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 2ajc_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 0.000 174.635 174.600 0.059 0.000 1.055 39 S CA 0.000 58.222 58.200 0.036 0.000 1.107 39 S CB 0.000 63.223 63.200 0.039 0.000 0.593 40 R N 1.706 122.251 120.500 0.074 0.000 1.470 40 R HA -0.121 3.917 4.340 -0.503 0.000 0.352 40 R C -0.161 176.203 176.300 0.106 0.000 1.354 40 R CA 0.894 57.051 56.100 0.096 0.000 1.395 40 R CB -0.219 30.150 30.300 0.115 0.000 3.779 40 R HN 0.758 nan 8.270 nan 0.000 0.415 41 R N 1.635 122.207 120.500 0.121 0.000 2.641 41 R HA 0.158 4.196 4.340 -0.503 0.000 0.269 41 R C 0.226 176.620 176.300 0.157 0.000 1.074 41 R CA 0.613 56.796 56.100 0.138 0.000 1.133 41 R CB 0.738 31.137 30.300 0.165 0.000 1.029 41 R HN 0.709 nan 8.270 nan 0.000 0.488 42 T N -0.047 114.607 114.554 0.165 0.000 2.938 42 T HA 0.195 4.243 4.350 -0.503 0.000 0.285 42 T C -0.717 174.127 174.700 0.240 0.000 1.028 42 T CA -0.667 61.545 62.100 0.185 0.000 1.005 42 T CB 0.802 69.774 68.868 0.172 0.000 1.157 42 T HN 0.541 nan 8.240 nan 0.000 0.550 43 Y N 2.522 122.894 120.300 0.120 0.000 2.452 43 Y HA 0.404 4.652 4.550 -0.504 0.000 0.348 43 Y C 0.849 176.911 175.900 0.269 0.000 0.985 43 Y CA -0.425 57.767 58.100 0.153 0.000 1.214 43 Y CB -0.101 38.391 38.460 0.053 0.000 1.136 43 Y HN 1.005 nan 8.280 nan 0.000 0.523 44 T N 2.663 117.183 114.554 -0.056 0.000 2.881 44 T HA 0.150 4.198 4.350 -0.503 0.000 0.278 44 T C 1.008 175.554 174.700 -0.257 0.000 0.982 44 T CA -0.764 61.337 62.100 0.002 0.000 0.989 44 T CB 1.285 70.148 68.868 -0.010 0.000 1.058 44 T HN 0.695 nan 8.240 nan 0.000 0.529 45 L N 1.364 122.236 121.223 -0.584 0.000 2.042 45 L HA -0.021 4.017 4.340 -0.503 0.000 0.210 45 L C 2.596 179.305 176.870 -0.270 0.000 1.076 45 L CA 2.200 56.603 54.840 -0.728 0.000 0.749 45 L CB -1.501 40.021 42.059 -0.895 0.000 0.893 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.623 113.802 114.554 -0.214 0.000 2.788 46 T HA -0.154 3.895 4.350 -0.503 0.000 0.268 46 T C 1.495 176.116 174.700 -0.131 0.000 1.044 46 T CA 1.375 63.392 62.100 -0.137 0.000 1.139 46 T CB -0.361 68.451 68.868 -0.093 0.000 0.867 46 T HN 0.410 nan 8.240 nan 0.000 0.454 47 D N 0.142 120.434 120.400 -0.180 0.000 2.104 47 D HA -0.094 4.244 4.640 -0.503 0.000 0.194 47 D C 1.748 177.981 176.300 -0.112 0.000 0.994 47 D CA 1.064 54.958 54.000 -0.178 0.000 0.830 47 D CB -0.376 40.195 40.800 -0.382 0.000 0.959 47 D HN 0.408 nan 8.370 nan 0.000 0.452 48 Y N 1.625 121.747 120.300 -0.298 0.000 2.114 48 Y HA -0.127 4.120 4.550 -0.505 0.000 0.284 48 Y C 2.238 178.163 175.900 0.041 