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 2buc_1_B 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 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.233 58.200 0.055 0.000 1.107 39 S CB 0.000 63.229 63.200 0.049 0.000 0.593 40 R N 1.985 122.534 120.500 0.081 0.000 1.156 40 R HA -0.100 3.980 4.340 -0.433 0.000 0.422 40 R C -0.718 175.644 176.300 0.103 0.000 1.346 40 R CA 0.994 57.152 56.100 0.096 0.000 1.139 40 R CB -0.405 29.963 30.300 0.112 0.000 3.355 40 R HN 0.826 nan 8.270 nan 0.000 0.502 41 R N 0.959 121.524 120.500 0.109 0.000 2.531 41 R HA 0.458 4.538 4.340 -0.433 0.000 0.273 41 R C 0.156 176.534 176.300 0.129 0.000 1.070 41 R CA -0.209 55.961 56.100 0.117 0.000 1.112 41 R CB 0.769 31.144 30.300 0.124 0.000 1.049 41 R HN 0.592 nan 8.270 nan 0.000 0.508 42 T N -1.083 113.549 114.554 0.129 0.000 2.934 42 T HA 0.147 4.238 4.350 -0.433 0.000 0.283 42 T C -0.468 174.336 174.700 0.173 0.000 1.005 42 T CA -0.775 61.409 62.100 0.140 0.000 1.041 42 T CB 0.782 69.729 68.868 0.131 0.000 1.042 42 T HN 0.556 nan 8.240 nan 0.000 0.505 43 Y N 3.114 123.437 120.300 0.039 0.000 2.697 43 Y HA 0.281 4.571 4.550 -0.434 0.000 0.349 43 Y C 1.167 177.172 175.900 0.176 0.000 1.120 43 Y CA -0.082 58.038 58.100 0.035 0.000 1.468 43 Y CB -0.430 37.978 38.460 -0.087 0.000 1.182 43 Y HN 0.981 nan 8.280 nan 0.000 0.525 44 T N 2.305 116.834 114.554 -0.042 0.000 2.824 44 T HA 0.105 4.195 4.350 -0.433 0.000 0.277 44 T C 1.021 175.612 174.700 -0.181 0.000 0.975 44 T CA -0.758 61.367 62.100 0.042 0.000 0.966 44 T CB 1.142 70.007 68.868 -0.005 0.000 1.054 44 T HN 0.655 nan 8.240 nan 0.000 0.533 45 L N 0.995 121.893 121.223 -0.542 0.000 2.083 45 L HA 0.006 4.086 4.340 -0.433 0.000 0.209 45 L C 2.612 179.318 176.870 -0.274 0.000 1.083 45 L CA 2.114 56.492 54.840 -0.768 0.000 0.752 45 L CB -1.508 39.975 42.059 -0.959 0.000 0.899 45 L HN 0.963 nan 8.230 nan 0.000 0.433 46 T N -0.983 113.449 114.554 -0.203 0.000 2.788 46 T HA -0.161 3.930 4.350 -0.433 0.000 0.268 46 T C 1.549 176.182 174.700 -0.112 0.000 1.044 46 T CA 1.340 63.366 62.100 -0.124 0.000 1.139 46 T CB -0.406 68.413 68.868 -0.081 0.000 0.867 46 T HN 0.371 nan 8.240 nan 0.000 0.454 47 D N 0.149 120.445 120.400 -0.173 0.000 2.123 47 D HA -0.094 4.286 4.640 -0.433 0.000 0.196 47 D C 1.745 177.980 176.300 -0.108 0.000 0.992 47 D CA 1.105 54.978 54.000 -0.212 0.000 0.833 47 D CB -0.244 40.196 40.800 -0.600 0.000 0.954 47 D HN 0.457 nan 8.370 nan 0.000 0.455 48 Y N 1.311 121.490 120.300 -0.202 0.000 2.176 48 Y HA -0.032 4.257 4.550 -0.434 0.000 0.291 48 Y C 2.229 178.162 175.900 0.054 0.000 1.122 48 Y CA 1.042 59.188 58.100 0.078 0.000 1.128 48 Y CB -0.612 37.958 38.460 0.184 0.000 1.005 48 Y HN -0.135 nan 8.280 nan 0.000 0.509 49 L N 0.340 121.406 121.223 -0.262 0.000 2.083 49 L HA -0.209 3.871 4.340 -0.433 0.000 0.209 49 L C 2.052 178.835 176.870 -0.146 0.000 1.083 49 L CA 1.628 56.279 54.840 -0.316 0.000 0.752 49 L CB -0.452 41.487 42.059 -0.200 0.000 0.899 49 L HN 0.159 nan 8.230 nan 0.000 0.433 50 K N -0.800 119.547 120.400 -0.088 0.000 2.374 50 K HA 0.111 4.171 4.320 -0.433 0.000 0.196 50 K C 0.792 177.382 176.600 -0.016 0.000 1.023 50 K CA 0.101 56.363 56.287 -0.043 0.000 1.103 50 K CB 0.715 33.194 32.500 -0.036 0.000 0.848 50 K HN 0.054 nan 8.250 nan 0.000 0.528 51 S N 1.838 117.541 115.700 0.005 0.000 3.524 51 S HA -0.141 4.070 4.470 -0.433 0.000 0.377 51 S C 1.131 175.788 174.600 0.095 0.000 0.949 51 S CA 0.707 58.962 58.200 0.091 0.000 1.264 51 S CB -1.279 61.962 63.200 0.068 0.000 0.918 51 S HN 0.633 nan 8.310 nan 0.000 0.517 52 T N -1.605 113.002 114.554 0.087 0.000 2.904 52 T HA 0.072 4.162 4.350 -0.433 0.000 0.267 52 T C 0.594 175.242 174.700 -0.087 0.000 1.059 52 T CA 0.760 62.842 62.100 -0.030 0.000 1.137 52 T CB -0.260 68.545 68.868 -0.105 0.000 0.879 52 T HN 0.492 nan 8.240 nan 0.000 0.467 53 F N 2.499 122.523 119.950 0.124 0.000 2.406 53 F HA 0.509 4.776 4.527 -0.433 0.000 0.358 53 F C 0.720 176.627 175.800 0.178 0.000 1.161 53 F CA -1.302 56.808 58.000 0.183 0.000 1.185 53 F CB 0.343 39.535 39.000 0.320 0.000 1.421 53 F HN -0.152 nan 8.300 nan 0.000 0.576 54 R N 2.220 122.844 120.500 0.206 0.000 2.248 54 R HA 0.358 4.438 4.340 -0.433 0.000 0.328 54 R C -1.019 175.387 176.300 0.177 0.000 1.067 54 R CA -0.178 56.017 56.100 0.157 0.000 0.924 54 R CB 0.420 30.750 30.300 0.051 0.000 1.013 54 R HN 0.364 nan 8.270 nan 0.000 0.454 55 V N 6.223 126.276 119.914 0.232 0.000 2.455 55 V HA 0.164 4.025 4.120 -0.433 0.000 0.273 55 V C 0.571 176.752 176.094 0.144 0.000 1.045 55 V CA -0.177 62.274 62.300 0.253 0.000 0.976 55 V CB 0.920 32.969 31.823 0.376 0.000 0.993 55 V HN 0.673 nan 8.190 nan 0.000 0.475 56 K N 4.349 124.776 120.400 0.044 0.000 2.098 56 K HA 0.648 4.709 4.320 -0.433 0.000 0.257 56 K C -0.689 175.862 176.600 -0.082 0.000 0.999 56 K CA -0.177 55.987 56.287 -0.204 0.000 0.924 56 K CB 1.477 33.886 32.500 -0.151 0.000 1.028 56 K HN 0.584 nan 8.250 nan 0.000 0.466 57 F N -1.143 118.764 119.950 -0.072 0.000 2.790 57 F HA 0.456 4.723 4.527 -0.433 0.000 0.337 57 F C -1.042 174.453 175.800 -0.508 0.000 1.163 57 F CA -1.304 56.451 58.000 -0.409 0.000 0.997 57 F CB 0.710 39.636 39.000 -0.123 0.000 1.437 57 F HN 0.339 nan 8.300 nan 0.000 0.512 58 Y N 0.703 120.590 120.300 -0.687 0.000 2.563 58 Y HA 0.425 4.715 4.550 -0.433 0.000 0.351 58 Y C -0.817 175.057 175.900 -0.044 0.000 1.087 58 Y CA -0.713 57.206 58.100 -0.302 0.000 1.272 58 Y CB 0.953 39.099 38.460 -0.524 0.000 1.095 58 Y HN 0.709 nan 8.280 nan 0.000 0.620 59 T N 6.251 120.879 114.554 0.123 0.000 2.737 59 T HA 0.465 4.556 4.350 -0.433 0.000 0.296 59 T C -0.473 174.282 174.700 0.093 0.000 0.922 59 T CA -0.197 61.962 62.100 0.097 0.000 1.079 59 T CB -0.086 68.816 68.868 0.057 0.000 0.892 59 T HN 0.492 nan 8.240 nan 0.000 0.514 60 L N 1.663 122.905 121.223 0.032 0.000 2.323 60 L HA 0.725 4.805 4.340 -0.433 0.000 0.265 60 L C -0.598 176.231 176.870 -0.068 0.000 1.012 60 L CA -0.961 53.858 54.840 -0.037 0.000 0.820 60 L CB 1.638 43.448 42.059 -0.416 0.000 1.334 60 L HN 0.384 nan 8.230 nan 0.000 0.427 61 Q N 1.490 121.289 119.800 -0.002 0.000 2.363 61 Q HA 0.340 4.420 4.340 -0.433 0.000 0.265 61 Q C -1.780 174.274 176.000 0.090 0.000 1.032 61 Q CA -0.237 55.601 55.803 0.058 0.000 0.746 61 Q CB 1.350 30.152 28.738 0.107 0.000 1.237 61 Q HN 0.677 nan 8.270 nan 0.000 0.475 62 W N 4.053 125.464 121.300 0.185 0.000 2.308 62 W HA 0.098 4.499 4.660 -0.433 0.000 0.324 62 W C 1.131 177.732 176.519 0.137 0.000 1.387 62 W CA -0.192 57.264 57.345 0.185 0.000 1.250 62 W CB 0.371 29.935 29.460 0.173 0.000 1.257 62 W HN 0.671 nan 8.180 nan 0.000 0.554 63 I N 0.476 121.262 120.570 0.360 0.000 4.240 63 I HA 0.331 4.242 4.170 -0.433 0.000 0.331 63 I C 0.613 176.824 176.117 0.156 0.000 1.381 63 I CA -0.173 61.240 61.300 0.188 0.000 1.136 63 I CB -0.024 38.011 38.000 0.057 0.000 1.137 63 I HN 0.203 nan 8.210 nan 0.000 0.411 64 S N 0.246 116.074 115.700 0.213 0.000 2.843 64 S HA 0.231 4.442 4.470 -0.433 0.000 0.301 64 S C 0.145 174.861 174.600 0.194 0.000 1.206 64 S CA 0.012 58.298 58.200 0.143 0.000 0.875 64 S CB 0.680 63.880 63.200 0.000 0.000 1.248 64 S HN 0.327 nan 8.310 nan 0.000 0.555 65 D N 0.142 120.670 120.400 0.213 0.000 2.317 65 D HA -0.110 4.271 4.640 -0.433 0.000 0.211 65 D C 1.051 177.591 176.300 0.399 0.000 0.966 65 D CA 1.366 55.518 54.000 0.253 0.000 0.876 65 D CB -0.435 40.528 40.800 0.271 0.000 0.927 65 D HN 0.847 nan 8.370 nan 0.000 0.519 66 H N -1.411 117.827 119.070 0.282 0.000 3.540 66 H HA 0.415 4.711 4.556 -0.433 0.000 0.259 66 H C -0.360 175.134 175.328 0.276 0.000 1.197 66 H CA -0.418 55.776 56.048 0.244 0.000 1.136 66 H CB 0.207 30.082 29.762 0.189 0.000 1.605 66 H HN 0.002 nan 8.280 nan 0.000 0.657 67 E N 1.064 121.289 120.200 0.041 0.000 2.227 67 E HA 0.468 4.558 4.350 -0.433 0.000 0.268 67 E C -1.478 175.288 176.600 0.276 0.000 0.907 67 E CA -1.168 55.252 56.400 0.033 0.000 0.786 67 E CB 2.581 32.171 29.700 -0.183 0.000 1.191 67 E HN 0.333 nan 8.360 nan 0.000 0.411 68 Y N -0.354 119.951 120.300 0.007 0.000 2.571 68 Y HA 0.600 4.890 4.550 -0.433 0.000 0.341 68 Y C -1.801 174.090 175.900 -0.014 0.000 1.076 68 Y CA -1.337 56.687 58.100 -0.127 0.000 1.029 68 Y CB 0.756 38.819 38.460 -0.661 0.000 1.308 68 Y HN 0.309 nan 8.280 nan 0.000 0.461 69 L N 3.401 124.722 121.223 0.164 0.000 2.334 69 L HA 0.537 4.617 4.340 -0.433 0.000 0.275 69 L C -1.260 175.846 176.870 0.393 0.000 1.036 69 L CA -1.016 53.926 54.840 0.171 0.000 0.807 69 L CB 1.535 43.630 42.059 0.059 0.000 1.231 69 L HN 0.777 nan 8.230 nan 0.000 0.438 70 Y N 2.132 122.581 120.300 0.248 0.000 2.433 70 Y HA 0.298 4.589 4.550 -0.433 0.000 0.337 70 Y C -0.651 175.346 175.900 0.162 0.000 1.026 70 Y CA -1.179 57.027 58.100 0.176 0.000 1.037 70 Y CB 1.558 40.107 38.460 0.150 0.000 1.245 70 Y HN 0.430 nan 8.280 nan 0.000 0.443 71 K N 5.354 125.468 120.400 -0.477 0.000 2.310 71 K HA 0.199 4.259 4.320 -0.433 0.000 0.290 71 K C -0.937 175.241 176.600 -0.703 0.000 1.077 71 K CA -0.142 55.921 56.287 -0.373 0.000 0.922 71 K CB 0.473 32.900 32.500 -0.122 0.000 1.057 71 K HN 0.822 nan 8.250 nan 0.000 0.479 72 Q N 3.659 123.261 119.800 -0.330 0.000 2.394 72 Q HA 0.085 4.165 4.340 -0.433 0.000 0.261 72 Q C -1.197 174.754 176.000 -0.082 0.000 1.023 72 Q CA -0.220 55.480 55.803 -0.172 0.000 0.720 72 Q CB 0.971 29.778 28.738 0.114 0.000 1.241 72 Q HN 0.641 nan 8.270 nan 0.000 0.483 73 E N 2.849 122.987 120.200 -0.103 0.000 2.297 73 E HA -0.353 3.737 4.350 -0.433 0.000 0.228 73 E C -0.418 176.122 176.600 -0.101 0.000 1.213 73 E CA 0.803 57.151 56.400 -0.085 0.000 0.712 73 E CB -1.213 28.460 29.700 -0.045 0.000 1.202 73 E HN 0.903 nan 8.360 nan 0.000 0.376 74 N N -1.467 117.142 118.700 -0.152 0.000 2.828 74 N HA -0.208 4.273 4.740 -0.433 0.000 0.248 74 N C -0.834 174.632 175.510 -0.073 0.000 1.044 74 N CA 1.263 54.181 53.050 -0.221 0.000 0.851 74 N CB -0.885 37.423 38.487 -0.298 0.000 1.136 74 N HN 0.394 nan 8.380 nan 0.000 0.572 75 N N 0.729 119.415 118.700 -0.024 0.000 2.456 75 N HA 0.481 4.961 4.740 -0.433 0.000 0.288 75 N C -0.176 175.352 175.510 0.031 0.000 1.059 75 N CA -0.237 52.837 53.050 0.040 0.000 0.946 75 N CB 1.230 39.731 38.487 0.024 0.000 1.150 75 N HN 0.125 nan 8.380 nan 0.000 0.479 76 I N 2.665 123.271 120.570 0.060 0.000 2.301 76 I HA 0.190 4.100 4.170 -0.433 0.000 0.292 76 I C -0.532 175.649 176.117 0.106 0.000 1.046 76 I CA -0.335 60.997 61.300 0.053 0.000 1.282 76 I CB 0.217 38.218 38.000 0.000 0.000 1.409 76 I HN 0.255 nan 8.210 nan 0.000 0.484 77 L N 6.945 128.234 121.223 0.110 0.000 2.307 77 L HA 0.456 4.536 4.340 -0.433 0.000 0.284 77 L C -0.450 176.410 176.870 -0.017 0.000 1.023 77 L CA -0.898 53.950 54.840 0.014 0.000 0.810 77 L CB 1.667 43.684 42.059 -0.069 0.000 1.231 77 L HN 0.436 nan 8.230 nan 0.000 0.423 78 L N 3.593 124.751 121.223 -0.108 0.000 2.282 78 L HA 0.436 4.516 4.340 -0.433 0.000 0.287 78 L C -0.766 175.925 176.870 -0.299 0.000 1.075 78 L CA 0.403 55.157 54.840 -0.143 0.000 0.839 78 L CB -0.112 41.929 42.059 -0.029 0.000 1.219 78 L HN 0.212 nan 8.230 nan 0.000 0.434 79 F N 3.778 123.470 119.950 -0.431 0.000 2.375 79 F HA 0.360 4.628 4.527 -0.433 0.000 0.333 79 F C 0.875 176.406 175.800 -0.449 0.000 1.104 79 F CA -0.146 57.523 58.000 -0.552 0.000 1.149 79 F CB 0.929 39.263 39.000 -1.110 0.000 1.190 79 F HN 0.530 nan 8.300 nan 0.000 0.533 80 N N 1.678 120.356 118.700 -0.037 0.000 2.446 80 N HA 0.336 4.816 4.740 -0.433 0.000 0.265 80 N C 0.182 175.717 175.510 0.040 0.000 0.975 80 N CA -0.061 53.010 53.050 0.036 0.000 0.928 80 N CB 1.825 40.389 38.487 0.128 0.000 1.160 80 N HN 0.762 nan 8.380 nan 0.000 0.495 81 A N 3.624 126.424 122.820 -0.033 0.000 1.930 81 A HA -0.122 3.938 4.320 -0.433 0.000 0.217 81 A C 1.814 179.184 177.584 -0.357 0.000 1.175 81 A CA 1.224 53.123 52.037 -0.230 0.000 0.627 81 A CB -0.428 18.227 19.000 -0.576 0.000 0.815 81 A HN 0.871 nan 8.150 nan 0.000 0.443 82 E N -1.936 118.060 120.200 -0.339 0.000 2.130 82 E HA -0.238 3.852 4.350 -0.433 0.000 0.196 82 E C 1.252 177.549 176.600 -0.505 0.000 0.998 82 E CA 2.066 58.251 56.400 -0.358 0.000 0.806 82 E CB -0.115 29.334 29.700 -0.418 0.000 0.738 82 E HN 0.815 nan 8.360 nan 0.000 0.459 83 Y N -3.402 116.915 120.300 0.029 0.000 2.817 83 Y HA 0.370 4.661 4.550 -0.433 0.000 0.257 83 Y C 1.629 177.546 175.900 0.028 0.000 1.055 83 Y CA 0.293 58.411 58.100 0.030 0.000 1.319 83 Y CB 0.902 39.380 38.460 0.029 0.000 1.481 83 Y HN 0.088 nan 8.280 nan 0.000 0.471 84 G N -0.088 108.837 108.800 0.210 0.000 2.613 84 G HA2 -0.188 3.513 3.960 -0.433 0.000 0.199 84 G HA3 -0.188 3.513 3.960 -0.433 0.000 0.199 84 G C -0.556 174.446 174.900 0.170 0.000 0.991 84 G CA -0.297 44.907 45.100 0.172 0.000 0.756 84 G HN 0.339 nan 8.290 nan 0.000 0.515 85 N N 1.536 120.305 118.700 0.116 0.000 2.518 85 N HA 0.477 4.957 4.740 -0.433 0.000 0.266 85 N C -0.003 175.447 175.510 -0.100 0.000 1.196 85 N CA 0.772 53.831 53.050 0.014 0.000 0.947 85 N CB 1.438 39.924 38.487 -0.001 0.000 1.098 85 N HN 0.759 nan 8.380 nan 0.000 0.450 86 S N -0.161 115.390 115.700 -0.249 0.000 2.536 86 S HA 0.717 4.927 4.470 -0.433 0.000 0.298 86 S C -0.477 173.942 174.600 -0.303 0.000 1.083 86 S CA -0.865 57.035 58.200 -0.501 0.000 0.995 86 S CB 1.194 63.671 63.200 -1.204 0.000 1.058 86 S HN 0.835 nan 8.310 nan 0.000 0.488 87 S N 1.307 116.856 115.700 -0.251 0.000 2.566 87 S HA 0.700 4.910 4.470 -0.433 0.000 0.298 87 S C -0.583 173.959 174.600 -0.096 0.000 1.083 87 S CA -0.982 57.138 58.200 -0.133 0.000 0.978 87 S CB 0.406 63.566 63.200 -0.067 0.000 1.073 87 S HN 0.674 nan 8.310 nan 0.000 0.491 88 I N 2.750 123.285 120.570 -0.058 0.000 2.421 88 I HA 0.194 4.105 4.170 -0.433 0.000 0.291 88 I C 0.627 176.759 176.117 0.026 0.000 1.089 88 I CA -0.141 61.147 61.300 -0.020 0.000 1.354 88 I CB -0.065 37.913 38.000 -0.037 0.000 1.413 88 I HN 0.788 nan 8.210 nan 0.000 0.513 89 F N 6.761 126.665 119.950 -0.076 0.000 2.219 89 F HA 0.281 4.549 4.527 -0.433 0.000 0.294 89 F C 0.568 176.329 175.800 -0.064 0.000 1.086 89 F CA 0.561 58.523 58.000 -0.063 0.000 1.330 89 F CB 0.480 39.452 39.000 -0.048 0.000 1.047 89 F HN 0.283 nan 8.300 nan 0.000 0.495 90 L N 1.191 122.456 121.223 0.071 0.000 2.516 90 L HA 0.247 4.328 4.340 -0.433 0.000 0.267 90 L C -0.699 176.156 176.870 -0.025 0.000 0.957 90 L CA -0.598 54.211 54.840 -0.051 0.000 0.860 90 L CB 1.255 43.276 42.059 -0.064 0.000 1.265 90 L HN 0.120 nan 8.230 nan 0.000 0.403 91 E N 1.910 122.073 120.200 -0.062 0.000 2.392 91 E HA 0.067 4.157 4.350 -0.433 0.000 0.259 91 E C 0.070 176.674 176.600 0.007 0.000 1.108 91 E CA 0.023 56.407 56.400 -0.028 0.000 0.916 91 E CB 0.725 30.398 29.700 -0.045 0.000 0.989 91 E HN 0.746 nan 8.360 nan 0.000 0.432 92 N N 0.659 119.389 118.700 0.050 0.000 2.309 92 N HA -0.229 4.251 4.740 -0.433 0.000 0.182 92 N C 1.501 177.051 175.510 0.067 0.000 1.018 92 N CA 1.525 54.646 53.050 0.118 0.000 0.876 92 N CB -0.196 38.315 38.487 0.039 0.000 0.972 92 N HN 0.481 nan 8.380 nan 0.000 0.434 93 S N -1.399 114.293 115.700 -0.013 0.000 2.447 93 S HA -0.105 4.105 4.470 -0.433 0.000 0.233 93 S C 1.655 176.192 174.600 -0.105 0.000 1.006 93 S CA 1.174 59.344 58.200 -0.050 0.000 0.957 93 S CB -1.069 62.101 63.200 -0.051 0.000 0.773 93 S HN 0.386 nan 8.310 nan 0.000 0.507 94 T N 1.427 115.875 114.554 -0.176 0.000 2.867 94 T HA 0.106 4.196 4.350 -0.433 0.000 0.268 94 T C 1.180 175.593 174.700 -0.478 0.000 1.057 94 T CA 1.094 62.986 62.100 -0.346 0.000 1.136 94 T CB -0.512 68.057 68.868 -0.499 0.000 0.874 94 T HN 0.485 nan 8.240 nan 0.000 0.466 95 F N 1.775 121.523 119.950 -0.337 0.000 2.206 95 F HA -0.010 4.258 4.527 -0.433 0.000 0.298 95 F C 2.154 177.741 175.800 -0.355 0.000 1.090 95 F CA 0.671 58.418 58.000 -0.420 0.000 1.323 95 F CB -0.295 38.506 39.000 -0.330 0.000 1.028 95 F HN 0.067 nan 8.300 nan 0.000 0.492 96 D N 0.025 120.381 120.400 -0.073 0.000 2.219 96 D HA -0.163 4.218 4.640 -0.433 0.000 0.205 96 D C 1.711 177.918 176.300 -0.156 0.000 0.970 96 D CA 1.232 55.169 54.000 -0.104 0.000 0.851 96 D CB -0.452 40.306 40.800 -0.071 0.000 0.943 96 D HN 0.527 nan 8.370 nan 0.000 0.488 97 E N 0.175 120.266 120.200 -0.182 0.000 2.465 97 E HA 0.062 4.152 4.350 -0.433 0.000 0.191 97 E C 1.497 177.948 176.600 -0.247 0.000 1.053 97 E CA -0.026 56.270 56.400 -0.173 0.000 0.869 97 E CB -0.106 29.523 29.700 -0.118 0.000 0.977 97 E HN 0.264 nan 8.360 nan 0.000 0.483 98 L N 0.217 121.198 121.223 -0.403 0.000 2.209 98 L HA 0.176 4.256 4.340 -0.433 0.000 0.207 98 L C 1.867 178.287 176.870 -0.751 0.000 1.094 98 L CA 0.921 55.354 54.840 -0.677 0.000 0.790 98 L CB -0.123 41.277 42.059 -1.099 0.000 0.932 98 L HN 0.512 nan 8.230 nan 0.000 0.447 99 G N -0.741 107.750 108.800 -0.515 0.000 2.358 99 G HA2 -0.314 3.386 3.960 -0.433 0.000 0.224 99 G HA3 -0.314 3.386 3.960 -0.433 0.000 0.224 99 G C 0.183 174.940 174.900 -0.238 0.000 1.073 99 G CA 0.221 45.135 45.100 -0.309 0.000 0.635 99 G HN 0.329 nan 8.290 nan 0.000 0.509 100 Y N 1.667 121.853 120.300 -0.190 0.000 2.453 100 Y HA 0.774 5.065 4.550 -0.432 0.000 0.326 100 Y C 0.486 176.312 175.900 -0.123 0.000 1.186 100 Y CA -1.490 56.510 58.100 -0.167 0.000 1.200 100 Y CB 0.858 39.121 38.460 -0.329 0.000 1.247 100 Y HN 0.486 nan 8.280 nan 0.000 0.482 101 S N 0.325 116.133 115.700 0.180 0.000 2.474 101 S HA 0.324 4.534 4.470 -0.433 0.000 0.276 101 S C -0.326 174.389 174.600 0.192 0.000 1.227 101 S CA -0.757 57.506 58.200 0.105 0.000 1.050 101 S CB 0.056 63.286 63.200 0.049 0.000 0.939 101 S HN 0.668 nan 8.310 nan 0.000 0.490 102 T N 4.111 118.748 114.554 0.139 0.000 2.749 102 T HA 0.221 4.312 4.350 -0.433 0.000 0.295 102 T C 1.448 176.180 174.700 0.054 0.000 0.936 102 T CA -0.750 61.460 62.100 0.183 0.000 1.060 102 T CB 0.391 69.405 68.868 0.243 0.000 0.904 102 T HN 0.851 nan 8.240 nan 0.000 0.500 103 N N 2.336 121.079 118.700 0.071 0.000 2.356 103 N HA 0.015 4.495 4.740 -0.433 0.000 0.178 103 N C -0.317 175.190 175.510 -0.005 0.000 1.075 103 N CA 0.091 53.123 53.050 -0.030 0.000 0.889 103 N CB 0.739 39.148 38.487 -0.130 0.000 0.999 103 N HN 0.480 nan 8.380 nan 0.000 0.464 104 D N -0.618 119.857 120.400 0.124 0.000 2.654 104 D HA 0.251 4.631 4.640 -0.433 0.000 0.231 104 D C -1.607 174.931 176.300 0.396 0.000 1.239 104 D CA -0.411 53.680 54.000 0.151 0.000 0.790 104 D CB 2.062 42.910 40.800 0.079 0.000 1.480 104 D HN 0.135 nan 8.370 nan 0.000 0.442 105 Y N -1.080 119.422 120.300 0.336 0.000 2.581 105 Y HA 0.741 5.032 4.550 -0.432 0.000 0.345 105 Y C -1.059 175.042 175.900 0.335 0.000 1.036 105 Y CA -0.993 57.368 58.100 0.434 0.000 1.042 105 Y CB 1.869 40.670 38.460 0.569 0.000 1.289 105 Y HN 0.114 nan 8.280 nan 0.000 0.471 106 S N 1.872 117.884 115.700 0.520 0.000 2.750 106 S HA 0.581 4.791 4.470 -0.433 0.000 0.276 106 S C -1.744 173.191 174.600 0.557 0.000 1.165 106 S CA -0.605 57.875 58.200 0.467 0.000 1.047 106 S CB 0.589 64.050 63.200 0.436 0.000 1.056 106 S HN 0.696 nan 8.310 nan 0.000 0.481 107 V N 4.962 125.068 119.914 0.319 0.000 2.546 107 V HA 0.436 4.296 4.120 -0.433 0.000 0.284 107 V C 0.796 176.666 176.094 -0.373 0.000 1.050 107 V CA -0.675 61.664 62.300 0.066 0.000 0.981 107 V CB 1.361 33.219 31.823 0.058 0.000 0.990 107 V HN 0.990 nan 8.190 nan 0.000 0.474 108 S N 6.241 121.371 115.700 -0.950 0.000 2.560 108 S HA 0.133 4.343 4.470 -0.433 0.000 0.284 108 S C -1.244 173.087 174.600 -0.448 0.000 1.327 108 S CA -0.711 56.736 58.200 -1.255 0.000 1.055 108 S CB 0.595 62.975 63.200 -1.366 0.000 0.868 108 S HN 0.676 nan 8.310 nan 0.000 0.506 109 P HA -0.175 nan 4.420 nan 0.000 0.217 109 P C 0.802 178.057 177.300 -0.075 0.000 1.148 109 P CA 1.609 64.643 63.100 -0.110 0.000 0.828 109 P CB -0.231 31.432 31.700 -0.062 0.000 0.783 110 D N -0.729 119.619 120.400 -0.085 0.000 2.363 110 D HA -0.115 4.265 4.640 -0.433 0.000 0.220 110 D C 0.708 176.997 176.300 -0.018 0.000 0.994 110 D CA 0.122 54.106 54.000 -0.027 0.000 0.890 110 D CB -0.725 40.087 40.800 0.019 0.000 0.906 110 D HN 0.048 nan 8.370 nan 0.000 0.530 111 R N -1.302 119.176 120.500 -0.035 0.000 3.953 111 R HA -0.235 3.845 4.340 -0.433 0.000 0.340 111 R C 1.126 177.413 176.300 -0.023 0.000 1.195 111 R CA 1.225 57.370 56.100 0.076 0.000 0.929 111 R CB -2.554 27.864 30.300 0.196 0.000 1.402 111 R HN 0.324 nan 8.270 nan 0.000 0.540 112 Q N -0.927 118.770 119.800 -0.172 0.000 2.250 112 Q HA 0.153 4.234 4.340 -0.433 0.000 0.200 112 Q C -0.235 175.274 176.000 -0.818 0.000 0.941 112 Q CA 0.852 56.355 55.803 -0.500 0.000 0.872 112 Q CB 0.393 28.793 28.738 -0.562 0.000 0.965 112 Q HN 0.205 nan 8.270 nan 0.000 0.480 113 F N -0.777 119.075 119.950 -0.163 0.000 2.588 113 F HA 0.511 4.779 4.527 -0.433 0.000 0.314 113 F C -0.561 175.194 175.800 -0.074 0.000 1.069 113 F CA -1.131 56.803 58.000 -0.109 0.000 0.931 113 F CB 1.636 40.610 39.000 -0.043 0.000 1.260 113 F HN -0.203 nan 8.300 nan 0.000 0.465 114 I N 2.243 122.971 120.570 0.263 0.000 2.689 114 I HA 0.576 4.487 4.170 -0.433 0.000 0.299 114 I C -1.864 174.373 176.117 0.201 0.000 1.059 114 I CA -1.097 60.323 61.300 0.199 0.000 1.055 114 I CB 1.943 39.945 38.000 0.004 0.000 1.243 114 I HN 0.557 nan 8.210 nan 0.000 0.425 115 L N 7.389 128.829 121.223 0.363 0.000 2.287 115 L HA 0.511 4.591 4.340 -0.433 0.000 0.287 115 L C -1.418 175.623 176.870 0.286 0.000 1.022 115 L CA 0.133 55.147 54.840 0.289 0.000 0.814 115 L CB 0.966 43.195 42.059 0.283 0.000 1.217 115 L HN 0.395 nan 8.230 nan 0.000 0.420 116 F N 3.700 123.910 119.950 0.433 0.000 2.410 116 F HA 0.355 4.622 4.527 -0.433 0.000 0.349 116 F C 0.492 176.505 175.800 0.354 0.000 1.117 116 F CA -0.637 57.618 58.000 0.426 0.000 1.104 116 F CB 1.297 40.545 39.000 0.415 0.000 1.122 116 F HN 0.455 nan 8.300 nan 0.000 0.483 117 E N 5.257 125.744 120.200 0.479 0.000 2.134 117 E HA 0.297 4.387 4.350 -0.433 0.000 0.278 117 E C -1.535 175.116 176.600 0.084 0.000 0.959 117 E CA -0.531 55.892 56.400 0.038 0.000 0.783 117 E CB 1.040 30.807 29.700 0.112 0.000 1.095 117 E HN 0.588 nan 8.360 nan 0.000 0.399 118 Y N 1.673 121.777 120.300 -0.326 0.000 2.728 118 Y HA 0.436 4.727 4.550 -0.432 0.000 0.330 118 Y C -0.300 175.452 175.900 -0.248 0.000 1.234 118 Y CA -1.631 56.308 58.100 -0.268 0.000 1.070 118 Y CB 0.479 38.642 38.460 -0.494 0.000 1.300 118 Y HN 0.618 nan 8.280 nan 0.000 0.467 119 N N -0.278 118.335 118.700 -0.146 0.000 2.740 119 N HA -0.295 4.185 4.740 -0.433 0.000 0.248 119 N C -1.438 174.005 175.510 -0.111 0.000 1.062 119 N CA 0.857 53.805 53.050 -0.170 0.000 0.704 119 N CB -1.415 36.839 38.487 -0.388 0.000 0.968 119 N HN 0.780 nan 8.380 nan 0.000 0.547 120 Y N -0.039 120.173 120.300 -0.147 0.000 2.569 120 Y HA 0.341 4.631 4.550 -0.433 0.000 0.332 120 Y C -0.121 175.736 175.900 -0.072 0.000 1.120 120 Y CA -0.065 57.959 58.100 -0.126 0.000 1.416 120 Y CB 0.562 38.911 38.460 -0.186 0.000 1.210 120 Y HN -0.026 nan 8.280 nan 0.000 0.528 121 V N 8.060 127.718 119.914 -0.427 0.000 2.409 121 V HA 0.210 4.070 4.120 -0.433 0.000 0.290 121 V C -0.227 175.556 176.094 -0.518 0.000 1.017 121 V CA -1.398 60.698 62.300 -0.340 0.000 0.841 121 V CB 1.307 33.018 31.823 -0.187 0.000 1.003 121 V HN 0.685 nan 8.190 nan 0.000 0.426 122 K N 3.424 123.559 120.400 -0.441 0.000 2.401 122 K HA 0.191 4.252 4.320 -0.433 0.000 0.278 122 K C 0.502 176.936 176.600 -0.277 0.000 1.018 122 K CA 0.178 56.282 56.287 -0.305 0.000 0.981 122 K CB 1.092 33.584 32.500 -0.013 0.000 0.933 122 K HN 0.818 nan 8.250 nan 0.000 0.477 123 Q N 3.088 122.678 119.800 -0.351 0.000 2.263 123 Q HA 0.130 4.211 4.340 -0.433 0.000 0.258 123 Q C 0.057 175.797 176.000 -0.433 0.000 0.993 123 Q CA -0.074 55.316 55.803 -0.689 0.000 0.820 123 Q CB 0.071 28.201 28.738 -1.014 0.000 1.737 123 Q HN 0.701 nan 8.270 nan 0.000 0.522 124 W N -0.190 121.093 121.300 -0.030 0.000 1.941 124 W HA 0.393 4.791 4.660 -0.437 0.000 0.629 124 W C 1.840 178.328 176.519 -0.052 0.000 1.517 124 W CA -0.841 56.510 57.345 0.011 0.000 1.502 124 W CB -0.174 29.254 29.460 -0.053 0.000 3.266 124 W HN 0.193 nan 8.180 nan 0.000 0.765 125 R N -0.577 119.989 120.500 0.110 0.000 2.081 125 R HA -0.134 3.946 4.340 -0.433 0.000 0.235 125 R C 1.698 177.798 176.300 -0.334 0.000 1.131 125 R CA 1.723 57.702 56.100 -0.202 0.000 0.960 125 R CB -0.342 29.680 30.300 -0.463 0.000 0.856 125 R HN 0.504 nan 8.270 nan 0.000 0.436 126 H N -1.609 117.530 119.070 0.115 0.000 2.927 126 H HA 0.152 4.449 4.556 -0.431 0.000 0.255 126 H C 0.517 175.950 175.328 0.176 0.000 0.974 126 H CA 0.384 56.532 56.048 0.167 0.000 1.199 126 H CB 0.286 30.130 29.762 0.137 0.000 1.447 126 H HN 0.107 nan 8.280 nan 0.000 0.467 127 S N 1.574 117.281 115.700 0.011 0.000 2.576 127 S HA 0.361 4.571 4.470 -0.433 0.000 0.276 127 S C -0.291 174.156 174.600 -0.257 0.000 1.339 127 S CA -0.501 57.402 58.200 -0.495 0.000 1.039 127 S CB 0.472 62.913 63.200 -1.266 0.000 0.902 127 S HN 0.431 nan 8.310 nan 0.000 0.516 128 Y N -1.862 118.258 120.300 -0.300 0.000 2.677 128 Y HA 0.714 5.003 4.550 -0.434 0.000 0.334 128 Y C -0.703 175.115 175.900 -0.137 0.000 1.196 128 Y CA -1.028 56.877 58.100 -0.326 0.000 1.059 128 Y CB 0.659 38.819 38.460 -0.501 0.000 1.315 128 Y HN 0.810 nan 8.280 nan 0.000 0.455 129 T N -0.039 114.497 114.554 -0.030 0.000 2.888 129 T HA 0.986 5.077 4.350 -0.433 0.000 0.284 129 T C -0.489 174.246 174.700 0.057 0.000 1.017 129 T CA -0.083 62.033 62.100 0.027 0.000 1.022 129 T CB 1.647 70.496 68.868 -0.033 0.000 1.013 129 T HN 1.662 nan 8.240 nan 0.000 0.465 130 A N 1.414 124.272 122.820 0.064 0.000 2.602 130 A HA 0.806 4.866 4.320 -0.433 0.000 