0.442 68.253 68.868 -0.288 0.000 0.866 565 T HN 0.738 nan 8.240 nan 0.000 0.444 566 Y N 1.838 122.234 120.300 0.160 0.000 2.220 566 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 566 Y C 1.906 177.803 175.900 -0.005 0.000 1.129 566 Y CA 0.737 58.953 58.100 0.193 0.000 1.161 566 Y CB -0.726 37.834 38.460 0.166 0.000 0.997 566 Y HN 0.106 nan 8.280 nan 0.000 0.522 567 L N 0.401 121.171 121.223 -0.755 0.000 2.012 567 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 567 L C 2.853 179.470 176.870 -0.420 0.000 1.073 567 L CA 1.463 55.798 54.840 -0.842 0.000 0.748 567 L CB -1.016 40.598 42.059 -0.741 0.000 0.891 567 L HN 0.427 nan 8.230 nan 0.000 0.431 568 A N -1.196 121.471 122.820 -0.254 0.000 1.872 568 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 568 A C 2.522 180.060 177.584 -0.078 0.000 1.187 568 A CA 1.796 53.751 52.037 -0.135 0.000 0.614 568 A CB -0.672 18.250 19.000 -0.129 0.000 0.826 568 A HN 0.346 nan 8.150 nan 0.000 0.442 569 S N -1.222 114.448 115.700 -0.050 0.000 2.355 569 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 569 S C 1.988 176.615 174.600 0.045 0.000 1.031 569 S CA 2.312 60.526 58.200 0.023 0.000 0.993 569 S CB -0.388 62.881 63.200 0.115 0.000 0.859 569 S HN 0.580 nan 8.310 nan 0.000 0.453 570 T N 1.138 115.703 114.554 0.018 0.000 3.021 570 T HA 0.182 4.532 4.350 -0.000 0.000 0.245 570 T C 1.270 175.960 174.700 -0.016 0.000 1.028 570 T CA 0.506 62.638 62.100 0.053 0.000 1.139 570 T CB -0.076 68.919 68.868 0.211 0.000 0.884 570 T HN 0.320 nan 8.240 nan 0.000 0.457 571 E N 1.319 121.420 120.200 -0.165 0.000 2.474 571 E HA 0.176 4.526 4.350 -0.000 0.000 0.195 571 E C -0.134 176.453 176.600 -0.023 0.000 1.039 571 E CA -0.119 56.222 56.400 -0.099 0.000 0.881 571 E CB -0.335 29.246 29.700 -0.199 0.000 0.970 571 E HN 0.469 nan 8.360 nan 0.000 0.486 572 N N 0.732 119.434 118.700 0.003 0.000 2.725 572 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 572 N C -0.895 174.712 175.510 0.162 0.000 1.031 572 N CA 0.356 53.476 53.050 0.117 0.000 0.720 572 N CB -1.184 37.399 38.487 0.160 0.000 0.930 572 N HN 0.241 nan 8.380 nan 0.000 0.543 573 I N 0.704 121.301 120.570 0.045 0.000 2.392 573 I HA 0.346 4.516 4.170 -0.000 0.000 0.295 573 I C 0.607 176.727 176.117 0.006 0.000 0.985 573 I CA -0.791 60.540 61.300 0.051 0.000 1.221 573 I CB 1.253 39.274 38.000 0.035 0.000 1.366 573 I HN 0.041 nan 8.210 nan 0.000 0.467 574 I N 6.383 126.965 120.570 0.020 0.000 2.395 574 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 574 I C -0.480 175.628 176.117 -0.014 0.000 1.023 574 I CA -0.467 60.796 61.300 -0.062 0.000 1.350 574 I CB 1.209 39.168 38.000 -0.068 0.000 1.409 574 I HN 0.185 nan 8.210 nan 0.000 0.507 575 V N 6.272 126.163 119.914 -0.038 0.000 2.409 575 V HA 0.698 4.818 4.120 -0.000 0.000 0.291 575 V C 0.164 176.282 176.094 0.039 0.000 1.020 575 V CA -0.428 61.893 62.300 0.035 0.000 0.848 575 V CB 1.341 33.179 31.823 0.025 0.000 0.990 575 V HN 0.860 nan 8.190 nan 0.000 0.430 576 A N 3.789 126.661 122.820 0.087 0.000 2.384 576 A HA 0.971 5.291 4.320 -0.000 0.000 0.312 576 A C -0.363 177.356 177.584 0.225 0.000 1.113 576 A CA -0.559 51.528 52.037 0.083 0.000 0.779 576 A CB 2.065 20.979 19.000 -0.143 0.000 1.307 576 A HN 0.675 nan 8.150 nan 0.000 0.436 577 S N -0.495 115.380 115.700 0.292 0.000 2.569 577 S HA 0.787 5.257 4.470 -0.000 0.000 0.280 577 S C -1.615 173.312 174.600 0.545 0.000 1.111 577 S CA -0.288 58.132 58.200 0.367 0.000 0.887 577 S CB 1.404 64.772 63.200 0.280 0.000 1.095 577 S HN 0.890 nan 8.310 nan 0.000 0.476 578 F N 1.799 121.955 119.950 0.344 0.000 2.574 578 F HA 0.500 5.027 4.527 -0.000 0.000 0.313 578 F C -1.692 174.262 175.800 0.257 0.000 1.130 578 F CA -0.858 57.365 58.000 0.371 0.000 0.936 578 F CB 1.497 40.715 39.000 0.364 0.000 1.219 578 F HN 0.375 nan 8.300 nan 0.000 0.445 579 D N 4.441 124.514 120.400 -0.545 0.000 2.427 579 D HA 0.447 5.087 4.640 -0.000 0.000 0.226 579 D C 0.315 176.040 176.300 -0.959 0.000 1.076 579 D CA 0.135 53.850 54.000 -0.475 0.000 0.849 579 D CB 1.572 42.333 40.800 -0.065 0.000 1.052 579 D HN 0.788 nan 8.370 nan 0.000 0.515 580 G N 1.413 109.657 108.800 -0.928 0.000 2.940 580 G HA2 0.305 4.264 3.960 -0.000 0.000 0.164 580 G HA3 0.305 4.264 3.960 -0.000 0.000 0.164 580 G C 0.048 174.637 174.900 -0.518 0.000 1.326 580 G CA -0.699 43.795 45.100 -1.010 0.000 1.020 580 G HN 0.288 nan 8.290 nan 0.000 0.586 581 R N -0.517 119.720 120.500 -0.438 0.000 2.623 581 R HA 0.370 4.710 4.340 -0.000 0.000 0.271 581 R C 1.218 177.507 176.300 -0.019 0.000 1.043 581 R CA 1.442 57.485 56.100 -0.096 0.000 1.083 581 R CB 0.490 30.761 30.300 -0.048 0.000 0.974 581 R HN 1.062 nan 8.270 nan 0.000 0.436 582 G N 1.113 109.932 108.800 0.032 0.000 2.258 582 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.233 582 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.233 582 G C 0.172 175.039 174.900 -0.055 0.000 1.006 582 G CA 0.172 45.280 45.100 0.013 0.000 0.620 582 G HN 0.716 nan 8.290 nan 0.000 0.511 583 S N 0.279 115.939 115.700 -0.066 0.000 2.608 583 S HA 0.668 5.138 4.470 -0.000 0.000 0.261 583 S C 0.811 175.374 174.600 -0.062 0.000 1.314 583 S CA 0.500 58.651 58.200 -0.081 0.000 0.992 583 S CB 1.785 64.957 63.200 -0.047 0.000 0.935 583 S HN 1.702 nan 8.310 nan 0.000 0.564 584 G N -1.385 107.366 108.800 -0.082 0.000 2.932 584 G HA2 0.528 4.488 3.960 -0.000 0.000 0.283 584 G HA3 0.528 4.488 3.960 -0.000 0.000 0.283 584 G C -1.081 173.748 174.900 -0.117 0.000 1.336 584 G CA -1.078 43.867 45.100 -0.258 0.000 1.056 584 G HN 0.898 nan 8.290 nan 0.000 0.522 585 Y N -2.190 118.107 120.300 -0.004 0.000 4.729 585 Y HA -0.208 4.342 4.550 -0.000 0.000 0.239 585 Y C 1.313 177.233 175.900 0.033 0.000 1.043 585 Y CA 1.082 59.193 58.100 0.018 0.000 2.045 585 Y CB -2.060 36.423 38.460 0.038 0.000 1.599 585 Y HN 0.513 nan 8.280 nan 0.000 0.655 586 Q N -0.100 119.734 119.800 0.057 0.000 2.055 586 Q HA 0.510 4.849 4.340 -0.000 0.000 0.226 586 Q C 0.843 176.759 176.000 -0.140 0.000 0.805 586 Q CA 0.193 56.048 55.803 0.087 0.000 1.072 586 Q CB 1.601 30.405 28.738 0.109 0.000 1.219 586 Q HN 0.576 nan 8.270 nan 0.000 0.451 587 G N 0.690 109.279 108.800 -0.352 0.000 2.699 587 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 587 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 587 G C -0.447 174.079 174.900 -0.624 0.000 1.301 587 G CA -0.512 44.097 45.100 -0.819 0.000 0.816 587 G HN 0.137 nan 8.290 nan 0.000 0.595 588 D N -0.108 119.870 120.400 -0.704 0.000 2.224 588 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 588 D C 2.193 178.150 176.300 -0.571 0.000 0.965 588 D CA 1.227 54.736 54.000 -0.819 0.000 0.852 588 D CB 0.024 40.259 40.800 -0.942 0.000 0.947 588 D HN 0.580 nan 8.370 nan 0.000 0.494 589 K N 0.537 120.692 120.400 -0.409 0.000 2.063 589 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 589 K C 1.827 178.344 176.600 -0.138 0.000 1.048 589 K CA 0.876 57.030 56.287 -0.223 0.000 0.928 589 K CB 0.107 32.499 32.500 -0.181 0.000 0.713 589 K HN -0.025 nan 8.250 nan 0.000 0.442 590 I N 1.090 121.571 120.570 -0.149 0.000 2.193 590 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 590 I C 2.532 178.636 176.117 -0.021 0.000 1.084 590 I CA 1.266 