0.000 1.143 48 Y CA 1.281 59.392 58.100 0.019 0.000 1.135 48 Y CB -0.652 37.859 38.460 0.086 0.000 0.980 48 Y HN -0.101 nan 8.280 nan 0.000 0.499 49 L N -0.008 121.021 121.223 -0.324 0.000 2.083 49 L HA -0.187 3.851 4.340 -0.503 0.000 0.209 49 L C 1.884 178.653 176.870 -0.168 0.000 1.083 49 L CA 1.370 56.011 54.840 -0.332 0.000 0.752 49 L CB -0.505 41.437 42.059 -0.194 0.000 0.899 49 L HN 0.079 nan 8.230 nan 0.000 0.433 50 K N -0.416 119.916 120.400 -0.114 0.000 2.374 50 K HA 0.172 4.191 4.320 -0.503 0.000 0.196 50 K C 0.717 177.290 176.600 -0.044 0.000 1.023 50 K CA 0.018 56.264 56.287 -0.069 0.000 1.103 50 K CB 0.430 32.892 32.500 -0.063 0.000 0.848 50 K HN 0.054 nan 8.250 nan 0.000 0.528 51 S N 1.145 116.831 115.700 -0.023 0.000 3.559 51 S HA -0.153 4.016 4.470 -0.503 0.000 0.369 51 S C 1.318 175.955 174.600 0.062 0.000 0.987 51 S CA 1.025 59.264 58.200 0.064 0.000 1.187 51 S CB -1.728 61.496 63.200 0.041 0.000 0.914 51 S HN 0.648 nan 8.310 nan 0.000 0.480 52 T N -2.265 112.304 114.554 0.024 0.000 2.833 52 T HA -0.010 4.038 4.350 -0.503 0.000 0.269 52 T C 0.446 175.028 174.700 -0.197 0.000 1.054 52 T CA 0.870 62.886 62.100 -0.141 0.000 1.135 52 T CB -0.344 68.354 68.868 -0.284 0.000 0.869 52 T HN 0.404 nan 8.240 nan 0.000 0.466 53 F N 2.357 122.412 119.950 0.175 0.000 2.303 53 F HA 0.568 4.793 4.527 -0.504 0.000 0.368 53 F C 0.554 176.467 175.800 0.187 0.000 1.105 53 F CA -1.421 56.700 58.000 0.201 0.000 1.153 53 F CB 0.663 39.845 39.000 0.303 0.000 1.362 53 F HN -0.108 nan 8.300 nan 0.000 0.511 54 R N 2.261 122.910 120.500 0.249 0.000 2.267 54 R HA 0.463 4.501 4.340 -0.503 0.000 0.319 54 R C -1.173 175.253 176.300 0.210 0.000 1.067 54 R CA -0.230 55.987 56.100 0.195 0.000 0.936 54 R CB 0.575 30.933 30.300 0.096 0.000 1.006 54 R HN 0.404 nan 8.270 nan 0.000 0.452 55 V N 5.994 126.059 119.914 0.253 0.000 2.461 55 V HA 0.252 4.071 4.120 -0.503 0.000 0.275 55 V C 0.348 176.578 176.094 0.226 0.000 1.047 55 V CA -0.333 62.132 62.300 0.276 0.000 0.955 55 V CB 1.155 33.203 31.823 0.375 0.000 0.988 55 V HN 0.716 nan 8.190 nan 0.000 0.471 56 K N 4.428 124.907 120.400 0.132 0.000 2.095 56 K HA 0.743 4.761 4.320 -0.503 0.000 0.252 56 K C -0.732 175.899 176.600 0.051 0.000 0.977 56 K CA -0.287 55.954 56.287 -0.077 0.000 0.900 56 K CB 1.556 33.988 32.500 -0.114 0.000 1.060 56 K HN 0.591 nan 8.250 nan 0.000 0.449 57 F N -1.412 118.501 119.950 -0.063 0.000 2.790 57 F HA 0.522 4.747 4.527 -0.503 0.000 0.337 57 F C -1.296 174.164 175.800 -0.567 0.000 1.163 57 F CA -1.324 56.394 58.000 -0.470 0.000 0.997 57 F CB 0.803 39.714 39.000 -0.149 0.000 1.437 