0.290 130 A C -0.437 176.949 177.584 -0.329 0.000 1.114 130 A CA -0.987 50.953 52.037 -0.161 0.000 0.683 130 A CB 1.330 20.209 19.000 -0.201 0.000 1.281 130 A HN 0.833 nan 8.150 nan 0.000 0.416 131 S N -0.564 114.710 115.700 -0.711 0.000 2.608 131 S HA 0.750 4.960 4.470 -0.433 0.000 0.291 131 S C -1.514 172.516 174.600 -0.949 0.000 1.146 131 S CA -0.012 57.704 58.200 -0.806 0.000 1.043 131 S CB 0.559 63.031 63.200 -1.213 0.000 1.037 131 S HN 0.432 nan 8.310 nan 0.000 0.520 132 Y N 0.372 120.513 120.300 -0.264 0.000 2.421 132 Y HA 0.399 4.689 4.550 -0.433 0.000 0.339 132 Y C -0.287 175.669 175.900 0.094 0.000 0.996 132 Y CA -0.869 57.205 58.100 -0.043 0.000 1.046 132 Y CB 1.676 40.053 38.460 -0.138 0.000 1.226 132 Y HN 0.508 nan 8.280 nan 0.000 0.445 133 D N 3.376 124.022 120.400 0.410 0.000 2.350 133 D HA 0.512 4.893 4.640 -0.433 0.000 0.245 133 D C -0.756 175.724 176.300 0.300 0.000 1.036 133 D CA -0.338 53.882 54.000 0.367 0.000 0.848 133 D CB 2.520 43.627 40.800 0.510 0.000 1.307 133 D HN 0.416 nan 8.370 nan 0.000 0.469 134 I N 1.983 122.673 120.570 0.200 0.000 2.359 134 I HA 0.213 4.124 4.170 -0.433 0.000 0.294 134 I C -0.665 175.586 176.117 0.224 0.000 0.987 134 I CA -0.852 60.553 61.300 0.174 0.000 1.225 134 I CB 1.047 39.099 38.000 0.087 0.000 1.366 134 I HN 0.222 nan 8.210 nan 0.000 0.466 135 Y N 5.488 125.810 120.300 0.036 0.000 2.328 135 Y HA 0.287 4.577 4.550 -0.433 0.000 0.337 135 Y C -0.084 175.882 175.900 0.110 0.000 0.966 135 Y CA -0.698 57.422 58.100 0.033 0.000 1.136 135 Y CB 0.953 39.341 38.460 -0.120 0.000 1.170 135 Y HN 0.509 nan 8.280 nan 0.000 0.470 136 D N 5.528 125.782 120.400 -0.243 0.000 2.383 136 D HA 0.075 4.456 4.640 -0.433 0.000 0.252 136 D C 0.423 176.451 176.300 -0.454 0.000 1.166 136 D CA 0.485 54.349 54.000 -0.227 0.000 0.879 136 D CB 1.216 41.919 40.800 -0.162 0.000 1.164 136 D HN 0.845 nan 8.370 nan 0.000 0.462 137 L N 3.709 124.706 121.223 -0.377 0.000 2.477 137 L HA 0.044 4.125 4.340 -0.433 0.000 0.220 137 L C 2.169 178.857 176.870 -0.303 0.000 1.106 137 L CA -0.030 54.637 54.840 -0.287 0.000 0.851 137 L CB -0.080 41.793 42.059 -0.309 0.000 0.994 137 L HN 0.367 nan 8.230 nan 0.000 0.462 138 N N 1.368 119.855 118.700 -0.354 0.000 2.080 138 N HA -0.135 4.346 4.740 -0.433 0.000 0.189 138 N C 1.084 176.471 175.510 -0.204 0.000 1.036 138 N CA 1.256 54.146 53.050 -0.267 0.000 0.846 138 N CB -0.032 38.290 38.487 -0.275 0.000 1.015 138 N HN 0.443 nan 8.380 nan 0.000 0.423 139 K N 1.102 121.374 120.400 -0.212 0.000 2.493 139 K HA 0.260 4.320 4.320 -0.433 0.000 0.207 139 K C -0.274 176.206 176.600 -0.199 0.000 1.033 139 K CA -0.316 55.870 56.287 -0.168 0.000 1.161 139 K CB 0.428 32.850 32.500 -0.131 0.000 0.873 139 K HN -0.038 nan 8.250 nan 0.000 0.491 140 R N 1.696 122.046 120.500 -0.250 0.000 3.034 140 R HA -0.216 3.864 4.340 -0.433 0.000 0.237 140 R C -0.715 175.368 176.300 -0.362 0.000 0.861 140 R CA 0.858 56.804 56.100 -0.255 0.000 0.588 140 R CB -1.357 28.914 30.300 -0.048 0.000 1.035 140 R HN 0.607 nan 8.270 nan 0.000 0.488 141 Q N -0.081 119.322 119.800 -0.661 0.000 2.456 141 Q HA 0.469 4.549 4.340 -0.433 0.000 0.284 141 Q C -0.918 174.772 176.000 -0.516 0.000 1.061 141 Q CA -0.929 54.615 55.803 -0.432 0.000 0.799 141 Q CB 2.142 30.761 28.738 -0.197 0.000 1.445 141 Q HN 0.279 nan 8.270 nan 0.000 0.411 142 L N 2.371 123.516 121.223 -0.130 0.000 2.371 142 L HA 0.344 4.425 4.340 -0.433 0.000 0.272 142 L C -0.562 176.322 176.870 0.022 0.000 1.124 142 L CA -0.292 54.583 54.840 0.058 0.000 0.816 142 L CB 0.706 42.877 42.059 0.186 0.000 1.129 142 L HN 0.586 nan 8.230 nan 0.000 0.448 143 I N 2.191 122.795 120.570 0.058 0.000 2.371 143 I HA 0.103 4.013 4.170 -0.433 0.000 0.290 143 I C 0.930 177.076 176.117 0.048 0.000 1.028 143 I CA 0.413 61.733 61.300 0.035 0.000 1.345 143 I CB 1.555 39.566 38.000 0.019 0.000 1.407 143 I HN 0.695 nan 8.210 nan 0.000 0.501 144 T N 0.979 115.549 114.554 0.027 0.000 3.004 144 T HA 0.184 4.274 4.350 -0.433 0.000 0.266 144 T C 0.250 174.955 174.700 0.008 0.000 0.986 144 T CA -0.433 61.684 62.100 0.029 0.000 0.902 144 T CB -0.056 68.830 68.868 0.029 0.000 1.118 144 T HN 0.563 nan 8.240 nan 0.000 0.522 145 E N 1.905 122.103 120.200 -0.004 0.000 2.202 145 E HA 0.256 4.347 4.350 -0.433 0.000 0.272 145 E C -0.709 175.874 176.600 -0.029 0.000 0.951 145 E CA -0.576 55.815 56.400 -0.015 0.000 0.813 145 E CB 0.961 30.654 29.700 -0.012 0.000 1.151 145 E HN 0.108 nan 8.360 nan 0.000 0.398 146 E N 0.953 121.129 120.200 -0.040 0.000 2.269 146 E HA -0.234 3.857 4.350 -0.433 0.000 0.223 146 E C -0.389 176.162 176.600 -0.081 0.000 1.244 146 E CA 0.695 57.061 56.400 -0.057 0.000 0.713 146 E CB -1.489 28.188 29.700 -0.038 0.000 1.178 146 E HN 0.559 nan 8.360 nan 0.000 0.370 147 R N -0.304 120.142 120.500 -0.090 0.000 2.774 147 R HA 0.316 4.396 4.340 -0.433 0.000 0.269 147 R C 1.026 177.196 176.300 -0.217 0.000 1.068 147 R CA -0.517 55.520 56.100 -0.106 0.000 1.180 147 R CB 0.357 30.623 30.300 -0.057 0.000 1.077 147 R HN 0.063 nan 8.270 nan 0.000 0.513 148 I N 3.395 123.804 120.570 -0.268 0.000 2.598 148 I HA 0.022 3.932 4.170 -0.433 0.000 0.284 148 I C -1.820 174.033 176.117 -0.440 0.000 1.140 148 I CA -1.360 59.626 61.300 -0.523 0.000 1.420 148 I CB 0.250 37.958 38.000 -0.488 0.000 1.387 148 I HN 0.285 nan 8.210 nan 0.000 0.553 149 P HA 0.045 nan 4.420 nan 0.000 0.268 149 P C -0.678 176.473 177.300 -0.249 0.000 1.208 149 P CA -0.204 62.573 63.100 -0.537 0.000 0.777 149 P CB 0.369 31.373 31.700 -1.160 0.000 0.875 150 N N 2.285 120.923 118.700 -0.103 0.000 2.371 150 N HA 0.022 4.503 4.740 -0.433 0.000 0.243 150 N C 0.487 176.098 175.510 0.170 0.000 1.287 150 N CA 0.214 53.255 53.050 -0.015 0.000 0.911 150 N CB -0.381 38.093 38.487 -0.021 0.000 1.142 150 N HN 0.423 nan 8.380 nan 0.000 0.451 151 N N -1.553 117.200 118.700 0.089 0.000 2.747 151 N HA -0.164 4.316 4.740 -0.433 0.000 0.249 151 N C -0.840 174.795 175.510 0.209 0.000 1.107 151 N CA 0.690 53.805 53.050 0.108 0.000 0.707 151 N CB -1.815 36.720 38.487 0.079 0.000 1.054 151 N HN 0.460 nan 8.380 nan 0.000 0.555 152 T N 0.830 115.533 114.554 0.249 0.000 2.870 152 T HA 0.118 4.208 4.350 -0.433 0.000 0.300 152 T C 1.682 176.522 174.700 0.232 0.000 0.989 152 T CA 0.077 62.350 62.100 0.289 0.000 1.139 152 T CB 1.310 70.278 68.868 0.165 0.000 0.920 152 T HN 0.175 nan 8.240 nan 0.000 0.537 153 Q N 2.107 122.044 119.800 0.228 0.000 2.163 153 Q HA 0.137 4.218 4.340 -0.433 0.000 0.198 153 Q C 0.195 176.368 176.000 0.289 0.000 0.954 153 Q CA 0.618 56.586 55.803 0.276 0.000 0.851 153 Q CB 0.612 29.505 28.738 0.258 0.000 0.928 153 Q HN 0.697 nan 8.270 nan 0.000 0.459 154 W N -0.127 121.151 121.300 -0.038 0.000 3.372 154 W HA 0.578 4.978 4.660 -0.434 0.000 0.315 154 W C -2.229 174.223 176.519 -0.111 0.000 1.223 154 W CA -0.820 56.458 57.345 -0.112 0.000 1.202 154 W CB 1.260 30.596 29.460 -0.206 0.000 1.367 154 W HN -0.069 nan 8.180 nan 0.000 0.531 155 I N 4.234 124.135 120.570 -1.115 0.000 2.752 155 I HA 0.600 4.511 4.170 -0.433 0.000 0.295 155 I C -1.513 173.987 176.117 -1.027 0.000 1.219 155 I CA -0.018 60.762 61.300 -0.866 0.000 1.030 155 I CB 2.542 39.972 38.000 -0.949 0.000 1.259 155 I HN 0.340 nan 8.210 nan 0.000 0.423 156 T N 4.665 118.942 114.554 -0.461 0.000 2.932 156 T HA 0.458 4.549 4.350 -0.433 0.000 0.318 156 T C -1.632 173.036 174.700 -0.053 0.000 1.265 156 T CA -0.309 61.687 62.100 -0.174 0.000 1.036 156 T CB 0.645 69.665 68.868 0.252 0.000 1.209 156 T HN 0.536 nan 8.240 nan 0.000 0.484 157 W N 3.016 124.341 121.300 0.042 0.000 2.150 157 W HA 0.453 4.854 4.660 -0.432 0.000 0.341 157 W C 1.274 177.662 176.519 -0.220 0.000 1.276 157 W CA -0.543 56.775 57.345 -0.044 0.000 1.238 157 W CB 0.631 30.077 29.460 -0.023 0.000 1.128 157 W HN 0.814 nan 8.180 nan 0.000 0.581 158 S N 1.500 116.971 115.700 -0.381 0.000 2.589 158 S HA 0.127 4.338 4.470 -0.433 0.000 0.265 158 S C -1.831 172.591 174.600 -0.297 0.000 1.342 158 S CA -0.930 56.657 58.200 -1.021 0.000 1.005 158 S CB 0.817 63.213 63.200 -1.340 0.000 0.909 158 S HN 0.302 nan 8.310 nan 0.000 0.555 159 P HA 0.100 nan 4.420 nan 0.000 0.229 159 P C 0.060 177.327 177.300 -0.055 0.000 1.160 159 P CA 0.426 63.511 63.100 -0.024 0.000 0.777 159 P CB -0.182 31.539 31.700 0.036 0.000 0.814 160 V N -6.017 113.816 119.914 -0.134 0.000 2.876 160 V HA 0.890 4.750 4.120 -0.433 0.000 0.312 160 V C 0.480 176.470 176.094 -0.174 0.000 1.085 160 V CA -0.311 61.918 62.300 -0.118 0.000 0.945 160 V CB 1.061 32.828 31.823 -0.094 0.000 1.017 160 V HN 0.380 nan 8.190 nan 0.000 0.428 161 G N 2.842 111.555 108.800 -0.146 0.000 2.527 161 G HA2 -0.201 3.499 3.960 -0.433 0.000 0.268 161 G HA3 -0.201 3.499 3.960 -0.433 0.000 0.268 161 G C 0.272 175.089 174.900 -0.139 0.000 1.175 161 G CA 0.830 45.806 45.100 -0.206 0.000 0.962 161 G HN 2.506 nan 8.290 nan 0.000 0.560 162 H N -0.620 118.455 119.070 0.007 0.000 3.038 162 H HA 0.418 4.714 4.556 -0.433 0.000 0.238 162 H C 0.323 175.818 175.328 0.277 0.000 1.246 162 H CA -0.202 55.918 56.048 0.120 0.000 0.966 162 H CB -0.057 29.831 29.762 0.211 0.000 2.394 162 H HN 0.469 nan 8.280 nan 0.000 0.633 163 K N 1.642 122.091 120.400 0.082 0.000 2.219 163 K HA 0.447 4.507 4.320 -0.433 0.000 0.258 163 K C -0.445 176.206 176.600 0.086 0.000 1.008 163 K CA -0.380 55.916 56.287 0.015 0.000 0.928 163 K CB 1.680 34.018 32.500 -0.270 0.000 0.983 163 K HN 0.149 nan 8.250 nan 0.000 0.484 164 L N 0.991 122.274 121.223 0.099 0.000 2.381 164 L HA 0.528 4.609 4.340 -0.433 0.000 0.268 164 L C -0.937 176.099 176.870 0.276 0.000 0.997 164 L CA -0.795 54.079 54.840 0.057 0.000 0.818 164 L CB 2.142 44.105 42.059 -0.160 0.000 1.310 164 L HN 0.673 nan 8.230 nan 0.000 0.416 165 A N 2.610 125.621 122.820 0.319 0.000 2.343 165 A HA 0.802 4.862 4.320 -0.433 0.000 0.308 165 A C -1.591 176.032 177.584 0.064 0.000 1.092 165 A CA -0.377 51.753 52.037 0.155 0.000 0.751 165 A CB 1.041 20.104 19.000 0.105 0.000 1.203 165 A HN 0.626 nan 8.150 nan 0.000 0.452 166 Y N -0.143 120.135 120.300 -0.036 0.000 2.553 166 Y HA 0.759 5.049 4.550 -0.433 0.000 0.347 166 Y C -1.211 174.722 175.900 0.054 0.000 1.019 166 Y CA -1.728 56.331 58.100 -0.068 0.000 1.032 166 Y CB 1.111 39.460 38.460 -0.186 0.000 1.284 166 Y HN 0.372 nan 8.280 nan 0.000 0.466 167 V N 2.530 122.631 119.914 0.311 0.000 2.417 167 V HA 0.356 4.216 4.120 -0.433 0.000 0.291 167 V C -1.353 174.992 176.094 0.417 0.000 1.024 167 V CA -0.633 61.822 62.300 0.259 0.000 0.861 167 V CB 1.050 32.931 31.823 0.097 0.000 0.985 167 V HN 0.883 nan 8.190 nan 0.000 0.436 168 W N 5.081 126.526 121.300 0.242 0.000 3.042 168 W HA 0.472 4.874 4.660 -0.431 0.000 0.337 168 W C 0.378 176.991 176.519 0.155 0.000 1.086 168 W CA -0.560 56.889 57.345 0.174 0.000 1.236 168 W CB 1.256 30.789 29.460 0.120 0.000 1.381 168 W HN 0.728 nan 8.180 nan 0.000 0.472 169 N N 5.149 123.515 118.700 -0.557 0.000 2.721 169 N HA -0.331 4.149 4.740 -0.433 0.000 0.249 169 N C 0.062 175.438 175.510 -0.223 0.000 1.072 169 N CA 1.619 54.337 53.050 -0.553 0.000 0.710 169 N CB -1.079 36.865 38.487 -0.905 0.000 0.993 169 N HN 0.961 nan 8.380 nan 0.000 0.547 170 N N -1.307 117.320 118.700 -0.122 0.000 2.828 170 N HA -0.170 4.310 4.740 -0.433 0.000 0.248 170 N C -1.375 174.082 175.510 -0.088 0.000 1.044 170 N CA 1.275 54.271 53.050 -0.090 0.000 0.851 170 N CB -0.269 38.107 38.487 -0.184 0.000 1.136 170 N HN 0.423 nan 8.380 nan 0.000 0.572 171 D N 0.236 120.603 120.400 -0.055 0.000 2.457 171 D HA 0.455 4.835 4.640 -0.433 0.000 0.240 171 D C 0.034 176.198 176.300 -0.226 0.000 1.041 171 D CA -0.420 53.459 54.000 -0.200 0.000 0.861 171 D CB 1.586 42.231 40.800 -0.258 0.000 1.394 171 D HN 0.001 nan 8.370 nan 0.000 0.473 172 I N 1.610 121.873 120.570 -0.512 0.000 2.396 172 I HA 0.199 4.109 4.170 -0.433 0.000 0.292 172 I C -0.659 175.009 176.117 -0.749 0.000 0.999 172 I CA -0.342 60.649 61.300 -0.515 0.000 1.310 172 I CB 0.512 38.127 38.000 -0.642 0.000 1.404 172 I HN 0.149 nan 8.210 nan 0.000 0.496 173 Y N 4.290 124.211 120.300 -0.631 0.000 2.462 173 Y HA 0.615 4.905 4.550 -0.433 0.000 0.346 173 Y C -0.353 175.142 175.900 -0.675 0.000 0.976 173 Y CA -0.953 56.695 58.100 -0.753 0.000 1.044 173 Y CB 1.963 39.732 38.460 -1.152 0.000 1.230 173 Y HN 0.116 nan 8.280 nan 0.000 0.455 174 V N 3.264 123.020 119.914 -0.263 0.000 2.448 174 V HA 0.430 4.291 4.120 -0.433 0.000 0.295 174 V C -0.685 175.403 176.094 -0.011 0.000 1.025 174 V CA -1.232 61.012 62.300 -0.094 0.000 0.859 174 V CB 1.780 33.590 31.823 -0.022 0.000 0.988 174 V HN 0.598 nan 8.190 nan 0.000 0.431 175 K N 3.638 124.072 120.400 0.056 0.000 2.425 175 K HA 0.424 4.485 4.320 -0.433 0.000 0.259 175 K C 0.944 177.595 176.600 0.085 0.000 0.978 175 K CA -0.383 55.946 56.287 0.069 0.000 0.883 175 K CB 0.791 33.338 32.500 0.079 0.000 1.110 175 K HN 0.635 nan 8.250 nan 0.000 0.436 176 N N 1.767 120.514 118.700 0.077 0.000 2.106 176 N HA -0.098 4.382 4.740 -0.433 0.000 0.188 176 N C -0.361 175.215 175.510 0.109 0.000 1.029 176 N CA 1.207 54.304 53.050 0.080 0.000 0.848 176 N CB 0.377 38.902 38.487 0.063 0.000 1.007 176 N HN 0.557 nan 8.380 nan 0.000 0.423 177 E N -0.343 119.901 120.200 0.074 0.000 2.222 177 E HA 0.233 4.324 4.350 -0.433 0.000 0.267 177 E C -1.877 174.677 176.600 -0.076 0.000 0.884 177 E CA -1.860 54.561 56.400 0.035 0.000 0.764 177 E CB 2.135 31.859 29.700 0.040 0.000 1.169 177 E HN -0.068 nan 8.360 nan 0.000 0.413 178 P HA -0.173 nan 4.420 nan 0.000 0.217 178 P C 0.877 178.082 177.300 -0.158 0.000 1.148 178 P CA 1.325 64.261 63.100 -0.273 0.000 0.828 178 P CB 0.244 31.577 31.700 -0.611 0.000 0.783 179 N N -1.556 117.066 118.700 -0.130 0.000 2.336 179 N HA -0.003 4.477 4.740 -0.433 0.000 0.189 179 N C 0.354 175.843 175.510 -0.034 0.000 1.113 179 N CA 0.186 53.199 53.050 -0.062 0.000 0.858 179 N CB 0.040 38.505 38.487 -0.037 0.000 0.970 179 N HN 0.157 nan 8.380 nan 0.000 0.471 180 L N 1.193 122.399 121.223 -0.029 0.000 2.399 180 L HA 0.207 4.288 4.340 -0.433 0.000 0.265 180 L C 0.807 177.676 176.870 -0.001 0.000 1.089 180 L CA -0.439 54.398 54.840 -0.005 0.000 0.802 180 L CB 1.694 43.760 42.059 0.011 0.000 1.180 180 L HN 0.095 nan 8.230 nan 0.000 0.454 181 S N 1.167 116.872 115.700 0.008 0.000 2.560 181 S HA 0.054 4.264 4.470 -0.433 0.000 0.284 181 S C 0.251 174.869 174.600 0.030 0.000 1.327 181 S CA -0.371 57.837 58.200 0.013 0.000 1.055 181 S CB 0.764 63.975 63.200 0.018 0.000 0.868 181 S HN 0.674 nan 8.310 nan 0.000 0.506 182 S N 2.492 118.217 115.700 0.041 0.000 2.614 182 S HA 0.368 4.579 4.470 -0.433 0.000 0.265 182 S C -0.489 174.151 174.600 0.067 0.000 1.303 182 S CA -0.425 57.813 58.200 0.063 0.000 1.000 182 S CB 0.953 64.215 63.200 0.105 0.000 0.935 182 S HN 0.849 nan 8.310 nan 0.000 0.551 183 Q N 1.179 120.998 119.800 0.032 0.000 2.330 183 Q HA 0.418 4.499 4.340 -0.433 0.000 0.269 183 Q C -0.745 175.158 176.000 -0.162 0.000 1.022 183 Q CA -0.442 55.354 55.803 -0.012 0.000 0.796 183 Q CB 1.332 30.060 28.738 -0.016 0.000 1.271 183 Q HN 0.763 nan 8.270 nan 0.000 0.450 184 R N 4.287 124.622 120.500 -0.275 0.000 2.442 184 R HA 0.161 4.241 4.340 -0.433 0.000 0.291 184 R C 0.255 176.036 176.300 -0.865 0.000 1.069 184 R CA 0.124 55.712 56.100 -0.854 0.000 1.022 184 R CB 0.410 30.108 30.300 -1.003 0.000 0.976 184 R HN 0.768 nan 8.270 nan 0.000 0.443 185 I N 1.781 121.772 120.570 -0.965 0.000 3.445 185 I HA 0.029 3.939 4.170 -0.433 0.000 0.288 185 I C 0.875 176.482 176.117 -0.849 0.000 1.198 185 I CA 0.728 61.604 61.300 -0.705 0.000 1.417 185 I CB -0.507 37.139 38.000 -0.590 0.000 1.205 185 I HN 0.633 nan 8.210 nan 0.000 0.448 186 T N -3.353 110.553 114.554 -1.080 0.000 2.908 186 T HA 0.446 4.536 4.350 -0.433 0.000 0.290 186 T C -0.512 173.580 174.700 -1.013 0.000 1.034 186 T CA -0.506 61.066 62.100 -0.881 0.000 1.010 186 T CB 1.938 70.448 68.868 -0.596 0.000 1.068 186 T HN 0.214 nan 8.240 nan 0.000 0.481 187 W N -0.354 120.841 121.300 -0.175 0.000 2.534 187 W HA 0.210 4.610 4.660 -0.433 0.000 0.339 187 W C 1.900 178.371 176.519 -0.080 0.000 0.961 187 W CA -0.086 57.191 57.345 -0.114 0.000 1.545 187 W CB 0.112 29.519 29.460 -0.089 0.000 1.104 187 W HN 0.860 nan 8.180 nan 0.000 0.538 188 T N -2.168 112.422 114.554 0.061 0.000 3.065 188 T HA 0.232 4.323 4.350 -0.433 0.000 0.252 188 T C 1.362 176.060 174.700 -0.005 0.000 1.099 188 T CA 0.290 62.416 62.100 0.044 0.000 1.063 188 T CB -0.354 68.542 68.868 0.045 0.000 0.948 188 T HN 0.036 nan 8.240 nan 0.000 0.506 189 G N 1.550 110.320 108.800 -0.050 0.000 2.178 189 G HA2 0.304 4.004 3.960 -0.433 0.000 0.244 189 G HA3 0.304 4.004 3.960 -0.433 0.000 0.244 189 G C -0.529 174.315 174.900 -0.092 0.000 1.213 189 G CA -0.237 44.810 45.100 -0.088 0.000 0.912 189 G HN 0.540 nan 8.290 nan 0.000 0.474 190 K N 2.359 122.676 120.400 -0.139 0.000 2.550 190 K HA 0.145 4.206 4.320 -0.433 0.000 0.252 190 K C -0.234 176.240 176.600 -0.210 0.000 0.943 190 K CA -0.689 55.518 56.287 -0.133 0.000 0.806 190 K CB 1.780 34.236 32.500 -0.073 0.000 1.289 190 K HN 0.573 nan 8.250 nan 0.000 0.435 191 E N 2.437 122.530 120.200 -0.178 0.000 2.652 191 E HA -0.153 3.937 4.350 -0.433 0.000 0.255 191 E C -0.233 176.283 176.600 -0.139 0.000 0.952 191 E CA 1.146 57.443 56.400 -0.172 0.000 0.947 191 E CB 0.045 29.680 29.700 -0.108 0.000 0.912 191 E HN 0.761 nan 8.360 nan 0.000 0.489 192 N N 1.111 119.726 118.700 -0.143 0.000 2.815 192 N HA -0.269 4.211 4.740 -0.433 0.000 0.247 192 N C 0.299 175.850 175.510 0.068 0.000 1.030 192 N CA 0.495 53.571 53.050 0.044 0.000 0.881 192 N CB -0.399 38.133 38.487 0.076 0.000 1.134 192 N HN 0.200 nan 8.380 nan 0.000 0.582 193 V N -0.782 119.090 119.914 -0.070 0.000 3.278 193 V HA 0.268 4.128 4.120 -0.433 0.000 0.215 193 V C 0.180 176.308 176.094 0.058 0.000 1.287 193 V CA 0.452 62.771 62.300 0.032 0.000 1.302 193 V CB 0.730 32.556 31.823 0.006 0.000 1.228 193 V HN 0.091 nan 8.190 nan 0.000 0.523 194 I N 0.960 121.479 120.570 -0.085 0.000 2.418 194 I HA 0.441 4.351 4.170 -0.433 0.000 0.287 194 I C -1.548 174.504 176.117 -0.108 0.000 1.008 194 I CA -0.495 60.813 61.300 0.013 0.000 1.104 194 I CB 1.128 39.141 38.000 0.022 0.000 1.264 194 I HN 0.244 nan 8.210 nan 0.000 0.438 195 Y N 4.685 125.072 120.300 0.146 0.000 2.345 195 Y HA 0.384 4.673 4.550 -0.435 0.000 0.331 195 Y C 0.383 176.365 175.900 0.136 0.000 0.959 195 Y CA -0.711 57.482 58.100 0.155 0.000 1.204 195 Y CB 1.051 39.662 38.460 0.252 0.000 1.135 195 Y HN 0.420 nan 8.280 nan 0.000 0.477 196 N N 2.147 120.927 118.700 0.134 0.000 2.419 196 N HA 0.352 4.832 4.740 -0.433 0.000 0.277 196 N C 0.906 176.391 175.510 -0.042 0.000 1.006 196 N CA 0.485 53.556 53.050 0.035 0.000 0.923 196 N CB 1.907 40.297 38.487 -0.161 0.000 1.140 196 N HN 0.976 nan 8.380 nan 0.000 0.488 197 G N 0.475 109.274 108.800 -0.001 0.000 2.234 197 G HA2 -0.288 3.413 3.960 -0.433 0.000 0.260 197 G HA3 -0.288 3.413 3.960 -0.433 0.000 0.260 197 G C 0.053 174.846 174.900 -0.177 0.000 0.987 197 G CA 0.775 45.804 45.100 -0.119 0.000 0.625 197 G HN 0.690 nan 8.290 nan 0.000 0.532 198 V N -1.552 118.309 119.914 -0.088 0.000 2.962 198 V HA 0.913 4.773 4.120 -0.433 0.000 0.313 198 V C 0.427 176.509 176.094 -0.021 0.000 1.099 198 V CA -0.056 62.062 62.300 -0.304 0.000 0.971 198 V CB 1.434 32.762 31.823 -0.825 0.000 1.028 198 V HN 1.089 nan 8.190 nan 0.000 0.430 199 T N 0.442 114.875 114.554 -0.200 0.000 2.860 199 T HA 0.358 4.448 4.350 -0.433 0.000 0.299 199 T C 0.025 174.376 174.700 -0.582 0.000 1.045 199 T CA -0.085 61.649 62.100 -0.610 0.000 1.071 199 T CB 0.771 69.350 68.868 -0.481 0.000 0.985 199 T HN 1.078 nan 8.240 nan 0.000 0.537 200 D N 0.563 120.355 120.400 -1.014 0.000 2.440 200 D HA -0.010 4.370 4.640 -0.433 0.000 0.269 200 D C 0.992 177.112 176.300 -0.301 0.000 1.249 200 D CA -0.977 52.468 54.000 -0.926 0.000 1.055 200 D CB 0.109 40.429 40.800 -0.800 0.000 1.104 200 D HN 0.704 nan 8.370 nan 0.000 0.561 201 W N -0.065 121.095 121.300 -0.234 0.000 2.333 201 W HA -0.199 4.207 4.660 -0.424 0.000 0.316 201 W C 2.240 178.606 176.519 -0.256 0.000 1.215 201 W CA 2.131 59.360 57.345 -0.193 0.000 1.278 201 W CB -0.471 28.833 29.460 -0.259 0.000 1.154 201 W HN 0.177 nan 8.180 nan 0.000 0.486 202 V N -0.211 119.722 119.914 0.032 0.000 2.515 202 V HA -0.282 3.579 4.120 -0.433 0.000 0.250 202 V C 1.792 177.658 176.094 -0.381 0.000 1.058 202 V CA 1.889 64.104 62.300 -0.141 0.000 1.064 202 V CB -0.687 31.044 31.823 -0.153 0.000 0.675 202 V HN 0.292 nan 8.190 nan 0.000 0.461 203 Y N 0.356 120.368 120.300 -0.480 0.000 2.314 203 Y HA -0.111 4.179 4.550 -0.433 0.000 0.293 203 Y C 2.560 178.167 175.900 -0.489 0.000 1.129 203 Y CA 1.912 59.648 58.100 -0.605 0.000 1.201 203 Y CB 0.071 37.923 38.460 -1.014 0.000 0.999 203 Y HN 0.349 nan 8.280 nan 0.000 0.541 204 E N 0.301 120.332 120.200 -0.282 0.000 2.028 204 E HA -0.270 3.820 4.350 -0.433 0.000 0.191 204 E C 1.971 178.472 176.600 -0.165 0.000 0.988 204 E CA 1.464 57.769 56.400 -0.159 0.000 0.799 204 E CB 0.059 29.681 29.700 -0.130 0.000 0.755 204 E HN 0.396 nan 8.360 nan 0.000 0.447 205 E N 0.259 120.187 120.200 -0.453 0.000 2.046 205 E HA -0.149 3.942 4.350 -0.433 0.000 0.190 205 E C 1.630 178.107 176.600 -0.206 0.000 0.982 205 E CA 1.458 57.604 56.400 -0.424 0.000 0.800 205 E CB 0.181 29.310 29.700 -0.952 0.000 0.756 205 E HN 0.186 nan 8.360 nan 0.000 0.449 206 E N -0.860 119.195 120.200 -0.243 0.000 2.447 206 E HA 0.102 4.192 4.350 -0.433 0.000 0.204 206 E C 1.626 178.144 176.600 -0.136 0.000 0.977 206 E CA 0.368 56.682 56.400 -0.142 0.000 0.950 206 E CB 1.100 30.698 29.700 -0.170 0.000 0.975 206 E HN 0.204 nan 8.360 nan 0.000 0.496 207 V N -0.171 119.641 119.914 -0.169 0.000 2.870 207 V HA 0.047 3.907 4.120 -0.433 0.000 0.232 207 V C 1.641 177.899 176.094 0.272 0.000 1.161 207 V CA 0.477 62.742 62.300 -0.058 0.000 1.204 207 V CB -0.281 31.354 31.823 -0.312 0.000 1.003 207 V HN 0.013 nan 8.190 nan 0.000 0.499 208 F N 0.610 120.568 119.950 0.014 0.000 2.473 208 F HA 0.289 4.557 4.527 -0.432 0.000 0.294 208 F C 1.887 177.651 175.800 -0.059 0.000 1.103 208 F CA 0.513 58.533 58.000 0.034 0.000 1.442 208 F CB -0.628 38.415 39.000 0.072 0.000 1.097 208 F HN 0.216 nan 8.300 nan 0.000 0.547 209 S N -0.363 115.378 115.700 0.068 0.000 3.587 209 S HA -0.015 4.196 4.470 -0.433 0.000 0.337 209 S C -0.012 174.216 174.600 -0.620 0.000 1.119 209 S CA 0.427 58.509 58.200 -0.196 0.000 0.976 209 S CB -1.425 61.710 63.200 -0.107 0.000 0.922 209 S HN 0.697 nan 8.310 nan 0.000 0.503 210 A N -0.650 122.023 122.820 -0.245 0.000 2.601 210 A HA 0.692 4.753 4.320 -0.433 0.000 0.291 210 A C -0.376 177.250 177.584 0.070 0.000 1.075 210 A CA -0.258 51.687 52.037 -0.153 0.000 0.671 210 A CB 0.192 19.112 19.000 -0.133 0.000 1.277 210 A HN 0.434 nan 8.150 nan 0.000 0.417 211 Y N 1.038 121.259 120.300 -0.133 0.000 2.397 211 Y HA 0.227 4.519 4.550 -0.430 0.000 0.292 211 Y C 1.589 177.291 175.900 -0.329 0.000 1.115 211 Y CA 0.939 58.948 58.100 -0.151 0.000 1.208 211 Y CB -0.049 38.364 38.460 -0.078 0.000 1.046 211 Y HN 0.643 nan 8.280 nan 0.000 0.552 212 S N 0.609 115.874 115.700 -0.726 0.000 2.552 212 S HA 0.362 4.573 4.470 -0.433 0.000 0.289 212 S C 0.386 174.628 174.600 -0.598 0.000 1.304 212 S CA 0.337 57.822 58.200 -1.191 0.000 1.063 212 S CB 0.225 62.373 63.200 -1.752 0.000 0.848 212 S HN 0.430 nan 8.310 nan 0.000 0.499 213 A N 5.828 128.273 122.820 -0.625 0.000 2.795 213 A HA 0.508 4.569 4.320 -0.433 0.000 0.282 213 A C -0.471 176.455 177.584 -1.095 0.000 0.964 213 A CA -0.467 51.227 52.037 -0.572 0.000 1.045 213 A CB 0.043 19.153 19.000 0.182 0.000 1.174 213 A HN 0.704 nan 8.150 nan 0.000 0.493 214 L N 0.190 120.622 121.223 -1.319 0.000 2.362 214 L HA 0.632 4.713 4.340 -0.433 0.000 0.271 214 L C -1.132 175.193 176.870 -0.907 0.000 1.002 214 L CA -0.618 53.730 54.840 -0.819 0.000 0.818 214 L CB 1.982 43.835 42.059 -0.344 0.000 1.298 214 L HN 0.441 nan 8.230 nan 0.000 0.420 215 W N 2.225 123.590 121.300 0.108 0.000 2.642 215 W HA 0.201 4.601 4.660 -0.433 0.000 0.304 215 W C -1.197 175.548 176.519 0.377 0.000 1.023 215 W CA -1.095 56.434 57.345 0.306 0.000 1.290 215 W CB 1.015 30.696 29.460 0.368 0.000 1.190 215 W HN 0.495 nan 8.180 nan 0.000 0.374 216 W N 2.588 124.098 121.300 0.350 0.000 2.181 216 W HA 0.203 4.603 4.660 -0.433 0.000 0.335 216 W C 1.386 177.702 176.519 -0.339 0.000 1.310 216 W CA 0.485 57.886 57.345 0.093 0.000 1.226 216 W CB 0.828 30.325 29.460 0.062 0.000 1.155 216 W HN 0.190 nan 8.180 nan 0.000 0.565 217 S N 3.263 118.666 115.700 -0.495 0.000 2.579 217 S HA 0.127 4.337 4.470 -0.433 0.000 0.275 217 S C -1.696 172.659 174.600 -0.408 0.000 1.345 217 S CA -1.027 56.407 58.200 -1.275 0.000 1.031 217 S CB 1.176 63.745 63.200 -1.051 0.000 0.892 217 S HN 0.295 nan 8.310 nan 0.000 0.529 218 P HA -0.134 nan 4.420 nan 0.000 0.217 218 P C 0.780 178.050 177.300 -0.049 0.000 1.151 218 P CA 1.371 64.439 63.100 -0.052 0.000 0.849 218 P CB -0.057 31.660 31.700 0.028 0.000 0.787 219 N N -2.137 116.518 118.700 -0.074 0.000 2.214 219 N HA 0.078 4.558 4.740 -0.433 0.000 0.214 219 N C 0.732 176.178 175.510 -0.107 0.000 1.132 219 N CA 0.538 53.544 53.050 -0.073 0.000 0.856 219 N CB 0.136 38.595 38.487 -0.047 0.000 1.020 219 N HN 0.021 nan 8.380 nan 0.000 0.509 220 G N 0.398 109.143 108.800 -0.092 0.000 2.184 220 G HA2 -0.315 3.385 3.960 -0.433 0.000 0.264 220 G HA3 -0.315 3.385 3.960 -0.433 0.000 0.264 220 G C 0.973 175.910 174.900 0.061 0.000 0.975 220 G CA 1.031 46.107 45.100 -0.041 0.000 0.642 220 G HN 0.378 nan 8.290 nan 0.000 0.536 221 T N -0.126 114.356 114.554 -0.120 