62.558 61.300 -0.014 0.000 1.365 590 I CB -1.025 36.994 38.000 0.032 0.000 1.064 590 I HN 0.371 nan 8.210 nan 0.000 0.410 591 M N 0.109 119.629 119.600 -0.133 0.000 2.086 591 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 591 M C 2.155 178.494 176.300 0.065 0.000 1.067 591 M CA 1.889 57.140 55.300 -0.081 0.000 1.116 591 M CB -0.397 32.067 32.600 -0.226 0.000 1.348 591 M HN 0.277 nan 8.290 nan 0.000 0.407 592 H N -0.786 118.150 119.070 -0.223 0.000 2.556 592 H HA 0.122 4.678 4.556 -0.000 0.000 0.268 592 H C 1.874 177.212 175.328 0.017 0.000 0.996 592 H CA 0.120 56.057 56.048 -0.184 0.000 1.157 592 H CB 0.082 29.654 29.762 -0.316 0.000 1.355 592 H HN 0.535 nan 8.280 nan 0.000 0.597 593 A N 1.643 124.563 122.820 0.168 0.000 2.024 593 A HA -0.146 4.173 4.320 -0.000 0.000 0.220 593 A C 2.150 179.929 177.584 0.324 0.000 1.164 593 A CA 1.225 53.399 52.037 0.228 0.000 0.643 593 A CB -0.680 18.429 19.000 0.181 0.000 0.806 593 A HN 0.597 nan 8.150 nan 0.000 0.451 594 I N -3.390 117.320 120.570 0.233 0.000 3.875 594 I HA 0.138 4.308 4.170 -0.000 0.000 0.329 594 I C 0.476 176.622 176.117 0.048 0.000 1.295 594 I CA -0.436 60.931 61.300 0.110 0.000 1.129 594 I CB -0.591 37.448 38.000 0.065 0.000 1.008 594 I HN 0.209 nan 8.210 nan 0.000 0.413 595 N N 3.094 121.885 118.700 0.153 0.000 2.293 595 N HA -0.122 4.618 4.740 -0.000 0.000 0.253 595 N C 0.180 175.658 175.510 -0.054 0.000 1.248 595 N CA 0.478 53.608 53.050 0.134 0.000 0.845 595 N CB 0.324 38.877 38.487 0.110 0.000 1.073 595 N HN 0.386 nan 8.380 nan 0.000 0.464 596 R N 0.218 120.655 120.500 -0.104 0.000 3.932 596 R HA -0.212 4.128 4.340 -0.000 0.000 0.318 596 R C -0.251 175.858 176.300 -0.319 0.000 1.219 596 R CA 1.559 57.535 56.100 -0.208 0.000 0.889 596 R CB -1.484 28.698 30.300 -0.196 0.000 1.309 596 R HN 0.764 nan 8.270 nan 0.000 0.537 597 R N -0.268 120.076 120.500 -0.260 0.000 2.593 597 R HA 0.258 4.598 4.340 -0.000 0.000 0.258 597 R C -0.522 175.707 176.300 -0.118 0.000 1.410 597 R CA -0.693 55.283 56.100 -0.207 0.000 1.537 597 R CB 0.220 30.307 30.300 -0.355 0.000 1.362 597 R HN -0.035 nan 8.270 nan 0.000 0.734 598 L N 1.046 122.181 121.223 -0.146 0.000 2.485 598 L HA 0.244 4.583 4.340 -0.000 0.000 0.275 598 L C 1.206 178.222 176.870 0.243 0.000 1.207 598 L CA 1.454 56.276 54.840 -0.031 0.000 0.855 598 L CB 0.627 42.451 42.059 -0.393 0.000 1.114 598 L HN 0.882 nan 8.230 nan 0.000 0.485 599 G N 1.039 110.077 108.800 0.397 0.000 2.157 599 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 599 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 599 G C 0.497 175.478 174.900 0.135 0.000 0.982 599 G CA 0.537 45.854 45.100 0.362 0.000 0.650 599 G HN 0.785 nan 8.290 nan 0.000 0.527 600 T N -2.915 111.676 114.554 0.061 0.000 3.422 600 T HA 0.463 4.813 4.350 -0.000 0.000 0.192 600 T C 1.732 176.475 174.700 0.072 0.000 0.857 600 T CA 1.028 63.109 62.100 -0.032 0.000 1.400 600 T CB -0.184 68.515 68.868 -0.281 0.000 1.864 600 T HN 0.132 nan 8.240 nan 0.000 0.415 601 F N 3.579 123.569 119.950 0.066 0.000 2.120 601 F HA 0.017 4.544 4.527 -0.000 0.000 0.300 601 F C 2.821 178.625 175.800 0.007 0.000 1.095 601 F CA 1.194 59.203 58.000 0.015 0.000 1.249 601 F CB -0.914 38.075 39.000 -0.019 0.000 0.995 601 F HN 0.520 nan 8.300 nan 0.000 0.480 602 E N 1.288 121.619 120.200 0.219 0.000 2.106 602 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 602 E C 2.303 178.998 176.600 0.158 0.000 0.984 602 E CA 1.792 58.282 56.400 0.151 0.000 0.806 602 E CB -1.390 28.398 29.700 0.148 0.000 0.750 602 E HN 0.355 nan 8.360 nan 0.000 0.458 603 V N 0.385 120.388 119.914 0.148 0.000 2.453 603 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 603 V C 2.038 178.189 176.094 0.096 0.000 1.048 603 V CA 1.937 64.292 62.300 0.092 0.000 1.049 603 V CB -0.426 31.399 31.823 0.004 0.000 0.672 603 V HN 0.113 nan 8.190 nan 0.000 0.457 604 E N 0.285 120.558 120.200 0.122 0.000 2.085 604 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 604 E C 1.953 178.618 176.600 0.108 0.000 0.994 604 E CA 1.775 58.250 56.400 0.125 0.000 0.801 604 E CB -0.215 29.595 29.700 0.183 0.000 0.743 604 E HN 0.654 nan 8.360 nan 0.000 0.453 605 D N 0.181 120.646 120.400 0.108 0.000 2.178 605 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 605 D C 1.961 178.345 176.300 0.140 0.000 0.974 605 D CA 0.736 54.797 54.000 0.103 0.000 0.841 605 D CB -0.065 40.790 40.800 0.092 0.000 0.953 605 D HN 0.104 nan 8.370 nan 0.000 0.478 606 Q N 0.078 119.997 119.800 0.199 0.000 2.079 606 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 606 Q C 2.560 178.659 176.000 0.165 0.000 0.974 606 Q CA 0.535 56.477 55.803 0.233 0.000 0.840 606 Q CB -0.112 28.765 28.738 0.230 0.000 0.898 606 Q HN 0.416 nan 8.270 nan 0.000 0.430 607 I N 0.871 121.540 120.570 0.165 0.000 2.142 607 I HA -0.246 3.923 4.170 -0.000 0.000 0.240 607 I C 2.520 178.651 176.117 0.024 0.000 1.078 607 I CA 1.053 62.480 61.300 0.212 0.000 1.343 607 I CB -0.263 37.841 38.000 0.173 0.000 1.046 607 I HN 0.155 nan 8.210 nan 0.000 0.405 608 E N 1.176 121.352 120.200 -0.040 0.000 2.058 608 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 608 E C 2.260 178.655 176.600 -0.341 0.000 0.997 608 E CA 1.743 58.063 56.400 -0.132 0.000 0.801 608 E CB -0.155 29.509 29.700 -0.060 0.000 0.746 608 E HN 0.472 nan 8.360 nan 0.000 0.450 609 A N 0.100 122.586 122.820 -0.556 0.000 1.902 609 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 609 A C 2.459 179.375 177.584 -1.113 0.000 1.181 609 A CA 2.265 53.652 52.037 -1.083 0.000 0.623 609 A CB -0.932 17.012 19.000 -1.759 0.000 0.818 609 A HN 0.316 nan 8.150 nan 0.000 0.443 610 T N -0.821 113.426 114.554 -0.512 0.000 2.788 610 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 610 T C 2.037 176.567 174.700 -0.283 0.000 1.044 610 T CA 1.349 63.322 62.100 -0.212 0.000 1.139 610 T CB -0.230 68.633 68.868 -0.008 0.000 0.867 610 T HN 0.492 nan 8.240 nan 0.000 0.454 611 R N 0.743 121.071 120.500 -0.288 0.000 2.091 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 611 R C 2.595 178.744 176.300 -0.252 0.000 1.136 611 R CA 1.427 57.389 56.100 -0.232 0.000 0.959 611 R CB -0.115 30.081 30.300 -0.174 0.000 0.856 611 R HN 0.513 nan 8.270 nan 0.000 0.437 612 Q N -0.816 118.758 119.800 -0.376 0.000 2.046 612 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 612 Q C 1.952 177.797 176.000 -0.260 0.000 0.975 612 Q CA 1.446 57.040 55.803 -0.349 0.000 0.836 612 Q CB -0.095 28.364 28.738 -0.465 0.000 0.896 612 Q HN 0.269 nan 8.270 nan 0.000 0.428 613 F N 0.852 120.645 119.950 -0.262 0.000 2.161 613 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 613 F C 2.709 178.358 175.800 -0.252 0.000 1.089 613 F CA 1.413 59.251 58.000 -0.269 0.000 1.282 613 F CB -1.214 37.650 39.000 -0.226 0.000 1.010 613 F HN 0.102 nan 8.300 nan 0.000 0.485 614 S N -0.470 115.198 115.700 -0.053 0.000 2.474 614 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 614 S C 1.622 176.147 174.600 -0.124 0.000 0.997 614 S CA 0.741 58.879 58.200 -0.103 0.000 0.949 614 S CB -0.473 62.644 63.200 -0.138 0.000 0.766 614 S HN 0.436 nan 8.310 nan 0.000 0.517 615 K N -0.008 120.311 120.400 -0.134 0.000 2.374 615 K HA 0.334 4.654 4.320 -0.000 0.000 0.196 615 K C 