57 F HN 0.366 nan 8.300 nan 0.000 0.512 58 Y N 0.673 120.505 120.300 -0.781 0.000 2.359 58 Y HA 0.481 4.729 4.550 -0.503 0.000 0.336 58 Y C -1.145 174.691 175.900 -0.107 0.000 1.098 58 Y CA -0.720 57.160 58.100 -0.367 0.000 1.272 58 Y CB 1.288 39.427 38.460 -0.536 0.000 1.112 58 Y HN 0.738 nan 8.280 nan 0.000 0.481 59 T N 7.108 121.735 114.554 0.123 0.000 2.743 59 T HA 0.568 4.616 4.350 -0.503 0.000 0.293 59 T C -0.654 174.098 174.700 0.088 0.000 0.945 59 T CA -0.348 61.827 62.100 0.126 0.000 1.030 59 T CB 0.196 69.147 68.868 0.138 0.000 0.912 59 T HN 0.518 nan 8.240 nan 0.000 0.483 60 L N 1.653 122.878 121.223 0.005 0.000 2.333 60 L HA 0.757 4.795 4.340 -0.503 0.000 0.263 60 L C -0.668 176.158 176.870 -0.075 0.000 1.014 60 L CA -1.051 53.737 54.840 -0.087 0.000 0.820 60 L CB 1.587 43.289 42.059 -0.596 0.000 1.352 60 L HN 0.402 nan 8.230 nan 0.000 0.421 61 Q N 1.106 120.907 119.800 0.002 0.000 2.363 61 Q HA 0.368 4.407 4.340 -0.503 0.000 0.265 61 Q C -1.754 174.317 176.000 0.118 0.000 1.032 61 Q CA -0.238 55.617 55.803 0.087 0.000 0.746 61 Q CB 1.351 30.181 28.738 0.154 0.000 1.237 61 Q HN 0.645 nan 8.270 nan 0.000 0.475 62 W N 3.892 125.316 121.300 0.206 0.000 2.223 62 W HA 0.096 4.454 4.660 -0.503 0.000 0.334 62 W C 1.180 177.796 176.519 0.162 0.000 1.334 62 W CA -0.171 57.302 57.345 0.214 0.000 1.246 62 W CB 0.462 30.044 29.460 0.203 0.000 1.184 62 W HN 0.667 nan 8.180 nan 0.000 0.563 63 I N 0.294 121.098 120.570 0.389 0.000 4.240 63 I HA 0.351 4.220 4.170 -0.503 0.000 0.331 63 I C 0.439 176.667 176.117 0.186 0.000 1.381 63 I CA -0.212 61.218 61.300 0.216 0.000 1.136 63 I CB -0.132 37.916 38.000 0.079 0.000 1.137 63 I HN 0.248 nan 8.210 nan 0.000 0.411 64 S N 0.348 116.196 115.700 0.246 0.000 2.724 64 S HA 0.210 4.379 4.470 -0.503 0.000 0.278 64 S C -0.087 174.658 174.600 0.243 0.000 1.190 64 S CA 0.061 58.377 58.200 0.194 0.000 0.860 64 S CB 0.883 64.149 63.200 0.111 0.000 1.206 64 S HN 0.245 nan 8.310 nan 0.000 0.507 65 D N 0.217 120.780 120.400 0.272 0.000 2.363 65 D HA -0.036 4.302 4.640 -0.503 0.000 0.220 65 D C 0.995 177.549 176.300 0.423 0.000 0.994 65 D CA 1.343 55.498 54.000 0.257 0.000 0.890 65 D CB -0.564 40.366 40.800 0.217 0.000 0.906 65 D HN 0.846 nan 8.370 nan 0.000 0.530 66 H N -1.883 117.359 119.070 0.288 0.000 3.394 66 H HA 0.441 4.695 4.556 -0.503 0.000 0.256 66 H C -0.812 174.673 175.328 0.262 0.000 1.180 66 H CA -0.495 55.727 56.048 0.290 0.000 1.064 66 H CB -0.433 29.478 29.762 0.249 0.000 1.854 66 H HN 0.035 nan 8.280 nan 0.000 0.731 67 E N 1.128 121.367 120.200 0.065 0.000 2.293 67 E HA 0.444 4.492 4.350 -0.503 0.000 0.270 67 E C -1.572 175.166 176.600 0.231 0.000 0.879 67 E CA -1.188 55.199 56.400 -0.022 0.000 0.756 67 E CB 2.812 32.373 29.700 -0.231 0.000 1.208 67 E HN 0.309 nan 8.360 nan 0.000 0.428 68 Y N -0.219 120.085 120.300 0.006 0.000 2.553 68 Y HA 0.627 4.876 4.550 -0.503 0.000 0.347 68 Y C -1.523 174.382 175.900 0.008 0.000 1.019 68 Y CA -1.396 56.632 58.100 -0.119 0.000 1.032 68 Y CB 0.817 38.891 38.460 -0.643 0.000 1.284 68 Y HN 0.345 nan 8.280 nan 0.000 0.466 69 L N 3.573 124.935 121.223 0.232 0.000 2.357 69 L HA 0.481 4.519 4.340 -0.503 0.000 0.273 69 L C -1.180 175.950 176.870 0.433 0.000 1.080 69 L CA -0.925 54.040 54.840 0.209 0.000 0.803 69 L CB 1.353 43.446 42.059 0.057 0.000 1.174 69 L HN 0.802 nan 8.230 nan 0.000 0.443 70 Y N 2.510 122.986 120.300 0.293 0.000 2.479 70 Y HA 0.314 4.562 4.550 -0.503 0.000 0.338 70 Y C -0.801 175.212 175.900 0.190 0.000 1.055 70 Y CA -1.284 56.938 58.100 0.204 0.000 1.023 70 Y CB 1.560 40.153 38.460 0.222 0.000 1.287 70 Y HN 0.435 nan 8.280 nan 0.000 0.447 71 K N 5.171 125.245 120.400 -0.542 0.000 2.248 71 K HA 0.328 4.347 4.320 -0.503 0.000 0.281 71 K C -1.153 174.990 176.600 -0.760 0.000 1.054 71 K CA -0.396 55.663 56.287 -0.379 0.000 0.903 71 K CB 0.727 33.155 32.500 -0.121 0.000 1.077 71 K HN 0.854 nan 8.250 nan 0.000 0.474 72 Q N 3.989 123.598 119.800 -0.318 0.000 2.275 72 Q HA 0.096 4.135 4.340 -0.503 0.000 0.266 72 Q C -1.035 174.942 176.000 -0.037 0.000 1.002 72 Q CA -0.379 55.330 55.803 -0.158 0.000 0.761 72 Q CB 1.107 29.924 28.738 0.133 0.000 1.255 72 Q HN 0.674 nan 8.270 nan 0.000 0.446 73 E N 3.081 123.252 120.200 -0.048 0.000 2.586 73 E HA -0.299 3.750 4.350 -0.503 0.000 0.259 73 E C -0.454 176.137 176.600 -0.016 0.000 1.107 73 E CA 1.148 57.534 56.400 -0.023 0.000 0.754 73 E CB -1.620 28.085 29.700 0.008 0.000 1.335 73 E HN 0.987 nan 8.360 nan 0.000 0.411 74 N N -1.963 116.715 118.700 -0.037 0.000 2.909 74 N HA -0.207 4.231 4.740 -0.503 0.000 0.242 74 N C -0.288 175.301 175.510 0.131 0.000 0.975 74 N CA 1.515 54.560 53.050 -0.007 0.000 0.921 74 N CB -1.394 37.075 38.487 -0.030 0.000 1.112 74 N HN 0.486 nan 8.380 nan 0.000 0.581 75 N N 0.413 119.165 118.700 0.087 0.000 2.489 75 N HA 0.559 4.997 4.740 -0.503 0.000 0.284 75 N C 0.035 175.606 175.510 0.102 0.000 1.158 75 N CA -0.317 52.797 53.050 0.107 0.000 0.965 75 N CB 1.343 39.865 38.487 0.059 0.000 1.195 75 N HN 0.087 nan 8.380 nan 0.000 0.506 76 I N 1.982 122.613 120.570 0.102 0.000 2.312 76 I HA 0.246 4.114 4.170 -0.503 0.000 0.290 76 I C -0.632 175.571 176.117 0.143 0.000 1.008 76 I CA -0.440 60.920 61.300 0.099 