0.000 2.708 221 T HA 0.132 4.222 4.350 -0.433 0.000 0.266 221 T C 0.815 175.261 174.700 -0.423 0.000 1.037 221 T CA 1.516 63.383 62.100 -0.387 0.000 1.146 221 T CB -0.096 68.347 68.868 -0.709 0.000 0.865 221 T HN 0.337 nan 8.240 nan 0.000 0.435 222 F N 0.115 120.102 119.950 0.062 0.000 2.480 222 F HA 0.635 4.902 4.527 -0.433 0.000 0.329 222 F C -0.333 175.506 175.800 0.066 0.000 1.091 222 F CA -1.645 56.421 58.000 0.111 0.000 0.972 222 F CB 1.306 40.450 39.000 0.241 0.000 1.150 222 F HN -0.117 nan 8.300 nan 0.000 0.467 223 L N 2.947 124.270 121.223 0.167 0.000 2.316 223 L HA 0.816 4.896 4.340 -0.433 0.000 0.280 223 L C -0.563 176.394 176.870 0.145 0.000 1.006 223 L CA -0.470 54.292 54.840 -0.130 0.000 0.836 223 L CB 0.744 42.409 42.059 -0.656 0.000 1.221 223 L HN 0.691 nan 8.230 nan 0.000 0.418 224 A N 4.888 127.889 122.820 0.302 0.000 2.306 224 A HA 0.738 4.798 4.320 -0.433 0.000 0.314 224 A C -1.394 176.316 177.584 0.209 0.000 1.164 224 A CA -0.282 51.838 52.037 0.137 0.000 0.822 224 A CB 0.508 19.638 19.000 0.217 0.000 1.130 224 A HN 0.839 nan 8.150 nan 0.000 0.496 225 Y N -1.097 119.053 120.300 -0.251 0.000 2.571 225 Y HA 0.750 5.040 4.550 -0.433 0.000 0.341 225 Y C -0.348 175.455 175.900 -0.161 0.000 1.076 225 Y CA -1.031 57.006 58.100 -0.104 0.000 1.029 225 Y CB 0.985 39.339 38.460 -0.176 0.000 1.308 225 Y HN 0.883 nan 8.280 nan 0.000 0.461 226 A N 2.944 125.873 122.820 0.182 0.000 2.312 226 A HA 0.590 4.650 4.320 -0.433 0.000 0.326 226 A C -0.940 176.485 177.584 -0.265 0.000 1.172 226 A CA -0.793 51.178 52.037 -0.109 0.000 0.821 226 A CB 1.374 20.336 19.000 -0.062 0.000 1.166 226 A HN 0.828 nan 8.150 nan 0.000 0.493 227 Q N 1.524 121.115 119.800 -0.347 0.000 2.316 227 Q HA 0.615 4.696 4.340 -0.433 0.000 0.264 227 Q C -1.982 173.740 176.000 -0.462 0.000 0.987 227 Q CA -0.389 55.308 55.803 -0.177 0.000 0.852 227 Q CB 0.917 29.786 28.738 0.219 0.000 1.287 227 Q HN 0.594 nan 8.270 nan 0.000 0.448 228 F N 2.518 122.537 119.950 0.114 0.000 2.458 228 F HA 0.390 4.658 4.527 -0.431 0.000 0.336 228 F C 0.324 176.240 175.800 0.194 0.000 1.114 228 F CA -0.972 57.070 58.000 0.070 0.000 0.987 228 F CB 1.358 40.314 39.000 -0.074 0.000 1.130 228 F HN 0.444 nan 8.300 nan 0.000 0.458 229 N N 2.082 120.964 118.700 0.303 0.000 2.444 229 N HA 0.219 4.699 4.740 -0.433 0.000 0.262 229 N C -0.793 174.863 175.510 0.243 0.000 0.974 229 N CA -0.231 52.964 53.050 0.242 0.000 0.933 229 N CB 1.234 39.815 38.487 0.156 0.000 1.137 229 N HN 0.623 nan 8.380 nan 0.000 0.498 230 D N 1.053 121.609 120.400 0.260 0.000 2.440 230 D HA 0.125 4.505 4.640 -0.433 0.000 0.216 230 D C 1.132 177.527 176.300 0.158 0.000 1.150 230 D CA 0.106 54.243 54.000 0.229 0.000 0.832 230 D CB 0.652 41.643 40.800 0.318 0.000 0.992 230 D HN 0.480 nan 8.370 nan 0.000 0.502 231 T N 0.391 115.021 114.554 0.126 0.000 2.624 231 T HA -0.250 3.841 4.350 -0.433 0.000 0.266 231 T C 1.444 176.188 174.700 0.073 0.000 1.050 231 T CA 1.390 63.542 62.100 0.086 0.000 1.163 231 T CB -0.117 68.793 68.868 0.069 0.000 0.861 231 T HN 0.323 nan 8.240 nan 0.000 0.443 232 E N 0.329 120.573 120.200 0.073 0.000 2.474 232 E HA 0.139 4.230 4.350 -0.433 0.000 0.195 232 E C -0.194 176.443 176.600 0.063 0.000 1.039 232 E CA -0.211 56.224 56.400 0.058 0.000 0.881 232 E CB 0.398 30.127 29.700 0.047 0.000 0.970 232 E HN 0.246 nan 8.360 nan 0.000 0.486 233 V N 3.899 123.862 119.914 0.082 0.000 2.470 233 V HA 0.089 3.949 4.120 -0.433 0.000 0.276 233 V C -2.053 174.086 176.094 0.075 0.000 1.040 233 V CA -1.480 60.871 62.300 0.086 0.000 1.008 233 V CB 0.261 32.151 31.823 0.110 0.000 0.990 233 V HN 0.017 nan 8.190 nan 0.000 0.477 234 P HA 0.268 nan 4.420 nan 0.000 0.272 234 P C -0.705 176.622 177.300 0.044 0.000 1.223 234 P CA -0.290 62.838 63.100 0.047 0.000 0.784 234 P CB 0.519 32.247 31.700 0.046 0.000 0.923 235 L N 2.335 123.563 121.223 0.009 0.000 2.289 235 L HA 0.413 4.493 4.340 -0.433 0.000 0.285 235 L C 0.480 177.295 176.870 -0.091 0.000 1.049 235 L CA -0.943 53.883 54.840 -0.022 0.000 0.804 235 L CB 0.845 42.886 42.059 -0.030 0.000 1.195 235 L HN 0.298 nan 8.230 nan 0.000 0.428 236 I N 3.120 123.590 120.570 -0.167 0.000 2.441 236 I HA 0.167 4.077 4.170 -0.433 0.000 0.287 236 I C -0.176 175.784 176.117 -0.261 0.000 1.049 236 I CA 0.384 61.483 61.300 -0.336 0.000 1.381 236 I CB 0.551 38.078 38.000 -0.789 0.000 1.409 236 I HN 0.571 nan 8.210 nan 0.000 0.523 237 E N 7.694 127.761 120.200 -0.221 0.000 2.222 237 E HA 0.511 4.601 4.350 -0.433 0.000 0.267 237 E C -1.720 174.812 176.600 -0.114 0.000 0.884 237 E CA -0.645 55.626 56.400 -0.216 0.000 0.764 237 E CB 2.056 31.661 29.700 -0.158 0.000 1.169 237 E HN 0.578 nan 8.360 nan 0.000 0.413 238 Y N -2.045 118.164 120.300 -0.151 0.000 2.609 238 Y HA 0.487 4.763 4.550 -0.455 0.000 0.336 238 Y C -0.777 175.043 175.900 -0.134 0.000 1.129 238 Y CA -1.282 56.737 58.100 -0.136 0.000 1.040 238 Y CB 0.912 39.301 38.460 -0.118 0.000 1.310 238 Y HN 0.210 nan 8.280 nan 0.000 0.460 239 S N 2.227 117.901 115.700 -0.044 0.000 2.528 239 S HA 0.380 4.590 4.470 -0.433 0.000 0.277 239 S C -1.272 173.127 174.600 -0.336 0.000 1.297 239 S CA -0.338 57.663 58.200 -0.331 0.000 1.052 239 S CB 0.007 62.836 63.200 -0.619 0.000 0.917 239 S HN 0.513 nan 8.310 nan 0.000 0.492 240 F N 3.153 122.851 119.950 -0.420 0.000 2.426 240 F HA 0.417 4.689 4.527 -0.425 0.000 0.348 240 F C -0.070 175.530 175.800 -0.334 0.000 1.124 240 F CA -0.795 57.049 58.000 -0.261 0.000 1.008 240 F CB 0.746 39.717 39.000 -0.049 0.000 1.139 240 F HN 0.661 nan 8.300 nan 0.000 0.452 241 Y N 2.673 122.806 120.300 -0.279 0.000 2.476 241 Y HA 0.123 4.332 4.550 -0.569 0.000 0.283 241 Y C 1.691 177.543 175.900 -0.081 0.000 1.109 241 Y CA 0.923 58.936 58.100 -0.145 0.000 1.246 241 Y CB -0.517 37.833 38.460 -0.183 0.000 1.068 241 Y HN 0.748 nan 8.280 nan 0.000 0.552 242 S N -0.010 115.648 115.700 -0.070 0.000 3.387 242 S HA -0.331 3.879 4.470 -0.433 0.000 0.633 242 S C -0.148 174.511 174.600 0.097 0.000 2.641 242 S CA 0.411 58.708 58.200 0.161 0.000 2.931 242 S CB -1.434 61.957 63.200 0.319 0.000 0.327 242 S HN 0.596 nan 8.310 nan 0.000 1.716 243 D N 1.009 121.484 120.400 0.124 0.000 2.423 243 D HA 0.230 4.610 4.640 -0.433 0.000 0.238 243 D C 1.440 177.777 176.300 0.062 0.000 1.142 243 D CA 0.893 54.942 54.000 0.082 0.000 0.884 243 D CB 0.452 41.301 40.800 0.082 0.000 1.199 243 D HN 0.493 nan 8.370 nan 0.000 0.438 244 E N 0.850 121.073 120.200 0.038 0.000 2.208 244 E HA -0.283 3.808 4.350 -0.433 0.000 0.202 244 E C 1.584 178.199 176.600 0.025 0.000 1.014 244 E CA 1.459 57.872 56.400 0.022 0.000 0.819 244 E CB 0.041 29.748 29.700 0.011 0.000 0.735 244 E HN 0.583 nan 8.360 nan 0.000 0.469 245 S N -0.047 115.675 115.700 0.036 0.000 2.474 245 S HA -0.064 4.147 4.470 -0.433 0.000 0.235 245 S C 1.073 175.702 174.600 0.047 0.000 0.997 245 S CA 0.047 58.269 58.200 0.036 0.000 0.949 245 S CB -0.083 63.140 63.200 0.039 0.000 0.766 245 S HN 0.192 nan 8.310 nan 0.000 0.517 246 L N 2.428 123.688 121.223 0.062 0.000 2.456 246 L HA 0.132 4.212 4.340 -0.433 0.000 0.277 246 L C 1.675 178.583 176.870 0.063 0.000 1.124 246 L CA -0.001 54.888 54.840 0.082 0.000 0.880 246 L CB 0.894 43.017 42.059 0.107 0.000 1.192 246 L HN 0.449 nan 8.230 nan 0.000 0.463 247 Q N 4.099 123.940 119.800 0.069 0.000 2.119 247 Q HA -0.108 3.973 4.340 -0.433 0.000 0.201 247 Q C -0.613 175.297 176.000 -0.150 0.000 0.972 247 Q CA 1.395 57.183 55.803 -0.025 0.000 0.847 247 Q CB 0.220 28.977 28.738 0.032 0.000 0.903 247 Q HN 0.571 nan 8.270 nan 0.000 0.433 248 Y N 0.445 120.763 120.300 0.030 0.000 2.364 248 Y HA 0.410 4.699 4.550 -0.436 0.000 0.340 248 Y C -2.095 173.825 175.900 0.032 0.000 0.975 248 Y CA -3.013 55.103 58.100 0.027 0.000 1.089 248 Y CB 1.432 39.899 38.460 0.011 0.000 1.192 248 Y HN 0.123 nan 8.280 nan 0.000 0.454 249 P HA 0.131 nan 4.420 nan 0.000 0.271 249 P C -1.090 176.231 177.300 0.035 0.000 1.218 249 P CA -0.635 62.504 63.100 0.065 0.000 0.780 249 P CB 0.626 32.323 31.700 -0.005 0.000 0.901 250 K N -0.195 120.206 120.400 0.001 0.000 2.123 250 K HA 0.635 4.696 4.320 -0.433 0.000 0.248 250 K C -0.812 175.739 176.600 -0.081 0.000 0.969 250 K CA -0.717 55.561 56.287 -0.015 0.000 0.882 250 K CB 0.650 33.157 32.500 0.013 0.000 1.080 250 K HN 0.176 nan 8.250 nan 0.000 0.441 251 T N 1.593 116.086 114.554 -0.101 0.000 2.749 251 T HA 0.230 4.320 4.350 -0.433 0.000 0.287 251 T C -0.318 174.253 174.700 -0.214 0.000 0.970 251 T CA -0.777 61.224 62.100 -0.164 0.000 0.980 251 T CB 1.080 69.867 68.868 -0.135 0.000 0.924 251 T HN 0.366 nan 8.240 nan 0.000 0.456 252 V N 5.231 124.919 119.914 -0.377 0.000 2.530 252 V HA 0.381 4.241 4.120 -0.433 0.000 0.282 252 V C 0.463 176.294 176.094 -0.439 0.000 1.048 252 V CA -0.423 61.606 62.300 -0.453 0.000 0.997 252 V CB 0.679 32.049 31.823 -0.755 0.000 0.987 252 V HN 0.724 nan 8.190 nan 0.000 0.477 253 R N 5.401 125.769 120.500 -0.220 0.000 2.451 253 R HA 0.676 4.756 4.340 -0.433 0.000 0.307 253 R C -1.350 174.931 176.300 -0.032 0.000 0.965 253 R CA -0.483 55.531 56.100 -0.143 0.000 0.865 253 R CB 1.766 32.012 30.300 -0.090 0.000 1.174 253 R HN 0.608 nan 8.270 nan 0.000 0.455 254 I N 3.293 123.839 120.570 -0.040 0.000 2.465 254 I HA 0.353 4.264 4.170 -0.433 0.000 0.291 254 I C -2.314 173.837 176.117 0.056 0.000 1.014 254 I CA -2.843 58.492 61.300 0.058 0.000 1.093 254 I CB 2.342 40.318 38.000 -0.040 0.000 1.267 254 I HN 0.244 nan 8.210 nan 0.000 0.431 255 P HA 0.032 nan 4.420 nan 0.000 0.269 255 P C -1.406 175.976 177.300 0.137 0.000 1.263 255 P CA 0.271 63.456 63.100 0.142 0.000 0.813 255 P CB -0.185 31.638 31.700 0.205 0.000 0.868 256 Y N 6.738 126.999 120.300 -0.065 0.000 2.322 256 Y HA 0.443 4.742 4.550 -0.419 0.000 0.324 256 Y C -2.738 173.125 175.900 -0.063 0.000 1.027 256 Y CA -3.191 54.825 58.100 -0.140 0.000 1.179 256 Y CB 1.798 40.063 38.460 -0.326 0.000 1.136 256 Y HN 0.255 nan 8.280 nan 0.000 0.449 257 P HA 0.271 nan 4.420 nan 0.000 0.291 257 P C -1.018 176.317 177.300 0.059 0.000 1.340 257 P CA -0.248 62.875 63.100 0.038 0.000 0.799 257 P CB 1.126 32.826 31.700 -0.000 0.000 0.917 258 K N 1.973 122.505 120.400 0.221 0.000 2.107 258 K HA 0.525 4.585 4.320 -0.433 0.000 0.251 258 K C 0.535 177.237 176.600 0.169 0.000 1.012 258 K CA -0.764 55.680 56.287 0.261 0.000 0.920 258 K CB 0.604 33.279 32.500 0.291 0.000 1.033 258 K HN 0.429 nan 8.250 nan 0.000 0.478 259 A N 0.910 123.856 122.820 0.210 0.000 2.573 259 A HA 0.245 4.305 4.320 -0.433 0.000 0.250 259 A C 1.238 178.864 177.584 0.070 0.000 1.049 259 A CA 1.058 53.201 52.037 0.176 0.000 0.767 259 A CB -1.258 17.929 19.000 0.312 0.000 0.965 259 A HN 0.923 nan 8.150 nan 0.000 0.514 260 G N 0.991 109.816 108.800 0.043 0.000 2.205 260 G HA2 0.097 3.797 3.960 -0.433 0.000 0.261 260 G HA3 0.097 3.797 3.960 -0.433 0.000 0.261 260 G C 0.696 175.605 174.900 0.015 0.000 0.980 260 G CA 0.797 45.897 45.100 -0.000 0.000 0.632 260 G HN 2.205 nan 8.290 nan 0.000 0.533 261 A N -0.228 122.617 122.820 0.042 0.000 2.280 261 A HA 0.674 4.735 4.320 -0.433 0.000 0.268 261 A C 0.541 178.149 177.584 0.039 0.000 1.111 261 A CA 0.464 52.529 52.037 0.045 0.000 0.814 261 A CB 0.296 19.339 19.000 0.071 0.000 1.093 261 A HN 0.592 nan 8.150 nan 0.000 0.498 262 E N 0.683 120.906 120.200 0.039 0.000 2.415 262 E HA 0.120 4.211 4.350 -0.433 0.000 0.260 262 E C -0.386 176.245 176.600 0.052 0.000 1.016 262 E CA 0.328 56.751 56.400 0.037 0.000 0.924 262 E CB -0.003 29.719 29.700 0.037 0.000 0.961 262 E HN 0.534 nan 8.360 nan 0.000 0.459 263 N N 4.179 122.908 118.700 0.049 0.000 2.476 263 N HA 0.398 4.878 4.740 -0.433 0.000 0.275 263 N C -2.485 173.087 175.510 0.105 0.000 1.190 263 N CA -1.791 51.307 53.050 0.079 0.000 0.977 263 N CB 0.620 39.151 38.487 0.074 0.000 1.200 263 N HN 0.345 nan 8.380 nan 0.000 0.515 264 P HA 0.083 nan 4.420 nan 0.000 0.271 264 P C -0.562 176.865 177.300 0.211 0.000 1.218 264 P CA -0.113 63.118 63.100 0.219 0.000 0.780 264 P CB 0.248 32.131 31.700 0.305 0.000 0.901 265 T N -0.780 113.873 114.554 0.165 0.000 2.934 265 T HA 0.527 4.617 4.350 -0.433 0.000 0.283 265 T C -0.145 174.638 174.700 0.137 0.000 1.005 265 T CA -0.833 61.323 62.100 0.094 0.000 1.041 265 T CB 1.466 70.360 68.868 0.043 0.000 1.042 265 T HN 0.295 nan 8.240 nan 0.000 0.505 266 V N 0.851 120.815 119.914 0.083 0.000 2.735 266 V HA 0.671 4.531 4.120 -0.433 0.000 0.310 266 V C -1.186 174.924 176.094 0.027 0.000 1.061 266 V CA -0.873 61.437 62.300 0.017 0.000 0.913 266 V CB 1.938 33.820 31.823 0.098 0.000 1.005 266 V HN 0.976 nan 8.190 nan 0.000 0.428 267 K N 4.824 125.159 120.400 -0.108 0.000 2.375 267 K HA 0.560 4.620 4.320 -0.433 0.000 0.249 267 K C -1.813 174.600 176.600 -0.312 0.000 0.942 267 K CA -0.499 55.663 56.287 -0.209 0.000 0.806 267 K CB 2.762 35.107 32.500 -0.258 0.000 1.227 267 K HN 0.563 nan 8.250 nan 0.000 0.430 268 F N 2.710 122.300 119.950 -0.600 0.000 2.493 268 F HA 0.511 4.778 4.527 -0.433 0.000 0.329 268 F C -1.499 173.784 175.800 -0.861 0.000 1.126 268 F CA -0.692 56.972 58.000 -0.561 0.000 0.937 268 F CB 0.804 39.641 39.000 -0.273 0.000 1.146 268 F HN 0.369 nan 8.300 nan 0.000 0.442 269 F N 4.823 124.130 119.950 -1.071 0.000 2.551 269 F HA 0.648 4.915 4.527 -0.433 0.000 0.316 269 F C -0.818 174.499 175.800 -0.806 0.000 1.089 269 F CA -1.266 56.248 58.000 -0.810 0.000 0.915 269 F CB 2.003 40.459 39.000 -0.906 0.000 1.186 269 F HN 0.054 nan 8.300 nan 0.000 0.456 270 V N 3.745 123.561 119.914 -0.163 0.000 2.357 270 V HA 0.415 4.276 4.120 -0.433 0.000 0.284 270 V C -0.404 175.843 176.094 0.255 0.000 1.018 270 V CA -0.817 61.450 62.300 -0.055 0.000 0.841 270 V CB 1.331 32.929 31.823 -0.375 0.000 0.991 270 V HN 0.520 nan 8.190 nan 0.000 0.437 271 V N 3.667 123.756 119.914 0.292 0.000 2.407 271 V HA 0.298 4.158 4.120 -0.433 0.000 0.278 271 V C 0.100 176.454 176.094 0.432 0.000 1.037 271 V CA -0.432 62.059 62.300 0.318 0.000 0.900 271 V CB 1.736 33.673 31.823 0.190 0.000 0.983 271 V HN 0.875 nan 8.190 nan 0.000 0.459 272 D N 3.586 124.258 120.400 0.453 0.000 2.336 272 D HA 0.085 4.465 4.640 -0.433 0.000 0.249 272 D C 1.270 177.649 176.300 0.131 0.000 1.213 272 D CA 0.059 54.263 54.000 0.339 0.000 0.870 272 D CB 1.697 42.725 40.800 0.380 0.000 1.076 272 D HN 0.740 nan 8.370 nan 0.000 0.483 273 T N 1.147 115.728 114.554 0.045 0.000 3.129 273 T HA 0.064 4.154 4.350 -0.433 0.000 0.251 273 T C 1.602 176.323 174.700 0.035 0.000 1.117 273 T CA 0.172 62.312 62.100 0.066 0.000 1.034 273 T CB 0.095 69.063 68.868 0.167 0.000 0.968 273 T HN 0.283 nan 8.240 nan 0.000 0.526 274 R N 1.373 121.862 120.500 -0.018 0.000 2.092 274 R HA -0.018 4.062 4.340 -0.433 0.000 0.231 274 R C 2.587 178.901 176.300 0.023 0.000 1.119 274 R CA 1.789 57.879 56.100 -0.017 0.000 0.970 274 R CB -0.482 29.787 30.300 -0.052 0.000 0.864 274 R HN 0.646 nan 8.270 nan 0.000 0.440 275 T N -1.519 113.064 114.554 0.048 0.000 3.107 275 T HA 0.189 4.279 4.350 -0.433 0.000 0.249 275 T C 0.784 175.521 174.700 0.060 0.000 1.096 275 T CA -0.140 61.997 62.100 0.061 0.000 1.012 275 T CB -0.021 68.897 68.868 0.084 0.000 0.977 275 T HN -0.017 nan 8.240 nan 0.000 0.527 276 L N 2.769 124.026 121.223 0.056 0.000 2.562 276 L HA 0.349 4.429 4.340 -0.433 0.000 0.271 276 L C 0.412 177.311 176.870 0.049 0.000 1.167 276 L CA 0.034 54.905 54.840 0.051 0.000 0.917 276 L CB 0.279 42.364 42.059 0.044 0.000 1.187 276 L HN 0.321 nan 8.230 nan 0.000 0.482 277 S N 3.922 119.654 115.700 0.053 0.000 2.535 277 S HA 0.432 4.642 4.470 -0.433 0.000 0.272 277 S C -2.189 172.446 174.600 0.059 0.000 1.149 277 S CA -1.054 57.177 58.200 0.051 0.000 0.888 277 S CB 1.969 65.198 63.200 0.047 0.000 1.110 277 S HN 0.261 nan 8.310 nan 0.000 0.463 278 P HA -0.045 nan 4.420 nan 0.000 0.217 278 P C 0.299 177.637 177.300 0.064 0.000 1.151 278 P CA 1.244 64.382 63.100 0.064 0.000 0.849 278 P CB 0.045 31.775 31.700 0.051 0.000 0.787 279 N N -1.215 117.516 118.700 0.050 0.000 2.328 279 N HA 0.310 4.790 4.740 -0.433 0.000 0.247 279 N C -0.202 175.333 175.510 0.040 0.000 1.165 279 N CA 0.014 53.088 53.050 0.040 0.000 0.873 279 N CB 0.614 39.118 38.487 0.029 0.000 1.125 279 N HN 0.051 nan 8.380 nan 0.000 0.513 280 A N 0.265 123.118 122.820 0.055 0.000 2.374 280 A HA 0.634 4.695 4.320 -0.433 0.000 0.317 280 A C 0.456 178.086 177.584 0.075 0.000 1.094 280 A CA -0.571 51.501 52.037 0.057 0.000 0.765 280 A CB 1.017 20.052 19.000 0.059 0.000 1.268 280 A HN 0.168 nan 8.150 nan 0.000 0.438 281 S N 0.368 116.109 115.700 0.069 0.000 2.589 281 S HA 0.415 4.625 4.470 -0.433 0.000 0.265 281 S C 0.108 174.776 174.600 0.114 0.000 1.342 281 S CA -0.446 57.806 58.200 0.087 0.000 1.005 281 S CB 0.573 63.811 63.200 0.063 0.000 0.909 281 S HN 0.926 nan 8.310 nan 0.000 0.555 282 V N 2.223 122.222 119.914 0.142 0.000 2.455 282 V HA 0.227 4.087 4.120 -0.433 0.000 0.273 282 V C 0.530 176.702 176.094 0.131 0.000 1.045 282 V CA -0.381 61.994 62.300 0.124 0.000 0.976 282 V CB 0.650 32.538 31.823 0.109 0.000 0.993 282 V HN 0.999 nan 8.190 nan 0.000 0.475 283 T N 5.002 119.645 114.554 0.148 0.000 2.723 283 T HA 0.449 4.540 4.350 -0.433 0.000 0.297 283 T C 0.146 174.997 174.700 0.252 0.000 0.925 283 T CA -0.209 62.009 62.100 0.197 0.000 1.030 283 T CB 0.331 69.323 68.868 0.207 0.000 0.905 283 T HN 0.923 nan 8.240 nan 0.000 0.502 284 S N 3.062 118.922 115.700 0.267 0.000 2.546 284 S HA 0.671 4.882 4.470 -0.433 0.000 0.274 284 S C -1.574 173.273 174.600 0.411 0.000 1.121 284 S CA -1.030 57.361 58.200 0.318 0.000 0.887 284 S CB 1.552 64.874 63.200 0.203 0.000 1.094 284 S HN 0.584 nan 8.310 nan 0.000 0.474 285 Y N 1.406 121.901 120.300 0.324 0.000 2.376 285 Y HA 0.486 4.776 4.550 -0.432 0.000 0.340 285 Y C -0.303 175.739 175.900 0.236 0.000 0.965 285 Y CA -0.521 57.765 58.100 0.309 0.000 1.078 285 Y CB 1.834 40.547 38.460 0.421 0.000 1.193 285 Y HN 0.893 nan 8.280 nan 0.000 0.452 286 Q N 6.528 126.099 119.800 -0.381 0.000 2.294 286 Q HA 0.428 4.508 4.340 -0.433 0.000 0.257 286 Q C -1.081 174.606 176.000 -0.523 0.000 0.955 286 Q CA -0.379 55.142 55.803 -0.469 0.000 0.936 286 Q CB 0.592 29.065 28.738 -0.443 0.000 1.188 286 Q HN 0.728 nan 8.270 nan 0.000 0.420 287 I N 5.114 125.567 120.570 -0.194 0.000 2.325 287 I HA 0.180 4.090 4.170 -0.433 0.000 0.291 287 I C 0.238 176.315 176.117 -0.066 0.000 1.019 287 I CA -0.809 60.480 61.300 -0.018 0.000 1.302 287 I CB 0.954 39.032 38.000 0.130 0.000 1.401 287 I HN 0.366 nan 8.210 nan 0.000 0.485 288 V N 5.399 125.219 119.914 -0.156 0.000 2.716 288 V HA 0.591 4.451 4.120 -0.433 0.000 0.304 288 V C -2.272 173.533 176.094 -0.481 0.000 1.053 288 V CA -2.028 60.092 62.300 -0.299 0.000 0.984 288 V CB 0.768 32.425 31.823 -0.277 0.000 1.021 288 V HN 0.513 nan 8.190 nan 0.000 0.467 289 P HA 0.304 nan 4.420 nan 0.000 0.270 289 P C -2.748 174.121 177.300 -0.718 0.000 1.223 289 P CA -1.218 61.003 63.100 -1.466 0.000 0.785 289 P CB -0.521 29.888 31.700 -2.152 0.000 0.923 290 P HA -0.027 nan 4.420 nan 0.000 0.267 290 P C 0.915 178.047 177.300 -0.279 0.000 1.200 290 P CA 0.259 63.193 63.100 -0.276 0.000 0.772 290 P CB 0.125 31.735 31.700 -0.151 0.000 0.855 291 A N 2.854 125.556 122.820 -0.197 0.000 1.915 291 A HA -0.268 3.792 4.320 -0.433 0.000 0.220 291 A C 2.145 179.618 177.584 -0.185 0.000 1.198 291 A CA 2.723 54.652 52.037 -0.180 0.000 0.647 291 A CB -1.928 16.997 19.000 -0.124 0.000 0.825 291 A HN 0.643 nan 8.150 nan 0.000 0.456 292 S N -1.206 114.404 115.700 -0.150 0.000 2.469 292 S HA -0.044 4.166 4.470 -0.433 0.000 0.238 292 S C 1.477 175.926 174.600 -0.253 0.000 0.998 292 S CA 1.409 59.498 58.200 -0.184 0.000 0.957 292 S CB -0.318 62.825 63.200 -0.096 0.000 0.764 292 S HN 0.288 nan 8.310 nan 0.000 0.514 293 V N 0.524 120.304 119.914 -0.223 0.000 3.085 293 V HA 0.284 4.144 4.120 -0.433 0.000 0.245 293 V C 2.086 177.964 176.094 -0.360 0.000 1.114 293 V CA 0.408 62.561 62.300 -0.245 0.000 1.108 293 V CB -0.230 31.463 31.823 -0.217 0.000 0.798 293 V HN 0.419 nan 8.190 nan 0.000 0.471 294 L N 0.659 121.631 121.223 -0.418 0.000 2.362 294 L HA -0.122 3.959 4.340 -0.433 0.000 0.219 294 L C 2.246 178.999 176.870 -0.194 0.000 1.134 294 L CA 1.351 55.958 54.840 -0.389 0.000 0.807 294 L CB -0.149 41.698 42.059 -0.353 0.000 0.927 294 L HN 0.492 nan 8.230 nan 0.000 0.447 295 I N -2.782 117.687 120.570 -0.169 0.000 2.756 295 I HA 0.113 4.023 4.170 -0.433 0.000 0.262 295 I C 1.078 177.146 176.117 -0.081 0.000 1.225 295 I CA 0.760 61.990 61.300 -0.118 0.000 1.472 295 I CB -0.711 37.213 38.000 -0.127 0.000 1.094 295 I HN 0.031 nan 8.210 nan 0.000 0.454 296 G N -0.608 108.155 108.800 -0.062 0.000 2.827 296 G HA2 0.367 4.067 3.960 -0.433 0.000 0.296 296 G HA3 0.367 4.067 3.960 -0.433 0.000 0.296 296 G C -1.731 173.189 174.900 0.034 0.000 1.362 296 G CA -0.658 44.423 45.100 -0.031 0.000 0.809 296 G HN -0.023 nan 8.290 nan 0.000 0.522 297 D N 1.228 121.606 120.400 -0.036 0.000 2.455 297 D HA 0.359 4.739 4.640 -0.433 0.000 0.241 297 D C 0.359 176.567 176.300 -0.153 0.000 1.138 297 D CA 0.669 54.593 54.000 -0.127 0.000 0.877 297 D CB 0.442 41.137 40.800 -0.175 0.000 1.187 297 D HN 0.512 nan 8.370 nan 0.000 0.451 298 H N -0.452 118.452 119.070 -0.277 0.000 2.960 298 H HA 0.490 4.787 4.556 -0.432 0.000 0.338 298 H C -1.296 173.848 175.328 -0.306 0.000 1.261 298 H CA -0.821 55.075 56.048 -0.254 0.000 1.136 298 H CB 0.477 30.216 29.762 -0.038 0.000 1.875 298 H HN 0.257 nan 8.280 nan 0.000 0.550 299 Y N 0.013 120.547 120.300 0.390 0.000 2.512 299 Y HA 0.359 4.650 4.550 -0.433 0.000 0.348 299 Y C -0.337 175.884 175.900 0.536 0.000 0.990 299 Y CA -1.148 57.187 58.100 0.392 0.000 1.033 299 Y CB 1.987 40.517 38.460 0.116 0.000 1.259 299 Y HN 0.487 nan 8.280 nan 0.000 0.461 300 L N 3.396 125.008 121.223 0.649 0.000 2.278 300 L HA 0.364 4.444 4.340 -0.433 0.000 0.287 300 L C 0.520 177.614 176.870 0.373 0.000 1.072 300 L CA -0.125 54.767 54.840 0.086 0.000 0.819 300 L CB 0.317 42.279 42.059 -0.162 0.000 1.176 300 L HN 0.994 nan 8.230 nan 0.000 0.435 301 C N 1.844 121.233 119.300 0.149 0.000 3.228 301 C HA 0.837 5.037 4.460 -0.433 0.000 0.290 301 C C 0.712 175.758 174.990 0.094 0.000 1.301 301 C CA 0.046 59.221 59.018 0.263 0.000 1.703 301 C CB -0.852 26.987 27.740 0.165 0.000 2.141 301 C HN 0.905 nan 8.230 nan 0.000 0.656 302 G N 0.150 108.834 108.800 -0.193 0.000 2.733 302 G HA2 0.558 4.258 3.960 -0.433 0.000 0.297 302 G HA3 0.558 4.258 3.960 -0.433 0.000 0.297 302 G C -1.867 172.635 174.900 -0.662 0.000 1.452 302 G CA -0.159 44.713 45.100 -0.380 0.000 0.940 302 G HN 0.348 nan 8.290 nan 0.000 0.547 303 V N 0.837 120.272 119.914 -0.799 0.000 2.577 303 V HA 0.790 4.650 4.120 -0.433 0.000 0.303 303 V C -0.351 175.322 176.094 -0.700 0.000 1.042 303 V CA -0.668 61.004 62.300 -1.047 0.000 0.872 303 V CB 2.086 32.770 31.823 -1.897 0.000 0.998 303 V HN 0.874 nan 8.190 nan 0.000 0.423 304 T N 3.169 117.371 114.554 -0.587 0.000 2.890 304 T HA 0.354 4.445 4.350 -0.433 0.000 0.295 304 T C -0.910 173.561 174.700 -0.381 0.000 0.993 304 T CA -0.350 61.552 62.100 -0.330 0.000 0.979 304 T CB 0.841 69.606 68.868 -0.171 0.000 0.967 304 T HN 0.568 nan 8.240 nan 0.000 0.441 305 W N 3.185 124.395 121.300 -0.150 0.000 2.356 305 W HA 0.329 4.729 4.660 -0.433 0.000 0.311 305 W C 1.090 177.528 176.519 -0.136 0.000 1.328 305 W CA -0.392 56.891 57.345 -0.102 0.000 1.251 305 W CB 0.613 30.102 29.460 0.048 0.000 1.280 305 W HN 0.490 nan 8.180 nan 0.000 0.524 306 V N 2.278 122.196 119.914 0.006 0.000 2.403 306 V HA 0.014 3.874 4.120 -0.433 0.000 0.239 306 V C 1.097 177.253 176.094 0.103 0.000 1.041 306 V CA 1.730 63.929 62.300 -0.168 0.000 1.051 306 V CB -0.415 31.053 31.823 -0.592 0.000 0.704 306 V HN 0.636 nan 8.190 nan 0.000 0.472 307 T N -4.204 110.474 114.554 0.206 0.000 2.693 307 T HA 0.352 4.442 4.350 -0.433 0.000 0.278 307 T C 0.646 175.563 174.700 0.363 0.000 0.994 307 T CA -0.494 61.750 62.100 0.241 0.000 1.033 307 T CB 1.820 70.802 68.868 0.189 0.000 1.342 307 T HN -0.020 nan 8.240 nan 0.000 0.538 308 E N 0.579 120.939 120.200 0.268 0.000 2.204 308 E HA -0.078 4.013 4.350 -0.433 0.000 0.195 308 E C 1.243 178.151 176.600 0.514 0.000 0.990 308 E CA 1.286 57.864 56.400 0.296 0.000 0.821 308 E CB 0.040 29.852 29.700 0.188 0.000 0.750 308 E HN 0.747 nan 8.360 nan 0.000 0.477 309 E N -0.159 120.283 120.200 0.404 0.000 2.548 309 E HA 0.137 4.228 4.350 -0.433 0.000 0.206 309 E C 0.331 177.148 176.600 0.363 0.000 1.005 309 E CA -0.175 56.404 56.400 0.298 0.000 0.951 309 E CB 0.957 30.772 29.700 0.192 0.000 1.035 309 E HN -0.104 nan 8.360 nan 0.000 0.470 310 R N 1.503 122.297 120.500 0.491 0.000 2.514 310 R HA 0.479 4.559 4.340 -0.433 0.000 0.296 310 R C -1.721 174.667 176.300 0.146 0.000 1.012 310 R CA -0.404 55.888 56.100 0.320 0.000 0.897 310 R CB 1.299 31.671 30.300 0.120 0.000 1.184 310 R HN 0.024 nan 8.270 nan 0.000 0.440 311 I N 2.378 122.891 120.570 -0.094 0.000 2.569 311 I HA 0.402 4.312 4.170 -0.433 0.000 0.296 311 I C -1.050 174.752 176.117 -0.525 0.000 1.028 311 I CA -0.444 60.491 61.300 -0.609 0.000 1.082 311 I CB 2.256 39.511 38.000 -1.241 0.000 1.264 311 I HN 0.653 nan 8.210 nan 0.000 0.429 312 S N 7.582 122.906 115.700 -0.627 0.000 2.454 312 S HA 0.674 4.885 4.470 -0.433 0.000 0.306 312 S C -1.118 173.136 174.600 -0.577 0.000 1.100 312 S CA -0.646 57.258 58.200 -0.494 0.000 1.087 312 S CB 0.804 63.749 63.200 -0.424 0.000 1.019 312 S HN 0.535 nan 8.310 nan 0.000 0.480 313 L N 4.096 125.016 121.223 -0.505 0.000 2.362 313 L HA 0.532 4.613 4.340 -0.433 0.000 0.275 313 L C -0.257 176.293 176.870 -0.534 0.000 0.998 313 L CA -0.605 53.819 54.840 -0.694 0.000 0.820 313 L CB 2.045 43.655 42.059 -0.748 0.000 1.270 313 L HN 0.671 nan 8.230 nan 0.000 0.415 314 Q N 2.358 121.783 119.800 -0.626 0.000 2.347 314 Q HA 0.361 4.441 4.340 -0.433 0.000 0.262 314 Q C -1.707 174.042 176.000 -0.418 0.000 0.980 314 Q CA -0.488 55.092 55.803 -0.372 0.000 0.867 314 Q CB 1.223 29.808 28.738 -0.254 0.000 1.242 314 Q HN 0.432 nan 8.270 nan 0.000 0.453 315 W N 3.746 125.016 121.300 -0.051 0.000 2.578 315 W HA 0.683 5.083 4.660 -0.433 0.000 0.353 315 W C -0.504 176.070 176.519 0.092 0.000 1.088 315 W CA -0.648 56.719 57.345 0.036 0.000 1.235 315 W CB 1.151 30.603 29.460 -0.013 0.000 1.362 315 W HN 0.483 nan 8.180 nan 0.000 0.592 316 I N 1.233 122.060 120.570 0.427 0.000 2.722 316 I HA 0.401 4.311 4.170 -0.433 0.000 0.295 316 I C -0.160 176.145 176.117 0.313 0.000 1.161 316 I CA -1.042 60.461 61.300 0.338 0.000 1.032 316 I CB 1.336 39.511 38.000 0.291 0.000 1.244 316 I HN 0.376 nan 8.210 nan 0.000 0.421 317 R N 4.696 125.345 120.500 0.248 0.000 2.738 317 R HA 0.253 4.333 4.340 -0.433 0.000 0.268 317 R C 1.058 177.386 176.300 0.047 0.000 1.062 317 R CA -0.387 55.782 56.100 0.116 0.000 1.158 317 R CB 0.401 30.746 30.300 0.075 0.000 1.046 317 R HN 0.630 nan 8.270 nan 0.000 0.493 318 R N 1.254 121.690 120.500 -0.106 0.000 2.117 318 R HA -0.216 3.864 4.340 -0.433 0.000 0.243 318 R C 1.916 178.247 176.300 0.052 0.000 1.143 318 R CA 2.017 58.032 56.100 -0.142 0.000 0.968 318 R CB -0.322 29.872 30.300 -0.177 0.000 0.863 318 R HN 0.767 nan 8.270 nan 0.000 0.444 319 A N 0.169 123.009 122.820 0.034 0.000 1.972 319 A HA -0.189 3.871 4.320 -0.433 0.000 0.219 319 A C 0.927 178.550 177.584 0.064 0.000 1.169 319 A CA 1.561 53.623 52.037 0.041 0.000 0.635 319 A CB -0.093 18.924 19.000 0.029 0.000 0.810 319 A HN 0.598 nan 8.150 nan 0.000 0.446 320 Q N -2.410 117.459 119.800 0.115 0.000 2.465 320 Q HA -0.214 3.866 4.340 -0.433 0.000 0.248 320 Q C 0.139 176.219 176.000 0.133 0.000 0.819 320 Q CA 0.718 56.600 55.803 0.132 0.000 1.219 320 Q CB -1.707 27.074 28.738 0.072 0.000 1.472 320 Q HN 0.967 nan 8.270 nan 0.000 0.630 321 N N -0.456 118.321 118.700 0.130 0.000 2.205 321 N HA 0.049 4.530 4.740 -0.433 0.000 0.201 321 N C -0.622 174.982 175.510 0.156 0.000 1.128 321 N CA 0.147 53.264 53.050 0.110 0.000 0.867 321 N CB 0.358 38.885 38.487 0.068 0.000 0.996 321 N HN 0.343 nan 8.380 nan 0.000 0.503 322 Y N 0.519 120.847 120.300 0.047 0.000 2.331 322 Y HA 0.574 4.864 4.550 -0.433 0.000 0.326 322 Y C -1.098 174.843 175.900 0.067 0.000 1.020 322 Y CA -1.081 57.046 58.100 0.045 0.000 1.136 322 Y CB 1.533 40.008 38.460 0.026 0.000 1.157 322 Y HN -0.003 nan 8.280 nan 0.000 0.444 323 S N 6.585 122.189 115.700 -0.160 0.000 2.536 323 S HA 0.771 4.982 4.470 -0.433 0.000 0.298 323 S C -1.625 172.869 174.600 -0.178 0.000 1.083 323 S CA -0.623 57.552 58.200 -0.042 0.000 0.995 323 S CB 1.027 64.229 63.200 0.003 0.000 1.058 323 S HN 0.722 nan 8.310 nan 0.000 0.488 324 I N 3.803 124.379 120.570 0.010 0.000 2.619 324 I HA 0.538 4.449 4.170 -0.433 0.000 0.292 324 I C -1.450 174.701 176.117 0.057 0.000 1.100 324 I CA -0.963 60.346 61.300 0.015 0.000 1.043 324 I CB 1.558 39.613 38.000 0.091 0.000 1.239 324 I HN 0.669 nan 8.210 nan 0.000 0.420 325 I N 6.100 126.675 120.570 0.008 0.000 2.321 325 I HA 0.261 4.172 4.170 -0.433 0.000 0.291 325 I C -0.950 175.188 176.117 0.035 0.000 0.998 325 I CA -0.192 61.091 61.300 -0.028 0.000 1.227 325 I CB 1.231 39.150 38.000 -0.135 0.000 1.368 325 I HN 0.458 nan 8.210 nan 0.000 0.466 326 D N 7.712 128.123 120.400 0.019 0.000 2.440 326 D HA 0.427 4.807 4.640 -0.433 0.000 0.239 326 D C -0.704 175.574 176.300 -0.036 0.000 1.084 326 D CA -0.293 53.723 54.000 0.026 0.000 0.843 326 D CB 1.002 41.854 40.800 0.087 0.000 1.097 326 D HN 0.254 nan 8.370 nan 0.000 0.531 327 I N 4.269 124.843 120.570 0.005 0.000 2.291 327 I HA 0.263 4.173 4.170 -0.433 0.000 0.290 327 I C -0.339 175.787 176.117 0.015 0.000 1.050 327 I CA -0.472 60.819 61.300 -0.015 0.000 1.245 327 I CB 0.713 38.768 38.000 0.091 0.000 1.405 327 I HN 0.344 nan 8.210 nan 0.000 0.478 328 C N 4.298 123.604 119.300 0.009 0.000 2.355 328 C HA 0.494 4.694 4.460 -0.433 0.000 0.332 328 C C -0.197 174.953 174.990 0.266 0.000 1.255 328 C CA -0.814 58.284 59.018 0.133 0.000 1.792 328 C CB 0.669 28.513 27.740 0.174 0.000 2.300 328 C HN 0.568 nan 8.230 nan 0.000 0.515 329 D N 0.603 121.113 120.400 0.183 0.000 2.192 329 D HA 0.248 4.628 4.640 -0.433 0.000 0.246 329 D C -0.572 175.627 176.300 -0.167 0.000 1.042 329 D CA -0.231 53.818 54.000 0.082 0.000 0.847 329 D CB 0.890 41.701 40.800 0.018 0.000 1.186 329 D HN 0.585 nan 8.370 nan 0.000 0.461 330 Y N 1.464 121.364 120.300 -0.668 0.000 2.496 330 Y HA 0.129 4.420 4.550 -0.433 0.000 0.334 330 Y C -0.044 175.522 175.900 -0.558 0.000 1.080 330 Y CA -0.139 57.263 58.100 -1.164 0.000 1.355 330 Y CB 0.515 38.145 38.460 -1.384 0.000 1.193 330 Y HN 0.188 nan 8.280 nan 0.000 0.523 331 D N 5.114 124.913 120.400 -1.001 0.000 2.380 331 D HA 0.107 4.487 4.640 -0.433 0.000 0.230 331 D C 0.817 176.577 176.300 -0.900 0.000 1.154 331 D CA 0.068 53.648 54.000 -0.700 0.000 0.859 331 D CB 0.813 41.319 40.800 -0.489 0.000 1.045 331 D HN 0.774 nan 8.370 nan 0.000 0.495 332 E N 1.198 121.069 120.200 -0.548 0.000 2.160 332 E HA -0.190 3.901 4.350 -0.433 0.000 0.195 332 E C 1.587 178.053 176.600 -0.224 0.000 0.991 332 E CA 1.202 57.415 56.400 -0.312 0.000 0.810 332 E CB 0.264 29.934 29.700 -0.051 0.000 0.742 332 E HN 0.552 nan 8.360 nan 0.000 0.466 333 S N -0.908 114.665 115.700 -0.211 0.000 2.446 333 S HA -0.069 4.141 4.470 -0.433 0.000 0.225 333 S C 1.968 176.486 174.600 -0.137 0.000 1.016 333 S CA 1.190 59.312 58.200 -0.130 0.000 0.943 333 S CB 0.079 63.220 63.200 -0.099 0.000 0.786 333 S HN 0.291 nan 8.310 nan 0.000 0.508 334 T N -3.716 110.705 114.554 -0.222 0.000 2.971 334 T HA 0.514 4.605 4.350 -0.433 0.000 0.252 334 T C 1.566 176.140 174.700 -0.210 0.000 1.022 334 T CA 0.586 62.576 62.100 -0.183 0.000 0.980 334 T CB -0.072 68.685 68.868 -0.185 0.000 1.044 334 T HN 1.174 nan 8.240 nan 0.000 0.501 335 G N 2.052 110.616 108.800 -0.393 0.000 2.160 335 G HA2 -0.253 3.448 3.960 -0.433 0.000 0.251 335 G HA3 -0.253 3.448 3.960 -0.433 0.000 0.251 335 G C 0.071 174.719 174.900 -0.421 0.000 1.008 335 G CA -0.022 44.879 45.100 -0.331 0.000 0.724 335 G HN 0.670 nan 8.290 nan 0.000 0.514 336 R N -1.491 118.591 120.500 -0.696 0.000 2.532 336 R HA 0.514 4.594 4.340 -0.433 0.000 0.272 336 R C -0.683 175.064 176.300 -0.921 0.000 1.032 336 R CA -0.600 54.913 56.100 -0.978 0.000 1.089 336 R CB 0.739 30.605 30.300 -0.725 0.000 1.098 336 R HN 0.199 nan 8.270 nan 0.000 0.526 337 W N 2.856 123.676 121.300 -0.799 0.000 2.278 337 W HA 0.403 4.803 4.660 -0.432 0.000 0.317 337 W C -0.400 176.066 176.519 -0.088 0.000 1.030 337 W CA -0.307 56.911 57.345 -0.210 0.000 1.334 337 W CB 0.558 30.044 29.460 0.043 0.000 1.215 337 W HN 0.276 nan 8.180 nan 0.000 0.405 338 I N 3.740 124.331 120.570 0.035 0.000 2.365 338 I HA 0.289 4.200 4.170 -0.433 0.000 0.291 338 I C 0.637 176.796 176.117 0.070 0.000 1.004 338 I CA -0.492 60.827 61.300 0.031 0.000 1.311 338 I CB 1.023 38.994 38.000 -0.049 0.000 1.401 338 I HN 0.294 nan 8.210 nan 0.000 0.491 339 S N 3.917 119.655 115.700 0.063 0.000 2.565 339 S HA 0.784 4.994 4.470 -0.433 0.000 0.290 339 S C -0.294 174.312 174.600 0.010 0.000 1.150 339 S CA -0.695 57.527 58.200 0.037 0.000 1.058 339 S CB 1.763 64.978 63.200 0.025 0.000 1.032 339 S HN 0.699 nan 8.310 nan 0.000 0.510 340 S N 0.826 116.526 115.700 0.000 0.000 2.569 340 S HA 0.463 4.673 4.470 -0.433 0.000 0.280 340 S C 0.598 175.180 174.600 -0.031 0.000 1.111 340 S CA -0.803 57.389 58.200 -0.013 0.000 0.887 340 S CB 1.038 64.234 63.200 -0.008 0.000 1.095 340 S HN 0.531 nan 8.310 nan 0.000 0.476 341 V N 2.147 122.039 119.914 -0.037 0.000 2.469 341 V HA -0.155 3.706 4.120 -0.433 0.000 0.251 341 V C 2.957 179.004 176.094 -0.079 0.000 1.064 341 V CA 2.493 64.761 62.300 -0.053 0.000 1.066 341 V CB -1.609 30.191 31.823 -0.040 0.000 0.667 341 V HN 1.013 nan 8.190 nan 0.000 0.461 342 A N -0.136 122.649 122.820 -0.059 0.000 1.933 342 A HA -0.179 3.882 4.320 -0.433 0.000 0.218 342 A C 2.277 179.797 177.584 -0.107 0.000 1.175 342 A CA 1.456 53.456 52.037 -0.062 0.000 0.628 342 A CB -0.390 18.598 19.000 -0.020 0.000 0.814 342 A HN 0.523 nan 8.150 nan 0.000 0.444 343 R N -0.550 119.905 120.500 -0.076 0.000 2.356 343 R HA 0.143 4.223 4.340 -0.433 0.000 0.234 343 R C -0.237 175.971 176.300 -0.154 0.000 0.929 343 R CA -0.033 56.044 56.100 -0.038 0.000 1.084 343 R CB 0.168 30.508 30.300 0.066 0.000 1.105 343 R HN 0.593 nan 8.270 nan 0.000 0.515 344 Q N 0.223 119.860 119.800 -0.273 0.000 2.278 344 Q HA 0.208 4.288 4.340 -0.433 0.000 0.257 344 Q C -1.145 174.616 176.000 -0.398 0.000 0.928 344 Q CA -0.263 55.411 55.803 -0.214 0.000 0.932 344 Q CB 1.524 30.202 28.738 -0.099 0.000 1.221 344 Q HN 0.222 nan 8.270 nan 0.000 0.434 345 H N 1.771 120.844 119.070 0.004 0.000 2.800 345 H HA 0.370 4.667 4.556 -0.433 0.000 0.322 345 H C -0.803 174.479 175.328 -0.077 0.000 0.979 345 H CA -0.433 55.606 56.048 -0.014 0.000 1.277 345 H CB 0.856 30.596 29.762 -0.036 0.000 1.484 345 H HN 0.457 nan 8.280 nan 0.000 0.512 346 I N 2.187 122.763 120.570 0.009 0.000 2.472 346 I HA 0.166 4.077 4.170 -0.433 0.000 0.290 346 I C 0.254 176.306 176.117 -0.108 0.000 1.016 346 I CA 0.039 61.255 61.300 -0.140 0.000 1.348 346 I CB 1.024 38.913 38.000 -0.184 0.000 1.417 346 I HN 0.597 nan 8.210 nan 0.000 0.521 347 E N 6.791 126.872 120.200 -0.198 0.000 2.246 347 E HA 0.556 4.646 4.350 -0.433 0.000 0.266 347 E C -1.462 175.041 176.600 -0.162 0.000 0.880 347 E CA -0.715 55.621 56.400 -0.106 0.000 0.762 347 E CB 1.732 31.403 29.700 -0.047 0.000 1.180 347 E HN 0.515 nan 8.360 nan 0.000 0.416 348 I N 0.204 120.723 120.570 -0.086 0.000 2.957 348 I HA 0.669 4.579 4.170 -0.433 0.000 0.310 348 I C -0.596 175.515 176.117 -0.010 0.000 1.063 348 I CA -0.720 60.550 61.300 -0.049 0.000 1.033 348 I CB 2.321 40.314 38.000 -0.012 0.000 1.230 348 I HN 0.238 nan 8.210 nan 0.000 0.447 349 S N 0.120 115.815 115.700 -0.007 0.000 2.594 349 S HA 0.505 4.716 4.470 -0.433 0.000 0.296 349 S C 0.510 175.083 174.600 -0.046 0.000 1.124 349 S CA -0.032 58.142 58.200 -0.042 0.000 1.011 349 S CB 1.219 64.351 63.200 -0.114 0.000 1.016 349 S HN 0.909 nan 8.310 nan 0.000 0.485 350 T N -0.091 114.438 114.554 -0.041 0.000 3.044 350 T HA -0.011 4.079 4.350 -0.433 0.000 0.255 350 T C 1.636 176.300 174.700 -0.060 0.000 1.073 350 T CA 1.017 63.097 62.100 -0.032 0.000 1.125 350 T CB -0.479 68.382 68.868 -0.012 0.000 0.908 350 T HN 0.632 nan 8.240 nan 0.000 0.480 351 T N -1.545 112.955 114.554 -0.090 0.000 3.057 351 T HA 0.582 4.672 4.350 -0.433 0.000 0.254 351 T C 1.284 175.811 174.700 -0.288 0.000 1.094 351 T CA 0.391 62.431 62.100 -0.101 0.000 1.088 351 T CB 0.273 69.145 68.868 0.007 0.000 0.934 351 T HN 0.621 nan 8.240 nan 0.000 0.497 352 G N 0.635 109.110 108.800 -0.541 0.000 3.218 352 G HA2 0.461 4.161 3.960 -0.433 0.000 0.143 352 G HA3 0.461 4.161 3.960 -0.433 0.000 0.143 352 G C -1.701 172.966 174.900 -0.387 0.000 1.220 352 G CA -0.411 44.262 45.100 -0.710 0.000 1.382 352 G HN 0.528 nan 8.290 nan 0.000 0.682 353 W N 0.102 121.094 121.300 -0.512 0.000 2.762 353 W HA 0.818 5.221 4.660 -0.430 0.000 0.355 353 W C -0.649 175.825 176.519 -0.076 0.000 1.124 353 W CA -1.442 55.777 57.345 -0.210 0.000 1.141 353 W CB 1.312 30.661 29.460 -0.186 0.000 1.432 353 W HN 0.275 nan 8.180 nan 0.000 0.586 354 V N 3.559 123.575 119.914 0.170 0.000 2.432 354 V HA 0.654 4.515 4.120 -0.433 0.000 0.275 354 V C 0.897 177.099 176.094 0.180 0.000 1.043 354 V CA 0.779 63.142 62.300 0.105 0.000 0.925 354 V CB 0.086 31.958 31.823 0.081 0.000 0.985 354 V HN 1.292 nan 8.190 nan 0.000 0.466 355 G N 5.422 114.287 108.800 0.108 0.000 2.750 355 G HA2 -0.232 3.469 3.960 -0.433 0.000 0.228 355 G HA3 -0.232 3.469 3.960 -0.433 0.000 0.228 355 G C 0.277 175.275 174.900 0.163 0.000 1.367 355 G CA 0.532 45.702 45.100 0.117 0.000 0.871 355 G HN 0.675 nan 8.290 nan 0.000 0.560 356 R N -1.334 119.221 120.500 0.092 0.000 2.072 356 R HA 0.320 4.400 4.340 -0.433 0.000 0.221 356 R C 2.260 178.454 176.300 -0.175 0.000 1.166 356 R CA 2.321 58.377 56.100 -0.074 0.000 0.917 356 R CB -0.311 29.908 30.300 -0.135 0.000 0.815 356 R HN 0.447 nan 8.270 nan 0.000 0.444 357 F N -0.454 119.623 119.950 0.211 0.000 2.724 357 F HA 0.304 4.572 4.527 -0.432 0.000 0.306 357 F C -0.091 175.768 175.800 0.099 0.000 1.100 357 F CA -0.465 57.627 58.000 0.154 0.000 1.255 357 F CB 0.631 39.732 39.000 0.168 0.000 1.072 357 F HN -0.054 nan 8.300 nan 0.000 0.589 358 R N -1.484 119.174 120.500 0.264 0.000 2.663 358 R HA 0.505 4.586 4.340 -0.433 0.000 0.267 358 R C -3.370 173.023 176.300 0.155 0.000 1.038 358 R CA -2.157 54.052 56.100 0.181 0.000 0.886 358 R CB -0.002 30.402 30.300 0.174 0.000 1.249 358 R HN -0.358 nan 8.270 nan 0.000 0.463 359 P HA 0.028 nan 4.420 nan 0.000 0.264 359 P C -0.461 176.887 177.300 0.079 0.000 1.183 359 P CA 0.160 63.311 63.100 0.085 0.000 0.763 359 P CB 0.578 32.309 31.700 0.050 0.000 0.807 360 A N 3.577 126.448 122.820 0.086 0.000 2.498 360 A HA 0.081 4.142 4.320 -0.433 0.000 0.239 360 A C 0.530 178.155 177.584 0.068 0.000 1.068 360 A CA -0.192 51.909 52.037 0.106 0.000 0.766 360 A CB -0.109 18.967 19.000 0.127 0.000 1.003 360 A HN 0.486 nan 8.150 nan 0.000 0.497 361 E N 2.496 122.744 120.200 0.080 0.000 2.354 361 E HA 0.253 4.343 4.350 -0.433 0.000 0.269 361 E C -2.369 174.232 176.600 0.002 0.000 1.036 361 E CA -1.592 54.799 56.400 -0.015 0.000 0.876 361 E CB 0.264 29.923 29.700 -0.068 0.000 1.009 361 E HN 0.452 nan 8.360 nan 0.000 0.416 362 P HA 0.103 nan 4.420 nan 0.000 0.276 362 P C -0.624 176.590 177.300 -0.144 0.000 1.230 362 P CA 0.106 63.100 63.100 -0.175 0.000 0.776 362 P CB 0.656 31.946 31.700 -0.683 0.000 0.888 363 H N 2.831 121.922 119.070 0.034 0.000 2.685 363 H HA 0.282 4.578 4.556 -0.433 0.000 0.307 363 H C -0.215 175.215 175.328 0.170 0.000 1.017 363 H CA -0.352 55.788 56.048 0.153 0.000 1.237 363 H CB 0.292 30.160 29.762 0.177 0.000 1.409 363 H HN 0.317 nan 8.280 nan 0.000 0.488 364 F N 1.756 121.866 119.950 0.266 0.000 2.375 364 F HA 0.068 4.335 4.527 -0.433 0.000 0.333 364 F C 1.513 177.480 175.800 0.278 0.000 1.104 364 F CA -0.492 57.673 58.000 0.275 0.000 1.149 364 F CB 1.047 40.140 39.000 0.156 0.000 1.190 364 F HN 0.364 nan 8.300 nan 0.000 0.533 365 T N -1.346 113.481 114.554 0.455 0.000 2.860 365 T HA 0.045 4.136 4.350 -0.433 0.000 0.299 365 T C 1.293 176.172 174.700 0.298 0.000 1.045 365 T CA -0.464 61.842 62.100 0.343 0.000 1.071 365 T CB 1.207 70.257 68.868 0.304 0.000 0.985 365 T HN 0.596 nan 8.240 nan 0.000 0.537 366 S N 1.009 116.844 115.700 0.225 0.000 2.387 366 S HA -0.198 4.013 4.470 -0.433 0.000 0.230 366 S C 1.614 176.322 174.600 0.179 0.000 1.035 366 S CA 2.080 60.392 58.200 0.187 0.000 1.014 366 S CB -0.856 62.432 63.200 0.147 0.000 0.836 366 S HN 0.978 nan 8.310 nan 0.000 0.466 367 D N -1.227 119.281 120.400 0.180 0.000 2.249 367 D HA 0.224 4.605 4.640 -0.433 0.000 0.205 367 D C 1.335 177.749 176.300 0.190 0.000 0.962 367 D CA 0.887 54.985 54.000 0.163 0.000 0.860 367 D CB -0.700 40.185 40.800 0.140 0.000 0.955 367 D HN 0.430 nan 8.370 nan 0.000 0.505 368 G N 0.183 109.138 108.800 0.259 0.000 2.136 368 G HA2 -0.358 3.342 3.960 -0.433 0.000 0.242 368 G HA3 -0.358 3.342 3.960 -0.433 0.000 0.242 368 G C 0.605 175.715 174.900 0.349 0.000 0.989 368 G CA 0.341 45.645 45.100 0.340 0.000 0.682 368 G HN 0.413 nan 8.290 nan 0.000 0.522 369 N N -0.037 118.826 118.700 0.271 0.000 2.412 369 N HA 0.310 4.790 4.740 -0.433 0.000 0.184 369 N C 0.887 176.525 175.510 0.214 0.000 1.101 369 N CA 0.851 54.032 53.050 0.219 0.000 0.881 369 N CB 0.287 38.864 38.487 0.149 0.000 0.969 369 N HN 0.726 nan 8.380 nan 0.000 0.459 370 S N -0.543 115.308 115.700 0.251 0.000 2.596 370 S HA 0.688 4.898 4.470 -0.433 0.000 0.270 370 S C -1.158 173.530 174.600 0.147 0.000 1.155 370 S CA -1.127 57.143 58.200 0.117 0.000 0.827 370 S CB 1.321 64.554 63.200 0.054 0.000 1.130 370 S HN 0.159 nan 8.310 nan 0.000 0.467 371 F N -1.587 118.208 119.950 -0.259 0.000 2.645 371 F HA 0.844 5.112 4.527 -0.433 0.000 0.310 371 F C -2.115 173.490 175.800 -0.325 0.000 1.102 371 F CA -1.504 56.242 58.000 -0.423 0.000 0.952 371 F CB 0.795 39.067 39.000 -1.212 0.000 1.326 371 F HN 0.589 nan 8.300 nan 0.000 0.456 372 Y N 1.369 121.739 120.300 0.115 0.000 2.352 372 Y HA 0.650 4.940 4.550 -0.433 0.000 0.339 372 Y C -0.238 175.776 175.900 0.191 0.000 0.992 372 Y CA -0.790 57.358 58.100 0.081 0.000 1.100 372 Y CB 2.074 40.530 38.460 -0.008 0.000 1.192 372 Y HN 0.701 nan 8.280 nan 0.000 0.458 373 K N 3.259 123.841 120.400 0.303 0.000 2.543 373 K HA 0.524 4.584 4.320 -0.433 0.000 0.255 373 K C -1.666 175.059 176.600 0.209 0.000 0.934 373 K CA -0.675 55.776 56.287 0.274 0.000 0.810 373 K CB 1.568 34.218 32.500 0.250 0.000 1.315 373 K HN 0.692 nan 8.250 nan 0.000 0.433 374 I N 6.217 126.887 120.570 0.166 0.000 2.436 374 I HA 0.191 4.101 4.170 -0.433 0.000 0.289 374 I C 0.218 176.424 176.117 0.147 0.000 1.083 374 I CA -0.053 61.328 61.300 0.134 0.000 1.372 374 I CB 0.172 38.235 38.000 0.104 0.000 1.408 374 I HN 0.439 nan 8.210 nan 0.000 0.516 375 I N 1.553 122.235 120.570 0.187 0.000 3.145 375 I HA 0.560 4.470 4.170 -0.433 0.000 0.313 375 I C -0.218 176.020 176.117 0.201 0.000 1.122 375 I CA -0.881 60.533 61.300 0.190 0.000 0.987 375 I CB 1.982 40.123 38.000 0.236 0.000 1.236 375 I HN 0.193 nan 8.210 nan 0.000 0.453 376 S N 2.400 118.176 115.700 0.126 0.000 2.531 376 S HA 0.197 4.408 4.470 -0.433 0.000 0.279 376 S C -0.022 174.643 174.600 0.109 0.000 1.305 376 S CA -0.640 57.593 58.200 0.056 0.000 1.058 376 S CB -0.275 62.911 63.200 -0.024 0.000 0.899 376 S HN 0.837 nan 8.310 nan 0.000 0.493 377 N N 2.397 121.071 118.700 -0.043 0.000 2.431 377 N HA 0.208 4.688 4.740 -0.433 0.000 0.289 377 N C 0.374 175.771 175.510 -0.188 0.000 1.277 377 N CA -0.715 52.132 53.050 -0.340 0.000 0.972 377 N CB 0.438 38.373 38.487 -0.919 0.000 1.143 377 N HN 0.384 nan 8.380 nan 0.000 0.578 378 E N -0.222 119.832 120.200 -0.243 0.000 2.153 378 E HA -0.155 3.935 4.350 -0.433 0.000 0.194 378 E C 0.997 177.544 176.600 -0.089 0.000 0.988 378 E CA 1.341 57.666 56.400 -0.126 0.000 0.811 378 E CB -0.047 29.579 29.700 -0.124 0.000 0.746 378 E HN 0.615 nan 8.360 nan 0.000 0.466 379 E N -0.742 119.411 120.200 -0.078 0.000 2.502 379 E HA 0.117 4.208 4.350 -0.433 0.000 0.194 379 E C 0.771 177.384 176.600 0.022 0.000 1.062 379 E CA 0.381 56.802 56.400 0.034 0.000 0.867 379 E CB 0.406 30.174 29.700 0.114 0.000 0.888 379 E HN 0.290 nan 8.360 nan 0.000 0.510 380 G N 0.750 109.498 108.800 -0.086 0.000 2.160 380 G HA2 -0.293 3.407 3.960 -0.433 0.000 0.244 380 G HA3 -0.293 3.407 3.960 -0.433 0.000 0.244 380 G C -0.602 174.041 174.900 -0.427 0.000 1.022 380 G CA -0.136 44.817 45.100 -0.244 0.000 0.741 380 G HN 0.242 nan 8.290 nan 0.000 0.508 381 Y N -0.081 120.128 120.300 -0.152 0.000 2.377 381 Y HA 0.530 4.820 4.550 -0.432 0.000 0.339 381 Y C 0.847 176.617 175.900 -0.217 0.000 1.011 381 Y CA -0.950 57.040 58.100 -0.183 0.000 1.093 381 Y CB 1.408 39.783 38.460 -0.141 0.000 1.201 381 Y HN -0.017 nan 8.280 nan 0.000 0.455 382 K N 4.593 124.872 120.400 -0.201 0.000 2.316 382 K HA 0.247 4.307 4.320 -0.433 0.000 0.289 382 K C -0.823 175.525 176.600 -0.419 0.000 1.070 382 K CA -0.115 56.060 56.287 -0.186 0.000 0.928 382 K CB 0.216 32.648 32.500 -0.114 0.000 1.039 382 K HN 0.676 nan 8.250 nan 0.000 0.480 383 H N 1.509 120.574 119.070 -0.007 0.000 2.946 383 H HA 0.323 4.620 4.556 -0.432 0.000 0.365 383 H C -0.109 175.253 175.328 0.058 0.000 1.197 383 H CA -0.926 55.089 56.048 -0.055 0.000 1.131 383 H CB 1.492 31.154 29.762 -0.167 0.000 1.849 383 H HN 0.354 nan 8.280 nan 0.000 0.555 384 I N 1.465 122.084 120.570 0.082 0.000 2.452 384 I HA -0.001 3.909 4.170 -0.433 0.000 0.287 384 I C 0.482 176.590 176.117 -0.016 0.000 1.079 384 I CA 0.279 61.583 61.300 0.006 0.000 1.387 384 I CB 0.136 38.045 38.000 -0.151 0.000 1.404 384 I HN 0.146 nan 8.210 nan 0.000 0.522 385 c N 6.694 125.228 118.600 -0.110 0.000 2.376 385 c HA 0.294 4.605 4.570 -0.433 0.000 0.335 385 c C 0.159 174.031 174.090 -0.363 0.000 1.229 385 c CA -0.444 55.588 56.329 -0.496 0.000 1.867 385 c CB 0.590 42.531 42.510 -0.948 0.000 2.319 385 c HN 0.749 nan 8.230 nan 0.000 0.515 386 H N 4.097 122.784 119.070 -0.637 0.000 2.690 386 H HA 0.416 4.712 4.556 -0.433 0.000 0.289 386 H C -1.145 173.669 175.328 -0.858 0.000 1.089 386 H CA -0.350 55.266 56.048 -0.719 0.000 1.299 386 H CB 0.285 29.739 29.762 -0.512 0.000 1.405 386 H HN 0.582 nan 8.280 nan 0.000 0.463 387 F N 2.915 122.273 119.950 -0.988 0.000 2.399 387 F HA 0.144 4.412 4.527 -0.433 0.000 0.334 387 F C 0.473 175.651 175.800 -1.038 0.000 1.097 387 F CA -0.659 56.648 58.000 -1.157 0.000 1.076 387 F CB 1.694 39.538 39.000 -1.927 0.000 1.162 387 F HN 0.550 nan 8.300 nan 0.000 0.495 388 Q N 0.773 120.287 119.800 -0.477 0.000 2.235 388 Q HA 0.256 4.337 4.340 -0.433 0.000 0.250 388 Q C 0.897 176.925 176.000 0.047 0.000 0.909 388 Q CA 0.005 55.672 55.803 -0.226 0.000 0.910 388 Q CB 1.694 30.336 28.738 -0.160 0.000 1.223 388 Q HN 0.782 nan 8.270 nan 0.000 0.432 389 T N 1.459 116.133 114.554 0.200 0.000 2.788 389 T HA -0.138 3.952 4.350 -0.433 0.000 0.268 389 T C 0.210 175.163 174.700 0.422 0.000 1.044 389 T CA 1.714 64.078 62.100 0.441 0.000 1.139 389 T CB -0.090 69.022 68.868 0.406 0.000 0.867 389 T HN 0.782 nan 8.240 nan 0.000 0.454 390 D N 0.086 120.626 120.400 0.232 0.000 2.501 390 D HA 0.138 4.518 4.640 -0.433 0.000 0.226 390 D C 0.096 176.449 176.300 0.089 0.000 1.198 390 D CA -0.268 53.813 54.000 0.134 0.000 0.830 390 D CB 0.190 41.041 40.800 0.085 0.000 1.014 390 D HN 0.135 nan 8.370 nan 0.000 0.496 391 K N -0.129 120.358 120.400 0.145 0.000 2.426 391 K HA 0.303 4.363 4.320 -0.433 0.000 0.251 391 K C 0.524 177.215 176.600 0.152 0.000 0.941 391 K CA -0.495 55.840 56.287 0.079 0.000 0.808 391 K CB 2.117 34.621 32.500 0.007 0.000 1.265 391 K HN -0.019 nan 8.250 nan 0.000 0.432 392 S N 0.012 115.757 115.700 0.076 0.000 2.501 392 S HA -0.069 4.141 4.470 -0.433 0.000 0.220 392 S C 0.421 175.078 174.600 0.096 0.000 0.997 392 S CA 0.008 58.280 58.200 0.120 0.000 0.919 392 S CB -0.480 62.743 63.200 0.039 0.000 0.778 392 S HN 0.719 nan 8.310 nan 0.000 0.523 393 N N 0.967 119.652 118.700 -0.026 0.000 2.473 393 N HA 0.538 5.019 4.740 -0.433 0.000 0.291 393 N C -0.273 175.023 175.510 -0.357 0.000 1.083 393 N CA -0.692 52.269 53.050 -0.148 0.000 0.951 393 N CB 1.376 39.790 38.487 -0.122 0.000 1.164 393 N HN 0.428 nan 8.380 nan 0.000 0.480 394 c N -0.040 118.198 118.600 -0.603 0.000 2.595 394 c HA 0.768 5.078 4.570 -0.433 0.000 0.338 394 c C -0.248 173.422 174.090 -0.700 0.000 1.219 394 c CA -0.631 55.118 56.329 -0.966 0.000 1.811 394 c CB 1.029 42.305 42.510 -2.056 0.000 2.313 394 c HN 0.735 nan 8.230 nan 0.000 0.499 395 T N 2.296 116.479 114.554 -0.619 0.000 2.770 395 T HA 0.485 4.575 4.350 -0.433 0.000 0.283 395 T C -0.671 173.783 174.700 -0.410 0.000 0.988 395 T CA 0.117 62.005 62.100 -0.354 0.000 0.957 395 T CB 0.363 69.164 68.868 -0.112 0.000 0.930 395 T HN 0.499 nan 8.240 nan 0.000 0.443 396 F N 3.131 122.941 119.950 -0.233 0.000 2.504 396 F HA 0.244 4.511 4.527 -0.433 0.000 0.369 396 F C 1.643 177.254 175.800 -0.315 0.000 1.082 396 F CA -0.776 57.074 58.000 -0.250 0.000 1.216 396 F CB 0.366 39.230 39.000 -0.228 0.000 1.108 396 F HN 0.600 nan 8.300 nan 0.000 0.554 397 I N -0.588 119.829 120.570 -0.256 0.000 3.941 397 I HA 0.204 4.114 4.170 -0.433 0.000 0.321 397 I C 0.254 176.203 176.117 -0.281 0.000 1.284 397 I CA 0.154 61.124 61.300 -0.550 0.000 1.226 397 I CB 0.083 37.541 38.000 -0.904 0.000 1.045 397 I HN 0.484 nan 8.210 nan 0.000 0.420 398 T N 0.444 114.884 114.554 -0.190 0.000 2.906 398 T HA 0.706 4.796 4.350 -0.433 0.000 0.295 398 T C -0.668 173.691 174.700 -0.568 0.000 1.061 398 T CA -0.721 61.258 62.100 -0.201 0.000 1.000 398 T CB 2.549 71.369 68.868 -0.080 0.000 1.103 398 T HN 0.336 nan 8.240 nan 0.000 0.486 399 K N 0.164 120.082 120.400 -0.804 0.000 2.575 399 K HA 0.817 4.878 4.320 -0.433 0.000 0.279 399 K C -0.462 175.512 176.600 -1.043 0.000 0.969 399 K CA -0.540 54.972 56.287 -1.292 0.000 0.868 399 K CB 1.499 33.586 32.500 -0.690 0.000 1.457 399 K HN 1.682 nan 8.250 nan 0.000 0.426 400 G N -0.584 107.601 108.800 -1.026 0.000 2.359 400 G HA2 0.390 4.090 3.960 -0.433 0.000 0.314 400 G HA3 0.390 4.090 3.960 -0.433 0.000 0.314 400 G C -1.231 173.155 174.900 -0.857 0.000 1.364 400 G CA -0.280 44.393 45.100 -0.712 0.000 0.978 400 G HN 0.906 nan 8.290 nan 0.000 0.615 401 A N 0.837 123.310 122.820 -0.580 0.000 3.074 401 A HA 0.601 4.661 4.320 -0.433 0.000 0.251 401 A C 0.305 177.769 177.584 -0.200 0.000 1.695 401 A CA 0.704 52.282 52.037 -0.765 0.000 1.343 401 A CB -1.282 17.515 19.000 -0.338 0.000 1.078 401 A HN 1.681 nan 8.150 nan 0.000 0.644 402 W N -1.075 120.110 121.300 -0.192 0.000 2.937 402 W HA 0.619 5.019 4.660 -0.433 0.000 0.360 402 W C -1.238 175.288 176.519 0.011 0.000 1.215 402 W CA -0.795 56.567 57.345 0.028 0.000 1.183 402 W CB 0.445 29.913 29.460 0.014 0.000 1.458 402 W HN 0.174 nan 8.180 nan 0.000 0.574 403 E N 1.129 121.535 120.200 0.344 0.000 2.248 403 E HA 0.406 4.496 4.350 -0.433 0.000 0.267 403 E C -0.961 175.788 176.600 0.248 0.000 0.877 403 E CA -1.137 55.285 56.400 0.037 0.000 0.759 403 E CB 3.452 33.209 29.700 0.095 0.000 1.182 403 E HN 0.179 nan 