0.240 176.747 176.600 -0.155 0.000 1.023 615 K CA -0.101 56.110 56.287 -0.127 0.000 1.103 615 K CB 0.043 32.476 32.500 -0.112 0.000 0.848 615 K HN 0.438 nan 8.250 nan 0.000 0.528 616 M N -0.330 119.133 119.600 -0.228 0.000 2.240 616 M HA 0.037 4.517 4.480 -0.000 0.000 0.333 616 M C 1.598 177.672 176.300 -0.376 0.000 1.110 616 M CA 0.068 55.149 55.300 -0.365 0.000 1.173 616 M CB 0.905 33.112 32.600 -0.656 0.000 1.458 616 M HN 0.173 nan 8.290 nan 0.000 0.458 617 G N 1.423 110.046 108.800 -0.296 0.000 2.422 617 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 617 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 617 G C 0.777 175.663 174.900 -0.024 0.000 1.140 617 G CA 0.534 45.567 45.100 -0.112 0.000 0.775 617 G HN 0.783 nan 8.290 nan 0.000 0.545 618 F N 0.099 120.118 119.950 0.114 0.000 2.692 618 F HA 0.612 5.138 4.527 -0.000 0.000 0.303 618 F C -0.151 175.787 175.800 0.230 0.000 1.114 618 F CA -1.420 56.692 58.000 0.187 0.000 1.361 618 F CB -0.336 38.831 39.000 0.278 0.000 1.063 618 F HN -0.183 nan 8.300 nan 0.000 0.550 619 V N 1.381 121.319 119.914 0.040 0.000 2.495 619 V HA 0.217 4.337 4.120 -0.000 0.000 0.298 619 V C -0.797 175.294 176.094 -0.004 0.000 1.031 619 V CA -0.853 61.478 62.300 0.052 0.000 0.871 619 V CB 1.697 33.472 31.823 -0.080 0.000 0.988 619 V HN 0.062 nan 8.190 nan 0.000 0.432 620 D N 3.602 123.997 120.400 -0.009 0.000 2.411 620 D HA 0.088 4.728 4.640 -0.000 0.000 0.225 620 D C 0.963 177.217 176.300 -0.077 0.000 1.156 620 D CA -0.410 53.555 54.000 -0.058 0.000 0.874 620 D CB 1.193 41.937 40.800 -0.094 0.000 1.034 620 D HN 0.692 nan 8.370 nan 0.000 0.502 621 D N 2.952 123.309 120.400 -0.072 0.000 2.351 621 D HA -0.179 4.461 4.640 -0.000 0.000 0.216 621 D C 0.753 177.013 176.300 -0.065 0.000 0.968 621 D CA 0.786 54.738 54.000 -0.081 0.000 0.899 621 D CB 0.008 40.757 40.800 -0.084 0.000 0.907 621 D HN 0.402 nan 8.370 nan 0.000 0.514 622 K N -0.407 119.962 120.400 -0.052 0.000 2.404 622 K HA 0.179 4.498 4.320 -0.000 0.000 0.194 622 K C 0.478 177.076 176.600 -0.003 0.000 1.023 622 K CA -0.008 56.265 56.287 -0.024 0.000 1.094 622 K CB 0.648 33.135 32.500 -0.022 0.000 0.841 622 K HN -0.017 nan 8.250 nan 0.000 0.523 623 R N 1.314 121.784 120.500 -0.051 0.000 2.644 623 R HA 0.365 4.705 4.340 -0.000 0.000 0.271 623 R C -1.081 175.168 176.300 -0.086 0.000 1.687 623 R CA -0.124 55.930 56.100 -0.076 0.000 1.655 623 R CB 0.674 30.778 30.300 -0.327 0.000 1.285 623 R HN -0.004 nan 8.270 nan 0.000 0.643 624 I N 1.070 121.733 120.570 0.156 0.000 2.498 624 I HA 0.614 4.784 4.170 -0.000 0.000 0.290 624 I C -0.191 176.196 176.117 0.451 0.000 1.032 624 I CA -0.833 60.590 61.300 0.204 0.000 1.073 624 I CB 2.068 40.029 38.000 -0.065 0.000 1.251 624 I HN 0.349 nan 8.210 nan 0.000 0.426 625 A N 6.778 129.965 122.820 0.612 0.000 2.437 625 A HA 0.940 5.260 4.320 -0.000 0.000 0.292 625 A C -1.288 176.676 177.584 0.633 0.000 1.173 625 A CA -0.656 51.729 52.037 0.579 0.000 0.785 625 A CB 2.297 21.497 19.000 0.333 0.000 1.351 625 A HN 0.727 nan 8.150 nan 0.000 0.431 626 I N 0.351 121.230 120.570 0.514 0.000 2.752 626 I HA 0.682 4.851 4.170 -0.000 0.000 0.295 626 I C -1.987 174.404 176.117 0.457 0.000 1.219 626 I CA -0.541 61.012 61.300 0.420 0.000 1.030 626 I CB 1.660 39.710 38.000 0.083 0.000 1.259 626 I HN 0.950 nan 8.210 nan 0.000 0.423 627 W N 7.105 128.555 121.300 0.250 0.000 3.118 627 W HA 0.863 5.522 4.660 -0.000 0.000 0.328 627 W C -1.424 175.247 176.519 0.254 0.000 1.239 627 W CA -0.947 56.545 57.345 0.246 0.000 1.176 627 W CB 1.136 30.791 29.460 0.326 0.000 1.433 627 W HN 0.834 nan 8.180 nan 0.000 0.562 628 G N 0.667 109.358 108.800 -0.183 0.000 2.523 628 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 628 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 628 G C -2.747 172.030 174.900 -0.205 0.000 1.450 628 G CA -0.773 44.031 45.100 -0.493 0.000 0.790 628 G HN 0.593 nan 8.290 nan 0.000 0.496 629 W N 0.937 122.029 121.300 -0.347 0.000 2.666 629 W HA 0.565 5.225 4.660 -0.000 0.000 0.334 629 W C 0.836 177.288 176.519 -0.112 0.000 1.051 629 W CA 0.561 57.794 57.345 -0.185 0.000 1.224 629 W CB 1.680 31.024 29.460 -0.194 0.000 1.405 629 W HN 1.080 nan 8.180 nan 0.000 0.513 630 S N 1.673 117.528 115.700 0.258 0.000 4.116 630 S HA -0.430 4.040 4.470 -0.000 0.000 0.623 630 S C 0.790 175.476 174.600 0.144 0.000 1.933 630 S CA 1.571 59.913 58.200 0.237 0.000 4.224 630 S CB -1.524 61.861 63.200 0.308 0.000 0.208 630 S HN 0.737 nan 8.310 nan 0.000 0.527 631 Y N 3.129 123.472 120.300 0.071 0.000 2.256 631 Y HA -0.020 4.530 4.550 -0.000 0.000 0.288 631 Y C 2.432 178.503 175.900 0.285 0.000 1.155 631 Y CA 2.204 60.444 58.100 0.233 0.000 1.203 631 Y CB -1.005 37.701 38.460 0.409 0.000 0.980 631 Y HN 0.560 nan 8.280 nan 0.000 0.530 632 G N -1.046 107.993 108.800 0.397 0.000 2.432 632 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 632 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 632 G C 1.891 176.870 174.900 0.131 0.000 1.135 632 G CA 0.743 46.001 45.100 0.263 0.000 0.767 632 G HN 0.575 nan 8.290 nan 0.000 0.550 633 G N -0.207 108.651 108.800 0.097 0.000 2.394 633 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.215 633 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.215 633 G C 1.590 176.533 174.900 0.072 0.000 1.165 633 G CA 0.994 46.125 45.100 0.052 0.000 0.784 633 G HN 0.405 nan 8.290 nan 0.000 0.535 634 Y N 1.429 121.668 120.300 -0.102 0.000 2.128 634 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 634 Y C 2.725 178.569 175.900 -0.093 0.000 1.154 634 Y CA 1.658 59.646 58.100 -0.187 0.000 1.149 634 Y CB -0.484 37.716 38.460 -0.433 0.000 0.976 634 Y HN 0.029 nan 8.280 nan 0.000 0.505 635 V N -0.293 119.562 119.914 -0.099 0.000 2.343 635 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 635 V C 2.334 178.348 176.094 -0.133 0.000 1.051 635 V CA 2.417 64.643 62.300 -0.124 0.000 1.036 635 V CB -1.137 30.792 31.823 0.176 0.000 0.654 635 V HN 0.495 nan 8.190 nan 0.000 0.451 636 T N -0.091 114.438 114.554 -0.041 0.000 2.699 636 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 636 T C 2.122 176.764 174.700 -0.096 0.000 1.036 636 T CA 2.073 64.147 62.100 -0.043 0.000 1.147 636 T CB -0.254 68.667 68.868 0.088 0.000 0.862 636 T HN 0.527 nan 8.240 nan 0.000 0.446 637 S N 0.888 116.556 115.700 -0.055 0.000 2.368 637 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 637 S C 2.140 176.638 174.600 -0.171 0.000 1.029 637 S CA 0.868 59.044 58.200 -0.039 0.000 0.988 637 S CB -0.252 62.986 63.200 0.064 0.000 0.838 637 S HN 0.311 nan 8.310 nan 0.000 0.462 638 M N 1.075 120.491 119.600 -0.307 0.000 2.117 638 M HA -0.036 4.443 4.480 -0.000 0.000 0.262 638 M C 2.230 178.369 176.300 -0.268 0.000 1.065 638 M CA 1.076 56.188 55.300 -0.314 0.000 1.114 638 M CB -1.521 30.801 32.600 -0.463 0.000 1.361 638 M HN 0.166 nan 8.290 nan 0.000 0.408 639 V N 0.825 120.568 119.914 -0.285 0.000 2.237 639 V HA -0.272 3.847 4.120 -0.000 0.000 0.245 639 V C 2.579 178.449 176.094 -0.374 0.000 1.046 639 V CA 1.620 63.733 62.300 -0.313 0.000 1.007 639 V CB -0.744 30.802 31.823 -0.460 0.000 0.638 639 V HN 0.405 nan 8.190 nan 0.000 0.445 640 L N 0.420 121.361 121.223 -0.469 0.000 2.129 640 L HA -0.138 4.201 