0.000 1.226 76 I CB 0.476 38.494 38.000 0.031 0.000 1.371 76 I HN 0.235 nan 8.210 nan 0.000 0.468 77 L N 6.580 127.897 121.223 0.157 0.000 2.322 77 L HA 0.489 4.527 4.340 -0.503 0.000 0.279 77 L C -0.587 176.315 176.870 0.054 0.000 1.036 77 L CA -0.941 53.948 54.840 0.082 0.000 0.807 77 L CB 1.946 44.055 42.059 0.083 0.000 1.226 77 L HN 0.413 nan 8.230 nan 0.000 0.433 78 L N 2.743 123.899 121.223 -0.112 0.000 2.280 78 L HA 0.509 4.547 4.340 -0.503 0.000 0.287 78 L C -1.041 175.604 176.870 -0.376 0.000 1.023 78 L CA 0.257 55.011 54.840 -0.143 0.000 0.819 78 L CB 0.627 42.669 42.059 -0.028 0.000 1.212 78 L HN 0.190 nan 8.230 nan 0.000 0.420 79 F N 3.920 123.625 119.950 -0.407 0.000 2.422 79 F HA 0.440 4.665 4.527 -0.503 0.000 0.333 79 F C 0.607 176.107 175.800 -0.501 0.000 1.095 79 F CA -0.356 57.303 58.000 -0.568 0.000 1.038 79 F CB 1.338 39.644 39.000 -1.157 0.000 1.156 79 F HN 0.529 nan 8.300 nan 0.000 0.483 80 N N 2.049 120.678 118.700 -0.118 0.000 2.446 80 N HA 0.326 4.764 4.740 -0.503 0.000 0.265 80 N C 0.202 175.678 175.510 -0.056 0.000 0.975 80 N CA -0.039 52.978 53.050 -0.054 0.000 0.928 80 N CB 1.862 40.390 38.487 0.069 0.000 1.160 80 N HN 0.759 nan 8.380 nan 0.000 0.495 81 A N 4.094 126.830 122.820 -0.140 0.000 1.930 81 A HA -0.084 3.934 4.320 -0.503 0.000 0.217 81 A C 1.719 179.063 177.584 -0.400 0.000 1.175 81 A CA 1.121 52.965 52.037 -0.322 0.000 0.627 81 A CB -0.344 18.237 19.000 -0.699 0.000 0.815 81 A HN 0.854 nan 8.150 nan 0.000 0.443 82 E N -1.659 118.326 120.200 -0.358 0.000 2.147 82 E HA -0.234 3.814 4.350 -0.503 0.000 0.199 82 E C 0.679 176.906 176.600 -0.622 0.000 1.005 82 E CA 1.774 57.896 56.400 -0.464 0.000 0.810 82 E CB -0.214 29.068 29.700 -0.697 0.000 0.736 82 E HN 0.880 nan 8.360 nan 0.000 0.460 83 Y N -2.401 117.920 120.300 0.035 0.000 2.610 83 Y HA 0.329 4.577 4.550 -0.503 0.000 0.254 83 Y C 1.361 177.273 175.900 0.021 0.000 1.110 83 Y CA 0.101 58.218 58.100 0.030 0.000 1.238 83 Y CB 1.220 39.700 38.460 0.033 0.000 1.322 83 Y HN 0.078 nan 8.280 nan 0.000 0.547 84 G N 1.114 109.986 108.800 0.120 0.000 2.184 84 G HA2 -0.355 3.303 3.960 -0.503 0.000 0.264 84 G HA3 -0.355 3.303 3.960 -0.503 0.000 0.264 84 G C 0.225 175.219 174.900 0.157 0.000 0.975 84 G CA 0.416 45.587 45.100 0.118 0.000 0.642 84 G HN 0.455 nan 8.290 nan 0.000 0.536 85 N N 0.663 119.439 118.700 0.126 0.000 2.408 85 N HA 0.663 5.101 4.740 -0.503 0.000 0.260 85 N C 0.092 175.553 175.510 -0.081 0.000 1.242 85 N CA 0.507 53.584 53.050 0.046 0.000 0.959 85 N CB 1.488 39.997 38.487 0.035 0.000 1.201 85 N HN 1.071 nan 8.380 nan 0.000 0.511 86 S N -1.949 113.610 115.700 -0.234 0.000 2.638 86 S HA 0.779 4.947 4.470 -0.503 0.000 0.274 86 S C -1.030 173.375 174.600 -0.324 0.000 1.157 86 S CA -0.744 57.144 58.200 -0.519 0.000 0.826 86 S CB 0.934 63.301 63.200 -1.388 0.000 1.139 86 S HN 1.089 nan 8.310 nan 0.000 0.474 87 S N -0.031 115.486 115.700 -0.305 0.000 2.579 87 S HA 0.680 4.849 4.470 -0.503 0.000 0.272 87 S C -0.916 173.612 174.600 -0.119 0.000 1.141 87 S CA -1.054 57.051 58.200 -0.160 0.000 0.843 87 S CB 0.438 63.584 63.200 -0.090 0.000 1.122 87 S HN 0.800 nan 8.310 nan 0.000 0.468 88 I N 2.283 122.812 120.570 -0.067 0.000 2.533 88 I HA 0.187 4.055 4.170 -0.503 0.000 0.284 88 I C 0.565 176.696 176.117 0.023 0.000 1.109 88 I CA -0.181 61.106 61.300 -0.022 0.000 1.412 88 I CB 0.328 38.307 38.000 -0.035 0.000 1.396 88 I HN 0.787 nan 8.210 nan 0.000 0.543 89 F N 7.261 127.163 119.950 -0.080 0.000 2.374 89 F HA 0.297 4.522 4.527 -0.503 0.000 0.291 89 F C 0.279 176.037 175.800 -0.070 0.000 1.084 89 F CA 0.312 58.270 58.000 -0.070 0.000 1.413 89 F CB 0.571 39.539 39.000 -0.054 0.000 1.099 89 F HN 0.296 nan 8.300 nan 0.000 0.534 90 L N 1.137 122.386 121.223 0.043 0.000 2.516 90 L HA 0.336 4.374 4.340 -0.503 0.000 0.267 90 L C -1.028 175.794 176.870 -0.080 0.000 0.957 90 L CA -0.455 54.336 54.840 -0.080 0.000 0.860 90 L CB 1.691 43.709 42.059 -0.068 0.000 1.265 90 L HN -0.046 nan 8.230 nan 0.000 0.403 91 E N 1.935 122.066 120.200 -0.115 0.000 2.366 91 E HA 0.118 4.166 4.350 -0.503 0.000 0.266 91 E C 0.447 176.980 176.600 -0.112 0.000 1.051 91 E CA 0.002 56.351 56.400 -0.085 0.000 0.884 91 E CB 0.720 30.371 29.700 -0.081 0.000 1.006 91 E HN 0.680 nan 8.360 nan 0.000 0.417 92 N N 1.029 119.721 118.700 -0.014 0.000 2.519 92 N HA -0.141 4.297 4.740 -0.503 0.000 0.186 92 N C 0.980 176.481 175.510 -0.016 0.000 1.062 92 N CA 0.792 53.886 53.050 0.074 0.000 0.910 92 N CB -0.042 38.521 38.487 0.125 0.000 0.958 92 N HN 0.135 nan 8.380 nan 0.000 0.445 93 S N -0.081 115.572 115.700 -0.078 0.000 2.383 93 S HA -0.135 4.033 4.470 -0.503 0.000 0.229 93 S C 1.673 176.171 174.600 -0.170 0.000 1.030 93 S CA 1.638 59.781 58.200 -0.095 0.000 1.002 93 S CB -0.738 62.412 63.200 -0.084 0.000 0.829 93 S HN 0.539 nan 8.310 nan 0.000 0.467 94 T N 1.778 116.163 114.554 -0.282 0.000 2.699 94 T HA -0.118 3.930 4.350 -0.503 0.000 0.268 94 T C 1.321 175.694 174.700 -0.545 0.000 1.036 94 T CA 1.405 63.230 62.100 -0.457 0.000 1.147 94 T CB -0.480 67.988 68.868 -0.667 0.000 0.862 94 T HN 0.355 nan 8.240 nan 0.000 0.446 95 F N 1.712 121.461 119.950 -0.336 0.000 2.259 95 F HA 0.018 4.243 4.527 -0.502 0.000 0.298 95 F