8.360 nan 0.000 0.418 404 V N 4.634 124.583 119.914 0.058 0.000 2.470 404 V HA -0.023 3.837 4.120 -0.433 0.000 0.276 404 V C 1.473 177.687 176.094 0.200 0.000 1.040 404 V CA 0.046 62.478 62.300 0.220 0.000 1.008 404 V CB 0.272 32.136 31.823 0.067 0.000 0.990 404 V HN 0.690 nan 8.190 nan 0.000 0.477 405 I N 3.395 124.116 120.570 0.253 0.000 2.235 405 I HA 0.198 4.108 4.170 -0.433 0.000 0.241 405 I C 1.140 177.393 176.117 0.226 0.000 1.085 405 I CA 1.367 62.816 61.300 0.248 0.000 1.378 405 I CB -0.965 37.136 38.000 0.169 0.000 1.076 405 I HN 0.747 nan 8.210 nan 0.000 0.415 406 G N 0.555 109.482 108.800 0.212 0.000 2.667 406 G HA2 0.543 4.244 3.960 -0.433 0.000 0.294 406 G HA3 0.543 4.244 3.960 -0.433 0.000 0.294 406 G C -1.298 173.688 174.900 0.143 0.000 1.467 406 G CA -0.603 44.607 45.100 0.183 0.000 0.852 406 G HN -0.014 nan 8.290 nan 0.000 0.521 407 I N 1.532 122.102 120.570 0.000 0.000 2.416 407 I HA 0.243 4.153 4.170 -0.433 0.000 0.288 407 I C 1.037 177.064 176.117 -0.151 0.000 1.051 407 I CA -0.392 60.789 61.300 -0.197 0.000 1.375 407 I CB 1.657 39.253 38.000 -0.674 0.000 1.407 407 I HN 0.454 nan 8.210 nan 0.000 0.516 408 E N 4.484 124.661 120.200 -0.039 0.000 2.162 408 E HA 0.321 4.412 4.350 -0.433 0.000 0.193 408 E C 0.138 176.673 176.600 -0.110 0.000 0.953 408 E CA 0.392 56.803 56.400 0.018 0.000 0.849 408 E CB 0.658 30.417 29.700 0.098 0.000 0.810 408 E HN 0.723 nan 8.360 nan 0.000 0.470 409 A N 0.042 122.697 122.820 -0.276 0.000 2.609 409 A HA 0.684 4.744 4.320 -0.433 0.000 0.291 409 A C -1.890 175.633 177.584 -0.102 0.000 1.096 409 A CA -0.578 51.268 52.037 -0.319 0.000 0.684 409 A CB 1.418 19.800 19.000 -1.029 0.000 1.282 409 A HN 0.047 nan 8.150 nan 0.000 0.412 410 L N 0.818 122.033 121.223 -0.014 0.000 2.562 410 L HA 0.683 4.764 4.340 -0.433 0.000 0.266 410 L C 0.038 176.955 176.870 0.078 0.000 0.949 410 L CA 0.376 55.233 54.840 0.029 0.000 0.879 410 L CB 2.000 44.085 42.059 0.044 0.000 1.278 410 L HN 1.157 nan 8.230 nan 0.000 0.404 411 T N -0.229 114.380 114.554 0.092 0.000 2.876 411 T HA 0.430 4.520 4.350 -0.433 0.000 0.277 411 T C 1.059 175.787 174.700 0.047 0.000 0.997 411 T CA 0.045 62.203 62.100 0.097 0.000 0.966 411 T CB 1.050 70.010 68.868 0.153 0.000 1.312 411 T HN 0.643 nan 8.240 nan 0.000 0.598 412 S N -0.639 115.082 115.700 0.034 0.000 2.489 412 S HA -0.013 4.198 4.470 -0.433 0.000 0.228 412 S C 0.795 175.345 174.600 -0.083 0.000 0.995 412 S CA 0.530 58.734 58.200 0.007 0.000 0.934 412 S CB -0.387 62.825 63.200 0.021 0.000 0.771 412 S HN 0.675 nan 8.310 nan 0.000 0.522 413 D N -0.408 119.887 120.400 -0.174 0.000 2.431 413 D HA 0.245 4.625 4.640 -0.433 0.000 0.227 413 D C -0.314 175.599 176.300 -0.645 0.000 1.030 413 D CA 0.588 54.312 54.000 -0.460 0.000 0.897 413 D CB 0.248 40.651 40.800 -0.662 0.000 1.058 413 D HN 0.445 nan 8.370 nan 0.000 0.500 414 Y N -0.016 120.217 120.300 -0.112 0.000 2.570 414 Y HA 0.474 4.764 4.550 -0.433 0.000 0.345 414 Y C -0.388 175.319 175.900 -0.322 0.000 1.014 414 Y CA -1.304 56.642 58.100 -0.257 0.000 1.063 414 Y CB 2.320 40.543 38.460 -0.394 0.000 1.272 414 Y HN -0.254 nan 8.280 nan 0.000 0.477 415 L N 2.592 123.661 121.223 -0.256 0.000 2.381 415 L HA 0.528 4.608 4.340 -0.433 0.000 0.274 415 L C -2.027 174.646 176.870 -0.327 0.000 0.988 415 L CA -1.193 53.475 54.840 -0.287 0.000 0.824 415 L CB 0.806 42.635 42.059 -0.384 0.000 1.263 415 L HN 0.639 nan 8.230 nan 0.000 0.410 416 Y N 5.813 126.005 120.300 -0.181 0.000 2.341 416 Y HA 0.599 4.889 4.550 -0.433 0.000 0.337 416 Y C -0.225 175.637 175.900 -0.063 0.000 1.014 416 Y CA -0.367 57.604 58.100 -0.214 0.000 1.111 416 Y CB 1.483 39.609 38.460 -0.557 0.000 1.194 416 Y HN 0.580 nan 8.280 nan 0.000 0.462 417 Y N 0.797 121.121 120.300 0.038 0.000 2.625 417 Y HA 0.785 5.075 4.550 -0.433 0.000 0.338 417 Y C -1.814 174.164 175.900 0.131 0.000 1.123 417 Y CA -1.752 56.378 58.100 0.050 0.000 1.046 417 Y CB 1.199 39.672 38.460 0.021 0.000 1.299 417 Y HN 0.294 nan 8.280 nan 0.000 0.464 418 I N 3.204 123.924 120.570 0.249 0.000 2.412 418 I HA 0.587 4.497 4.170 -0.433 0.000 0.296 418 I C -0.155 176.141 176.117 0.298 0.000 0.987 418 I CA -0.291 61.115 61.300 0.177 0.000 1.180 418 I CB 1.552 39.626 38.000 0.123 0.000 1.340 418 I HN 0.889 nan 8.210 nan 0.000 0.455 419 S N 4.065 119.909 115.700 0.240 0.000 2.638 419 S HA 0.451 4.662 4.470 -0.433 0.000 0.274 419 S C -0.364 174.295 174.600 0.098 0.000 1.157 419 S CA -0.787 57.544 58.200 0.219 0.000 0.826 419 S CB 1.946 65.274 63.200 0.214 0.000 1.139 419 S HN 0.596 nan 8.310 nan 0.000 0.474 420 N N -0.164 118.591 118.700 0.092 0.000 2.321 420 N HA 0.150 4.630 4.740 -0.433 0.000 0.242 420 N C 0.574 176.058 175.510 -0.043 0.000 1.141 420 N CA -0.252 52.813 53.050 0.025 0.000 0.864 420 N CB 0.221 38.730 38.487 0.036 0.000 1.100 420 N HN 0.820 nan 8.380 nan 0.000 0.510 421 E N 0.326 120.333 120.200 -0.322 0.000 2.051 421 E HA -0.229 3.862 4.350 -0.433 0.000 0.192 421 E C -0.175 176.258 176.600 -0.279 0.000 0.991 421 E CA 0.522 56.465 56.400 -0.761 0.000 0.799 421 E CB -0.146 28.528 29.700 -1.710 0.000 0.748 421 E HN 0.514 nan 8.360 nan 0.000 0.449 422 H N 0.652 119.634 119.070 -0.146 0.000 3.125 422 H HA -0.045 4.251 4.556 -0.433 0.000 0.310 422 H C 0.227 175.530 175.328 -0.042 0.000 0.980 422 H CA 1.290 57.306 56.048 -0.054 0.000 1.422 422 H CB 0.317 30.073 29.762 -0.012 0.000 1.432 422 H HN 0.104 nan 8.280 nan 0.000 0.577 423 K N 2.867 123.024 120.400 -0.406 0.000 3.363 423 K HA -0.228 3.832 4.320 -0.433 0.000 0.313 423 K C 0.991 177.574 176.600 -0.027 0.000 1.259 423 K CA 1.227 57.377 56.287 -0.228 0.000 0.942 423 K CB -1.371 31.014 32.500 -0.190 0.000 1.229 423 K HN 1.114 nan 8.250 nan 0.000 0.440 424 G N 0.466 109.255 108.800 -0.018 0.000 2.203 424 G HA2 -0.354 3.347 3.960 -0.433 0.000 0.263 424 G HA3 -0.354 3.347 3.960 -0.433 0.000 0.263 424 G C 0.023 174.987 174.900 0.107 0.000 1.012 424 G CA 0.849 45.997 45.100 0.081 0.000 0.749 424 G HN 0.524 nan 8.290 nan 0.000 0.512 425 M N -1.087 118.478 119.600 -0.058 0.000 2.061 425 M HA 0.522 4.743 4.480 -0.433 0.000 0.346 425 M C -1.430 174.635 176.300 -0.391 0.000 1.112 425 M CA -2.305 52.737 55.300 -0.429 0.000 1.021 425 M CB 1.888 34.144 32.600 -0.574 0.000 1.530 425 M HN -0.097 nan 8.290 nan 0.000 0.437 426 P HA -0.028 nan 4.420 nan 0.000 0.226 426 P C 1.143 178.325 177.300 -0.197 0.000 1.153 426 P CA 1.296 64.289 63.100 -0.178 0.000 0.777 426 P CB -0.048 31.620 31.700 -0.053 0.000 0.794 427 G N -0.449 108.157 108.800 -0.324 0.000 3.262 427 G HA2 0.302 4.003 3.960 -0.433 0.000 0.228 427 G HA3 0.302 4.003 3.960 -0.433 0.000 0.228 427 G C 0.601 175.506 174.900 0.007 0.000 1.197 427 G CA 0.071 45.091 45.100 -0.133 0.000 0.819 427 G HN 0.438 nan 8.290 nan 0.000 0.531 428 G N -0.294 108.457 108.800 -0.081 0.000 2.498 428 G HA2 0.672 4.373 3.960 -0.433 0.000 0.312 428 G HA3 0.672 4.373 3.960 -0.433 0.000 0.312 428 G C -0.943 173.845 174.900 -0.187 0.000 1.230 428 G CA -0.852 44.225 45.100 -0.039 0.000 0.968 428 G HN 0.103 nan 8.290 nan 0.000 0.481 429 R N 1.173 121.515 120.500 -0.263 0.000 2.574 429 R HA 0.452 4.533 4.340 -0.433 0.000 0.288 429 R C -1.327 174.931 176.300 -0.069 0.000 1.004 429 R CA -0.844 55.092 56.100 -0.275 0.000 0.895 429 R CB 2.313 32.235 30.300 -0.630 0.000 1.191 429 R HN 0.589 nan 8.270 nan 0.000 0.444 430 N N 1.670 120.347 118.700 -0.039 0.000 2.242 430 N HA 0.306 4.786 4.740 -0.433 0.000 0.292 430 N C -1.292 174.057 175.510 -0.269 0.000 1.125 430 N CA -0.828 52.103 53.050 -0.198 0.000 0.783 430 N CB 2.752 40.999 38.487 -0.398 0.000 1.558 430 N HN 0.248 nan 8.380 nan 0.000 0.472 431 L N 2.297 123.239 121.223 -0.469 0.000 2.290 431 L HA 0.414 4.494 4.340 -0.433 0.000 0.284 431 L C -1.348 175.119 176.870 -0.672 0.000 1.078 431 L CA 0.110 54.703 54.840 -0.411 0.000 0.815 431 L CB -0.188 41.653 42.059 -0.363 0.000 1.162 431 L HN 0.408 nan 8.230 nan 0.000 0.435 432 Y N 4.263 124.216 120.300 -0.577 0.000 2.499 432 Y HA 0.608 4.898 4.550 -0.433 0.000 0.347 432 Y C -0.159 175.404 175.900 -0.562 0.000 0.987 432 Y CA -0.771 56.931 58.100 -0.662 0.000 1.044 432 Y CB 1.621 39.465 38.460 -1.028 0.000 1.245 432 Y HN 0.473 nan 8.280 nan 0.000 0.461 433 R N 3.798 124.156 120.500 -0.238 0.000 2.409 433 R HA 0.574 4.654 4.340 -0.433 0.000 0.313 433 R C -1.803 174.423 176.300 -0.124 0.000 0.953 433 R CA -0.624 55.267 56.100 -0.350 0.000 0.849 433 R CB 1.036 31.015 30.300 -0.536 0.000 1.171 433 R HN 0.894 nan 8.270 nan 0.000 0.458 434 I N 3.201 123.756 120.570 -0.025 0.000 2.354 434 I HA 0.237 4.148 4.170 -0.433 0.000 0.292 434 I C -0.342 175.835 176.117 0.100 0.000 0.989 434 I CA -0.568 60.791 61.300 0.098 0.000 1.188 434 I CB 1.667 39.767 38.000 0.167 0.000 1.342 434 I HN 0.647 nan 8.210 nan 0.000 0.457 435 Q N 4.695 124.587 119.800 0.152 0.000 2.311 435 Q HA 0.089 4.169 4.340 -0.433 0.000 0.272 435 Q C 0.440 176.464 176.000 0.040 0.000 1.012 435 Q CA -0.414 55.439 55.803 0.084 0.000 0.891 435 Q CB 1.289 30.068 28.738 0.069 0.000 1.201 435 Q HN 0.708 nan 8.270 nan 0.000 0.391 436 L N 3.520 124.699 121.223 -0.074 0.000 2.109 436 L HA -0.169 3.911 4.340 -0.433 0.000 0.207 436 L C 1.765 178.556 176.870 -0.131 0.000 1.086 436 L CA 1.670 56.500 54.840 -0.016 0.000 0.760 436 L CB -0.903 41.110 42.059 -0.077 0.000 0.910 436 L HN 0.732 nan 8.230 nan 0.000 0.437 437 N N -1.730 116.866 118.700 -0.174 0.000 2.446 437 N HA -0.083 4.397 4.740 -0.433 0.000 0.179 437 N C -0.037 175.317 175.510 -0.259 0.000 1.054 437 N CA 0.533 53.457 53.050 -0.209 0.000 0.905 437 N CB -0.073 38.327 38.487 -0.145 0.000 0.973 437 N HN 0.184 nan 8.380 nan 0.000 0.448 438 D N -0.877 119.400 120.400 -0.204 0.000 2.336 438 D HA 0.137 4.517 4.640 -0.433 0.000 0.248 438 D C -0.516 175.780 176.300 -0.006 0.000 1.326 438 D CA -0.700 53.214 54.000 -0.143 0.000 0.973 438 D CB 0.081 40.844 40.800 -0.061 0.000 1.255 438 D HN -0.087 nan 8.370 nan 0.000 0.558 439 Y N 1.314 121.616 120.300 0.003 0.000 2.569 439 Y HA -0.075 4.216 4.550 -0.432 0.000 0.293 439 Y C 2.265 178.181 175.900 0.026 0.000 1.144 439 Y CA 0.888 58.996 58.100 0.012 0.000 1.321 439 Y CB -0.716 37.752 38.460 0.013 0.000 0.982 439 Y HN 0.354 nan 8.280 nan 0.000 0.558 440 T N -1.154 113.494 114.554 0.156 0.000 2.896 440 T HA -0.075 4.015 4.350 -0.433 0.000 0.263 440 T C 1.034 175.791 174.700 0.096 0.000 1.050 440 T CA 0.496 62.659 62.100 0.106 0.000 1.140 440 T CB -0.007 68.900 68.868 0.064 0.000 0.877 440 T HN 0.010 nan 8.240 nan 0.000 0.457 441 K N 2.767 123.220 120.400 0.089 0.000 2.166 441 K HA 0.292 4.353 4.320 -0.433 0.000 0.273 441 K C -1.007 175.652 176.600 0.100 0.000 1.095 441 K CA 0.048 56.384 56.287 0.081 0.000 0.985 441 K CB 0.198 32.742 32.500 0.073 0.000 1.172 441 K HN 0.113 nan 8.250 nan 0.000 0.401 442 V N 3.337 123.308 119.914 0.095 0.000 2.443 442 V HA 0.326 4.187 4.120 -0.433 0.000 0.293 442 V C -0.766 175.375 176.094 0.078 0.000 1.021 442 V CA -0.339 62.026 62.300 0.107 0.000 0.848 442 V CB 1.922 33.844 31.823 0.165 0.000 0.998 442 V HN 0.597 nan 8.190 nan 0.000 0.424 443 T N 5.732 120.298 114.554 0.020 0.000 2.859 443 T HA 0.340 4.430 4.350 -0.433 0.000 0.281 443 T C -0.479 174.150 174.700 -0.119 0.000 1.005 443 T CA -0.291 61.785 62.100 -0.040 0.000 1.025 443 T CB 1.291 70.110 68.868 -0.082 0.000 0.977 443 T HN 0.817 nan 8.240 nan 0.000 0.458 444 C N 4.756 123.932 119.300 -0.206 0.000 2.265 444 C HA 0.449 4.649 4.460 -0.433 0.000 0.332 444 C C 1.545 176.264 174.990 -0.451 0.000 1.248 444 C CA -0.656 58.039 59.018 -0.538 0.000 1.727 444 C CB -1.969 25.390 27.740 -0.635 0.000 2.348 444 C HN 0.967 nan 8.230 nan 0.000 0.519 445 L N 4.616 125.542 121.223 -0.494 0.000 2.509 445 L HA 0.108 4.188 4.340 -0.433 0.000 0.222 445 L C 2.033 178.618 176.870 -0.474 0.000 1.123 445 L CA 0.762 55.375 54.840 -0.378 0.000 0.856 445 L CB -0.282 41.588 42.059 -0.315 0.000 0.985 445 L HN 0.842 nan 8.230 nan 0.000 0.456 446 S N -3.370 111.939 115.700 -0.652 0.000 2.649 446 S HA 0.012 4.223 4.470 -0.433 0.000 0.246 446 S C 1.746 175.958 174.600 -0.646 0.000 1.057 446 S CA -0.130 57.562 58.200 -0.847 0.000 1.051 446 S CB -0.304 62.027 63.200 -1.449 0.000 1.018 446 S HN 0.294 nan 8.310 nan 0.000 0.569 447 C N 1.930 120.862 119.300 -0.613 0.000 2.398 447 C HA 0.053 4.254 4.460 -0.433 0.000 0.276 447 C C 2.257 177.027 174.990 -0.367 0.000 1.222 447 C CA 1.418 60.045 59.018 -0.652 0.000 1.746 447 C CB -0.997 26.237 27.740 -0.844 0.000 2.039 447 C HN 0.667 nan 8.230 nan 0.000 0.470 448 E N -0.521 119.532 120.200 -0.245 0.000 2.548 448 E HA 0.240 4.330 4.350 -0.433 0.000 0.206 448 E C 1.638 178.195 176.600 -0.071 0.000 1.005 448 E CA -0.154 56.180 56.400 -0.110 0.000 0.951 448 E CB -0.008 29.646 29.700 -0.077 0.000 1.035 448 E HN 0.523 nan 8.360 nan 0.000 0.470 449 L N -0.254 120.919 121.223 -0.084 0.000 2.027 449 L HA 0.005 4.086 4.340 -0.433 0.000 0.206 449 L C 0.428 177.304 176.870 0.010 0.000 1.074 449 L CA 1.072 55.896 54.840 -0.027 0.000 0.745 449 L CB 0.075 42.125 42.059 -0.016 0.000 0.898 449 L HN 0.050 nan 8.230 nan 0.000 0.433 450 N N -1.545 117.177 118.700 0.036 0.000 2.716 450 N HA 0.112 4.592 4.740 -0.433 0.000 0.245 450 N C -2.051 173.481 175.510 0.037 0.000 1.495 450 N CA -0.641 52.428 53.050 0.030 0.000 0.759 450 N CB 1.292 39.794 38.487 0.025 0.000 1.261 450 N HN -0.125 nan 8.380 nan 0.000 0.515 451 P HA -0.198 nan 4.420 nan 0.000 0.215 451 P C 0.614 177.945 177.300 0.052 0.000 1.153 451 P CA 1.414 64.546 63.100 0.053 0.000 0.853 451 P CB 0.537 32.273 31.700 0.061 0.000 0.788 452 E N -0.449 119.770 120.200 0.031 0.000 2.076 452 E HA -0.109 3.982 4.350 -0.433 0.000 0.190 452 E C 2.408 179.012 176.600 0.006 0.000 0.979 452 E CA 0.564 56.977 56.400 0.022 0.000 0.807 452 E CB -0.202 29.506 29.700 0.012 0.000 0.761 452 E HN 0.182 nan 8.360 nan 0.000 0.454 453 R N -0.015 120.478 120.500 -0.011 0.000 2.119 453 R HA 0.014 4.094 4.340 -0.433 0.000 0.222 453 R C 0.027 176.289 176.300 -0.063 0.000 1.088 453 R CA 0.602 56.676 56.100 -0.044 0.000 0.984 453 R CB 0.310 30.574 30.300 -0.060 0.000 0.884 453 R HN 0.085 nan 8.270 nan 0.000 0.447 454 c N 0.101 118.677 118.600 -0.041 0.000 2.383 454 c HA 0.372 4.682 4.570 -0.433 0.000 0.330 454 c C 0.292 174.388 174.090 0.010 0.000 1.168 454 c CA -0.723 55.543 56.329 -0.105 0.000 1.374 454 c CB 1.561 43.967 42.510 -0.172 0.000 2.014 454 c HN 0.502 nan 8.230 nan 0.000 0.439 455 Q N 0.384 120.189 119.800 0.009 0.000 2.211 455 Q HA 0.212 4.292 4.340 -0.433 0.000 0.242 455 Q C -0.740 175.335 176.000 0.125 0.000 0.825 455 Q CA 0.244 56.104 55.803 0.096 0.000 0.951 455 Q CB 1.063 29.859 28.738 0.097 0.000 1.130 455 Q HN 0.793 nan 8.270 nan 0.000 0.496 456 Y N 0.495 120.747 120.300 -0.080 0.000 2.376 456 Y HA 0.391 4.682 4.550 -0.433 0.000 0.326 456 Y C -1.542 174.304 175.900 -0.090 0.000 0.970 456 Y CA -0.905 57.183 58.100 -0.019 0.000 1.248 456 Y CB 0.659 39.132 38.460 0.021 0.000 1.117 456 Y HN -0.098 nan 8.280 nan 0.000 0.476 457 Y N 2.721 122.987 120.300 -0.056 0.000 2.485 457 Y HA 0.577 4.868 4.550 -0.432 0.000 0.345 457 Y C -0.012 175.913 175.900 0.041 0.000 0.998 457 Y CA -0.566 57.526 58.100 -0.013 0.000 1.059 457 Y CB 2.235 40.623 38.460 -0.120 0.000 1.234 457 Y HN 0.545 nan 8.280 nan 0.000 0.461 458 S N 1.780 117.679 115.700 0.333 0.000 2.599 458 S HA 0.976 5.186 4.470 -0.433 0.000 0.287 458 S C -1.190 173.558 174.600 0.246 0.000 1.105 458 S CA -0.617 57.769 58.200 0.310 0.000 0.899 458 S CB 1.995 65.480 63.200 0.475 0.000 1.100 458 S HN 0.924 nan 8.310 nan 0.000 0.482 459 A N 0.758 123.716 122.820 0.230 0.000 2.469 459 A HA 0.893 4.954 4.320 -0.433 0.000 0.299 459 A C -0.560 177.184 177.584 0.267 0.000 1.098 459 A CA -0.744 51.409 52.037 0.193 0.000 0.737 459 A CB 1.790 20.865 19.000 0.124 0.000 1.312 459 A HN 1.391 nan 8.150 nan 0.000 0.414 460 S N 0.592 116.431 115.700 0.232 0.000 2.733 460 S HA 0.713 4.923 4.470 -0.433 0.000 0.294 460 S C -1.514 173.261 174.600 0.292 0.000 1.149 460 S CA -0.354 58.064 58.200 0.364 0.000 1.034 460 S CB 0.038 63.489 63.200 0.417 0.000 1.015 460 S HN 0.455 nan 8.310 nan 0.000 0.486 461 F N 2.926 122.930 119.950 0.089 0.000 2.432 461 F HA 0.520 4.788 4.527 -0.433 0.000 0.329 461 F C 1.347 176.708 175.800 -0.731 0.000 1.076 461 F CA -0.345 57.522 58.000 -0.222 0.000 1.018 461 F CB 1.756 40.630 39.000 -0.209 0.000 1.201 461 F HN 0.670 nan 8.300 nan 0.000 0.489 462 S N 0.996 116.068 115.700 -1.047 0.000 2.626 462 S HA 0.086 4.296 4.470 -0.433 0.000 0.257 462 S C 1.098 175.530 174.600 -0.280 0.000 1.288 462 S CA -0.625 56.892 58.200 -1.139 0.000 0.980 462 S CB 0.343 62.885 63.200 -1.095 0.000 0.975 462 S HN 0.701 nan 8.310 nan 0.000 0.577 463 N N 0.802 119.454 118.700 -0.080 0.000 2.149 463 N HA -0.072 4.408 4.740 -0.433 0.000 0.188 463 N C 0.531 176.077 175.510 0.061 0.000 1.019 463 N CA 1.041 54.123 53.050 0.053 0.000 0.857 463 N CB -0.077 38.475 38.487 0.110 0.000 0.997 463 N HN 0.523 nan 8.380 nan 0.000 0.426 464 K N 0.297 120.727 120.400 0.049 0.000 2.618 464 K HA 0.264 4.325 4.320 -0.433 0.000 0.207 464 K C 0.019 176.649 176.600 0.050 0.000 1.058 464 K CA -0.208 56.118 56.287 0.065 0.000 1.086 464 K CB 1.092 33.641 32.500 0.081 0.000 0.827 464 K HN 0.078 nan 8.250 nan 0.000 0.481 465 A N 1.316 124.153 122.820 0.029 0.000 2.832 465 A HA -0.282 3.779 4.320 -0.433 0.000 0.280 465 A C 1.167 178.782 177.584 0.051 0.000 1.464 465 A CA 1.558 53.639 52.037 0.074 0.000 0.804 465 A CB -1.814 17.151 19.000 -0.057 0.000 1.020 465 A HN 0.453 nan 8.150 nan 0.000 0.563 466 K N -2.166 118.205 120.400 -0.048 0.000 2.243 466 K HA 0.215 4.276 4.320 -0.433 0.000 0.201 466 K C 0.003 176.267 176.600 -0.559 0.000 1.051 466 K CA 1.248 57.391 56.287 -0.241 0.000 0.970 466 K CB 0.134 32.510 32.500 -0.207 0.000 0.755 466 K HN 0.717 nan 8.250 nan 0.000 0.465 467 Y N -0.866 119.354 120.300 -0.133 0.000 2.553 467 Y HA 0.326 4.616 4.550 -0.433 0.000 0.347 467 Y C -0.988 174.714 175.900 -0.329 0.000 1.019 467 Y CA -1.631 56.354 58.100 -0.192 0.000 1.032 467 Y CB 1.644 40.041 38.460 -0.106 0.000 1.284 467 Y HN -0.082 nan 8.280 nan 0.000 0.466 468 Y N -0.751 119.410 120.300 -0.231 0.000 2.470 468 Y HA 0.519 4.809 4.550 -0.433 0.000 0.341 468 Y C -1.076 174.766 175.900 -0.096 0.000 1.021 468 Y CA -1.466 56.323 58.100 -0.519 0.000 1.025 468 Y CB 1.426 38.936 38.460 -1.583 0.000 1.266 468 Y HN 0.616 nan 8.280 nan 0.000 0.448 469 Q N 3.992 123.883 119.800 0.152 0.000 2.267 469 Q HA 0.505 4.585 4.340 -0.433 0.000 0.255 469 Q C -1.623 174.447 176.000 0.117 0.000 0.923 469 Q CA -0.602 55.260 55.803 0.097 0.000 0.925 469 Q CB 1.141 29.922 28.738 0.073 0.000 1.195 469 Q HN 0.974 nan 8.270 nan 0.000 0.417 470 L N 4.013 125.304 121.223 0.113 0.000 2.309 470 L HA 0.498 4.578 4.340 -0.433 0.000 0.282 470 L C -0.576 176.312 176.870 0.030 0.000 1.036 470 L CA -0.710 54.204 54.840 0.124 0.000 0.806 470 L CB 1.386 43.507 42.059 0.102 0.000 1.220 470 L HN 0.614 nan 8.230 nan 0.000 0.429 471 R N 2.240 122.716 120.500 -0.040 0.000 2.310 471 R HA 0.284 4.364 4.340 -0.433 0.000 0.316 471 R C -0.954 174.842 176.300 -0.840 0.000 1.004 471 R CA -0.283 55.483 56.100 -0.557 0.000 0.900 471 R CB 1.250 31.302 30.300 -0.414 0.000 1.152 471 R HN 0.522 nan 8.270 nan 0.000 0.513 472 c N 4.029 122.024 118.600 -1.008 0.000 2.415 472 c HA 0.413 4.724 4.570 -0.433 0.000 0.369 472 c C 0.471 174.033 174.090 -0.880 0.000 1.279 472 c CA -0.335 55.387 56.329 -1.012 0.000 1.886 472 c CB -0.712 41.322 42.510 -0.794 0.000 2.468 472 c HN 0.968 nan 8.230 nan 0.000 0.553 473 F N 3.754 123.555 119.950 -0.248 0.000 2.728 473 F HA 0.445 4.713 4.527 -0.432 0.000 0.314 473 F C 1.367 177.136 175.800 -0.052 0.000 1.094 473 F CA 0.643 58.589 58.000 -0.091 0.000 1.217 473 F CB 0.477 39.471 39.000 -0.010 0.000 1.056 473 F HN 0.953 nan 8.300 nan 0.000 0.577 474 G N -0.102 108.724 108.800 0.043 0.000 2.341 474 G HA2 0.146 3.846 3.960 -0.433 0.000 0.293 474 G HA3 0.146 3.846 3.960 -0.433 0.000 0.293 474 G C -2.687 172.221 174.900 0.014 0.000 1.298 474 G CA -0.732 44.401 45.100 0.055 0.000 0.868 474 G HN -0.311 nan 8.290 nan 0.000 0.540 475 P HA 0.174 nan 4.420 nan 0.000 0.236 475 P C 1.380 178.722 177.300 0.070 0.000 1.177 475 P CA 1.312 64.454 63.100 0.071 0.000 0.773 475 P CB 0.265 31.996 31.700 0.053 0.000 0.878 476 G N -0.034 108.741 108.800 -0.041 0.000 2.553 476 G HA2 0.324 4.024 3.960 -0.433 0.000 0.278 476 G HA3 0.324 4.024 3.960 -0.433 0.000 0.278 476 G C -0.425 174.260 174.900 -0.360 0.000 1.349 476 G CA -0.688 44.313 45.100 -0.163 0.000 1.037 476 G HN 0.014 nan 8.290 nan 0.000 0.508 477 L N 1.353 122.276 121.223 -0.501 0.000 2.499 477 L HA 0.113 4.193 4.340 -0.433 0.000 0.273 477 L C -1.827 174.866 176.870 -0.295 0.000 1.195 477 L CA -1.186 53.302 54.840 -0.586 0.000 0.882 477 L CB 0.363 42.174 42.059 -0.413 0.000 1.133 477 L HN 0.237 nan 8.230 nan 0.000 0.483 478 P HA -0.066 nan 4.420 nan 0.000 0.261 478 P C -0.762 176.424 177.300 -0.189 0.000 1.165 478 P CA 0.265 63.266 63.100 -0.165 0.000 0.759 478 P CB 0.402 32.155 31.700 0.087 0.000 0.772 479 L N 5.687 126.671 121.223 -0.399 0.000 2.376 479 L HA 0.482 4.563 4.340 -0.433 0.000 0.275 479 L C -1.686 174.926 176.870 -0.430 0.000 0.987 479 L CA -0.651 54.030 54.840 -0.265 0.000 0.828 479 L CB 0.998 42.943 42.059 -0.190 0.000 1.249 479 L HN 0.192 nan 8.230 nan 0.000 0.409 480 Y N 3.001 123.209 120.300 -0.154 0.000 2.328 480 Y HA 0.709 4.999 4.550 -0.433 0.000 0.337 480 Y C 0.421 176.181 175.900 -0.233 0.000 0.966 480 Y CA -0.497 57.495 58.100 -0.181 0.000 1.136 480 Y CB 1.925 40.283 38.460 -0.171 0.000 1.170 480 Y HN 0.681 nan 8.280 nan 0.000 0.470 481 T N 1.108 115.623 114.554 -0.064 0.000 2.906 481 T HA 0.721 4.811 4.350 -0.433 0.000 0.295 481 T C -1.317 173.305 174.700 -0.130 0.000 1.061 481 T CA -0.893 61.131 62.100 -0.125 0.000 1.000 481 T CB 2.028 70.877 68.868 -0.032 0.000 1.103 481 T HN 0.429 nan 8.240 nan 0.000 0.486 482 L N 1.470 122.531 121.223 -0.270 0.000 2.334 482 L HA 0.742 4.823 4.340 -0.433 0.000 0.276 482 L C -1.120 175.505 176.870 -0.408 0.000 1.014 482 L CA -0.305 54.399 54.840 -0.226 0.000 0.815 482 L CB 1.469 43.405 42.059 -0.205 0.000 1.268 482 L HN 0.875 nan 8.230 nan 0.000 0.428 483 H N 0.914 119.732 119.070 -0.420 0.000 2.865 483 H HA 0.562 4.858 4.556 -0.433 0.000 0.372 483 H C -1.016 174.088 175.328 -0.373 0.000 1.173 483 H CA -0.571 55.143 56.048 -0.557 0.000 1.147 483 H CB 2.047 31.101 29.762 -1.181 0.000 1.805 483 H HN 0.513 nan 8.280 nan 0.000 0.553 484 S N -0.102 115.537 115.700 -0.102 0.000 2.541 484 S HA 0.244 4.454 4.470 -0.433 0.000 0.283 484 S C 0.540 175.093 174.600 -0.079 0.000 1.196 484 S CA -0.532 57.612 58.200 -0.094 0.000 1.062 484 S CB 0.771 63.950 63.200 -0.035 0.000 1.009 484 S HN 0.650 nan 8.310 nan 0.000 0.502 485 S N 2.463 118.105 115.700 -0.097 0.000 2.478 485 S HA -0.046 4.164 4.470 -0.433 0.000 0.222 485 S C 2.054 176.661 174.600 0.012 0.000 1.008 485 S CA 0.832 59.086 58.200 0.089 0.000 0.928 485 S CB -0.095 63.163 63.200 0.097 0.000 0.781 485 S HN 0.867 nan 8.310 nan 0.000 0.518 486 S N 2.053 117.717 115.700 -0.060 0.000 2.395 486 S HA -0.029 4.182 4.470 -0.433 0.000 0.225 486 S C 1.805 176.396 174.600 -0.016 0.000 1.027 486 S CA 1.069 59.250 58.200 -0.031 0.000 0.965 486 S CB -0.368 62.801 63.200 -0.051 0.000 0.812 486 S HN 0.529 nan 8.310 nan 0.000 0.482 487 S N 0.042 115.731 115.700 -0.018 0.000 2.512 487 S HA 0.220 4.430 4.470 -0.433 0.000 0.216 487 S C 0.175 174.780 174.600 0.008 0.000 1.006 487 S CA 0.334 58.531 58.200 -0.005 0.000 0.915 487 S CB -0.158 63.038 63.200 -0.007 0.000 0.824 487 S HN 0.283 nan 8.310 nan 0.000 0.497 488 D N 0.927 121.346 120.400 0.030 0.000 3.039 488 D HA -0.124 4.256 4.640 -0.433 0.000 0.222 488 D C -0.308 176.043 176.300 0.085 0.000 1.179 488 D CA 1.101 55.144 54.000 0.071 0.000 0.880 488 D CB -1.013 39.804 40.800 0.028 0.000 1.115 488 D HN 0.533 nan 8.370 nan 0.000 0.416 489 K N 0.654 121.078 120.400 0.040 0.000 2.143 489 K HA 0.218 4.278 4.320 -0.433 0.000 0.272 489 K C 0.434 176.986 176.600 -0.081 0.000 1.001 489 K CA -0.380 55.908 56.287 0.001 0.000 0.915 489 K CB 1.166 33.652 32.500 -0.024 0.000 1.047 489 K HN 0.066 nan 8.250 nan 0.000 0.458 490 E N 3.267 123.361 120.200 -0.177 0.000 2.159 490 E HA -0.058 4.033 4.350 -0.433 0.000 0.272 490 E C 0.675 177.071 176.600 -0.341 0.000 1.138 490 E CA -0.303 55.779 56.400 -0.529 0.000 0.915 490 E CB 0.492 29.974 29.700 -0.363 0.000 1.028 490 E HN 0.353 nan 8.360 nan 0.000 0.423 491 L N 5.092 126.098 121.223 -0.362 0.000 1.988 491 L HA -0.078 4.003 4.340 -0.433 0.000 0.207 491 L C 1.133 177.902 176.870 -0.169 0.000 1.071 491 L CA 1.658 56.384 54.840 -0.190 0.000 0.744 491 L CB -0.417 41.562 42.059 -0.133 0.000 0.893 491 L HN 0.607 nan 8.230 nan 0.000 0.433 492 R N -2.889 117.478 120.500 -0.221 0.000 2.728 492 R HA 0.451 4.531 4.340 -0.433 0.000 0.274 492 R C -1.527 174.638 176.300 -0.226 0.000 1.030 492 R CA -0.846 55.144 56.100 -0.182 0.000 0.876 492 R CB 1.171 31.393 30.300 -0.129 0.000 1.259 492 R HN -0.268 nan 8.270 nan 0.000 0.468 493 V N 2.736 122.540 119.914 -0.182 0.000 2.461 493 V HA 0.165 4.026 4.120 -0.433 0.000 0.275 493 V C 1.274 177.217 176.094 -0.253 0.000 1.047 493 V CA -0.291 61.898 62.300 -0.186 0.000 0.955 493 V CB 1.126 32.877 31.823 -0.121 0.000 0.988 493 V HN 0.634 nan 8.190 nan 0.000 0.471 494 L N 2.735 123.733 121.223 -0.376 0.000 2.221 494 L HA 0.323 4.403 4.340 -0.433 0.000 0.202 494 L C 0.655 177.274 176.870 -0.418 0.000 1.074 494 L CA 0.640 55.057 54.840 -0.705 0.000 0.795 494 L CB 0.240 41.446 42.059 -1.421 0.000 0.960 494 L HN 0.655 nan 8.230 nan 0.000 0.458 495 E N -0.106 119.989 120.200 -0.175 0.000 2.415 495 E HA 0.080 4.170 4.350 -0.433 0.000 0.302 495 E C -1.129 175.516 176.600 0.074 0.000 0.907 495 E CA -0.273 56.131 56.400 0.006 0.000 0.798 495 E CB 0.931 30.665 29.700 0.057 0.000 1.315 495 E HN 0.161 nan 8.360 nan 0.000 0.396 496 D N 3.252 123.665 120.400 0.022 0.000 2.433 496 D HA 0.104 4.484 4.640 -0.433 0.000 0.211 496 D C -0.276 176.023 176.300 -0.001 0.000 1.114 496 D CA -0.241 53.760 54.000 0.001 0.000 0.837 496 D CB -0.034 40.747 40.800 -0.031 0.000 0.984 496 D HN 0.486 nan 8.370 nan 0.000 0.505 497 N N 0.667 119.381 118.700 0.023 0.000 2.740 497 N HA -0.201 4.280 4.740 -0.433 0.000 0.248 497 N C 0.933 176.441 175.510 -0.003 0.000 1.062 497 N CA 0.807 53.866 53.050 0.015 0.000 0.704 497 N CB -1.112 37.384 38.487 0.016 0.000 0.968 497 N HN 0.469 nan 8.380 nan 0.000 0.547 498 S N -1.014 114.684 115.700 -0.004 0.000 2.383 498 S HA -0.025 4.186 4.470 -0.433 0.000 0.227 498 S C 2.076 176.681 174.600 0.008 0.000 1.026 498 S CA 0.856 59.054 58.200 -0.004 0.000 0.981 498 S CB -0.074 63.123 63.200 -0.006 0.000 0.818 498 S HN 0.486 nan 8.310 nan 0.000 0.472 499 A N 1.432 124.258 122.820 0.010 0.000 2.015 499 A HA 0.145 4.206 4.320 -0.433 0.000 0.219 499 A C 2.178 179.784 177.584 0.038 0.000 1.163 499 A CA 1.358 53.403 52.037 0.014 0.000 0.646 499 A CB -0.704 18.298 19.000 0.002 0.000 0.806 499 A HN 0.523 nan 8.150 nan 0.000 0.448 500 L N -0.384 120.872 121.223 0.054 0.000 2.109 500 L HA -0.073 4.007 4.340 -0.433 0.000 0.207 500 L C 1.842 178.784 176.870 0.120 0.000 1.086 500 L CA 2.159 57.067 54.840 0.113 0.000 0.760 500 L CB -0.449 41.678 42.059 0.114 0.000 0.910 500 L HN 0.348 nan 8.230 nan 0.000 0.437 501 D N -0.190 120.242 120.400 0.053 0.000 2.144 501 D HA -0.257 4.123 4.640 -0.433 0.000 0.199 501 D C 2.117 178.457 176.300 0.067 0.000 0.984 501 D CA 1.216 55.239 54.000 0.039 0.000 0.834 501 D CB 0.247 41.046 40.800 -0.001 0.000 0.955 501 D HN 0.336 nan 8.370 nan 0.000 0.465 502 K N 0.068 120.503 120.400 0.059 0.000 2.103 502 K HA -0.107 3.953 4.320 -0.433 0.000 0.207 502 K C 2.152 178.806 176.600 0.090 0.000 1.048 502 K CA 1.185 57.507 56.287 0.057 0.000 0.930 502 K CB -0.071 32.449 32.500 0.033 0.000 0.716 502 K HN 0.111 nan 8.250 nan 0.000 0.444 503 M N -0.172 119.507 119.600 0.131 0.000 2.334 503 M HA 0.025 4.245 4.480 -0.433 0.000 0.266 503 M C 1.795 178.357 176.300 0.437 0.000 1.082 503 M CA 0.902 56.319 55.300 0.195 0.000 1.141 503 M CB 0.090 32.731 32.600 0.069 0.000 1.380 503 M HN 0.094 nan 8.290 nan 0.000 0.440 504 L N 0.336 121.778 121.223 0.365 0.000 2.240 504 L HA -0.148 3.932 4.340 -0.433 0.000 0.211 504 L C 2.620 179.587 176.870 0.162 0.000 1.106 504 L CA 0.822 55.828 54.840 0.277 0.000 0.793 504 L CB -0.460 41.699 42.059 0.167 0.000 0.927 504 L HN 0.424 nan 8.230 nan 0.000 0.446 505 Q N -0.703 119.176 119.800 0.132 0.000 2.297 505 Q HA -0.180 3.900 4.340 -0.433 0.000 0.204 505 Q C 0.956 177.017 176.000 0.102 0.000 0.962 505 Q CA 1.478 57.335 55.803 0.090 0.000 0.879 505 Q CB -0.320 28.457 28.738 0.065 0.000 0.947 505 Q HN 0.370 nan 8.270 nan 0.000 0.462 506 D N 0.683 121.168 120.400 0.141 0.000 2.269 506 D HA -0.003 4.378 4.640 -0.433 0.000 0.208 506 D C 0.100 176.494 176.300 0.158 0.000 0.963 506 D CA 0.569 54.654 54.000 0.142 0.000 0.864 506 D CB 0.449 41.343 40.800 0.158 0.000 0.936 506 D HN 0.055 nan 8.370 nan 0.000 0.505 507 V N 0.394 120.414 119.914 0.176 0.000 2.732 507 V HA 0.178 4.038 4.120 -0.433 0.000 0.310 507 V C -0.535 175.603 176.094 0.073 0.000 1.053 507 V CA -0.716 61.675 62.300 0.151 0.000 0.957 507 V CB 1.985 33.911 31.823 0.172 0.000 1.018 507 V HN -0.101 nan 8.190 nan 0.000 0.452 508 Q N 4.342 124.180 119.800 0.063 0.000 2.513 508 Q HA 0.235 4.315 4.340 -0.433 0.000 0.227 508 Q C -0.537 175.443 176.000 -0.033 0.000 1.257 508 Q CA -0.281 55.526 55.803 0.008 0.000 0.915 508 Q CB 0.325 29.083 28.738 0.033 0.000 1.507 508 Q HN 0.509 nan 8.270 nan 0.000 0.543 509 M N 4.339 123.902 119.600 -0.062 0.000 2.217 509 M HA 0.270 4.491 4.480 -0.433 0.000 0.354 509 M C -2.033 174.192 176.300 -0.125 0.000 1.225 509 M CA -2.556 52.684 55.300 -0.100 0.000 1.137 509 M CB 0.259 32.813 32.600 -0.076 0.000 1.576 509 M HN 0.322 nan 8.290 nan 0.000 0.461 510 P HA 0.234 nan 4.420 nan 0.000 0.276 510 P C -0.900 176.306 177.300 -0.157 0.000 1.252 510 P CA -0.438 62.560 63.100 -0.169 0.000 0.802 510 P CB 0.481 32.065 31.700 -0.195 0.000 1.035 511 S N -0.125 115.469 115.700 -0.175 0.000 2.509 511 S HA 0.463 4.673 4.470 -0.433 0.000 0.297 511 S C -0.332 174.167 174.600 -0.169 0.000 1.118 511 S CA -0.831 57.279 58.200 -0.151 0.000 1.074 511 S CB 1.356 64.466 63.200 -0.150 0.000 1.038 511 S HN 0.419 nan 8.310 nan 0.000 0.498 512 K N 1.628 121.959 120.400 -0.116 0.000 2.316 512 K HA 0.369 4.429 4.320 -0.433 0.000 0.267 512 K C -1.039 175.510 176.600 -0.084 0.000 1.025 512 K CA -0.405 55.820 56.287 -0.103 0.000 0.896 512 K CB 0.626 33.085 32.500 -0.069 0.000 1.124 512 K HN 0.607 nan 8.250 nan 0.000 0.451 513 K N 3.780 124.114 120.400 -0.110 0.000 2.235 513 K HA 0.376 4.436 4.320 -0.433 0.000 0.266 513 K C -1.236 175.318 176.600 -0.077 0.000 0.980 513 K CA -0.652 55.580 56.287 -0.091 0.000 0.849 513 K CB 1.040 33.461 32.500 -0.132 0.000 1.098 513 K HN 0.354 nan 8.250 nan 0.000 0.445 514 L N 3.344 124.549 121.223 -0.031 0.000 2.313 514 L HA 0.431 4.511 4.340 -0.433 0.000 0.283 514 L C -0.406 176.438 176.870 -0.043 0.000 1.013 514 L CA 0.092 54.940 54.840 0.014 0.000 0.816 514 L CB 1.300 43.460 42.059 0.169 0.000 1.236 514 L HN 0.703 nan 8.230 nan 0.000 0.419 515 D N 1.452 121.635 120.400 -0.362 0.000 2.867 515 D HA 0.588 4.968 4.640 -0.433 0.000 0.308 515 D C -1.594 174.313 176.300 -0.655 0.000 1.202 515 D CA -0.237 53.461 54.000 -0.502 0.000 1.035 515 D CB 2.551 43.104 40.800 -0.412 0.000 1.427 515 D HN 0.170 nan 8.370 nan 0.000 0.570 516 V N 0.755 120.438 119.914 -0.386 0.000 2.925 516 V HA 0.598 4.458 4.120 -0.433 0.000 0.311 516 V C -0.824 175.397 176.094 0.212 0.000 1.104 516 V CA -0.544 61.625 62.300 -0.218 0.000 0.954 516 V CB 2.160 33.568 31.823 -0.691 0.000 1.022 516 V HN 0.476 nan 8.190 nan 0.000 0.427 517 I N 1.447 122.195 120.570 0.297 0.000 3.074 517 I HA 0.694 4.604 4.170 -0.433 0.000 0.310 517 I C -0.670 175.516 176.117 0.116 0.000 1.153 517 I CA -0.828 60.584 61.300 0.187 0.000 0.993 517 I CB 2.153 40.218 38.000 0.108 0.000 1.237 517 I HN 0.347 nan 8.210 nan 0.000 0.443 518 N N 2.826 121.544 118.700 0.030 0.000 2.434 518 N HA 0.581 5.061 4.740 -0.433 0.000 0.272 518 N C -1.470 174.015 175.510 -0.043 0.000 1.040 518 N CA -0.202 52.842 53.050 -0.011 0.000 0.956 518 N CB 1.059 39.526 38.487 -0.034 0.000 1.108 518 N HN 0.553 nan 8.380 nan 0.000 0.481 519 L N 3.517 124.695 121.223 -0.074 0.000 2.372 519 L HA 0.270 4.351 4.340 -0.433 0.000 0.274 519 L C -0.339 176.102 176.870 -0.714 0.000 0.988 519 L CA -0.885 53.743 54.840 -0.353 0.000 0.833 519 L CB 1.016 42.910 42.059 -0.275 0.000 1.236 519 L HN 0.869 nan 8.230 nan 0.000 0.410 520 H N 0.746 119.865 119.070 0.081 0.000 2.557 520 H HA -0.202 4.094 4.556 -0.433 0.000 0.319 520 H C 0.937 176.281 175.328 0.026 0.000 1.102 520 H CA 0.613 56.685 56.048 0.041 0.000 1.126 520 H CB -2.040 27.738 29.762 0.025 0.000 1.498 520 H HN 1.031 nan 8.280 nan 0.000 0.411 521 G N -1.091 107.718 108.800 0.016 0.000 2.160 521 G HA2 -0.251 3.449 3.960 -0.433 0.000 0.251 521 G HA3 -0.251 3.449 3.960 -0.433 0.000 0.251 521 G C 0.134 175.009 174.900 -0.041 0.000 1.008 521 G CA 0.408 45.507 45.100 -0.001 0.000 0.724 521 G HN 1.044 nan 8.290 nan 0.000 0.514 522 T N -0.069 114.419 114.554 -0.109 0.000 2.881 522 T HA 0.504 4.594 4.350 -0.433 0.000 0.290 522 T C -0.122 174.330 174.700 -0.414 0.000 1.000 522 T CA -0.773 61.163 62.100 -0.273 0.000 0.978 522 T CB 2.268 70.941 68.868 -0.326 0.000 0.997 522 T HN 0.303 nan 8.240 nan 0.000 0.443 523 K N 2.843 123.015 120.400 -0.381 0.000 2.379 523 K HA 0.363 4.423 4.320 -0.433 0.000 0.284 523 K C -1.320 175.032 176.600 -0.412 0.000 1.044 523 K CA 0.090 56.212 56.287 -0.275 0.000 0.974 523 K CB 0.258 32.669 32.500 -0.148 0.000 0.962 523 K HN 0.550 nan 8.250 nan 0.000 0.474 524 F N 3.072 123.081 119.950 0.099 0.000 2.569 524 F HA 0.274 4.542 4.527 -0.432 0.000 0.312 524 F C -0.578 175.356 175.800 0.224 0.000 1.109 524 F CA -1.109 57.001 58.000 0.183 0.000 0.919 524 F CB 1.153 40.292 39.000 0.232 0.000 1.211 524 F HN 0.503 nan 8.300 nan 0.000 0.446 525 W N 3.349 124.863 121.300 0.357 0.000 2.313 525 W HA 0.473 4.873 4.660 -0.433 0.000 0.328 525 W C -0.744 176.014 176.519 0.398 0.000 1.197 525 W CA -0.342 57.178 57.345 0.291 0.000 1.235 525 W CB 0.801 30.361 29.460 0.167 0.000 1.158 525 W HN 0.397 nan 8.180 nan 0.000 0.578 526 Y N 0.012 120.641 120.300 0.549 0.000 2.571 526 Y HA 0.567 4.857 4.550 -0.433 0.000 0.341 526 Y C -0.890 175.226 175.900 0.359 0.000 1.076 526 Y CA -1.763 56.652 58.100 0.525 0.000 1.029 526 Y CB 0.976 39.900 38.460 0.773 0.000 1.308 526 Y HN 0.579 nan 8.280 nan 0.000 0.461 527 Q N 3.065 123.071 119.800 0.342 0.000 2.399 527 Q HA 0.796 4.877 4.340 -0.433 0.000 0.276 527 Q C -1.590 174.496 176.000 0.144 0.000 1.098 527 Q CA -1.228 54.658 55.803 0.139 0.000 0.827 527 Q CB 3.260 32.061 28.738 0.106 0.000 1.386 527 Q HN 0.872 nan 8.270 nan 0.000 0.443 528 M N 2.170 121.778 119.600 0.014 0.000 2.271 528 M HA 0.399 4.619 4.480 -0.433 0.000 0.285 528 M C -1.314 174.905 176.300 -0.136 0.000 1.059 528 M CA -0.797 54.464 55.300 -0.065 0.000 0.940 528 M CB 2.318 34.858 32.600 -0.100 0.000 1.636 528 M HN 0.623 nan 8.290 nan 0.000 0.460 529 I N 5.321 125.807 120.570 -0.138 0.000 2.281 529 I HA 0.300 4.210 4.170 -0.433 0.000 0.293 529 I C -0.465 175.494 176.117 -0.264 0.000 1.085 529 I CA -0.139 61.051 61.300 -0.182 0.000 1.257 529 I CB -0.213 37.697 38.000 -0.150 0.000 1.430 529 I HN 0.621 nan 8.210 nan 0.000 0.489 530 L N 8.288 129.296 121.223 -0.359 0.000 2.289 530 L HA 0.415 4.495 4.340 -0.433 0.000 0.285 530 L C -2.133 174.506 176.870 -0.385 0.000 1.049 530 L CA -1.801 52.716 54.840 -0.538 0.000 0.804 530 L CB 1.200 42.691 42.059 -0.946 0.000 1.195 530 L HN 0.234 nan 8.230 nan 0.000 0.428 531 P HA 0.067 nan 4.420 nan 0.000 0.267 531 P C -2.464 174.759 177.300 -0.128 0.000 1.200 531 P CA -0.830 62.149 63.100 -0.202 0.000 0.772 531 P CB -0.140 31.448 31.700 -0.186 0.000 0.855 532 P HA 0.012 nan 4.420 nan 0.000 0.267 532 P C -0.603 176.634 177.300 -0.105 0.000 1.200 532 P CA 0.428 63.409 63.100 -0.198 0.000 0.772 532 P CB -0.240 31.296 31.700 -0.274 0.000 0.855 533 H N -1.692 117.417 119.070 0.064 0.000 2.826 533 H HA -0.206 4.090 4.556 -0.433 0.000 0.306 533 H C -0.248 175.150 175.328 0.116 0.000 1.235 533 H CA -0.276 55.818 56.048 0.077 0.000 1.150 533 H CB -2.365 27.438 29.762 0.067 0.000 1.409 533 H HN 0.302 nan 8.280 nan 0.000 0.420 534 F N 2.551 122.499 119.950 -0.003 0.000 2.557 534 F HA 0.196 4.464 4.527 -0.433 0.000 0.384 534 F C 0.552 176.358 175.800 0.009 0.000 1.057 534 F CA -0.351 57.603 58.000 -0.078 0.000 1.169 534 F CB 0.359 39.221 39.000 -0.230 0.000 1.070 534 F HN 0.349 nan 8.300 nan 0.000 0.554 535 D N 4.498 124.643 120.400 -0.426 0.000 2.502 535 D HA 0.278 4.659 4.640 -0.433 0.000 0.249 535 D C 0.007 175.994 176.300 -0.522 0.000 1.092 535 D CA -0.628 53.147 54.000 -0.375 0.000 0.839 535 D CB 1.557 42.295 40.800 -0.103 0.000 1.264 535 D HN 0.517 nan 8.370 nan 0.000 0.511 536 K N 1.312 121.431 120.400 -0.468 0.000 2.486 536 K HA 0.004 4.064 4.320 -0.433 0.000 0.194 536 K C 1.668 178.258 176.600 -0.016 0.000 1.033 536 K CA 0.693 56.835 56.287 -0.242 0.000 1.004 536 K CB 0.161 32.597 32.500 -0.106 0.000 0.798 536 K HN 0.422 nan 8.250 nan 0.000 0.495 537 S N 0.529 116.191 115.700 -0.064 0.000 2.388 537 S HA -0.008 4.202 4.470 -0.433 0.000 0.223 537 S C 0.932 175.497 174.600 -0.059 0.000 1.034 537 S CA 0.101 58.278 58.200 -0.039 0.000 0.963 537 S CB 0.073 63.244 63.200 -0.049 0.000 0.827 537 S HN 0.081 nan 8.310 nan 0.000 0.481 538 K N 1.668 122.000 120.400 -0.112 0.000 2.295 538 K HA 0.172 4.232 4.320 -0.433 0.000 0.270 538 K C -0.522 175.924 176.600 -0.257 0.000 1.011 538 K CA -0.091 56.058 56.287 -0.230 0.000 0.953 538 K CB 0.422 32.703 32.500 -0.365 0.000 0.956 538 K HN 0.160 nan 8.250 nan 0.000 0.477 539 K N 3.386 123.613 120.400 -0.288 0.000 2.211 539 K HA 0.197 4.258 4.320 -0.433 0.000 0.275 539 K C -1.069 175.351 176.600 -0.300 0.000 1.024 539 K CA -0.385 55.797 56.287 -0.175 0.000 0.887 539 K CB 0.909 33.341 32.500 -0.113 0.000 1.084 539 K HN 0.424 nan 8.250 nan 0.000 0.463 540 Y N 2.871 123.197 120.300 0.043 0.000 2.409 540 Y HA 0.280 4.570 4.550 -0.433 0.000 0.339 540 Y C -1.840 174.004 175.900 -0.093 0.000 1.033 540 Y CA -2.399 55.707 58.100 0.010 0.000 1.094 540 Y CB 1.266 39.798 38.460 0.120 0.000 1.210 540 Y HN 0.474 nan 8.280 nan 0.000 0.456 541 P HA 0.120 nan 4.420 nan 0.000 0.274 541 P C -0.967 176.195 177.300 -0.230 0.000 1.231 541 P CA -0.127 62.715 63.100 -0.429 0.000 0.790 541 P CB 1.513 32.584 31.700 -1.047 0.000 0.951 542 L N 2.812 123.926 121.223 -0.181 0.000 2.333 542 L HA 0.449 4.530 4.340 -0.433 0.000 0.280 542 L C -0.666 176.382 176.870 0.296 0.000 1.004 542 L CA -1.188 53.693 54.840 0.067 0.000 0.820 542 L CB 1.633 43.733 42.059 0.068 0.000 1.247 542 L HN 0.258 nan 8.230 nan 0.000 0.416 543 L N 6.090 127.496 121.223 0.306 0.000 2.325 543 L HA 0.494 4.574 4.340 -0.433 0.000 0.281 543 L C -0.730 176.352 176.870 0.353 0.000 1.004 543 L CA -0.225 54.849 54.840 0.390 0.000 0.823 543 L CB 1.314 43.563 42.059 0.316 0.000 1.236 543 L HN 0.339 nan 8.230 nan 0.000 0.415 544 I N 4.317 125.147 120.570 0.433 0.000 2.301 544 I HA 0.248 4.159 4.170 -0.433 0.000 0.292 544 I C 0.331 176.676 176.117 0.380 0.000 1.046 544 I CA -0.005 61.539 61.300 0.406 0.000 1.282 544 I CB 0.789 39.085 38.000 0.493 0.000 1.409 544 I HN 0.726 nan 8.210 nan 0.000 0.484 545 E N 6.000 126.403 120.200 0.338 0.000 2.130 545 E HA 0.401 4.491 4.350 -0.433 0.000 0.284 545 E C -1.265 175.424 176.600 0.148 0.000 1.018 545 E CA -0.300 56.240 56.400 0.235 0.000 0.817 545 E CB 1.494 31.392 29.700 0.331 0.000 1.078 545 E HN 0.433 nan 8.360 nan 0.000 0.396 546 V N 5.494 125.430 119.914 0.037 0.000 2.769 546 V HA 0.334 4.195 4.120 -0.433 0.000 0.312 546 V C -1.117 175.068 176.094 0.150 0.000 1.061 546 V CA -0.287 62.088 62.300 0.125 0.000 0.931 546 V CB 1.605 33.503 31.823 0.125 0.000 1.010 546 V HN 0.913 nan 8.190 nan 0.000 0.433 547 Y N 4.847 125.212 120.300 0.109 0.000 2.886 547 Y HA 0.541 4.831 4.550 -0.434 0.000 0.244 547 Y C 1.592 177.648 175.900 0.259 0.000 1.017 547 Y CA 1.283 59.482 58.100 0.165 0.000 1.389 547 Y CB 0.194 38.730 38.460 0.126 0.000 1.477 547 Y HN 0.997 nan 8.280 nan 0.000 0.466 548 A N 0.807 123.815 122.820 0.314 0.000 2.847 548 A HA -0.169 3.891 4.320 -0.433 0.000 0.263 548 A C 0.944 178.544 177.584 0.026 0.000 1.391 548 A CA 0.864 53.023 52.037 0.203 0.000 0.866 548 A CB -2.430 16.707 19.000 0.229 0.000 1.057 548 A HN 0.885 nan 8.150 nan 0.000 0.673 549 G N -0.299 108.368 108.800 -0.222 0.000 2.594 549 G HA2 0.477 4.177 3.960 -0.433 0.000 0.243 549 G HA3 0.477 4.177 3.960 -0.433 0.000 0.243 549 G C -1.770 172.913 174.900 -0.360 0.000 1.229 549 G CA -0.541 44.022 45.100 -0.895 0.000 0.843 549 G HN 0.402 nan 8.290 nan 0.000 0.578 550 P HA 0.049 nan 4.420 nan 0.000 0.265 550 P C 0.593 177.766 177.300 -0.212 0.000 1.193 550 P CA 0.150 63.002 63.100 -0.414 0.000 0.765 550 P CB 0.504 31.513 31.700 -1.151 0.000 0.823 551 C N 0.798 120.034 119.300 -0.107 0.000 4.784 551 C HA -0.155 4.045 4.460 -0.433 0.000 0.261 551 C C 1.219 176.158 174.990 -0.085 0.000 1.492 551 C CA 0.982 59.850 59.018 -0.249 0.000 1.622 551 C CB -3.333 23.989 27.740 -0.697 0.000 1.855 551 C HN 0.802 nan 8.230 nan 0.000 0.662 552 S N -0.202 115.583 115.700 0.141 0.000 2.672 552 S HA 0.638 4.849 4.470 -0.433 0.000 0.276 552 S C -0.789 173.982 174.600 0.285 0.000 1.207 552 S CA -0.292 58.093 58.200 0.309 0.000 1.002 552 S CB 1.958 65.395 63.200 0.396 0.000 0.998 552 S HN 0.605 nan 8.310 nan 0.000 0.542 553 Q N 0.256 120.248 119.800 0.319 0.000 2.303 553 Q HA 0.363 4.444 4.340 -0.433 0.000 0.267 553 Q C -0.192 175.908 176.000 0.166 0.000 1.011 553 Q CA -0.731 55.237 55.803 0.276 0.000 0.740 553 Q CB 1.222 30.173 28.738 0.355 0.000 1.250 553 Q HN 0.687 nan 8.270 nan 0.000 0.458 554 K N 2.058 122.554 120.400 0.160 0.000 2.323 554 K HA 0.170 4.231 4.320 -0.433 0.000 0.197 554 K C -0.173 176.499 176.600 0.121 0.000 1.043 554 K CA 0.473 56.843 56.287 0.138 0.000 0.997 554 K CB 0.806 33.420 32.500 0.190 0.000 0.807 554 K HN 0.452 nan 8.250 nan 0.000 0.497 555 V N 3.904 123.899 119.914 0.135 0.000 2.328 555 V HA 0.160 4.021 4.120 -0.433 0.000 0.278 555 V C -0.616 175.519 176.094 0.068 0.000 1.021 555 V CA -0.746 61.633 62.300 0.132 0.000 0.838 555 V CB 1.073 33.028 31.823 0.220 0.000 0.999 555 V HN 0.278 nan 8.190 nan 0.000 0.447 556 D N 2.160 122.573 120.400 0.021 0.000 2.752 556 D HA 0.360 4.740 4.640 -0.433 0.000 0.313 556 D C 0.355 176.636 176.300 -0.032 0.000 1.225 556 D CA -0.228 53.767 54.000 -0.009 0.000 0.976 556 D CB 1.408 42.182 40.800 -0.043 0.000 1.443 556 D HN 0.346 nan 8.370 nan 0.000 0.515 557 T N -2.054 112.500 114.554 -0.000 0.000 3.264 557 T HA 0.377 4.467 4.350 -0.433 0.000 0.257 557 T C 0.194 174.858 174.700 -0.062 0.000 0.976 557 T CA -0.492 61.615 62.100 0.012 0.000 0.908 557 T CB -0.853 68.068 68.868 0.089 0.000 1.082 557 T HN 0.277 nan 8.240 nan 0.000 0.567 558 V N 2.460 122.232 119.914 -0.236 0.000 2.530 558 V HA 0.354 4.214 4.120 -0.433 0.000 0.282 558 V C 0.111 176.177 176.094 -0.046 0.000 1.048 558 V CA -1.127 61.025 62.300 -0.248 0.000 0.997 558 V CB 0.221 31.761 31.823 -0.470 0.000 0.987 558 V HN 0.615 nan 8.190 nan 0.000 0.477 559 F N 6.379 126.285 119.950 -0.073 0.000 2.467 559 F HA 0.513 4.781 4.527 -0.432 0.000 0.362 559 F C 0.489 176.274 175.800 -0.025 0.000 1.090 559 F CA -0.024 57.950 58.000 -0.043 0.000 1.202 559 F CB 0.160 39.151 39.000 -0.015 0.000 1.113 559 F HN 0.409 nan 8.300 nan 0.000 0.541 560 R N 6.034 126.081 120.500 -0.754 0.000 2.538 560 R HA 0.385 4.465 4.340 -0.433 0.000 0.292 560 R C -1.809 174.064 176.300 -0.712 0.000 1.008 560 R CA -1.168 54.603 56.100 -0.548 0.000 0.896 560 R CB 1.726 31.870 30.300 -0.260 0.000 1.187 560 R HN 0.480 nan 8.270 nan 0.000 0.440 561 L N 3.393 124.329 121.223 -0.478 0.000 2.302 561 L HA 0.254 4.334 4.340 -0.433 0.000 0.285 561 L C 0.275 177.084 176.870 -0.102 0.000 1.090 561 L CA 0.330 54.974 54.840 -0.327 0.000 0.866 561 L CB 0.301 42.338 42.059 -0.037 0.000 1.244 561 L HN 0.696 nan 8.230 nan 0.000 0.435 562 S N 1.714 117.250 115.700 -0.273 0.000 2.798 562 S HA 0.303 4.513 4.470 -0.433 0.000 0.312 562 S C 0.654 174.848 174.600 -0.676 0.000 1.122 562 S CA -0.665 57.315 58.200 -0.366 0.000 0.949 562 S CB 0.663 63.766 63.200 -0.162 0.000 1.235 562 S HN 0.527 nan 8.310 nan 0.000 0.552 563 W N 1.123 121.824 121.300 -0.997 0.000 2.388 563 W HA 0.118 4.521 4.660 -0.427 0.000 0.294 563 W C 2.353 178.794 176.519 -0.129 0.000 1.212 563 W CA 1.707 58.678 57.345 -0.622 0.000 1.271 563 W CB -1.018 28.241 29.460 -0.335 0.000 1.126 563 W HN 0.821 nan 8.180 nan 0.000 0.535 564 A N -0.446 122.286 122.820 -0.146 0.000 1.972 564 A HA -0.176 3.885 4.320 -0.433 0.000 0.219 564 A C 1.928 179.361 177.584 -0.251 0.000 1.169 564 A CA 2.281 54.175 52.037 -0.238 0.000 0.635 564 A CB -1.246 17.716 19.000 -0.063 0.000 0.810 564 A HN 0.275 nan 8.150 nan 0.000 0.446 565 T N -1.141 113.268 114.554 -0.241 0.000 2.720 565 T HA -0.216 3.874 4.350 -0.433 0.000 0.268 565 T C 1.783 176.412 174.700 -0.117 0.000 1.037 565 T CA 1.847 63.765 62.100 -0.303 0.000 1.144 565 T CB -0.440 68.078 68.868 -0.583 0.000 0.864 565 T HN 0.758 nan 8.240 nan 0.000 0.444 566 Y N 1.509 121.788 120.300 -0.036 0.000 2.286 566 Y HA 0.154 4.444 4.550 -0.433 0.000 0.293 566 Y C 1.878 177.738 175.900 -0.066 0.000 1.124 566 Y CA 0.654 58.818 58.100 0.107 0.000 1.178 566 Y CB -0.623 37.944 38.460 0.179 0.000 1.010 566 Y HN 0.101 nan 8.280 nan 0.000 0.536 567 L N 0.320 121.108 121.223 -0.725 0.000 2.131 567 L HA -0.154 3.927 4.340 -0.433 0.000 0.210 567 L C 2.754 179.369 176.870 -0.424 0.000 1.092 567 L CA 1.213 55.572 54.840 -0.801 0.000 0.759 567 L CB -0.762 40.844 42.059 -0.756 0.000 0.903 567 L HN 0.434 nan 8.230 nan 0.000 0.435 568 A N -1.373 121.268 122.820 -0.300 0.000 1.903 568 A HA -0.141 3.919 4.320 -0.433 0.000 0.213 568 A C 2.487 179.986 177.584 -0.143 0.000 1.185 568 A CA 1.502 53.416 52.037 -0.204 0.000 0.628 568 A CB -0.487 18.388 19.000 -0.210 0.000 0.830 568 A HN 0.308 nan 8.150 nan 0.000 0.446 569 S N -0.832 114.798 115.700 -0.116 0.000 2.338 569 S HA -0.122 4.088 4.470 -0.433 0.000 0.218 569 S C 2.035 176.644 174.600 0.014 0.000 1.032 569 S CA 2.341 60.525 58.200 -0.026 0.000 0.999 569 S CB -0.472 62.762 63.200 0.057 0.000 0.905 569 S HN 0.568 nan 8.310 nan 0.000 0.439 570 T N 1.386 115.942 114.554 0.004 0.000 2.901 570 T HA 0.164 4.255 4.350 -0.433 0.000 0.252 570 T C 1.494 176.184 174.700 -0.018 0.000 1.035 570 T CA 0.668 62.797 62.100 0.049 0.000 1.142 570 T CB -0.174 68.813 68.868 0.198 0.000 0.869 570 T HN 0.317 nan 8.240 nan 0.000 0.442 571 E N 1.118 121.220 120.200 -0.164 0.000 2.474 571 E HA 0.147 4.238 4.350 -0.433 0.000 0.194 571 E C -0.045 176.537 176.600 -0.030 0.000 1.041 571 E CA -0.053 56.276 56.400 -0.117 0.000 0.874 571 E CB -0.284 29.264 29.700 -0.253 0.000 0.914 571 E HN 0.477 nan 8.360 nan 0.000 0.498 572 N N 0.567 119.256 118.700 -0.019 0.000 2.738 572 N HA -0.189 4.292 4.740 -0.433 0.000 0.249 572 N C -1.000 174.576 175.510 0.111 0.000 1.047 572 N CA 0.377 53.477 53.050 0.083 0.000 0.707 572 N CB -1.254 37.360 38.487 0.211 0.000 0.937 572 N HN 0.204 nan 8.380 nan 0.000 0.545 573 I N 0.468 121.031 120.570 -0.012 0.000 2.441 573 I HA 0.378 4.288 4.170 -0.433 0.000 0.295 573 I C 0.574 176.655 176.117 -0.060 0.000 0.994 573 I CA -0.926 60.376 61.300 0.004 0.000 1.144 573 I CB 1.452 39.473 38.000 0.036 0.000 1.314 573 I HN 0.015 nan 8.210 nan 0.000 0.445 574 I N 6.136 126.690 120.570 -0.028 0.000 2.396 574 I HA 0.130 4.040 4.170 -0.433 0.000 0.289 574 I C -0.399 175.706 176.117 -0.020 0.000 1.056 574 I CA -0.346 60.912 61.300 -0.070 0.000 1.365 574 I CB 0.787 38.777 38.000 -0.017 0.000 1.407 574 I HN 0.205 nan 8.210 nan 0.000 0.509 575 V N 6.895 126.777 119.914 -0.053 0.000 2.328 575 V HA 0.572 4.433 4.120 -0.433 0.000 0.278 575 V C 0.433 176.538 176.094 0.019 0.000 1.021 575 V CA -0.488 61.823 62.300 0.019 0.000 0.838 575 V CB 0.999 32.825 31.823 0.005 0.000 0.999 575 V HN 0.821 nan 8.190 nan 0.000 0.447 576 A N 4.010 126.863 122.820 0.056 0.000 2.325 576 A HA 0.909 4.969 4.320 -0.433 0.000 0.333 576 A C -0.039 177.661 177.584 0.193 0.000 1.155 576 A CA -0.444 51.609 52.037 0.028 0.000 0.814 576 A CB 1.468 20.321 19.000 -0.245 0.000 1.206 576 A HN 0.677 nan 8.150 nan 0.000 0.482 577 S N 0.016 115.872 115.700 0.260 0.000 2.548 577 S HA 0.777 4.988 4.470 -0.433 0.000 0.286 577 S C -1.449 173.468 174.600 0.529 0.000 1.098 577 S CA -0.291 58.118 58.200 0.349 0.000 0.930 577 S CB 1.297 64.649 63.200 0.254 0.000 1.070 577 S HN 0.718 nan 8.310 nan 0.000 0.480 578 F N 1.749 121.901 119.950 0.336 0.000 2.569 578 F HA 0.475 4.742 4.527 -0.434 0.000 0.312 578 F C -1.569 174.389 175.800 0.263 0.000 1.109 578 F CA -0.789 57.427 58.000 0.360 0.000 0.919 578 F CB 1.557 40.765 39.000 0.347 0.000 1.211 578 F HN 0.383 nan 8.300 nan 0.000 0.446 579 D N 4.306 124.381 120.400 -0.541 0.000 2.454 579 D HA 0.408 4.789 4.640 -0.433 0.000 0.225 579 D C 0.296 176.010 176.300 -0.977 0.000 1.081 579 D CA 0.132 53.867 54.000 -0.441 0.000 0.864 579 D CB 1.606 42.378 40.800 -0.047 0.000 1.040 579 D HN 0.779 nan 8.370 nan 0.000 0.517 580 G N 1.562 109.857 108.800 -0.841 0.000 2.945 580 G HA2 0.280 3.981 3.960 -0.433 0.000 0.156 580 G HA3 0.280 3.981 3.960 -0.433 0.000 0.156 580 G C 0.099 174.624 174.900 -0.625 0.000 1.375 580 G CA -0.579 43.908 45.100 -1.022 0.000 1.039 580 G HN 0.283 nan 8.290 nan 0.000 0.586 581 R N -0.426 119.881 120.500 -0.322 0.000 2.491 581 R HA 0.416 4.497 4.340 -0.433 0.000 0.283 581 R C 1.093 177.457 176.300 0.107 0.000 1.072 581 R CA 1.233 57.362 56.100 0.049 0.000 1.048 581 R CB 0.788 31.196 30.300 0.180 0.000 0.983 581 R HN 0.991 nan 8.270 nan 0.000 0.450 582 G N 1.172 110.055 108.800 0.139 0.000 2.258 582 G HA2 -0.333 3.367 3.960 -0.433 0.000 0.233 582 G HA3 -0.333 3.367 3.960 -0.433 0.000 0.233 582 G C 0.172 175.114 174.900 0.070 0.000 1.006 582 G CA 0.169 45.343 45.100 0.124 0.000 0.620 582 G HN 0.722 nan 8.290 nan 0.000 0.511 583 S N 0.586 116.322 115.700 0.060 0.000 2.584 583 S HA 0.620 4.830 4.470 -0.433 0.000 0.270 583 S C 0.957 175.578 174.600 0.035 0.000 1.346 583 S CA 0.621 58.859 58.200 0.062 0.000 1.018 583 S CB 1.644 64.887 63.200 0.073 0.000 0.899 583 S HN 1.690 nan 8.310 nan 0.000 0.542 584 G N -0.376 108.416 108.800 -0.013 0.000 2.557 584 G HA2 0.478 4.178 3.960 -0.433 0.000 0.302 584 G HA3 0.478 4.178 3.960 -0.433 0.000 0.302 584 G C -0.812 174.045 174.900 -0.070 0.000 1.311 584 G CA -0.933 44.026 45.100 -0.234 0.000 1.030 584 G HN 1.012 nan 8.290 nan 0.000 0.509 585 Y N -2.432 117.887 120.300 0.033 0.000 4.668 585 Y HA -0.221 4.069 4.550 -0.433 0.000 0.234 585 Y C 1.376 177.324 175.900 0.081 0.000 1.056 585 Y CA 1.179 59.312 58.100 0.055 0.000 2.025 585 Y CB -2.085 36.420 38.460 0.076 0.000 1.613 585 Y HN 0.526 nan 8.280 nan 0.000 0.653 586 Q N -0.057 119.823 119.800 