4.340 -0.000 0.000 0.212 640 L C 2.314 178.696 176.870 -0.814 0.000 1.087 640 L CA 1.677 56.170 54.840 -0.579 0.000 0.757 640 L CB -0.872 40.788 42.059 -0.665 0.000 0.896 640 L HN 0.516 nan 8.230 nan 0.000 0.434 641 G N -1.375 106.924 108.800 -0.835 0.000 2.985 641 G HA2 0.131 4.091 3.960 -0.000 0.000 0.209 641 G HA3 0.131 4.091 3.960 -0.000 0.000 0.209 641 G C 1.549 176.284 174.900 -0.275 0.000 1.165 641 G CA 0.511 45.218 45.100 -0.656 0.000 0.776 641 G HN 0.410 nan 8.290 nan 0.000 0.541 642 A N 0.052 122.738 122.820 -0.223 0.000 2.067 642 A HA 0.423 4.743 4.320 -0.000 0.000 0.217 642 A C 2.110 179.654 177.584 -0.067 0.000 1.156 642 A CA 1.379 53.352 52.037 -0.106 0.000 0.683 642 A CB -0.424 18.536 19.000 -0.068 0.000 0.808 642 A HN 1.471 nan 8.150 nan 0.000 0.455 643 G N -0.276 108.473 108.800 -0.085 0.000 2.198 643 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 643 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 643 G C 0.929 175.827 174.900 -0.003 0.000 1.042 643 G CA 1.221 46.296 45.100 -0.042 0.000 0.791 643 G HN 1.457 nan 8.290 nan 0.000 0.502 644 S N -0.970 114.745 115.700 0.025 0.000 2.489 644 S HA 0.347 4.817 4.470 -0.000 0.000 0.228 644 S C 2.467 177.091 174.600 0.041 0.000 0.995 644 S CA 1.425 59.656 58.200 0.050 0.000 0.934 644 S CB -0.013 63.252 63.200 0.109 0.000 0.771 644 S HN 2.363 nan 8.310 nan 0.000 0.522 645 G N 0.387 109.215 108.800 0.047 0.000 2.189 645 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 645 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 645 G C 0.807 175.714 174.900 0.012 0.000 0.975 645 G CA 0.515 45.633 45.100 0.029 0.000 0.644 645 G HN 0.657 nan 8.290 nan 0.000 0.537 646 V N -0.467 119.451 119.914 0.006 0.000 2.488 646 V HA 0.240 4.360 4.120 -0.000 0.000 0.246 646 V C 1.228 177.143 176.094 -0.298 0.000 1.046 646 V CA 1.562 63.746 62.300 -0.193 0.000 1.053 646 V CB -0.357 31.245 31.823 -0.368 0.000 0.679 646 V HN 0.297 nan 8.190 nan 0.000 0.458 647 F N 0.035 120.009 119.950 0.039 0.000 2.420 647 F HA 0.403 4.930 4.527 -0.000 0.000 0.342 647 F C 1.087 176.935 175.800 0.080 0.000 1.113 647 F CA -0.605 57.444 58.000 0.081 0.000 1.059 647 F CB 1.288 40.337 39.000 0.081 0.000 1.128 647 F HN -0.231 nan 8.300 nan 0.000 0.475 648 K N 1.713 122.273 120.400 0.267 0.000 2.137 648 K HA 0.099 4.418 4.320 -0.000 0.000 0.202 648 K C -0.091 176.637 176.600 0.213 0.000 1.052 648 K CA 0.915 57.323 56.287 0.202 0.000 0.961 648 K CB 0.252 32.869 32.500 0.195 0.000 0.741 648 K HN 0.811 nan 8.250 nan 0.000 0.452 649 c N -2.864 115.899 118.600 0.272 0.000 3.321 649 c HA 0.893 5.463 4.570 -0.000 0.000 0.329 649 c C -0.227 174.087 174.090 0.373 0.000 1.394 649 c CA -0.636 55.870 56.329 0.295 0.000 1.291 649 c CB 1.114 43.719 42.510 0.159 0.000 1.606 649 c HN 0.338 nan 8.230 nan 0.000 0.463 650 G N -0.078 109.013 108.800 0.484 0.000 2.646 650 G HA2 0.728 4.688 3.960 -0.000 0.000 0.291 650 G HA3 0.728 4.688 3.960 -0.000 0.000 0.291 650 G C -2.029 173.141 174.900 0.449 0.000 1.445 650 G CA -0.703 44.664 45.100 0.445 0.000 0.814 650 G HN 1.006 nan 8.290 nan 0.000 0.495 651 I N 0.639 121.430 120.570 0.368 0.000 2.499 651 I HA 0.618 4.788 4.170 -0.000 0.000 0.288 651 I C 0.112 176.358 176.117 0.214 0.000 1.048 651 I CA -0.965 60.431 61.300 0.159 0.000 1.062 651 I CB 2.279 40.356 38.000 0.129 0.000 1.238 651 I HN 0.664 nan 8.210 nan 0.000 0.426 652 A N 6.372 129.215 122.820 0.037 0.000 2.304 652 A HA 0.798 5.117 4.320 -0.000 0.000 0.314 652 A C -0.803 176.684 177.584 -0.161 0.000 1.187 652 A CA -0.521 51.538 52.037 0.036 0.000 0.810 652 A CB 1.222 20.312 19.000 0.151 0.000 1.183 652 A HN 0.438 nan 8.150 nan 0.000 0.487 653 V N 2.116 121.868 119.914 -0.269 0.000 2.417 653 V HA 0.572 4.691 4.120 -0.000 0.000 0.291 653 V C 0.913 176.578 176.094 -0.714 0.000 1.024 653 V CA 0.352 62.269 62.300 -0.640 0.000 0.861 653 V CB 0.859 31.959 31.823 -1.205 0.000 0.985 653 V HN 2.121 nan 8.190 nan 0.000 0.436 654 A N 5.610 127.997 122.820 -0.721 0.000 2.560 654 A HA -0.103 4.217 4.320 -0.000 0.000 0.299 654 A C -1.818 175.576 177.584 -0.317 0.000 1.484 654 A CA 0.498 52.017 52.037 -0.863 0.000 0.749 654 A CB -1.567 17.105 19.000 -0.547 0.000 1.072 654 A HN 0.606 nan 8.150 nan 0.000 0.426 655 P HA 0.474 nan 4.420 nan 0.000 0.279 655 P C 0.133 177.389 177.300 -0.074 0.000 1.252 655 P CA -0.333 62.726 63.100 -0.068 0.000 0.811 655 P CB 1.409 33.101 31.700 -0.014 0.000 1.035 656 V N 1.837 121.620 119.914 -0.219 0.000 2.649 656 V HA 0.116 4.236 4.120 -0.000 0.000 0.292 656 V C 1.641 177.567 176.094 -0.279 0.000 1.055 656 V CA 0.855 62.896 62.300 -0.431 0.000 1.023 656 V CB 0.921 32.087 31.823 -1.095 0.000 0.992 656 V HN 0.846 nan 8.190 nan 0.000 0.480 657 S N 2.567 118.140 115.700 -0.211 0.000 2.593 657 S HA 0.299 4.768 4.470 -0.000 0.000 0.235 657 S C 0.294 174.783 174.600 -0.184 0.000 1.059 657 S CA -0.258 57.890 58.200 -0.086 0.000 0.953 657 S CB 0.282 63.479 63.200 -0.005 0.000 0.897 657 S HN 0.642 nan 8.310 nan 0.000 0.507 658 K N -0.308 119.884 120.400 -0.347 0.000 2.588 658 K HA 0.289 4.609 4.320 -0.000 0.000 0.250 658 K C -0.942 175.396 176.600 -0.437 0.000 0.972 658 K CA -0.686 55.332 56.287 -0.448 0.000 0.821 658 K CB 0.741 32.819 32.500 -0.704 0.000 1.249 658 K HN 0.159 nan 8.250 nan 0.000 0.442 659 W N 2.167 123.429 121.300 -0.063 0.000 2.350 659 W HA -0.155 4.504 4.660 -0.000 0.000 0.289 659 W C 1.248 177.912 176.519 0.241 0.000 1.215 659 W CA 0.908 58.303 57.345 0.083 0.000 1.236 659 W CB 0.237 29.704 29.460 0.013 0.000 1.130 659 W HN 0.755 nan 8.180 nan 0.000 0.541 660 E N -1.154 119.223 120.200 0.295 0.000 2.401 660 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 660 E C 1.303 178.029 176.600 0.210 0.000 1.023 660 E CA 0.950 57.449 56.400 0.164 0.000 0.859 660 E CB -0.392 29.283 29.700 -0.042 0.000 0.780 660 E HN 0.377 nan 8.360 nan 0.000 0.523 661 Y N -1.501 118.891 120.300 0.154 0.000 2.517 661 Y HA 0.088 4.638 4.550 -0.000 0.000 0.281 661 Y C 0.654 176.653 175.900 0.165 0.000 1.125 661 Y CA -0.430 57.730 58.100 0.099 0.000 1.283 661 Y CB -0.405 38.060 38.460 0.009 0.000 1.042 661 Y HN 0.027 nan 8.280 nan 0.000 0.547 662 Y N 2.090 122.541 120.300 0.251 0.000 2.334 662 Y HA 0.254 4.804 4.550 -0.000 0.000 0.325 662 Y C 0.425 176.532 175.900 0.345 0.000 1.308 662 Y CA -2.017 56.234 58.100 0.253 0.000 1.389 662 Y CB 0.274 38.913 38.460 0.298 0.000 1.328 662 Y HN 0.201 nan 8.280 nan 0.000 0.532 663 D N -0.364 119.703 120.400 -0.554 0.000 2.400 663 D HA 0.039 4.678 4.640 -0.000 0.000 0.238 663 D C 0.987 177.255 176.300 -0.054 0.000 1.157 663 D CA 0.497 54.264 54.000 -0.388 0.000 0.889 663 D CB 0.755 41.122 40.800 -0.722 0.000 1.199 663 D HN 0.483 nan 8.370 nan 0.000 0.436 664 S N 1.216 116.896 115.700 -0.033 0.000 2.356 664 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 664 S C 1.931 176.565 174.600 0.057 0.000 1.032 664 S CA 1.159 59.397 58.200 0.065 0.000 1.005 664 S CB -0.999 62.242 63.200 0.067 0.000 0.867 664 S HN 0.427 nan 8.310 nan 0.000 0.449 665 V N 0.937 120.826 119.914 -0.041 0.000 2.255 665 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 665 V C 2.346 178.385 176.094 -0.092 0.000 1.051 665 V CA 2.353 64.552 62.300 -0.167 0.000 1.018 665 V CB -1.096 