C 2.218 177.816 175.800 -0.336 0.000 1.088 95 F CA 0.363 58.123 58.000 -0.400 0.000 1.358 95 F CB -0.588 38.233 39.000 -0.300 0.000 1.040 95 F HN 0.109 nan 8.300 nan 0.000 0.505 96 D N 0.232 120.588 120.400 -0.073 0.000 2.144 96 D HA -0.153 4.185 4.640 -0.503 0.000 0.199 96 D C 1.888 178.093 176.300 -0.158 0.000 0.984 96 D CA 1.163 55.102 54.000 -0.100 0.000 0.834 96 D CB -0.420 40.335 40.800 -0.076 0.000 0.955 96 D HN 0.399 nan 8.370 nan 0.000 0.465 97 E N 0.062 120.147 120.200 -0.191 0.000 2.347 97 E HA -0.007 4.041 4.350 -0.503 0.000 0.196 97 E C 2.181 178.620 176.600 -0.269 0.000 1.008 97 E CA 0.004 56.288 56.400 -0.194 0.000 0.852 97 E CB 0.101 29.704 29.700 -0.161 0.000 0.783 97 E HN 0.287 nan 8.360 nan 0.000 0.505 98 L N -0.429 120.542 121.223 -0.419 0.000 2.056 98 L HA -0.052 3.986 4.340 -0.503 0.000 0.207 98 L C 1.709 178.141 176.870 -0.729 0.000 1.078 98 L CA 1.113 55.539 54.840 -0.690 0.000 0.749 98 L CB -0.391 40.992 42.059 -1.127 0.000 0.901 98 L HN 0.377 nan 8.230 nan 0.000 0.433 99 G N -0.836 107.642 108.800 -0.537 0.000 2.131 99 G HA2 -0.278 3.380 3.960 -0.503 0.000 0.223 99 G HA3 -0.278 3.380 3.960 -0.503 0.000 0.223 99 G C -0.176 174.588 174.900 -0.227 0.000 0.990 99 G CA 0.155 45.066 45.100 -0.315 0.000 0.671 99 G HN 0.452 nan 8.290 nan 0.000 0.521 100 Y N -2.180 118.015 120.300 -0.175 0.000 2.624 100 Y HA 0.756 5.004 4.550 -0.503 0.000 0.334 100 Y C -0.088 175.738 175.900 -0.123 0.000 1.155 100 Y CA -1.587 56.419 58.100 -0.157 0.000 1.046 100 Y CB 0.387 38.678 38.460 -0.280 0.000 1.316 100 Y HN 0.172 nan 8.280 nan 0.000 0.457 101 S N 1.630 117.440 115.700 0.183 0.000 2.443 101 S HA 0.240 4.408 4.470 -0.503 0.000 0.284 101 S C -0.222 174.486 174.600 0.179 0.000 1.206 101 S CA -0.269 57.984 58.200 0.089 0.000 1.074 101 S CB -0.086 63.139 63.200 0.042 0.000 0.963 101 S HN 0.595 nan 8.310 nan 0.000 0.501 102 T N 4.132 118.742 114.554 0.094 0.000 2.737 102 T HA 0.094 4.142 4.350 -0.503 0.000 0.296 102 T C 1.499 176.208 174.700 0.015 0.000 0.922 102 T CA -0.425 61.757 62.100 0.136 0.000 1.079 102 T CB 0.312 69.188 68.868 0.013 0.000 0.892 102 T HN 0.620 nan 8.240 nan 0.000 0.514 103 N N 2.459 121.190 118.700 0.052 0.000 2.376 103 N HA -0.039 4.399 4.740 -0.503 0.000 0.177 103 N C -0.012 175.468 175.510 -0.051 0.000 1.024 103 N CA 0.694 53.709 53.050 -0.059 0.000 0.893 103 N CB 0.455 38.877 38.487 -0.108 0.000 0.980 103 N HN 0.642 nan 8.380 nan 0.000 0.439 104 D N -1.814 118.632 120.400 0.077 0.000 2.755 104 D HA 0.205 4.543 4.640 -0.503 0.000 0.277 104 D C -1.719 174.769 176.300 0.314 0.000 1.261 104 D CA -0.447 53.596 