0.134 0.000 2.084 586 Q HA 0.508 4.588 4.340 -0.433 0.000 0.230 586 Q C 0.845 176.831 176.000 -0.024 0.000 0.806 586 Q CA 0.181 56.081 55.803 0.163 0.000 1.083 586 Q CB 1.610 30.469 28.738 0.202 0.000 1.208 586 Q HN 0.569 nan 8.270 nan 0.000 0.462 587 G N 0.733 109.385 108.800 -0.246 0.000 2.662 587 G HA2 -0.188 3.512 3.960 -0.433 0.000 0.686 587 G HA3 -0.188 3.512 3.960 -0.433 0.000 0.686 587 G C -0.490 174.076 174.900 -0.557 0.000 1.271 587 G CA -0.597 44.069 45.100 -0.723 0.000 0.816 587 G HN 0.124 nan 8.290 nan 0.000 0.608 588 D N -0.024 119.991 120.400 -0.642 0.000 2.178 588 D HA -0.026 4.354 4.640 -0.433 0.000 0.201 588 D C 2.359 178.347 176.300 -0.519 0.000 0.980 588 D CA 1.393 54.952 54.000 -0.735 0.000 0.842 588 D CB 0.015 40.444 40.800 -0.618 0.000 0.948 588 D HN 0.489 nan 8.370 nan 0.000 0.472 589 K N 0.068 120.253 120.400 -0.358 0.000 1.991 589 K HA -0.081 3.980 4.320 -0.433 0.000 0.212 589 K C 2.060 178.610 176.600 -0.082 0.000 1.049 589 K CA 0.910 57.090 56.287 -0.178 0.000 0.932 589 K CB -0.209 32.204 32.500 -0.146 0.000 0.717 589 K HN 0.103 nan 8.250 nan 0.000 0.441 590 I N 0.027 120.558 120.570 -0.065 0.000 2.252 590 I HA -0.245 3.665 4.170 -0.433 0.000 0.245 590 I C 2.447 178.595 176.117 0.053 0.000 1.102 590 I CA 1.054 62.408 61.300 0.090 0.000 1.385 590 I CB -0.064 38.051 38.000 0.191 0.000 1.064 590 I HN 0.271 nan 8.210 nan 0.000 0.414 591 M N -0.318 119.220 119.600 -0.104 0.000 2.123 591 M HA -0.188 4.032 4.480 -0.433 0.000 0.263 591 M C 1.731 178.040 176.300 0.016 0.000 1.069 591 M CA 1.856 57.099 55.300 -0.096 0.000 1.133 591 M CB -0.218 32.209 32.600 -0.289 0.000 1.356 591 M HN 0.259 nan 8.290 nan 0.000 0.415 592 H N -0.760 118.186 119.070 -0.208 0.000 2.547 592 H HA 0.189 4.485 4.556 -0.433 0.000 0.274 592 H C 1.659 176.997 175.328 0.016 0.000 1.024 592 H CA 0.033 55.932 56.048 -0.249 0.000 1.155 592 H CB 0.146 29.658 29.762 -0.416 0.000 1.344 592 H HN 0.466 nan 8.280 nan 0.000 0.598 593 A N 1.311 124.256 122.820 0.208 0.000 1.969 593 A HA -0.086 3.974 4.320 -0.433 0.000 0.218 593 A C 1.995 179.805 177.584 0.377 0.000 1.169 593 A CA 0.843 53.053 52.037 0.288 0.000 0.635 593 A CB -0.496 18.672 19.000 0.280 0.000 0.810 593 A HN 0.564 nan 8.150 nan 0.000 0.445 594 I N -2.944 117.803 120.570 0.294 0.000 3.861 594 I HA 0.158 4.068 4.170 -0.433 0.000 0.329 594 I C 0.400 176.596 176.117 0.132 0.000 1.321 594 I CA -0.443 60.956 61.300 0.166 0.000 1.126 594 I CB -0.524 37.560 38.000 0.139 0.000 1.018 594 I HN 0.182 nan 8.210 nan 0.000 0.407 595 N N 2.991 121.830 118.700 0.231 0.000 2.411 595 N HA -0.040 4.440 4.740 -0.433 0.000 0.261 595 N C 0.234 175.755 175.510 0.019 0.000 1.248 595 N CA 0.241 53.433 53.050 0.236 0.000 0.885 595 N CB 0.344 38.960 38.487 0.216 0.000 1.062 595 N HN 0.400 nan 8.380 nan 0.000 0.471 596 R N 0.436 120.915 120.500 -0.036 0.000 4.016 596 R HA -0.198 3.882 4.340 -0.433 0.000 0.385 596 R C -0.302 175.856 176.300 -0.237 0.000 1.158 596 R CA 1.572 57.575 56.100 -0.162 0.000 1.117 596 R CB -1.290 28.888 30.300 -0.203 0.000 1.635 596 R HN 0.787 nan 8.270 nan 0.000 0.560 597 R N 0.193 120.609 120.500 -0.140 0.000 2.638 597 R HA 0.285 4.366 4.340 -0.433 0.000 0.261 597 R C -0.583 175.701 176.300 -0.026 0.000 1.515 597 R CA -0.675 55.402 56.100 -0.039 0.000 1.623 597 R CB 0.321 30.560 30.300 -0.102 0.000 1.347 597 R HN -0.041 nan 8.270 nan 0.000 0.705 598 L N 1.257 122.458 121.223 -0.036 0.000 2.453 598 L HA 0.290 4.370 4.340 -0.433 0.000 0.272 598 L C 1.134 178.178 176.870 0.290 0.000 1.182 598 L CA 1.271 56.155 54.840 0.074 0.000 0.858 598 L CB 0.935 42.899 42.059 -0.158 0.000 1.120 598 L HN 0.926 nan 8.230 nan 0.000 0.474 599 G N 1.234 110.253 108.800 0.365 0.000 2.175 599 G HA2 -0.304 3.397 3.960 -0.433 0.000 0.244 599 G HA3 -0.304 3.397 3.960 -0.433 0.000 0.244 599 G C 0.557 175.504 174.900 0.078 0.000 0.982 599 G CA 0.506 45.762 45.100 0.260 0.000 0.641 599 G HN 0.730 nan 8.290 nan 0.000 0.527 600 T N -2.408 112.168 114.554 0.038 0.000 3.555 600 T HA 0.436 4.527 4.350 -0.433 0.000 0.201 600 T C 1.774 176.526 174.700 0.087 0.000 0.850 600 T CA 1.197 63.267 62.100 -0.051 0.000 1.646 600 T CB -0.251 68.427 68.868 -0.317 0.000 1.774 600 T HN 0.100 nan 8.240 nan 0.000 0.447 601 F N 3.342 123.346 119.950 0.089 0.000 2.126 601 F HA 0.064 4.332 4.527 -0.432 0.000 0.299 601 F C 2.836 178.687 175.800 0.086 0.000 1.096 601 F CA 1.048 59.089 58.000 0.069 0.000 1.255 601 F CB -0.912 38.122 39.000 0.056 0.000 0.997 601 F HN 0.517 nan 8.300 nan 0.000 0.479 602 E N 0.752 121.121 120.200 0.282 0.000 2.150 602 E HA -0.128 3.962 4.350 -0.433 0.000 0.193 602 E C 2.090 178.804 176.600 0.191 0.000 0.985 602 E CA 1.460 57.990 56.400 0.217 0.000 0.814 602 E CB -0.910 28.921 29.700 0.218 0.000 0.752 602 E HN 0.287 nan 8.360 nan 0.000 0.466 603 V N 1.387 121.391 119.914 0.150 0.000 2.346 603 V HA -0.171 3.689 4.120 -0.433 0.000 0.244 603 V C 2.336 178.485 176.094 0.093 0.000 1.037 603 V CA 1.955 64.299 62.300 0.073 0.000 1.029 603 V CB -0.555 31.258 31.823 -0.017 0.000 0.663 603 V HN 0.178 nan 8.190 nan 0.000 0.454 604 E N 0.150 120.428 120.200 0.130 0.000 2.118 604 E HA -0.249 3.842 4.350 -0.433 0.000 0.195 604 E C 1.887 178.568 176.600 0.135 0.000 0.992 604 E CA 1.605 58.085 56.400 0.134 0.000 0.804 604 E CB -0.133 29.679 29.700 0.188 0.000 0.741 604 E HN 0.557 nan 8.360 nan 0.000 0.458 605 D N -0.132 120.376 120.400 0.180 0.000 2.183 605 D HA -0.109 4.271 4.640 -0.433 0.000 0.203 605 D C 1.892 178.260 176.300 0.114 0.000 0.969 605 D CA 0.609 54.723 54.000 0.191 0.000 0.842 605 D CB -0.042 40.928 40.800 0.284 0.000 0.957 605 D HN 0.090 nan 8.370 nan 0.000 0.484 606 Q N 0.118 120.024 119.800 0.176 0.000 2.124 606 Q HA -0.059 4.021 4.340 -0.433 0.000 0.202 606 Q C 2.474 178.551 176.000 0.128 0.000 0.977 606 Q CA 0.591 56.499 55.803 0.175 0.000 0.850 606 Q CB -0.083 28.762 28.738 0.179 0.000 0.901 606 Q HN 0.414 nan 8.270 nan 0.000 0.429 607 I N 0.366 121.014 120.570 0.131 0.000 2.163 607 I HA -0.256 3.654 4.170 -0.433 0.000 0.240 607 I C 2.435 178.541 176.117 -0.019 0.000 1.081 607 I CA 1.219 62.624 61.300 0.175 0.000 1.353 607 I CB -0.191 37.900 38.000 0.152 0.000 1.054 607 I HN 0.151 nan 8.210 nan 0.000 0.407 608 E N 1.196 121.351 120.200 -0.075 0.000 2.110 608 E HA -0.224 3.867 4.350 -0.433 0.000 0.193 608 E C 2.118 178.493 176.600 -0.376 0.000 0.988 608 E CA 1.585 57.888 56.400 -0.162 0.000 0.804 608 E CB -0.113 29.541 29.700 -0.077 0.000 0.745 608 E HN 0.445 nan 8.360 nan 0.000 0.458 609 A N -0.521 121.941 122.820 -0.596 0.000 1.969 609 A HA -0.128 3.933 4.320 -0.433 0.000 0.218 609 A C 2.370 179.188 177.584 -1.275 0.000 1.169 609 A CA 1.834 53.189 52.037 -1.136 0.000 0.635 609 A CB -0.773 17.103 19.000 -1.873 0.000 0.810 609 A HN 0.340 nan 8.150 nan 0.000 0.445 610 T N -0.860 113.324 114.554 -0.617 0.000 2.857 610 T HA -0.079 4.011 4.350 -0.433 0.000 0.266 610 T C 2.048 176.558 174.700 -0.316 0.000 1.048 610 T CA 1.312 63.235 62.100 -0.296 0.000 1.139 610 T CB -0.169 68.681 68.868 -0.031 0.000 0.874 610 T HN 0.486 nan 8.240 nan 0.000 0.455 611 R N 0.695 121.003 120.500 -0.319 0.000 2.091 611 R HA -0.126 3.954 4.340 -0.433 0.000 0.238 611 R C 2.643 178.784 176.300 -0.265 0.000 1.136 611 R CA 1.504 57.453 56.100 -0.252 0.000 0.959 611 R CB -0.154 30.028 30.300 -0.197 0.000 0.856 611 R HN 0.309 nan 8.270 nan 0.000 0.437 612 Q N -0.985 118.580 119.800 -0.391 0.000 2.124 612 Q HA -0.128 3.952 4.340 -0.433 0.000 0.202 612 Q C 1.592 177.437 176.000 -0.258 0.000 0.977 612 Q CA 1.631 57.214 55.803 -0.367 0.000 0.850 612 Q CB -0.010 28.423 28.738 -0.508 0.000 0.901 612 Q HN 0.227 nan 8.270 nan 0.000 0.429 613 F N -0.271 119.524 119.950 -0.258 0.000 2.146 613 F HA -0.134 4.133 4.527 -0.434 0.000 0.298 613 F C 2.568 178.215 175.800 -0.256 0.000 1.096 613 F CA 1.247 59.098 58.000 -0.248 0.000 1.275 613 F CB -1.336 37.543 39.000 -0.201 0.000 1.008 613 F HN 0.133 nan 8.300 nan 0.000 0.480 614 S N -0.185 115.481 115.700 -0.057 0.000 2.447 614 S HA -0.141 4.069 4.470 -0.433 0.000 0.233 614 S C 1.901 176.414 174.600 -0.145 0.000 1.006 614 S CA 0.709 58.837 58.200 -0.120 0.000 0.957 614 S CB -0.446 62.666 63.200 -0.145 0.000 0.773 614 S HN 0.332 nan 8.310 nan 0.000 0.507 615 K N 0.464 120.779 120.400 -0.142 0.000 2.097 615 K HA 0.130 4.190 4.320 -0.433 0.000 0.205 615 K C 0.653 177.159 176.600 -0.156 0.000 1.050 615 K CA 0.481 56.691 56.287 -0.130 0.000 0.938 615 K CB -0.361 32.073 32.500 -0.111 0.000 0.718 615 K HN 0.486 nan 8.250 nan 0.000 0.442 616 M N 0.534 119.997 119.600 -0.227 0.000 2.260 616 M HA -0.064 4.156 4.480 -0.433 0.000 0.348 616 M C 1.479 177.518 176.300 -0.435 0.000 1.342 616 M CA 0.134 55.204 55.300 -0.382 0.000 1.040 616 M CB 0.790 32.960 32.600 -0.717 0.000 1.810 616 M HN 0.201 nan 8.290 nan 0.000 0.453 617 G N 3.137 111.796 108.800 -0.235 0.000 2.479 617 G HA2 -0.199 3.501 3.960 -0.433 0.000 0.220 617 G HA3 -0.199 3.501 3.960 -0.433 0.000 0.220 617 G C 0.825 175.701 174.900 -0.039 0.000 1.115 617 G CA 0.599 45.643 45.100 -0.093 0.000 0.757 617 G HN 0.850 nan 8.290 nan 0.000 0.560 618 F N -0.356 119.640 119.950 0.077 0.000 2.765 618 F HA 0.557 4.824 4.527 -0.433 0.000 0.302 618 F C 0.026 175.934 175.800 0.179 0.000 1.111 618 F CA -1.117 56.962 58.000 0.131 0.000 1.359 618 F CB -0.128 38.990 39.000 0.198 0.000 1.097 618 F HN -0.170 nan 8.300 nan 0.000 0.577 619 V N 1.998 121.840 119.914 -0.120 0.000 2.347 619 V HA 0.156 4.016 4.120 -0.433 0.000 0.280 619 V C -0.721 175.334 176.094 -0.066 0.000 1.021 619 V CA -0.839 61.428 62.300 -0.055 0.000 0.847 619 V CB 1.131 32.853 31.823 -0.168 0.000 0.990 619 V HN 0.071 nan 8.190 nan 0.000 0.444 620 D N 3.284 123.656 120.400 -0.048 0.000 2.338 620 D HA 0.068 4.448 4.640 -0.433 0.000 0.255 620 D C 1.043 177.284 176.300 -0.099 0.000 1.237 620 D CA -0.253 53.695 54.000 -0.086 0.000 0.883 620 D CB 1.209 41.942 40.800 -0.111 0.000 1.087 620 D HN 0.746 nan 8.370 nan 0.000 0.485 621 D N 2.331 122.676 120.400 -0.091 0.000 2.348 621 D HA -0.130 4.250 4.640 -0.433 0.000 0.216 621 D C 1.225 177.481 176.300 -0.074 0.000 0.970 621 D CA 0.815 54.758 54.000 -0.094 0.000 0.889 621 D CB 0.119 40.863 40.800 -0.093 0.000 0.912 621 D HN 0.314 nan 8.370 nan 0.000 0.524 622 K N -0.234 120.128 120.400 -0.064 0.000 2.167 622 K HA 0.109 4.169 4.320 -0.433 0.000 0.203 622 K C 0.521 177.115 176.600 -0.009 0.000 1.052 622 K CA 0.570 56.837 56.287 -0.034 0.000 0.956 622 K CB 0.262 32.741 32.500 -0.035 0.000 0.735 622 K HN 0.038 nan 8.250 nan 0.000 0.451 623 R N 1.035 121.494 120.500 -0.069 0.000 2.587 623 R HA 0.351 4.432 4.340 -0.433 0.000 0.283 623 R C -1.004 175.238 176.300 -0.097 0.000 1.472 623 R CA -0.109 55.934 56.100 -0.095 0.000 1.578 623 R CB 0.619 30.667 30.300 -0.421 0.000 1.130 623 R HN 0.016 nan 8.270 nan 0.000 0.602 624 I N 1.459 122.125 120.570 0.160 0.000 2.418 624 I HA 0.505 4.416 4.170 -0.433 0.000 0.287 624 I C -0.155 176.247 176.117 0.476 0.000 1.008 624 I CA -0.670 60.757 61.300 0.212 0.000 1.104 624 I CB 1.935 39.899 38.000 -0.061 0.000 1.264 624 I HN 0.415 nan 8.210 nan 0.000 0.438 625 A N 6.960 130.160 122.820 0.633 0.000 2.387 625 A HA 0.919 4.980 4.320 -0.433 0.000 0.303 625 A C -1.184 176.765 177.584 0.607 0.000 1.145 625 A CA -0.628 51.755 52.037 0.578 0.000 0.801 625 A CB 1.936 21.142 19.000 0.342 0.000 1.342 625 A HN 0.706 nan 8.150 nan 0.000 0.440 626 I N 0.779 121.615 120.570 0.442 0.000 2.607 626 I HA 0.665 4.576 4.170 -0.433 0.000 0.290 626 I C -1.746 174.603 176.117 0.387 0.000 1.129 626 I CA -0.427 61.058 61.300 0.309 0.000 1.042 626 I CB 1.376 39.284 38.000 -0.154 0.000 1.242 626 I HN 0.885 nan 8.210 nan 0.000 0.421 627 W N 7.747 129.176 121.300 0.215 0.000 3.127 627 W HA 0.876 5.274 4.660 -0.438 0.000 0.330 627 W C -1.453 175.210 176.519 0.241 0.000 1.187 627 W CA -1.045 56.438 57.345 0.229 0.000 1.198 627 W CB 1.455 31.106 29.460 0.318 0.000 1.408 627 W HN 0.804 nan 8.180 nan 0.000 0.529 628 G N 1.674 110.323 108.800 -0.252 0.000 2.673 628 G HA2 0.455 4.156 3.960 -0.433 0.000 0.292 628 G HA3 0.455 4.156 3.960 -0.433 0.000 0.292 628 G C -2.723 172.018 174.900 -0.266 0.000 1.450 628 G CA -0.712 44.102 45.100 -0.477 0.000 0.837 628 G HN 0.560 nan 8.290 nan 0.000 0.505 629 W N 1.950 123.060 121.300 -0.317 0.000 2.573 629 W HA 0.484 4.887 4.660 -0.428 0.000 0.326 629 W C 1.241 177.767 176.519 0.011 0.000 1.049 629 W CA 0.311 57.589 57.345 -0.111 0.000 1.220 629 W CB 1.659 31.075 29.460 -0.073 0.000 1.373 629 W HN 1.529 nan 8.180 nan 0.000 0.507 630 S N 3.373 119.257 115.700 0.307 0.000 4.157 630 S HA -0.475 3.735 4.470 -0.433 0.000 0.539 630 S C 1.180 175.838 174.600 0.096 0.000 1.854 630 S CA 1.946 60.320 58.200 0.290 0.000 4.235 630 S CB -1.719 61.819 63.200 0.562 0.000 0.383 630 S HN 0.728 nan 8.310 nan 0.000 0.457 631 Y N 3.525 123.758 120.300 -0.111 0.000 2.224 631 Y HA 0.162 4.453 4.550 -0.431 0.000 0.289 631 Y C 2.858 178.611 175.900 -0.245 0.000 1.146 631 Y CA 2.258 60.183 58.100 -0.291 0.000 1.182 631 Y CB -1.116 36.969 38.460 -0.625 0.000 0.983 631 Y HN 0.706 nan 8.280 nan 0.000 0.524 632 G N -0.881 107.850 108.800 -0.115 0.000 2.450 632 G HA2 -0.258 3.442 3.960 -0.433 0.000 0.220 632 G HA3 -0.258 3.442 3.960 -0.433 0.000 0.220 632 G C 1.900 176.791 174.900 -0.016 0.000 1.130 632 G CA 0.817 45.917 45.100 -0.001 0.000 0.760 632 G HN 0.575 nan 8.290 nan 0.000 0.557 633 G N -0.323 108.473 108.800 -0.007 0.000 2.403 633 G HA2 -0.193 3.508 3.960 -0.433 0.000 0.216 633 G HA3 -0.193 3.508 3.960 -0.433 0.000 0.216 633 G C 1.591 176.494 174.900 0.005 0.000 1.154 633 G CA 1.021 46.123 45.100 0.003 0.000 0.784 633 G HN 0.432 nan 8.290 nan 0.000 0.538 634 Y N 1.479 121.654 120.300 -0.208 0.000 2.145 634 Y HA -0.132 4.157 4.550 -0.435 0.000 0.286 634 Y C 2.744 178.517 175.900 -0.211 0.000 1.145 634 Y CA 1.635 59.556 58.100 -0.297 0.000 1.148 634 Y CB -0.440 37.667 38.460 -0.589 0.000 0.981 634 Y HN 0.029 nan 8.280 nan 0.000 0.507 635 V N -0.169 119.581 119.914 -0.274 0.000 2.295 635 V HA -0.348 3.512 4.120 -0.433 0.000 0.246 635 V C 2.324 178.292 176.094 -0.211 0.000 1.049 635 V CA 2.462 64.614 62.300 -0.246 0.000 1.024 635 V CB -1.341 30.476 31.823 -0.009 0.000 0.648 635 V HN 0.492 nan 8.190 nan 0.000 0.447 636 T N 0.219 114.704 114.554 -0.115 0.000 2.624 636 T HA -0.245 3.845 4.350 -0.433 0.000 0.268 636 T C 2.124 176.763 174.700 -0.101 0.000 1.041 636 T CA 2.188 64.241 62.100 -0.078 0.000 1.159 636 T CB -0.369 68.534 68.868 0.057 0.000 0.863 636 T HN 0.549 nan 8.240 nan 0.000 0.434 637 S N 1.109 116.780 115.700 -0.048 0.000 2.356 637 S HA -0.046 4.164 4.470 -0.433 0.000 0.223 637 S C 2.166 176.667 174.600 -0.165 0.000 1.032 637 S CA 1.062 59.252 58.200 -0.016 0.000 1.005 637 S CB -0.333 62.900 63.200 0.054 0.000 0.867 637 S HN 0.311 nan 8.310 nan 0.000 0.449 638 M N 1.021 120.436 119.600 -0.308 0.000 2.159 638 M HA -0.030 4.190 4.480 -0.433 0.000 0.263 638 M C 2.244 178.371 176.300 -0.290 0.000 1.063 638 M CA 1.031 56.130 55.300 -0.335 0.000 1.110 638 M CB -1.487 30.809 32.600 -0.507 0.000 1.374 638 M HN 0.173 nan 8.290 nan 0.000 0.411 639 V N 0.590 120.325 119.914 -0.298 0.000 2.343 639 V HA -0.238 3.622 4.120 -0.433 0.000 0.247 639 V C 2.462 178.342 176.094 -0.356 0.000 1.051 639 V CA 1.427 63.544 62.300 -0.305 0.000 1.036 639 V CB -0.578 30.991 31.823 -0.424 0.000 0.654 639 V HN 0.410 nan 8.190 nan 0.000 0.451 640 L N 0.196 121.145 121.223 -0.456 0.000 2.376 640 L HA 0.028 4.108 4.340 -0.433 0.000 0.219 640 L C 2.177 178.455 176.870 -0.987 0.000 1.133 640 L CA 1.174 55.648 54.840 -0.611 0.000 0.816 640 L CB -0.585 41.112 42.059 -0.604 0.000 0.933 640 L HN 0.467 nan 8.230 nan 0.000 0.449 641 G N -1.313 106.959 108.800 -0.879 0.000 3.189 641 G HA2 0.184 3.884 3.960 -0.433 0.000 0.225 641 G HA3 0.184 3.884 3.960 -0.433 0.000 0.225 641 G C 1.488 176.210 174.900 -0.297 0.000 1.159 641 G CA 0.543 45.249 45.100 -0.656 0.000 0.763 641 G HN 0.350 nan 8.290 nan 0.000 0.549 642 A N 0.103 122.773 122.820 -0.250 0.000 1.970 642 A HA 0.433 4.493 4.320 -0.433 0.000 0.216 642 A C 2.097 179.629 177.584 -0.087 0.000 1.170 642 A CA 1.521 53.481 52.037 -0.128 0.000 0.645 642 A CB -0.431 18.519 19.000 -0.084 0.000 0.816 642 A HN 1.494 nan 8.150 nan 0.000 0.447 643 G N -0.464 108.276 108.800 -0.099 0.000 2.149 643 G HA2 -0.246 3.454 3.960 -0.433 0.000 0.235 643 G HA3 -0.246 3.454 3.960 -0.433 0.000 0.235 643 G C 0.938 175.826 174.900 -0.019 0.000 1.018 643 G CA 1.222 46.288 45.100 -0.056 0.000 0.728 643 G HN 1.460 nan 8.290 nan 0.000 0.508 644 S N -0.934 114.770 115.700 0.007 0.000 2.461 644 S HA 0.337 4.547 4.470 -0.433 0.000 0.228 644 S C 2.552 177.163 174.600 0.018 0.000 1.005 644 S CA 1.575 59.794 58.200 0.031 0.000 0.942 644 S CB -0.067 63.190 63.200 0.094 0.000 0.776 644 S HN 2.383 nan 8.310 nan 0.000 0.514 645 G N 0.389 109.204 108.800 0.026 0.000 2.220 645 G HA2 -0.333 3.367 3.960 -0.433 0.000 0.269 645 G HA3 -0.333 3.367 3.960 -0.433 0.000 0.269 645 G C 0.874 175.768 174.900 -0.011 0.000 0.977 645 G CA 0.540 45.646 45.100 0.011 0.000 0.634 645 G HN 0.664 nan 8.290 nan 0.000 0.539 646 V N -0.274 119.619 119.914 -0.035 0.000 2.307 646 V HA 0.161 4.021 4.120 -0.433 0.000 0.245 646 V C 1.395 177.314 176.094 -0.292 0.000 1.045 646 V CA 1.793 63.955 62.300 -0.230 0.000 1.024 646 V CB -0.424 31.152 31.823 -0.412 0.000 0.651 646 V HN 0.306 nan 8.190 nan 0.000 0.449 647 F N 0.143 120.110 119.950 0.029 0.000 2.410 647 F HA 0.364 4.633 4.527 -0.430 0.000 0.349 647 F C 1.175 177.020 175.800 0.076 0.000 1.117 647 F CA -0.336 57.706 58.000 0.071 0.000 1.104 647 F CB 1.053 40.096 39.000 0.072 0.000 1.122 647 F HN -0.207 nan 8.300 nan 0.000 0.483 648 K N 1.919 122.478 120.400 0.265 0.000 2.116 648 K HA 0.051 4.112 4.320 -0.433 0.000 0.203 648 K C -0.021 176.711 176.600 0.220 0.000 1.052 648 K CA 0.965 57.375 56.287 0.204 0.000 0.952 648 K CB 0.205 32.822 32.500 0.196 0.000 0.729 648 K HN 0.816 nan 8.250 nan 0.000 0.446 649 c N -3.272 115.497 118.600 0.281 0.000 3.306 649 c HA 0.858 5.168 4.570 -0.433 0.000 0.335 649 c C -0.318 173.993 174.090 0.367 0.000 1.382 649 c CA -0.657 55.854 56.329 0.304 0.000 1.254 649 c CB 1.158 43.777 42.510 0.182 0.000 1.555 649 c HN 0.327 nan 8.230 nan 0.000 0.463 650 G N 0.034 109.116 108.800 0.470 0.000 2.673 650 G HA2 0.697 4.397 3.960 -0.433 0.000 0.292 650 G HA3 0.697 4.397 3.960 -0.433 0.000 0.292 650 G C -1.986 173.159 174.900 0.408 0.000 1.450 650 G CA -0.709 44.648 45.100 0.429 0.000 0.837 650 G HN 1.008 nan 8.290 nan 0.000 0.505 651 I N 0.914 121.688 120.570 0.340 0.000 2.406 651 I HA 0.618 4.528 4.170 -0.433 0.000 0.290 651 I C 0.306 176.555 176.117 0.219 0.000 0.999 651 I CA -0.885 60.504 61.300 0.148 0.000 1.124 651 I CB 2.207 40.283 38.000 0.127 0.000 1.289 651 I HN 0.628 nan 8.210 nan 0.000 0.441 652 A N 6.557 129.407 122.820 0.049 0.000 2.287 652 A HA 0.764 4.824 4.320 -0.433 0.000 0.317 652 A C -0.684 176.843 177.584 -0.094 0.000 1.220 652 A CA -0.514 51.558 52.037 0.059 0.000 0.835 652 A CB 0.995 20.104 19.000 0.182 0.000 1.180 652 A HN 0.454 nan 8.150 nan 0.000 0.500 653 V N 2.238 122.050 119.914 -0.171 0.000 2.370 653 V HA 0.557 4.417 4.120 -0.433 0.000 0.283 653 V C 0.959 176.748 176.094 -0.508 0.000 1.023 653 V CA 0.345 62.376 62.300 -0.449 0.000 0.857 653 V CB 0.758 32.077 31.823 -0.840 0.000 0.985 653 V HN 2.062 nan 8.190 nan 0.000 0.443 654 A N 5.674 128.188 122.820 -0.510 0.000 2.511 654 A HA -0.104 3.956 4.320 -0.433 0.000 0.297 654 A C -1.913 175.555 177.584 -0.192 0.000 1.476 654 A CA 0.422 52.054 52.037 -0.675 0.000 0.757 654 A CB -1.566 17.117 19.000 -0.528 0.000 1.072 654 A HN 0.608 nan 8.150 nan 0.000 0.413 655 P HA 0.457 nan 4.420 nan 0.000 0.284 655 P C 0.183 177.470 177.300 -0.022 0.000 1.258 655 P CA -0.320 62.776 63.100 -0.006 0.000 0.824 655 P CB 1.306 33.022 31.700 0.027 0.000 1.038 656 V N 2.265 122.046 119.914 -0.222 0.000 2.655 656 V HA 0.039 3.899 4.120 -0.433 0.000 0.300 656 V C 1.769 177.686 176.094 -0.296 0.000 1.044 656 V CA 1.127 63.152 62.300 -0.459 0.000 1.095 656 V CB 0.465 31.574 31.823 -1.189 0.000 0.952 656 V HN 0.835 nan 8.190 nan 0.000 0.485 657 S N 2.751 118.324 115.700 -0.212 0.000 2.575 657 S HA 0.266 4.476 4.470 -0.433 0.000 0.230 657 S C 0.389 174.886 174.600 -0.171 0.000 1.062 657 S CA -0.221 57.924 58.200 -0.091 0.000 0.913 657 S CB 0.325 63.518 63.200 -0.012 0.000 0.837 657 S HN 0.664 nan 8.310 nan 0.000 0.487 658 K N -0.573 119.653 120.400 -0.289 0.000 2.553 658 K HA 0.306 4.367 4.320 -0.433 0.000 0.250 658 K C -1.153 175.246 176.600 -0.336 0.000 0.953 658 K CA -0.687 55.378 56.287 -0.371 0.000 0.800 658 K CB 0.980 33.098 32.500 -0.637 0.000 1.243 658 K HN 0.207 nan 8.250 nan 0.000 0.435 659 W N 2.052 123.305 121.300 -0.079 0.000 2.519 659 W HA -0.019 4.386 4.660 -0.425 0.000 0.266 659 W C 1.303 177.966 176.519 0.241 0.000 1.253 659 W CA 0.351 57.719 57.345 0.039 0.000 1.274 659 W CB 0.464 29.858 29.460 -0.109 0.000 1.114 659 W HN 0.780 nan 8.180 nan 0.000 0.596 660 E N -0.882 119.535 120.200 0.362 0.000 2.333 660 E HA -0.207 3.884 4.350 -0.433 0.000 0.198 660 E C 1.354 178.109 176.600 0.258 0.000 1.007 660 E CA 0.993 57.528 56.400 0.224 0.000 0.845 660 E CB -0.184 29.519 29.700 0.004 0.000 0.766 660 E HN 0.339 nan 8.360 nan 0.000 0.507 661 Y N -1.557 118.873 120.300 0.216 0.000 2.490 661 Y HA 0.043 4.346 4.550 -0.413 0.000 0.285 661 Y C 0.660 176.700 175.900 0.233 0.000 1.117 661 Y CA -0.155 58.037 58.100 0.153 0.000 1.262 661 Y CB -0.367 38.123 38.460 0.052 0.000 1.043 661 Y HN 0.016 nan 8.280 nan 0.000 0.553 662 Y N 2.015 122.519 120.300 0.340 0.000 2.326 662 Y HA 0.263 4.550 4.550 -0.438 0.000 0.324 662 Y C 0.443 176.594 175.900 0.418 0.000 1.291 662 Y CA -2.009 56.305 58.100 0.356 0.000 1.348 662 Y CB 0.314 39.036 38.460 0.436 0.000 1.294 662 Y HN 0.201 nan 8.280 nan 0.000 0.525 663 D N -0.437 119.765 120.400 -0.330 0.000 2.362 663 D HA 0.061 4.442 4.640 -0.433 0.000 0.238 663 D C 0.967 177.248 176.300 -0.031 0.000 1.212 663 D CA 0.421 54.245 54.000 -0.295 0.000 0.902 663 D CB 0.663 41.015 40.800 -0.747 0.000 1.180 663 D HN 0.475 nan 8.370 nan 0.000 0.445 664 S N 0.509 116.186 115.700 -0.039 0.000 2.348 664 S HA -0.203 4.007 4.470 -0.433 0.000 0.221 664 S C 1.952 176.562 174.600 0.017 0.000 1.033 664 S CA 1.105 59.330 58.200 0.041 0.000 1.010 664 S CB -1.005 62.227 63.200 0.053 0.000 0.891 664 S HN 0.430 nan 8.310 nan 0.000 0.442 665 V N 0.912 120.773 119.914 -0.087 0.000 2.255 665 V HA -0.186 3.674 4.120 -0.433 0.000 0.247 665 V C 2.309 178.316 176.094 -0.144 0.000 1.051 665 V CA 2.252 64.423 62.300 -0.215 0.000 1.018 665 V CB -1.099 30.424 31.823 -0.500 0.000 0.641 665 V HN 0.585 nan 8.190 nan 0.000 0.445 666 Y N 1.283 121.510 120.300 -0.122 0.000 2.133 666 Y HA -0.229 4.063 4.550 -0.430 0.000 0.287 666 Y C 2.720 178.572 175.900 -0.080 0.000 1.134 666 Y CA 2.344 60.437 58.100 -0.010 0.000 1.133 666 Y CB -0.463 38.202 38.460 0.340 0.000 0.987 666 Y HN 0.234 nan 8.280 nan 0.000 0.502 667 T N 0.162 114.836 114.554 0.200 0.000 2.701 667 T HA -0.185 3.905 4.350 -0.433 0.000 0.263 667 T C 1.566 176.180 174.700 -0.143 0.000 1.040 667 T CA 1.849 63.984 62.100 0.057 0.000 1.147 667 T CB -0.346 68.733 68.868 0.351 0.000 0.865 667 T HN 0.396 nan 8.240 nan 0.000 0.426 668 E N 0.637 120.809 120.200 -0.046 0.000 2.204 668 E HA -0.133 3.957 4.350 -0.433 0.000 0.195 668 E C 2.312 178.788 176.600 -0.207 0.000 0.990 668 E CA 0.630 57.004 56.400 -0.044 0.000 0.821 668 E CB -0.129 29.587 29.700 0.028 0.000 0.750 668 E HN 0.313 nan 8.360 nan 0.000 0.477 669 R N 0.084 120.320 120.500 -0.439 0.000 2.096 669 R HA -0.216 3.864 4.340 -0.433 0.000 0.240 669 R C 1.350 177.176 176.300 -0.790 0.000 1.139 669 R CA 1.812 57.478 56.100 -0.724 0.000 0.952 669 R CB -0.110 29.428 30.300 -1.270 0.000 0.854 669 R HN 0.243 nan 8.270 nan 0.000 0.436 670 Y N -2.294 117.682 120.300 -0.539 0.000 2.507 670 Y HA 0.242 4.532 4.550 -0.434 0.000 0.263 670 Y C 1.618 177.309 175.900 -0.348 0.000 1.093 670 Y CA 0.030 57.796 58.100 -0.556 0.000 1.285 670 Y CB 0.480 38.458 38.460 -0.804 0.000 1.115 670 Y HN 0.001 nan 8.280 nan 0.000 0.533 671 M N -0.681 118.785 119.600 -0.224 0.000 2.292 671 M HA 0.368 4.589 4.480 -0.433 0.000 0.286 671 M C 1.110 177.414 176.300 0.007 0.000 1.002 671 M CA 0.727 55.893 55.300 -0.223 0.000 1.029 671 M CB -0.073 32.194 32.600 -0.554 0.000 1.537 671 M HN 0.330 nan 8.290 nan 0.000 0.543 672 G N 1.965 110.777 108.800 0.020 0.000 2.569 672 G HA2 -0.261 3.439 3.960 -0.433 0.000 0.259 672 G HA3 -0.261 3.439 3.960 -0.433 0.000 0.259 672 G C -0.423 174.582 174.900 0.175 0.000 1.263 672 G CA -0.602 44.545 45.100 0.078 0.000 0.928 672 G HN 0.357 nan 8.290 nan 0.000 0.572 673 L N 2.092 123.382 121.223 0.112 0.000 2.334 673 L HA 0.448 4.529 4.340 -0.433 0.000 0.277 673 L C -1.474 175.349 176.870 -0.079 0.000 1.075 673 L CA -1.759 53.097 54.840 0.028 0.000 0.804 673 L CB 1.960 44.014 42.059 -0.009 0.000 1.174 673 L HN 0.431 nan 8.230 nan 0.000 0.438 674 P HA 0.089 nan 4.420 nan 0.000 0.214 674 P C -0.591 176.544 177.300 -0.276 0.000 1.807 674 P CA -0.198 62.473 63.100 -0.714 0.000 0.921 674 P CB -0.401 30.577 31.700 -1.204 0.000 1.835 675 T N -2.885 111.595 114.554 -0.124 0.000 2.918 675 T HA 0.438 4.528 4.350 -0.433 0.000 0.286 675 T C -1.895 172.797 174.700 -0.014 0.000 1.026 675 T CA -2.474 59.590 62.100 -0.060 0.000 1.031 675 T CB 1.736 70.579 68.868 -0.040 0.000 1.046 675 T HN -0.194 nan 8.240 nan 0.000 0.479 676 P HA -0.081 nan 4.420 nan 0.000 0.219 676 P C 0.773 178.086 177.300 0.022 0.000 