30.470 31.823 -0.428 0.000 0.641 665 V HN 0.639 nan 8.190 nan 0.000 0.445 666 Y N 1.096 121.360 120.300 -0.061 0.000 2.184 666 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 666 Y C 2.679 178.631 175.900 0.087 0.000 1.129 666 Y CA 2.158 60.304 58.100 0.076 0.000 1.144 666 Y CB -0.585 38.101 38.460 0.377 0.000 0.995 666 Y HN 0.213 nan 8.280 nan 0.000 0.513 667 T N 0.512 115.332 114.554 0.443 0.000 2.674 667 T HA -0.204 4.145 4.350 -0.000 0.000 0.265 667 T C 1.595 176.298 174.700 0.006 0.000 1.039 667 T CA 1.983 64.275 62.100 0.320 0.000 1.150 667 T CB -0.320 68.868 68.868 0.534 0.000 0.864 667 T HN 0.435 nan 8.240 nan 0.000 0.427 668 E N 0.518 120.741 120.200 0.038 0.000 2.204 668 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 668 E C 2.357 178.841 176.600 -0.194 0.000 0.990 668 E CA 0.596 56.994 56.400 -0.003 0.000 0.821 668 E CB -0.133 29.606 29.700 0.065 0.000 0.750 668 E HN 0.308 nan 8.360 nan 0.000 0.477 669 R N 0.005 120.244 120.500 -0.434 0.000 2.117 669 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 669 R C 1.279 177.059 176.300 -0.867 0.000 1.143 669 R CA 1.679 57.332 56.100 -0.744 0.000 0.968 669 R CB -0.016 29.508 30.300 -1.294 0.000 0.863 669 R HN 0.250 nan 8.270 nan 0.000 0.444 670 Y N -2.619 117.367 120.300 -0.523 0.000 2.498 670 Y HA 0.229 4.779 4.550 -0.000 0.000 0.259 670 Y C 1.604 177.280 175.900 -0.374 0.000 1.086 670 Y CA -0.063 57.711 58.100 -0.544 0.000 1.287 670 Y CB 0.454 38.445 38.460 -0.781 0.000 1.146 670 Y HN -0.041 nan 8.280 nan 0.000 0.523 671 M N -0.315 119.151 119.600 -0.223 0.000 2.308 671 M HA 0.375 4.855 4.480 -0.000 0.000 0.269 671 M C 1.079 177.356 176.300 -0.039 0.000 1.040 671 M CA 0.730 55.882 55.300 -0.247 0.000 1.024 671 M CB -0.324 31.937 32.600 -0.565 0.000 1.465 671 M HN 0.346 nan 8.290 nan 0.000 0.517 672 G N 1.804 110.609 108.800 0.008 0.000 2.598 672 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 672 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 672 G C -0.811 174.212 174.900 0.207 0.000 1.302 672 G CA -0.786 44.363 45.100 0.081 0.000 0.903 672 G HN 0.248 nan 8.290 nan 0.000 0.575 673 L N 2.697 124.019 121.223 0.165 0.000 2.325 673 L HA 0.540 4.879 4.340 -0.000 0.000 0.279 673 L C -1.358 175.553 176.870 0.069 0.000 1.054 673 L CA -2.002 52.902 54.840 0.107 0.000 0.804 673 L CB 1.304 43.385 42.059 0.037 0.000 1.200 673 L HN 0.439 nan 8.230 nan 0.000 0.436 674 P HA 0.113 nan 4.420 nan 0.000 0.225 674 P C -0.810 176.370 177.300 -0.201 0.000 1.813 674 P CA -0.147 62.617 63.100 -0.559 0.000 1.013 674 P CB -0.368 30.618 31.700 -1.190 0.000 1.961 675 T N -2.020 112.503 114.554 -0.052 0.000 2.907 675 T HA 0.454 4.804 4.350 -0.000 0.000 0.292 675 T C -2.062 172.651 174.700 0.021 0.000 1.043 675 T CA -2.393 59.694 62.100 -0.020 0.000 1.003 675 T CB 2.088 70.949 68.868 -0.011 0.000 1.084 675 T HN -0.181 nan 8.240 nan 0.000 0.483 676 P HA -0.138 nan 4.420 nan 0.000 0.219 676 P C 1.109 178.433 177.300 0.040 0.000 1.146 676 P CA 1.148 64.268 63.100 0.034 0.000 0.808 676 P CB 0.176 31.889 31.700 0.022 0.000 0.779 677 E N -0.901 119.317 120.200 0.030 0.000 2.482 677 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 677 E C 0.884 177.507 176.600 0.039 0.000 1.047 677 E CA 0.598 57.015 56.400 0.029 0.000 0.869 677 E CB -0.243 29.468 29.700 0.017 0.000 0.836 677 E HN 0.229 nan 8.360 nan 0.000 0.520 678 D N 1.151 121.582 120.400 0.052 0.000 3.221 678 D HA 0.080 4.720 4.640 -0.000 0.000 0.207 678 D C 0.318 176.683 176.300 0.108 0.000 1.292 678 D CA -0.138 53.902 54.000 0.068 0.000 1.410 678 D CB -0.179 40.660 40.800 0.064 0.000 0.956 678 D HN 0.055 nan 8.370 nan 0.000 0.177 679 N N 0.098 118.897 118.700 0.166 0.000 2.291 679 N HA 0.051 4.791 4.740 -0.000 0.000 0.244 679 N C 1.266 177.002 175.510 0.376 0.000 1.216 679 N CA -0.104 53.096 53.050 0.249 0.000 0.879 679 N CB 0.787 39.409 38.487 0.225 0.000 1.167 679 N HN 0.011 nan 8.380 nan 0.000 0.515 680 L N 1.251 122.623 121.223 0.248 0.000 2.081 680 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 680 L C 1.404 178.410 176.870 0.226 0.000 1.080 680 L CA 1.964 56.927 54.840 0.205 0.000 0.754 680 L CB -0.463 41.635 42.059 0.065 0.000 0.893 680 L HN 0.146 nan 8.230 nan 0.000 0.433 681 D N -1.310 119.198 120.400 0.181 0.000 2.133 681 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 681 D C 1.984 178.300 176.300 0.026 0.000 0.997 681 D CA 1.745 55.800 54.000 0.092 0.000 0.840 681 D CB -0.261 40.587 40.800 0.079 0.000 0.947 681 D HN 0.480 nan 8.370 nan 0.000 0.452 682 Y N -1.177 119.180 120.300 0.094 0.000 2.519 682 Y HA -0.029 4.521 4.550 -0.000 0.000 0.287 682 Y C 1.791 177.728 175.900 0.062 0.000 1.128 682 Y CA 0.311 58.436 58.100 0.042 0.000 1.282 682 Y CB -0.165 38.277 38.460 -0.031 0.000 1.027 682 Y HN 0.052 nan 8.280 nan 0.000 0.551 683 Y N -0.493 119.906 120.300 0.165 0.000 2.286 683 Y HA -0.137 4.413 4.550 -0.000 0.000 0.293 683 Y C 2.317 178.275 175.900 0.096 0.000 1.124 683 Y CA 0.999 59.193 58.100 0.156 0.000 1.178 683 Y CB 0.071 38.601 38.460 0.116 0.000 1.010 683 Y HN -0.148 nan 8.280 nan 0.000 0.536 684 R N 0.507 121.137 120.500 0.218 0.000 2.092 684 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 684 R C 1.254 177.582 176.300 0.047 0.000 1.119 684 R CA 1.477 57.634 56.100 0.096 0.000 0.970 684 R CB -0.932 29.399 30.300 0.051 0.000 0.864 684 R HN 0.493 nan 8.270 nan 0.000 0.440 685 N N -0.005 118.701 118.700 0.010 0.000 2.235 685 N HA -0.037 4.702 4.740 -0.000 0.000 0.209 685 N C 0.205 175.729 175.510 0.024 0.000 1.122 685 N CA 0.305 53.342 53.050 -0.021 0.000 0.845 685 N CB 0.368 38.791 38.487 -0.105 0.000 1.004 685 N HN 0.016 nan 8.380 nan 0.000 0.499 686 S N -1.285 114.478 115.700 0.105 0.000 2.568 686 S HA 0.079 4.549 4.470 -0.000 0.000 0.232 686 S C 0.604 175.347 174.600 0.237 0.000 0.975 686 S CA -0.398 57.926 58.200 0.207 0.000 0.949 686 S CB -0.668 62.726 63.200 0.323 0.000 0.829 686 S HN 0.345 nan 8.310 nan 0.000 0.479 687 T N -0.896 113.728 114.554 0.118 0.000 2.882 687 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 687 T C 1.329 176.060 174.700 0.052 0.000 1.014 687 T CA -0.527 61.608 62.100 0.058 0.000 1.049 687 T CB 1.248 70.107 68.868 -0.015 0.000 1.001 687 T HN -0.043 nan 8.240 nan 0.000 0.525 688 V N 1.614 121.548 119.914 0.032 0.000 2.453 688 V HA -0.102 4.017 4.120 -0.000 0.000 0.247 688 V C 2.606 178.685 176.094 -0.025 0.000 1.048 688 V CA 1.403 63.702 62.300 -0.002 0.000 1.049 688 V CB -0.972 30.838 31.823 -0.021 0.000 0.672 688 V HN 0.805 nan 8.190 nan 0.000 0.457 689 M N 1.329 120.898 119.600 -0.051 0.000 2.195 689 M HA -0.166 4.313 4.480 -0.000 0.000 0.260 689 M C 2.286 178.566 176.300 -0.032 0.000 1.066 689 M CA 2.082 57.341 55.300 -0.069 0.000 1.089 689 M CB -1.028 31.540 32.600 -0.052 0.000 1.377 689 M HN 0.529 nan 8.290 nan 0.000 0.411 690 S N -0.348 115.346 115.700 -0.009 0.000 2.507 690 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 690 S C 1.721 176.331 174.600 0.016 0.000 0.988 690 S CA 0.627 58.828 58.200 0.001 0.000 0.944 690 S CB -0.404 62.797 63.200 0.003 0.000 0.762 690 S HN 0.552 nan 8.310 nan 0.000 0.526 691 R N 0.334 120.857 120.500 0.039 0.000 2.468 691 R HA 0.458 4.797 4.340 -0.000 0.000 0.280 691 R C 2.111 