1.146 676 P CA 1.061 64.171 63.100 0.017 0.000 0.808 676 P CB 0.128 31.834 31.700 0.010 0.000 0.779 677 E N -0.868 119.338 120.200 0.011 0.000 2.347 677 E HA -0.094 3.996 4.350 -0.433 0.000 0.196 677 E C 1.408 178.019 176.600 0.018 0.000 1.008 677 E CA 0.789 57.196 56.400 0.011 0.000 0.852 677 E CB -0.200 29.501 29.700 0.002 0.000 0.783 677 E HN 0.303 nan 8.360 nan 0.000 0.505 678 D N -0.655 119.760 120.400 0.025 0.000 3.300 678 D HA 0.109 4.489 4.640 -0.433 0.000 0.214 678 D C 0.087 176.430 176.300 0.072 0.000 1.227 678 D CA -0.123 53.899 54.000 0.037 0.000 1.341 678 D CB 0.069 40.888 40.800 0.031 0.000 0.921 678 D HN -0.070 nan 8.370 nan 0.000 0.175 679 N N 0.408 119.181 118.700 0.121 0.000 2.433 679 N HA 0.048 4.528 4.740 -0.433 0.000 0.270 679 N C 1.051 176.771 175.510 0.349 0.000 1.354 679 N CA -0.093 53.083 53.050 0.210 0.000 0.889 679 N CB 0.760 39.360 38.487 0.189 0.000 1.285 679 N HN 0.028 nan 8.380 nan 0.000 0.503 680 L N 1.023 122.369 121.223 0.205 0.000 2.079 680 L HA -0.128 3.952 4.340 -0.433 0.000 0.210 680 L C 1.589 178.593 176.870 0.223 0.000 1.081 680 L CA 1.922 56.862 54.840 0.167 0.000 0.752 680 L CB -0.342 41.743 42.059 0.044 0.000 0.896 680 L HN 0.186 nan 8.230 nan 0.000 0.433 681 D N -1.268 119.251 120.400 0.199 0.000 2.123 681 D HA -0.249 4.131 4.640 -0.433 0.000 0.196 681 D C 1.959 178.327 176.300 0.114 0.000 0.992 681 D CA 1.726 55.809 54.000 0.139 0.000 0.833 681 D CB -0.170 40.710 40.800 0.134 0.000 0.954 681 D HN 0.442 nan 8.370 nan 0.000 0.455 682 Y N -0.672 119.689 120.300 0.101 0.000 2.519 682 Y HA -0.063 4.227 4.550 -0.433 0.000 0.287 682 Y C 1.963 177.904 175.900 0.068 0.000 1.128 682 Y CA 0.317 58.451 58.100 0.056 0.000 1.282 682 Y CB -0.275 38.187 38.460 0.004 0.000 1.027 682 Y HN 0.032 nan 8.280 nan 0.000 0.551 683 Y N -0.433 119.972 120.300 0.174 0.000 2.220 683 Y HA -0.160 4.129 4.550 -0.435 0.000 0.291 683 Y C 2.420 178.378 175.900 0.096 0.000 1.129 683 Y CA 1.275 59.463 58.100 0.147 0.000 1.161 683 Y CB -0.042 38.483 38.460 0.108 0.000 0.997 683 Y HN -0.106 nan 8.280 nan 0.000 0.522 684 R N 0.282 120.909 120.500 0.211 0.000 2.073 684 R HA -0.109 3.971 4.340 -0.433 0.000 0.229 684 R C 1.390 177.718 176.300 0.047 0.000 1.120 684 R CA 1.424 57.583 56.100 0.099 0.000 0.967 684 R CB -0.487 29.849 30.300 0.060 0.000 0.862 684 R HN 0.429 nan 8.270 nan 0.000 0.436 685 N N 0.315 119.022 118.700 0.012 0.000 2.313 685 N HA -0.043 4.437 4.740 -0.433 0.000 0.207 685 N C 0.339 175.847 175.510 -0.003 0.000 1.141 685 N CA 0.475 53.505 53.050 -0.033 0.000 0.830 685 N CB 0.499 38.918 38.487 -0.113 0.000 1.008 685 N HN 0.049 nan 8.380 nan 0.000 0.481 686 S N -1.641 114.103 115.700 0.073 0.000 2.603 686 S HA 0.054 4.264 4.470 -0.433 0.000 0.232 686 S C 0.668 175.384 174.600 0.193 0.000 1.016 686 S CA -0.301 57.995 58.200 0.160 0.000 0.976 686 S CB -0.529 62.831 63.200 0.267 0.000 0.921 686 S HN 0.352 nan 8.310 nan 0.000 0.516 687 T N -0.028 114.583 114.554 0.094 0.000 2.898 687 T HA 0.410 4.500 4.350 -0.433 0.000 0.301 687 T C 1.388 176.101 174.700 0.022 0.000 1.049 687 T CA -0.382 61.741 62.100 0.039 0.000 1.095 687 T CB 1.107 69.961 68.868 -0.022 0.000 0.976 687 T HN -0.017 nan 8.240 nan 0.000 0.539 688 V N 2.338 122.254 119.914 0.003 0.000 2.548 688 V HA -0.124 3.737 4.120 -0.433 0.000 0.249 688 V C 2.587 178.655 176.094 -0.044 0.000 1.055 688 V CA 1.491 63.775 62.300 -0.027 0.000 1.065 688 V CB -1.050 30.743 31.823 -0.050 0.000 0.681 688 V HN 0.826 nan 8.190 nan 0.000 0.462 689 M N 1.358 120.917 119.600 -0.069 0.000 2.202 689 M HA -0.152 4.068 4.480 -0.433 0.000 0.262 689 M C 2.345 178.618 176.300 -0.045 0.000 1.063 689 M CA 2.042 57.292 55.300 -0.082 0.000 1.097 689 M CB -0.935 31.626 32.600 -0.065 0.000 1.382 689 M HN 0.525 nan 8.290 nan 0.000 0.413 690 S N -0.196 115.490 115.700 -0.024 0.000 2.474 690 S HA -0.082 4.129 4.470 -0.433 0.000 0.235 690 S C 1.709 176.307 174.600 -0.004 0.000 0.997 690 S CA 0.756 58.947 58.200 -0.014 0.000 0.949 690 S CB -0.287 62.906 63.200 -0.013 0.000 0.766 690 S HN 0.524 nan 8.310 nan 0.000 0.517 691 R N 0.102 120.612 120.500 0.016 0.000 2.586 691 R HA 0.511 4.591 4.340 -0.433 0.000 0.336 691 R C 1.840 178.231 176.300 0.152 0.000 1.060 691 R CA 0.429 56.556 56.100 0.046 0.000 1.079 691 R CB 0.051 30.361 30.300 0.016 0.000 1.317 691 R HN 0.432 nan 8.270 nan 0.000 0.568 692 A N 1.030 123.898 122.820 0.080 0.000 1.940 692 A HA -0.226 3.835 4.320 -0.433 0.000 0.219 692 A C 1.963 179.619 177.584 0.121 0.000 1.176 692 A CA 1.597 53.661 52.037 0.045 0.000 0.631 692 A CB -0.139 18.802 19.000 -0.098 0.000 0.814 692 A HN 0.219 nan 8.150 nan 0.000 0.446 693 E N 0.741 120.983 120.200 0.070 0.000 2.118 693 E HA -0.167 3.924 4.350 -0.433 0.000 0.195 693 E C 1.425 178.064 176.600 0.066 0.000 0.992 693 E CA 1.725 58.158 56.400 0.055 0.000 0.804 693 E CB -0.541 29.175 29.700 0.026 0.000 0.741 693 E HN 0.780 nan 8.360 nan 0.000 0.458 694 N N -1.209 117.521 118.700 0.050 0.000 2.521 694 N HA -0.003 4.477 4.740 -0.433 0.000 0.188 694 N C 0.475 175.934 175.510 -0.086 0.000 1.146 694 N CA -0.078 52.953 53.050 -0.031 0.000 0.893 694 N CB -0.017 38.411 38.487 -0.098 0.000 0.975 694 N HN 0.105 nan 8.380 nan 0.000 0.451 695 F N 1.185 121.086 119.950 -0.082 0.000 2.710 695 F HA 0.118 4.390 4.527 -0.425 0.000 0.298 695 F C 1.884 177.683 175.800 -0.002 0.000 1.137 695 F CA 0.448 58.395 58.000 -0.089 0.000 1.444 695 F CB 0.256 39.149 39.000 -0.178 0.000 1.111 695 F HN -0.069 nan 8.300 nan 0.000 0.580 696 K N 0.034 120.526 120.400 0.154 0.000 2.209 696 K HA -0.188 3.872 4.320 -0.433 0.000 0.204 696 K C 1.671 178.333 176.600 0.104 0.000 1.048 696 K CA 1.163 57.527 56.287 0.128 0.000 0.940 696 K CB -0.224 32.329 32.500 0.090 0.000 0.729 696 K HN 0.379 nan 8.250 nan 0.000 0.451 697 Q N 0.392 120.233 119.800 0.067 0.000 2.212 697 Q HA -0.027 4.053 4.340 -0.433 0.000 0.199 697 Q C 0.978 177.027 176.000 0.082 0.000 0.950 697 Q CA 0.443 56.279 55.803 0.056 0.000 0.863 697 Q CB 0.188 28.940 28.738 0.023 0.000 0.944 697 Q HN 0.203 nan 8.270 nan 0.000 0.465 698 V N -1.513 118.454 119.914 0.089 0.000 2.837 698 V HA 0.348 4.209 4.120 -0.433 0.000 0.310 698 V C -0.392 175.853 176.094 0.252 0.000 1.059 698 V CA -1.007 61.376 62.300 0.138 0.000 1.004 698 V CB 1.742 33.604 31.823 0.064 0.000 1.045 698 V HN 0.027 nan 8.190 nan 0.000 0.465 699 E N 2.270 122.646 120.200 0.293 0.000 2.089 699 E HA 0.307 4.397 4.350 -0.433 0.000 0.284 699 E C -1.683 175.303 176.600 0.642 0.000 1.023 699 E CA -0.302 56.342 56.400 0.406 0.000 0.819 699 E CB 1.173 31.030 29.700 0.262 0.000 1.076 699 E HN 0.711 nan 8.360 nan 0.000 0.396 700 Y N 3.726 124.295 120.300 0.449 0.000 2.341 700 Y HA 0.361 4.652 4.550 -0.432 0.000 0.337 700 Y C -1.152 174.838 175.900 0.150 0.000 1.014 700 Y CA -1.167 57.150 58.100 0.362 0.000 1.111 700 Y CB 0.802 39.520 38.460 0.430 0.000 1.194 700 Y HN 0.414 nan 8.280 nan 0.000 0.462 701 L N 8.074 128.973 121.223 -0.539 0.000 2.316 701 L HA 0.445 4.525 4.340 -0.433 0.000 0.280 701 L C -1.500 174.871 176.870 -0.832 0.000 1.006 701 L CA -0.702 53.659 54.840 -0.799 0.000 0.836 701 L CB 0.998 42.310 42.059 -1.245 0.000 1.221 701 L HN 0.623 nan 8.230 nan 0.000 0.418 702 L N 6.368 127.195 121.223 -0.660 0.000 2.287 702 L HA 0.557 4.638 4.340 -0.433 0.000 0.287 702 L C -0.809 175.937 176.870 -0.207 0.000 1.022 702 L CA -0.468 54.102 54.840 -0.451 0.000 0.814 702 L CB 1.519 43.423 42.059 -0.258 0.000 1.217 702 L HN 0.589 nan 8.230 nan 0.000 0.420 703 I N 4.162 124.636 120.570 -0.160 0.000 2.465 703 I HA 0.464 4.374 4.170 -0.433 0.000 0.291 703 I C -0.733 175.391 176.117 0.012 0.000 1.014 703 I CA -0.643 60.610 61.300 -0.077 0.000 1.093 703 I CB 1.858 39.773 38.000 -0.140 0.000 1.267 703 I HN 0.506 nan 8.210 nan 0.000 0.431 704 H N 3.152 122.292 119.070 0.116 0.000 3.038 704 H HA 0.416 4.724 4.556 -0.413 0.000 0.362 704 H C -0.700 174.855 175.328 0.379 0.000 1.167 704 H CA -0.547 55.636 56.048 0.226 0.000 1.197 704 H CB 2.509 32.402 29.762 0.220 0.000 1.840 704 H HN 0.751 nan 8.280 nan 0.000 0.540 705 G N 0.967 110.076 108.800 0.514 0.000 2.390 705 G HA2 0.230 3.931 3.960 -0.433 0.000 0.270 705 G HA3 0.230 3.931 3.960 -0.433 0.000 0.270 705 G C 1.080 176.207 174.900 0.378 0.000 1.211 705 G CA 0.178 45.532 45.100 0.424 0.000 0.842 705 G HN 0.650 nan 8.290 nan 0.000 0.519 706 T N -0.560 114.032 114.554 0.062 0.000 2.951 706 T HA 0.061 4.151 4.350 -0.433 0.000 0.268 706 T C 1.843 176.464 174.700 -0.131 0.000 1.073 706 T CA 1.222 63.136 62.100 -0.310 0.000 1.134 706 T CB 0.144 68.767 68.868 -0.408 0.000 0.884 706 T HN 0.648 nan 8.240 nan 0.000 0.479 707 A N 1.154 123.993 122.820 0.032 0.000 2.532 707 A HA 0.264 4.325 4.320 -0.433 0.000 0.273 707 A C 0.535 178.072 177.584 -0.077 0.000 1.342 707 A CA -0.464 51.605 52.037 0.052 0.000 0.929 707 A CB -0.410 18.891 19.000 0.502 0.000 1.051 707 A HN 0.375 nan 8.150 nan 0.000 0.521 708 D N 1.528 121.894 120.400 -0.057 0.000 2.342 708 D HA -0.016 4.365 4.640 -0.433 0.000 0.260 708 D C 0.305 176.545 176.300 -0.101 0.000 1.278 708 D CA 0.180 54.241 54.000 0.101 0.000 0.910 708 D CB 0.660 41.687 40.800 0.379 0.000 1.079 708 D HN 0.556 nan 8.370 nan 0.000 0.496 709 D N 2.463 122.865 120.400 0.004 0.000 2.347 709 D HA -0.133 4.247 4.640 -0.433 0.000 0.213 709 D C 0.945 177.150 176.300 -0.159 0.000 0.985 709 D CA -0.013 53.941 54.000 -0.077 0.000 0.879 709 D CB 0.426 41.130 40.800 -0.159 0.000 0.919 709 D HN 0.230 nan 8.370 nan 0.000 0.526 710 N N 0.863 119.567 118.700 0.006 0.000 2.358 710 N HA -0.041 4.439 4.740 -0.433 0.000 0.209 710 N C -0.059 175.345 175.510 -0.177 0.000 1.033 710 N CA 0.416 53.514 53.050 0.078 0.000 1.021 710 N CB 0.330 38.809 38.487 -0.013 0.000 1.244 710 N HN -0.116 nan 8.380 nan 0.000 0.523 711 V N 3.070 122.883 119.914 -0.168 0.000 2.339 711 V HA 0.157 4.017 4.120 -0.433 0.000 0.261 711 V C -0.428 175.688 176.094 0.036 0.000 1.058 711 V CA -0.262 62.022 62.300 -0.028 0.000 0.897 711 V CB -0.620 31.249 31.823 0.077 0.000 1.052 711 V HN 0.297 nan 8.190 nan 0.000 0.480 712 H N 3.364 122.394 119.070 -0.067 0.000 2.871 712 H HA 0.019 4.313 4.556 -0.437 0.000 0.355 712 H C 0.760 175.923 175.328 -0.275 0.000 1.092 712 H CA -0.173 55.752 56.048 -0.205 0.000 1.420 712 H CB 0.692 30.242 29.762 -0.352 0.000 1.400 712 H HN 0.604 nan 8.280 nan 0.000 0.604 713 F N 2.002 121.747 119.950 -0.341 0.000 2.184 713 F HA -0.318 4.125 4.527 -0.140 0.000 0.301 713 F C 2.565 178.086 175.800 -0.464 0.000 1.076 713 F CA 1.859 59.495 58.000 -0.607 0.000 1.295 713 F CB -0.237 38.577 39.000 -0.309 0.000 1.026 713 F HN 0.683 nan 8.300 nan 0.000 0.494 714 Q N 0.135 119.758 119.800 -0.295 0.000 2.118 714 Q HA -0.330 3.751 4.340 -0.433 0.000 0.211 714 Q C 2.114 177.820 176.000 -0.489 0.000 0.998 714 Q CA 2.411 57.974 55.803 -0.399 0.000 0.872 714 Q CB -0.408 28.072 28.738 -0.431 0.000 0.925 714 Q HN 0.572 nan 8.270 nan 0.000 0.414 715 Q N -0.228 119.331 119.800 -0.402 0.000 2.045 715 Q HA -0.150 3.930 4.340 -0.433 0.000 0.206 715 Q C 2.295 178.166 176.000 -0.215 0.000 0.991 715 Q CA 1.905 57.597 55.803 -0.184 0.000 0.851 715 Q CB -0.231 28.484 28.738 -0.038 0.000 0.911 715 Q HN 0.355 nan 8.270 nan 0.000 0.418 716 S N 0.410 115.864 115.700 -0.409 0.000 2.414 716 S HA 0.005 4.215 4.470 -0.433 0.000 0.227 716 S C 1.984 176.328 174.600 -0.427 0.000 1.022 716 S CA 0.689 58.680 58.200 -0.348 0.000 0.958 716 S CB -0.061 62.940 63.200 -0.330 0.000 0.797 716 S HN 0.467 nan 8.310 nan 0.000 0.493 717 A N 1.553 123.987 122.820 -0.645 0.000 1.877 717 A HA -0.121 3.939 4.320 -0.433 0.000 0.216 717 A C 2.136 179.585 177.584 -0.225 0.000 1.186 717 A CA 1.116 52.879 52.037 -0.457 0.000 0.620 717 A CB -0.512 18.217 19.000 -0.452 0.000 0.822 717 A HN 0.362 nan 8.150 nan 0.000 0.443 718 Q N -0.953 118.727 119.800 -0.201 0.000 2.119 718 Q HA -0.132 3.948 4.340 -0.433 0.000 0.201 718 Q C 2.097 178.055 176.000 -0.071 0.000 0.972 718 Q CA 1.304 57.057 55.803 -0.082 0.000 0.847 718 Q CB -0.520 28.233 28.738 0.024 0.000 0.903 718 Q HN 0.594 nan 8.270 nan 0.000 0.433 719 L N 1.237 122.397 121.223 -0.105 0.000 1.994 719 L HA -0.174 3.906 4.340 -0.433 0.000 0.208 719 L C 2.415 179.151 176.870 -0.225 0.000 1.071 719 L CA 2.458 57.205 54.840 -0.155 0.000 0.745 719 L CB -1.047 40.925 42.059 -0.145 0.000 0.892 719 L HN 0.234 nan 8.230 nan 0.000 0.431 720 S N -0.833 114.771 115.700 -0.160 0.000 2.383 720 S HA -0.313 3.898 4.470 -0.433 0.000 0.229 720 S C 2.142 176.726 174.600 -0.026 0.000 1.030 720 S CA 1.518 59.676 58.200 -0.070 0.000 1.002 720 S CB -0.722 62.589 63.200 0.185 0.000 0.829 720 S HN 0.557 nan 8.310 nan 0.000 0.467 721 K N 1.756 122.134 120.400 -0.036 0.000 2.097 721 K HA 0.058 4.119 4.320 -0.433 0.000 0.206 721 K C 2.164 178.737 176.600 -0.045 0.000 1.049 721 K CA 1.197 57.474 56.287 -0.017 0.000 0.933 721 K CB -0.651 31.835 32.500 -0.024 0.000 0.717 721 K HN 0.472 nan 8.250 nan 0.000 0.442 722 A N 0.386 123.148 122.820 -0.096 0.000 2.066 722 A HA 0.018 4.079 4.320 -0.433 0.000 0.218 722 A C 1.920 179.410 177.584 -0.156 0.000 1.157 722 A CA 0.811 52.783 52.037 -0.108 0.000 0.670 722 A CB -0.319 18.613 19.000 -0.113 0.000 0.804 722 A HN 0.295 nan 8.150 nan 0.000 0.453 723 L N -1.107 119.956 121.223 -0.268 0.000 2.162 723 L HA -0.056 4.024 4.340 -0.433 0.000 0.205 723 L C 2.406 179.226 176.870 -0.083 0.000 1.086 723 L CA 0.478 55.112 54.840 -0.343 0.000 0.778 723 L CB -0.467 41.044 42.059 -0.914 0.000 0.928 723 L HN 0.189 nan 8.230 nan 0.000 0.446 724 V N 0.049 119.984 119.914 0.036 0.000 2.295 724 V HA -0.293 3.567 4.120 -0.433 0.000 0.246 724 V C 2.122 178.252 176.094 0.060 0.000 1.049 724 V CA 1.964 64.343 62.300 0.132 0.000 1.024 724 V CB -0.446 31.462 31.823 0.142 0.000 0.648 724 V HN 0.412 nan 8.190 nan 0.000 0.447 725 D N 0.492 120.904 120.400 0.019 0.000 2.123 725 D HA -0.128 4.253 4.640 -0.433 0.000 0.196 725 D C 2.068 178.373 176.300 0.009 0.000 0.992 725 D CA 1.683 55.688 54.000 0.010 0.000 0.833 725 D CB -0.305 40.492 40.800 -0.005 0.000 0.954 725 D HN 0.462 nan 8.370 nan 0.000 0.455 726 A N -0.401 122.416 122.820 -0.004 0.000 2.206 726 A HA 0.331 4.391 4.320 -0.433 0.000 0.211 726 A C 1.759 179.360 177.584 0.028 0.000 1.158 726 A CA 1.259 53.298 52.037 0.003 0.000 0.761 726 A CB -0.305 18.686 19.000 -0.015 0.000 0.801 726 A HN 0.284 nan 8.150 nan 0.000 0.473 727 G N -1.369 107.459 108.800 0.046 0.000 2.147 727 G HA2 -0.181 3.519 3.960 -0.433 0.000 0.244 727 G HA3 -0.181 3.519 3.960 -0.433 0.000 0.244 727 G C 0.071 175.029 174.900 0.096 0.000 1.005 727 G CA 0.128 45.269 45.100 0.068 0.000 0.713 727 G HN 0.807 nan 8.290 nan 0.000 0.515 728 V N 0.640 120.618 119.914 0.108 0.000 2.488 728 V HA 0.434 4.295 4.120 -0.433 0.000 0.277 728 V C 0.580 176.856 176.094 0.304 0.000 1.046 728 V CA -0.229 62.166 62.300 0.157 0.000 0.986 728 V CB 1.610 33.480 31.823 0.078 0.000 0.989 728 V HN 0.409 nan 8.190 nan 0.000 0.475 729 D N 4.146 124.718 120.400 0.286 0.000 2.255 729 D HA 0.599 4.980 4.640 -0.433 0.000 0.249 729 D C -0.656 175.926 176.300 0.471 0.000 1.078 729 D CA 0.062 54.251 54.000 0.315 0.000 0.896 729 D CB 0.727 41.631 40.800 0.173 0.000 1.194 729 D HN 0.370 nan 8.370 nan 0.000 0.429 730 F N -0.019 120.006 119.950 0.125 0.000 2.741 730 F HA 0.416 4.677 4.527 -0.444 0.000 0.311 730 F C -1.224 174.626 175.800 0.084 0.000 1.149 730 F CA -1.132 56.964 58.000 0.160 0.000 0.930 730 F CB 0.752 39.879 39.000 0.212 0.000 1.312 730 F HN 0.230 nan 8.300 nan 0.000 0.450 731 Q N 0.655 120.456 119.800 0.001 0.000 2.226 731 Q HA 0.710 4.790 4.340 -0.433 0.000 0.256 731 Q C -1.224 174.638 176.000 -0.230 0.000 0.962 731 Q CA -0.788 54.914 55.803 -0.168 0.000 0.887 731 Q CB 2.186 30.891 28.738 -0.055 0.000 1.282 731 Q HN 0.883 nan 8.270 nan 0.000 0.449 732 T N 1.483 115.892 114.554 -0.241 0.000 2.903 732 T HA 0.651 4.741 4.350 -0.433 0.000 0.299 732 T C -1.768 172.805 174.700 -0.213 0.000 1.093 732 T CA -0.573 61.422 62.100 -0.176 0.000 1.002 732 T CB 1.151 69.945 68.868 -0.124 0.000 1.127 732 T HN 0.505 nan 8.240 nan 0.000 0.488 733 M N 4.075 123.552 119.600 -0.205 0.000 2.215 733 M HA 0.487 4.707 4.480 -0.433 0.000 0.251 733 M C -1.918 174.233 176.300 -0.248 0.000 0.987 733 M CA -0.720 54.336 55.300 -0.407 0.000 1.025 733 M CB 0.855 33.125 32.600 -0.549 0.000 2.064 733 M HN 0.695 nan 8.290 nan 0.000 0.473 734 W N 4.545 125.696 121.300 -0.249 0.000 2.303 734 W HA 0.725 5.255 4.660 -0.216 0.000 0.334 734 W C -1.918 174.356 176.519 -0.408 0.000 1.197 734 W CA -0.637 56.634 57.345 -0.122 0.000 1.262 734 W CB 0.242 29.677 29.460 -0.042 0.000 1.153 734 W HN 0.603 nan 8.180 nan 0.000 0.596 735 Y N 2.247 122.681 120.300 0.224 0.000 2.338 735 Y HA 0.301 4.591 4.550 -0.433 0.000 0.328 735 Y C 0.342 176.336 175.900 0.157 0.000 0.965 735 Y CA -1.217 56.935 58.100 0.087 0.000 1.208 735 Y CB 1.608 40.074 38.460 0.010 0.000 1.132 735 Y HN 0.424 nan 8.280 nan 0.000 0.469 736 T N 4.781 119.507 114.554 0.287 0.000 2.817 736 T HA 0.036 4.126 4.350 -0.433 0.000 0.295 736 T C 0.093 174.836 174.700 0.072 0.000 0.958 736 T CA 0.409 62.594 62.100 0.141 0.000 1.157 736 T CB -0.060 68.843 68.868 0.057 0.000 0.898 736 T HN 0.710 nan 8.240 nan 0.000 0.536 737 D N 0.872 121.276 120.400 0.006 0.000 3.046 737 D HA -0.122 4.259 4.640 -0.433 0.000 0.210 737 D C 0.158 176.556 176.300 0.163 0.000 1.124 737 D CA 1.072 54.996 54.000 -0.127 0.000 0.986 737 D CB -0.385 40.096 40.800 -0.532 0.000 1.118 737 D HN 0.561 nan 8.370 nan 0.000 0.416 738 E N 1.243 121.560 120.200 0.194 0.000 2.283 738 E HA 0.289 4.380 4.350 -0.433 0.000 0.278 738 E C 0.800 177.564 176.600 0.273 0.000 1.027 738 E CA -0.291 56.247 56.400 0.230 0.000 0.843 738 E CB 1.261 31.074 29.700 0.188 0.000 1.062 738 E HN 0.330 nan 8.360 nan 0.000 0.401 739 D N 0.351 120.931 120.400 0.302 0.000 2.475 739 D HA -0.024 4.356 4.640 -0.433 0.000 0.286 739 D C 1.100 177.618 176.300 0.363 0.000 1.205 739 D CA -0.144 54.059 54.000 0.338 0.000 1.092 739 D CB -0.108 40.923 40.800 0.385 0.000 1.147 739 D HN 0.384 nan 8.370 nan 0.000 0.575 740 H N -1.499 117.737 119.070 0.277 0.000 2.421 740 H HA 0.097 4.390 4.556 -0.438 0.000 0.298 740 H C 1.932 177.510 175.328 0.417 0.000 1.087 740 H CA 2.083 58.313 56.048 0.303 0.000 1.330 740 H CB -0.439 29.493 29.762 0.283 0.000 1.388 740 H HN 0.506 nan 8.280 nan 0.000 0.526 741 G N -0.203 108.784 108.800 0.312 0.000 2.712 741 G HA2 0.012 3.712 3.960 -0.433 0.000 0.212 741 G HA3 0.012 3.712 3.960 -0.433 0.000 0.212 741 G C 0.586 175.724 174.900 0.396 0.000 1.142 741 G CA 0.281 45.509 45.100 0.214 0.000 0.789 741 G HN 0.520 nan 8.290 nan 0.000 0.535 742 I N -0.007 120.772 120.570 0.349 0.000 5.115 742 I HA -0.327 3.583 4.170 -0.433 0.000 0.126 742 I C 1.483 177.729 176.117 0.215 0.000 1.316 742 I CA 0.188 61.624 61.300 0.227 0.000 2.641 742 I CB -1.387 36.681 38.000 0.114 0.000 2.272 742 I HN 0.258 nan 8.210 nan 0.000 0.321 743 A N 1.523 124.444 122.820 0.169 0.000 2.348 743 A HA 0.251 4.311 4.320 -0.433 0.000 0.224 743 A C 1.187 178.814 177.584 0.070 0.000 1.227 743 A CA 0.590 52.688 52.037 0.103 0.000 0.885 743 A CB 0.177 19.209 19.000 0.055 0.000 0.933 743 A HN 0.680 nan 8.150 nan 0.000 0.506 744 S N -0.039 115.718 115.700 0.095 0.000 2.568 744 S HA 0.027 4.237 4.470 -0.433 0.000 0.282 744 S C 0.992 175.642 174.600 0.084 0.000 1.338 744 S CA -0.009 58.240 58.200 0.082 0.000 1.045 744 S CB 0.416 63.670 63.200 0.091 0.000 0.873 744 S HN 0.433 nan 8.310 nan 0.000 0.516 745 N N 1.781 120.521 118.700 0.066 0.000 2.037 745 N HA -0.150 4.330 4.740 -0.433 0.000 0.196 745 N C 1.535 177.105 175.510 0.100 0.000 1.034 745 N CA 1.872 54.967 53.050 0.074 0.000 0.861 745 N CB -0.280 38.234 38.487 0.045 0.000 1.039 745 N HN 0.625 nan 8.380 nan 0.000 0.427 746 M N 0.449 120.094 119.600 0.075 0.000 2.254 746 M HA 0.019 4.239 4.480 -0.433 0.000 0.265 746 M C 2.211 178.557 176.300 0.076 0.000 1.066 746 M CA 0.571 55.916 55.300 0.075 0.000 1.123 746 M CB -1.406 31.231 32.600 0.062 0.000 1.388 746 M HN 0.107 nan 8.290 nan 0.000 0.425 747 A N -0.891 121.947 122.820 0.030 0.000 1.873 747 A HA -0.202 3.859 4.320 -0.433 0.000 0.215 747 A C 2.081 179.600 177.584 -0.108 0.000 1.186 747 A CA 2.048 54.014 52.037 -0.118 0.000 0.616 747 A CB -1.084 17.805 19.000 -0.184 0.000 0.823 747 A HN 0.556 nan 8.150 nan 0.000 0.442 748 H N -0.177 118.868 119.070 -0.041 0.000 2.319 748 H HA -0.174 4.121 4.556 -0.435 0.000 0.297 748 H C 2.136 177.529 175.328 0.108 0.000 1.097 748 H CA 2.424 58.513 56.048 0.069 0.000 1.285 748 H CB -0.207 29.598 29.762 0.072 0.000 1.368 748 H HN 0.549 nan 8.280 nan 0.000 0.495 749 Q N -0.988 118.804 119.800 -0.013 0.000 2.050 749 Q HA -0.208 3.872 4.340 -0.433 0.000 0.202 749 Q C 2.279 178.258 176.000 -0.036 0.000 0.980 749 Q CA 1.511 57.275 55.803 -0.066 0.000 0.840 749 Q CB -0.262 28.482 28.738 0.011 0.000 0.898 749 Q HN 0.677 nan 8.270 nan 0.000 0.424 750 H N 0.579 119.611 119.070 -0.063 0.000 2.326 750 H HA -0.064 4.235 4.556 -0.428 0.000 0.301 750 H C 2.106 177.422 175.328 -0.020 0.000 1.081 750 H CA 1.255 57.301 56.048 -0.004 0.000 1.334 750 H CB -0.097 29.715 29.762 0.084 0.000 1.385 750 H HN 0.253 nan 8.280 nan 0.000 0.504 751 I N 0.277 120.822 120.570 -0.043 0.000 2.226 751 I HA -0.341 3.569 4.170 -0.433 0.000 0.245 751 I C 1.759 177.634 176.117 -0.404 0.000 1.100 751 I CA 1.401 62.582 61.300 -0.197 0.000 1.374 751 I CB -0.249 37.457 38.000 -0.490 0.000 1.057 751 I HN 0.172 nan 8.210 nan 0.000 0.413 752 Y N 0.868 120.939 120.300 -0.382 0.000 2.263 752 Y HA -0.175 4.118 4.550 -0.428 0.000 0.292 752 Y C 2.719 178.396 175.900 -0.371 0.000 1.130 752 Y CA 1.741 59.490 58.100 -0.586 0.000 1.179 752 Y CB -0.878 37.239 38.460 -0.571 0.000 0.998 752 Y HN 0.134 nan 8.280 nan 0.000 0.532 753 T N -1.451 113.010 114.554 -0.153 0.000 2.674 753 T HA -0.272 3.819 4.350 -0.433 0.000 0.265 753 T C 1.593 176.113 174.700 -0.301 0.000 1.039 753 T CA 2.063 64.016 62.100 -0.244 0.000 1.150 753 T CB -0.537 68.184 68.868 -0.245 0.000 0.864 753 T HN 0.440 nan 8.240 nan 0.000 0.427 754 H N 0.309 119.220 119.070 -0.266 0.000 2.423 754 H HA 0.155 4.456 4.556 -0.426 0.000 0.297 754 H C 2.159 177.450 175.328 -0.061 0.000 1.075 754 H CA 1.316 57.290 56.048 -0.124 0.000 1.342 754 H CB -0.164 29.544 29.762 -0.091 0.000 1.395 754 H HN 0.248 nan 8.280 nan 0.000 0.530 755 M N -0.975 118.560 119.600 -0.108 0.000 2.254 755 M HA -0.120 4.100 4.480 -0.433 0.000 0.265 755 M C 2.244 178.641 176.300 0.161 0.000 1.066 755 M CA 1.134 56.368 55.300 -0.110 0.000 1.123 755 M CB 0.237 32.497 32.600 -0.566 0.000 1.388 755 M HN 0.228 nan 8.290 nan 0.000 0.425 756 S N -0.688 115.125 115.700 0.189 0.000 2.368 756 S HA -0.133 4.077 4.470 -0.433 0.000 0.224 756 S C 1.663 176.358 174.600 0.159 0.000 1.029 756 S CA 0.922 59.321 58.200 0.331 0.000 0.988 756 S CB -0.484 62.926 63.200 0.351 0.000 0.838 756 S HN 0.459 nan 8.310 nan 0.000 0.462 757 H N 0.198 119.311 119.070 0.073 0.000 2.319 757 H HA -0.029 4.267 4.556 -0.434 0.000 0.299 757 H C 1.920 177.232 175.328 -0.026 0.000 1.092 757 H CA 1.239 57.280 56.048 -0.012 0.000 1.302 757 H CB -0.819 28.878 29.762 -0.108 0.000 1.373 757 H HN 0.451 nan 8.280 nan 0.000 0.497 758 F N 0.828 120.744 119.950 -0.057 0.000 2.134 758 F HA -0.130 4.142 4.527 -0.425 0.000 0.299 758 F C 2.461 178.213 175.800 -0.079 0.000 1.097 758 F CA 0.816 58.764 58.000 -0.088 0.000 1.264 758 F CB -0.447 38.484 39.000 -0.115 0.000 1.001 758 F HN 0.017 nan 8.300 nan 0.000 0.479 759 L N 0.135 121.361 121.223 0.006 0.000 2.056 759 L HA -0.223 3.858 4.340 -0.433 0.000 0.207 759 L C 2.437 179.112 176.870 -0.326 0.000 1.078 759 L CA 1.535 56.224 54.840 -0.252 0.000 0.749 759 L CB -0.479 41.523 42.059 -0.095 0.000 0.901 759 L HN 0.138 nan 8.230 nan 0.000 0.433 760 K N -0.666 119.689 120.400 -0.075 0.000 2.057 760 K HA -0.220 3.840 4.320 -0.433 0.000 0.206 760 K C 2.044 178.635 176.600 -0.014 0.000 1.050 760 K CA 1.222 57.522 56.287 0.022 0.000 0.935 760 K CB -0.045 32.517 32.500 0.104 0.000 0.715 760 K HN 0.328 nan 8.250 nan 0.000 0.439 761 Q N 0.210 119.954 119.800 -0.092 0.000 2.084 761 Q HA -0.187 3.894 4.340 -0.433 0.000 0.202 761 Q C 2.328 178.238 176.000 -0.151 0.000 0.978 761 Q CA 1.581 57.314 55.803 -0.117 0.000 0.844 761 Q CB -0.136 28.509 28.738 -0.156 0.000 0.898 761 Q HN 0.404 nan 8.270 nan 0.000 0.426 762 c N -0.548 117.871 118.600 -0.301 0.000 2.440 762 c HA -0.048 4.263 4.570 -0.433 0.000 0.278 762 c C 1.794 175.924 174.090 0.066 0.000 1.295 762 c CA 0.259 56.440 56.329 -0.247 0.000 1.738 762 c CB -0.902 41.305 42.510 -0.505 0.000 1.987 762 c HN 0.472 nan 8.230 nan 0.000 0.492 763 F N 2.249 122.159 119.950 -0.067 0.000 2.773 763 F HA 0.218 4.487 4.527 -0.430 0.000 0.304 763 F C 1.613 177.399 175.800 -0.023 0.000 1.129 763 F CA 0.430 58.414 58.000 -0.027 0.000 1.378 763 F CB -1.221 37.773 39.000 -0.010 0.000 1.095 763 F HN 0.319 nan 8.300 nan 0.000 0.565 764 S N 0.603 116.387 115.700 0.141 0.000 3.631 764 S HA -0.249 3.962 4.470 -0.433 0.000 0.366 764 S C -0.096 174.548 174.600 0.073 0.000 0.993 764 S CA 0.083 58.326 58.200 0.072 0.000 1.167 764 S CB -2.300 60.929 63.200 0.048 0.000 0.909 764 S HN 0.280 nan 8.310 nan 0.000 0.478 765 L N 2.155 123.435 121.223 0.094 0.000 2.307 765 L HA 0.535 4.616 4.340 -0.433 0.000 0.284 765 L C -1.217 175.695 176.870 0.070 0.000 1.023 765 L CA -1.858 53.035 54.840 0.088 0.000 0.810 765 L CB 1.143 43.278 42.059 0.128 0.000 1.231 765 L HN 0.093 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.054 0.000 0.800 766 P CB 0.000 31.724 31.700 0.041 0.000 0.726