178.517 176.300 0.176 0.000 0.963 691 R CA 0.413 56.561 56.100 0.080 0.000 1.083 691 R CB -0.166 30.178 30.300 0.073 0.000 1.200 691 R HN 0.450 nan 8.270 nan 0.000 0.541 692 A N 1.761 124.634 122.820 0.087 0.000 1.903 692 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 692 A C 1.780 179.448 177.584 0.140 0.000 1.191 692 A CA 1.784 53.842 52.037 0.036 0.000 0.638 692 A CB -0.228 18.725 19.000 -0.079 0.000 0.823 692 A HN 0.211 nan 8.150 nan 0.000 0.451 693 E N -0.009 120.248 120.200 0.094 0.000 2.160 693 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 693 E C 1.645 178.309 176.600 0.106 0.000 0.991 693 E CA 1.420 57.872 56.400 0.087 0.000 0.810 693 E CB -0.409 29.322 29.700 0.052 0.000 0.742 693 E HN 0.814 nan 8.360 nan 0.000 0.466 694 N N -0.846 117.914 118.700 0.101 0.000 2.512 694 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 694 N C 0.629 176.126 175.510 -0.022 0.000 1.073 694 N CA 0.017 53.077 53.050 0.016 0.000 0.911 694 N CB -0.025 38.422 38.487 -0.067 0.000 0.964 694 N HN 0.103 nan 8.380 nan 0.000 0.447 695 F N 1.445 121.358 119.950 -0.062 0.000 2.604 695 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 695 F C 1.889 177.705 175.800 0.026 0.000 1.131 695 F CA 0.647 58.609 58.000 -0.062 0.000 1.457 695 F CB 0.073 38.992 39.000 -0.136 0.000 1.095 695 F HN -0.091 nan 8.300 nan 0.000 0.574 696 K N -0.021 120.490 120.400 0.186 0.000 2.280 696 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 696 K C 1.627 178.294 176.600 0.112 0.000 1.047 696 K CA 1.109 57.485 56.287 0.148 0.000 0.942 696 K CB -0.207 32.357 32.500 0.108 0.000 0.739 696 K HN 0.421 nan 8.250 nan 0.000 0.457 697 Q N 0.384 120.227 119.800 0.072 0.000 2.432 697 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 697 Q C 0.592 176.630 176.000 0.064 0.000 0.945 697 Q CA 0.290 56.123 55.803 0.051 0.000 0.924 697 Q CB 0.403 29.151 28.738 0.015 0.000 1.016 697 Q HN 0.154 nan 8.270 nan 0.000 0.503 698 V N -3.129 116.835 119.914 0.084 0.000 3.141 698 V HA 0.469 4.589 4.120 -0.000 0.000 0.312 698 V C -1.107 175.122 176.094 0.225 0.000 1.157 698 V CA -1.311 61.062 62.300 0.123 0.000 1.041 698 V CB 2.235 34.089 31.823 0.052 0.000 1.071 698 V HN -0.059 nan 8.190 nan 0.000 0.441 699 E N 1.122 121.484 120.200 0.270 0.000 2.134 699 E HA 0.494 4.844 4.350 -0.000 0.000 0.278 699 E C -1.887 175.085 176.600 0.621 0.000 0.959 699 E CA -0.343 56.287 56.400 0.383 0.000 0.783 699 E CB 1.813 31.656 29.700 0.239 0.000 1.095 699 E HN 0.686 nan 8.360 nan 0.000 0.399 700 Y N 3.255 123.836 120.300 0.469 0.000 2.462 700 Y HA 0.462 5.011 4.550 -0.000 0.000 0.346 700 Y C -1.689 174.292 175.900 0.136 0.000 0.976 700 Y CA -1.142 57.175 58.100 0.361 0.000 1.044 700 Y CB 1.117 39.826 38.460 0.416 0.000 1.230 700 Y HN 0.443 nan 8.280 nan 0.000 0.455 701 L N 7.684 128.591 121.223 -0.527 0.000 2.349 701 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 701 L C -1.765 174.622 176.870 -0.805 0.000 0.996 701 L CA -0.846 53.538 54.840 -0.760 0.000 0.825 701 L CB 1.364 42.698 42.059 -1.209 0.000 1.243 701 L HN 0.690 nan 8.230 nan 0.000 0.412 702 L N 6.441 127.290 121.223 -0.623 0.000 2.298 702 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 702 L C -0.927 175.800 176.870 -0.238 0.000 1.013 702 L CA -0.485 54.066 54.840 -0.483 0.000 0.824 702 L CB 1.602 43.448 42.059 -0.355 0.000 1.221 702 L HN 0.609 nan 8.230 nan 0.000 0.418 703 I N 4.078 124.518 120.570 -0.216 0.000 2.509 703 I HA 0.484 4.653 4.170 -0.000 0.000 0.293 703 I C -0.752 175.331 176.117 -0.058 0.000 1.020 703 I CA -0.638 60.585 61.300 -0.129 0.000 1.088 703 I CB 1.871 39.759 38.000 -0.187 0.000 1.267 703 I HN 0.498 nan 8.210 nan 0.000 0.430 704 H N 3.051 122.159 119.070 0.064 0.000 3.086 704 H HA 0.409 4.965 4.556 -0.000 0.000 0.353 704 H C -0.723 174.820 175.328 0.358 0.000 1.134 704 H CA -0.640 55.506 56.048 0.165 0.000 1.248 704 H CB 2.399 32.228 29.762 0.112 0.000 1.878 704 H HN 0.736 nan 8.280 nan 0.000 0.527 705 G N 1.062 110.216 108.800 0.589 0.000 2.390 705 G HA2 0.229 4.189 3.960 -0.000 0.000 0.270 705 G HA3 0.229 4.189 3.960 -0.000 0.000 0.270 705 G C 1.101 176.236 174.900 0.391 0.000 1.211 705 G CA 0.191 45.565 45.100 0.457 0.000 0.842 705 G HN 0.654 nan 8.290 nan 0.000 0.519 706 T N -0.629 113.988 114.554 0.104 0.000 2.995 706 T HA 0.076 4.426 4.350 -0.000 0.000 0.269 706 T C 1.654 176.282 174.700 -0.121 0.000 1.091 706 T CA 1.240 63.191 62.100 -0.247 0.000 1.128 706 T CB 0.170 68.832 68.868 -0.344 0.000 0.891 706 T HN 0.687 nan 8.240 nan 0.000 0.492 707 A N 1.048 123.889 122.820 0.035 0.000 2.708 707 A HA 0.317 4.636 4.320 -0.000 0.000 0.293 707 A C 0.324 177.874 177.584 -0.058 0.000 1.303 707 A CA -0.537 51.516 52.037 0.026 0.000 0.949 707 A CB -0.265 19.005 19.000 0.450 0.000 1.121 707 A HN 0.375 nan 8.150 nan 0.000 0.542 708 D N 1.451 121.819 120.400 -0.053 0.000 2.338 708 D HA 0.009 4.649 4.640 -0.000 0.000 0.255 708 D C 0.280 176.531 176.300 -0.082 0.000 1.237 708 D CA 0.102 54.177 54.000 0.125 0.000 0.883 708 D CB 0.760 41.794 40.800 0.391 0.000 1.087 708 D HN 0.568 nan 8.370 nan 0.000 0.485 709 D N 2.385 122.798 120.400 0.022 0.000 2.348 709 D HA -0.129 4.511 4.640 -0.000 0.000 0.211 709 D C 0.952 177.194 176.300 -0.096 0.000 0.998 709 D CA -0.102 53.853 54.000 -0.075 0.000 0.873 709 D CB 0.467 41.179 40.800 -0.147 0.000 0.925 709 D HN 0.222 nan 8.370 nan 0.000 0.524 710 N N 0.946 119.693 118.700 0.078 0.000 2.335 710 N HA -0.052 4.688 4.740 -0.000 0.000 0.197 710 N C -0.027 175.402 175.510 -0.134 0.000 1.045 710 N CA 0.511 53.628 53.050 0.110 0.000 0.928 710 N CB 0.356 38.923 38.487 0.135 0.000 1.118 710 N HN -0.109 nan 8.380 nan 0.000 0.471 711 V N 2.984 122.859 119.914 -0.064 0.000 2.320 711 V HA 0.201 4.321 4.120 -0.000 0.000 0.265 711 V C -0.559 175.578 176.094 0.072 0.000 1.048 711 V CA -0.434 61.876 62.300 0.015 0.000 0.865 711 V CB -0.346 31.538 31.823 0.102 0.000 1.043 711 V HN 0.295 nan 8.190 nan 0.000 0.474 712 H N 3.605 122.635 119.070 -0.067 0.000 2.928 712 H HA -0.015 4.540 4.556 -0.000 0.000 0.338 712 H C 0.816 175.968 175.328 -0.293 0.000 1.047 712 H CA -0.112 55.805 56.048 -0.219 0.000 1.435 712 H CB 0.711 30.258 29.762 -0.358 0.000 1.428 712 H HN 0.635 nan 8.280 nan 0.000 0.590 713 F N 2.475 122.177 119.950 -0.415 0.000 2.141 713 F HA -0.352 4.175 4.527 -0.000 0.000 0.300 713 F C 2.608 178.105 175.800 -0.505 0.000 1.079 713 F CA 2.029 59.580 58.000 -0.749 0.000 1.264 713 F CB -0.232 38.521 39.000 -0.413 0.000 1.011 713 F HN 0.687 nan 8.300 nan 0.000 0.487 714 Q N 0.117 119.754 119.800 -0.272 0.000 2.197 714 Q HA -0.329 4.011 4.340 -0.000 0.000 0.211 714 Q C 2.061 177.784 176.000 -0.460 0.000 0.993 714 Q CA 2.334 57.928 55.803 -0.349 0.000 0.883 714 Q CB -0.414 28.107 28.738 -0.362 0.000 0.916 714 Q HN 0.613 nan 8.270 nan 0.000 0.418 715 Q N -0.302 119.268 119.800 -0.382 0.000 2.061 715 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 715 Q C 2.266 178.151 176.000 -0.192 0.000 0.984 715 Q CA 1.783 57.478 55.803 -0.179 0.000 0.846 715 Q CB -0.109 28.619 28.738 -0.017 0.000 0.902 715 Q HN 0.352 nan 8.270 nan 0.000 0.421 716 S N 0.541 116.027 115.700 -0.357 0.000 2.414 716 S HA 0.001 4.470 4.470 -0.000 0.000 0.227 716 S C 2.015 176.352 174.600 -0.439 0.000 1.022 716 S CA 0.703 58.697 58.200 -0.343 0.000 0.958 716 S CB -0.059 62.936 63.200 -0.342 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.430 123.874 122.820 -0.627 0.000 1.902 717 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 717 A C 2.138 179.602 177.584 -0.199 0.000 1.181 717 A CA 1.127 52.928 52.037 -0.394 0.000 0.623 717 A CB -0.445 18.368 19.000 -0.312 0.000 0.818 717 A HN 0.350 nan 8.150 nan 0.000 0.443 718 Q N -1.050 118.639 119.800 -0.186 0.000 2.123 718 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 718 Q C 2.094 178.052 176.000 -0.069 0.000 0.966 718 Q CA 1.198 56.956 55.803 -0.075 0.000 0.845 718 Q CB -0.479 28.275 28.738 0.025 0.000 0.907 718 Q HN 0.592 nan 8.270 nan 0.000 0.439 719 L N 1.168 122.326 121.223 -0.109 0.000 2.027 719 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 719 L C 2.389 179.117 176.870 -0.237 0.000 1.074 719 L CA 2.354 57.098 54.840 -0.161 0.000 0.745 719 L CB -1.018 40.946 42.059 -0.158 0.000 0.898 719 L HN 0.222 nan 8.230 nan 0.000 0.433 720 S N -0.750 114.834 115.700 -0.193 0.000 2.370 720 S HA -0.311 4.159 4.470 -0.000 0.000 0.226 720 S C 2.157 176.745 174.600 -0.021 0.000 1.033 720 S CA 1.507 59.632 58.200 -0.125 0.000 1.011 720 S CB -0.725 62.538 63.200 0.106 0.000 0.852 720 S HN 0.560 nan 8.310 nan 0.000 0.457 721 K N 1.672 122.057 120.400 -0.025 0.000 2.103 721 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 721 K C 2.239 178.828 176.600 -0.018 0.000 1.048 721 K CA 1.204 57.492 56.287 0.002 0.000 0.930 721 K CB -0.675 31.820 32.500 -0.010 0.000 0.716 721 K HN 0.475 nan 8.250 nan 0.000 0.444 722 A N 0.918 123.696 122.820 -0.070 0.000 1.898 722 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 722 A C 2.080 179.601 177.584 -0.105 0.000 1.181 722 A CA 1.157 53.146 52.037 -0.080 0.000 0.620 722 A CB -0.535 18.403 19.000 -0.104 0.000 0.819 722 A HN 0.311 nan 8.150 nan 0.000 0.442 723 L N -0.583 120.514 121.223 -0.210 0.000 2.046 723 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 723 L C 2.521 179.427 176.870 0.060 0.000 1.077 723 L CA 0.962 55.663 54.840 -0.231 0.000 0.747 723 L CB -0.530 41.076 42.059 -0.756 0.000 0.896 723 L HN 0.241 nan 8.230 nan 0.000 0.432 724 V N -0.208 119.798 119.914 0.153 0.000 2.343 724 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 724 V C 2.031 178.181 176.094 0.094 0.000 1.051 724 V CA 1.895 64.308 62.300 0.188 0.000 1.036 724 V CB -0.491 31.428 31.823 0.160 0.000 0.654 724 V HN 0.438 nan 8.190 nan 0.000 0.451 725 D N 0.435 120.866 120.400 0.051 0.000 2.218 725 D HA -0.074 4.566 4.640 -0.000 0.000 0.204 725 D C 1.961 178.280 176.300 0.032 0.000 0.976 725 D CA 1.455 55.475 54.000 0.033 0.000 0.853 725 D CB -0.152 40.657 40.800 0.015 0.000 0.939 725 D HN 0.481 nan 8.370 nan 0.000 0.481 726 A N -0.206 122.632 122.820 0.031 0.000 2.251 726 A HA 0.395 4.715 4.320 -0.000 0.000 0.209 726 A C 1.704 179.324 177.584 0.060 0.000 1.187 726 A CA 0.881 52.939 52.037 0.035 0.000 0.823 726 A CB -0.248 18.762 19.000 0.018 0.000 0.846 726 A HN 0.208 nan 8.150 nan 0.000 0.486 727 G N -1.038 107.809 108.800 0.077 0.000 2.198 727 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.260 727 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.260 727 G C 0.044 175.014 174.900 0.117 0.000 1.025 727 G CA 0.310 45.462 45.100 0.086 0.000 0.769 727 G HN 0.763 nan 8.290 nan 0.000 0.507 728 V N 0.487 120.499 119.914 0.163 0.000 2.394 728 V HA 0.483 4.603 4.120 -0.000 0.000 0.282 728 V C 0.290 176.602 176.094 0.364 0.000 1.031 728 V CA -0.524 61.911 62.300 0.224 0.000 0.881 728 V CB 1.777 33.714 31.823 0.190 0.000 0.982 728 V HN 0.397 nan 8.190 nan 0.000 0.451 729 D N 4.152 124.725 120.400 0.289 0.000 2.255 729 D HA 0.628 5.268 4.640 -0.000 0.000 0.249 729 D C -0.627 175.911 176.300 0.396 0.000 1.078 729 D CA 0.128 54.264 54.000 0.226 0.000 0.896 729 D CB 0.836 41.698 40.800 0.103 0.000 1.194 729 D HN 0.316 nan 8.370 nan 0.000 0.429 730 F N -0.437 119.589 119.950 0.127 0.000 2.831 730 F HA 0.484 5.010 4.527 -0.000 0.000 0.318 730 F C -1.167 174.684 175.800 0.084 0.000 1.174 730 F CA -1.111 56.989 58.000 0.165 0.000 0.918 730 F CB 0.707 39.841 39.000 0.224 0.000 1.364 730 F HN 0.185 nan 8.300 nan 0.000 0.475 731 Q N 0.153 120.030 119.800 0.127 0.000 2.301 731 Q HA 0.709 5.049 4.340 -0.000 0.000 0.267 731 Q C -1.238 174.748 176.000 -0.023 0.000 1.035 731 Q CA -1.054 54.724 55.803 -0.041 0.000 0.856 731 Q CB 2.491 31.226 28.738 -0.006 0.000 1.337 731 Q HN 0.815 nan 8.270 nan 0.000 0.450 732 T N 0.981 115.491 114.554 -0.074 0.000 2.896 732 T HA 0.707 5.057 4.350 -0.000 0.000 0.297 732 T C -1.860 172.757 174.700 -0.139 0.000 1.108 732 T CA -0.572 61.500 62.100 -0.046 0.000 1.004 732 T CB 1.272 70.178 68.868 0.063 0.000 1.159 732 T HN 0.513 nan 8.240 nan 0.000 0.499 733 M N 4.024 123.523 119.600 -0.169 0.000 2.221 733 M HA 0.537 5.017 4.480 -0.000 0.000 0.259 733 M C -1.996 174.134 176.300 -0.282 0.000 1.001 733 M CA -0.608 54.451 55.300 -0.402 0.000 1.009 733 M CB 0.933 33.196 32.600 -0.562 0.000 1.939 733 M HN 0.701 nan 8.290 nan 0.000 0.477 734 W N 4.363 125.491 121.300 -0.287 0.000 2.375 734 W HA 0.743 5.403 4.660 -0.000 0.000 0.336 734 W C -1.939 174.302 176.519 -0.464 0.000 1.160 734 W CA -0.739 56.515 57.345 -0.152 0.000 1.266 734 W CB 0.271 29.682 29.460 -0.082 0.000 1.195 734 W HN 0.605 nan 8.180 nan 0.000 0.599 735 Y N 2.222 122.665 120.300 0.239 0.000 2.426 735 Y HA 0.279 4.829 4.550 -0.000 0.000 0.325 735 Y C 0.385 176.384 175.900 0.165 0.000 0.989 735 Y CA -1.315 56.840 58.100 0.091 0.000 1.284 735 Y CB 1.131 39.610 38.460 0.031 0.000 1.104 735 Y HN 0.441 nan 8.280 nan 0.000 0.481 736 T N 4.487 119.220 114.554 0.298 0.000 2.866 736 T HA -0.043 4.307 4.350 -0.000 0.000 0.293 736 T C 0.283 175.045 174.700 0.104 0.000 1.005 736 T CA 0.827 63.021 62.100 0.157 0.000 1.162 736 T CB -0.095 68.817 68.868 0.073 0.000 0.968 736 T HN 0.692 nan 8.240 nan 0.000 0.530 737 D N 0.741 121.176 120.400 0.058 0.000 3.059 737 D HA -0.128 4.512 4.640 -0.000 0.000 0.213 737 D C 0.328 176.741 176.300 0.188 0.000 1.144 737 D CA 1.201 55.190 54.000 -0.018 0.000 0.975 737 D CB -0.341 40.273 40.800 -0.311 0.000 1.125 737 D HN 0.588 nan 8.370 nan 0.000 0.412 738 E N 0.808 121.136 120.200 0.213 0.000 2.319 738 E HA 0.334 4.684 4.350 -0.000 0.000 0.268 738 E C 0.767 177.530 176.600 0.272 0.000 1.050 738 E CA -0.269 56.273 56.400 0.237 0.000 0.878 738 E CB 1.230 31.059 29.700 0.214 0.000 1.066 738 E HN 0.340 nan 8.360 nan 0.000 0.406 739 D N -0.511 120.057 120.400 0.281 0.000 2.509 739 D HA -0.004 4.636 4.640 -0.000 0.000 0.275 739 D C 1.109 177.611 176.300 0.336 0.000 1.189 739 D CA -0.175 54.013 54.000 0.313 0.000 1.098 739 D CB -0.265 40.742 40.800 0.346 0.000 1.177 739 D HN 0.406 nan 8.370 nan 0.000 0.599 740 H N -1.541 117.690 119.070 0.269 0.000 2.457 740 H HA 0.081 4.637 4.556 -0.000 0.000 0.297 740 H C 1.844 177.389 175.328 0.362 0.000 1.092 740 H CA 2.149 58.373 56.048 0.293 0.000 1.309 740 H CB -0.369 29.544 29.762 0.251 0.000 1.382 740 H HN 0.483 nan 8.280 nan 0.000 0.535 741 G N -0.524 108.385 108.800 0.182 0.000 2.939 741 G HA2 0.063 4.023 3.960 -0.000 0.000 0.210 741 G HA3 0.063 4.023 3.960 -0.000 0.000 0.210 741 G C 0.541 175.576 174.900 0.225 0.000 1.160 741 G CA 0.211 45.347 45.100 0.060 0.000 0.770 741 G HN 0.496 nan 8.290 nan 0.000 0.543 742 I N 0.117 120.847 120.570 0.266 0.000 5.115 742 I HA -0.333 3.836 4.170 -0.000 0.000 0.126 742 I C 1.556 177.769 176.117 0.159 0.000 1.316 742 I CA 0.199 61.613 61.300 0.189 0.000 2.641 742 I CB -1.225 36.873 38.000 0.163 0.000 2.272 742 I HN 0.264 nan 8.210 nan 0.000 0.321 743 A N 1.389 124.278 122.820 0.115 0.000 2.348 743 A HA 0.255 4.574 4.320 -0.000 0.000 0.224 743 A C 1.223 178.831 177.584 0.041 0.000 1.227 743 A CA 0.566 52.635 52.037 0.052 0.000 0.885 743 A CB 0.123 19.124 19.000 0.002 0.000 0.933 743 A HN 0.667 nan 8.150 nan 0.000 0.506 744 S N -0.163 115.578 115.700 0.069 0.000 2.573 744 S HA 0.033 4.503 4.470 -0.000 0.000 0.277 744 S C 0.741 175.380 174.600 0.065 0.000 1.346 744 S CA 0.359 58.596 58.200 0.062 0.000 1.034 744 S CB 0.039 63.282 63.200 0.072 0.000 0.879 744 S HN 0.519 nan 8.310 nan 0.000 0.528 745 N N 1.074 119.803 118.700 0.049 0.000 2.061 745 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 745 N C 1.653 177.213 175.510 0.084 0.000 1.030 745 N CA 1.628 54.714 53.050 0.060 0.000 0.856 745 N CB -0.275 38.230 38.487 0.030 0.000 1.023 745 N HN 0.503 nan 8.380 nan 0.000 0.424 746 M N 0.687 120.323 119.600 0.061 0.000 2.156 746 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 746 M C 2.341 178.680 176.300 0.063 0.000 1.067 746 M CA 0.870 56.207 55.300 0.061 0.000 1.131 746 M CB -1.361 31.267 32.600 0.047 0.000 1.368 746 M HN 0.155 nan 8.290 nan 0.000 0.416 747 A N -1.073 121.762 122.820 0.024 0.000 1.969 747 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 747 A C 2.062 179.584 177.584 -0.102 0.000 1.169 747 A CA 2.060 54.032 52.037 -0.109 0.000 0.635 747 A CB -1.055 17.841 19.000 -0.174 0.000 0.810 747 A HN 0.589 nan 8.150 nan 0.000 0.445 748 H N -0.137 118.902 119.070 -0.051 0.000 2.353 748 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 748 H C 2.066 177.448 175.328 0.090 0.000 1.090 748 H CA 2.253 58.324 56.048 0.039 0.000 1.327 748 H CB -0.179 29.606 29.762 0.039 0.000 1.383 748 H HN 0.573 nan 8.280 nan 0.000 0.508 749 Q N -1.048 118.730 119.800 -0.036 0.000 2.119 749 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 749 Q C 2.127 178.098 176.000 -0.049 0.000 0.972 749 Q CA 1.202 56.947 55.803 -0.097 0.000 0.847 749 Q CB -0.127 28.596 28.738 -0.024 0.000 0.903 749 Q HN 0.636 nan 8.270 nan 0.000 0.433 750 H N 0.788 119.812 119.070 -0.077 0.000 2.326 750 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 750 H C 2.069 177.378 175.328 -0.032 0.000 1.081 750 H CA 1.308 57.344 56.048 -0.021 0.000 1.334 750 H CB -0.013 29.777 29.762 0.048 0.000 1.385 750 H HN 0.265 nan 8.280 nan 0.000 0.504 751 I N 0.195 120.718 120.570 -0.079 0.000 2.179 751 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 751 I C 1.851 177.751 176.117 -0.363 0.000 1.088 751 I CA 1.329 62.510 61.300 -0.199 0.000 1.357 751 I CB -0.273 37.444 38.000 -0.472 0.000 1.051 751 I HN 0.147 nan 8.210 nan 0.000 0.409 752 Y N 0.941 121.046 120.300 -0.326 0.000 2.242 752 Y HA -0.209 4.341 4.550 -0.000 0.000 0.291 752 Y C 2.736 178.457 175.900 -0.299 0.000 1.137 752 Y CA 1.928 59.734 58.100 -0.489 0.000 1.181 752 Y CB -0.910 37.259 38.460 -0.484 0.000 0.989 752 Y HN 0.159 nan 8.280 nan 0.000 0.527 753 T N -1.743 112.746 114.554 -0.109 0.000 2.821 753 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 753 T C 1.546 176.138 174.700 -0.181 0.000 1.046 753 T CA 1.855 63.849 62.100 -0.178 0.000 1.139 753 T CB -0.413 68.339 68.868 -0.195 0.000 0.871 753 T HN 0.438 nan 8.240 nan 0.000 0.454 754 H N 0.666 119.610 119.070 -0.210 0.000 2.363 754 H HA 0.168 4.724 4.556 -0.000 0.000 0.301 754 H C 2.156 177.470 175.328 -0.023 0.000 1.074 754 H CA 1.335 57.327 56.048 -0.094 0.000 1.354 754 H CB -0.145 29.555 29.762 -0.103 0.000 1.397 754 H HN 0.240 nan 8.280 nan 0.000 0.516 755 M N -0.863 118.708 119.600 -0.048 0.000 2.175 755 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 755 M C 2.342 178.763 176.300 0.201 0.000 1.063 755 M CA 1.229 56.501 55.300 -0.046 0.000 1.119 755 M CB 0.086 32.422 32.600 -0.439 0.000 1.377 755 M HN 0.190 nan 8.290 nan 0.000 0.415 756 S N -0.557 115.284 115.700 0.235 0.000 2.368 756 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 756 S C 1.725 176.432 174.600 0.179 0.000 1.030 756 S CA 1.041 59.459 58.200 0.363 0.000 0.999 756 S CB -0.512 62.897 63.200 0.348 0.000 0.844 756 S HN 0.456 nan 8.310 nan 0.000 0.459 757 H N -0.191 118.937 119.070 0.096 0.000 2.357 757 H HA 0.023 4.578 4.556 -0.000 0.000 0.301 757 H C 1.932 177.262 175.328 0.004 0.000 1.082 757 H CA 1.084 57.141 56.048 0.015 0.000 1.342 757 H CB -0.707 29.009 29.762 -0.077 0.000 1.389 757 H HN 0.442 nan 8.280 nan 0.000 0.511 758 F N 1.049 120.987 119.950 -0.020 0.000 2.075 758 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 758 F C 2.512 178.274 175.800 -0.063 0.000 1.113 758 F CA 1.001 58.962 58.000 -0.065 0.000 1.218 758 F CB -0.639 38.310 39.000 -0.085 0.000 0.984 758 F HN 0.020 nan 8.300 nan 0.000 0.472 759 L N 0.389 121.624 121.223 0.019 0.000 2.012 759 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 759 L C 2.492 179.156 176.870 -0.343 0.000 1.073 759 L CA 1.810 56.488 54.840 -0.270 0.000 0.748 759 L CB -0.541 41.445 42.059 -0.122 0.000 0.891 759 L HN 0.177 nan 8.230 nan 0.000 0.431 760 K N -0.849 119.504 120.400 -0.078 0.000 2.097 760 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 760 K C 2.037 178.633 176.600 -0.007 0.000 1.049 760 K CA 0.998 57.300 56.287 0.025 0.000 0.933 760 K CB -0.122 32.442 32.500 0.107 0.000 0.717 760 K HN 0.375 nan 8.250 nan 0.000 0.442 761 Q N 0.561 120.313 119.800 -0.080 0.000 2.050 761 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 761 Q C 2.428 178.344 176.000 -0.140 0.000 0.980 761 Q CA 1.238 56.978 55.803 -0.104 0.000 0.840 761 Q CB -1.007 27.644 28.738 -0.146 0.000 0.898 761 Q HN 0.412 nan 8.270 nan 0.000 0.424 762 c N 0.135 118.555 118.600 -0.301 0.000 2.425 762 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 762 c C 2.135 176.269 174.090 0.073 0.000 1.280 762 c CA 0.319 56.499 56.329 -0.249 0.000 1.744 762 c CB -1.075 41.130 42.510 -0.507 0.000 1.989 762 c HN 0.340 nan 8.230 nan 0.000 0.491 763 F N 1.721 121.634 119.950 -0.062 0.000 2.797 763 F HA 0.235 4.762 4.527 -0.000 0.000 0.302 763 F C 1.707 177.493 175.800 -0.023 0.000 1.130 763 F CA 0.520 58.504 58.000 -0.025 0.000 1.387 763 F CB -1.281 37.713 39.000 -0.009 0.000 1.107 763 F HN 0.248 nan 8.300 nan 0.000 0.577 764 S N 0.794 116.582 115.700 0.146 0.000 3.641 764 S HA -0.197 4.273 4.470 -0.000 0.000 0.346 764 S C -0.001 174.643 174.600 0.073 0.000 1.074 764 S CA 0.135 58.380 58.200 0.075 0.000 1.026 764 S CB -2.056 61.175 63.200 0.051 0.000 0.908 764 S HN 0.233 nan 8.310 nan 0.000 0.479 765 L N 1.819 123.101 121.223 0.098 0.000 2.309 765 L HA 0.530 4.870 4.340 -0.000 0.000 0.282 765 L C -1.047 175.866 176.870 0.072 0.000 1.036 765 L CA -2.105 52.787 54.840 0.086 0.000 0.806 765 L CB 0.581 42.713 42.059 0.121 0.000 1.220 765 L HN 0.055 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.059 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726