54.000 0.070 0.000 0.759 104 D CB 0.498 41.308 40.800 0.017 0.000 1.279 104 D HN 0.090 nan 8.370 nan 0.000 0.420 105 Y N -1.232 119.263 120.300 0.324 0.000 2.625 105 Y HA 0.789 5.037 4.550 -0.502 0.000 0.338 105 Y C -1.236 174.854 175.900 0.318 0.000 1.123 105 Y CA -1.062 57.282 58.100 0.407 0.000 1.046 105 Y CB 1.657 40.446 38.460 0.548 0.000 1.299 105 Y HN 0.199 nan 8.280 nan 0.000 0.464 106 S N 1.489 117.537 115.700 0.580 0.000 2.668 106 S HA 0.633 4.802 4.470 -0.503 0.000 0.277 106 S C -1.840 173.140 174.600 0.634 0.000 1.170 106 S CA -0.590 57.928 58.200 0.529 0.000 0.994 106 S CB 0.850 64.305 63.200 0.426 0.000 1.051 106 S HN 0.744 nan 8.310 nan 0.000 0.484 107 V N 5.110 125.278 119.914 0.425 0.000 2.498 107 V HA 0.417 4.235 4.120 -0.503 0.000 0.279 107 V C 0.886 176.843 176.094 -0.230 0.000 1.048 107 V CA -0.494 61.912 62.300 0.176 0.000 0.967 107 V CB 1.233 33.102 31.823 0.076 0.000 0.988 107 V HN 1.014 nan 8.190 nan 0.000 0.473 108 S N 6.828 122.052 115.700 -0.793 0.000 2.563 108 S HA 0.135 4.304 4.470 -0.503 0.000 0.284 108 S C -1.171 173.121 174.600 -0.514 0.000 1.331 108 S CA -0.642 56.700 58.200 -1.430 0.000 1.047 108 S CB 0.688 62.998 63.200 -1.485 0.000 0.859 108 S HN 0.652 nan 8.310 nan 0.000 0.514 109 P HA -0.151 nan 4.420 nan 0.000 0.218 109 P C 0.686 177.934 177.300 -0.087 0.000 1.148 109 P CA 1.580 64.601 63.100 -0.131 0.000 0.822 109 P CB -0.307 31.350 31.700 -0.072 0.000 0.784 110 D N -1.091 119.252 120.400 -0.095 0.000 2.336 110 D HA -0.065 4.273 4.640 -0.503 0.000 0.229 110 D C 0.541 176.823 176.300 -0.029 0.000 1.061 110 D CA -0.190 53.791 54.000 -0.032 0.000 0.875 110 D CB -0.766 40.043 40.800 0.015 0.000 0.904 110 D HN -0.005 nan 8.370 nan 0.000 0.525 111 R N -1.135 119.335 120.500 -0.050 0.000 3.758 111 R HA -0.235 3.803 4.340 -0.503 0.000 0.299 111 R C 0.838 177.114 176.300 -0.040 0.000 1.182 111 R CA 1.218 57.347 56.100 0.049 0.000 0.809 111 R CB -2.464 27.940 30.300 0.174 0.000 1.249 111 R HN 0.380 nan 8.270 nan 0.000 0.497 112 Q N -1.169 118.510 119.800 -0.202 0.000 2.391 112 Q HA 0.197 4.235 4.340 -0.503 0.000 0.211 112 Q C -0.220 175.279 176.000 -0.835 0.000 0.908 112 Q CA 0.664 56.153 55.803 -0.523 0.000 0.920 112 Q CB 0.490 28.848 28.738 -0.635 0.000 1.056 112 Q HN 0.188 nan 8.270 nan 0.000 0.523 113 F N -0.532 119.301 119.950 -0.195 0.000 2.629 113 F HA 0.549 4.774 4.527 -0.503 0.000 0.316 113 F C -0.692 175.109 175.800 0.002 0.000 1.081 113 F CA -1.231 56.712 58.000 -0.095 0.000 0.954 113 F CB 1.765 40.754 39.000 -0.018 0.000 1.337 113 F HN -0.224 nan 8.300 nan 0.000 0.474 114 I N 2.025 122.812 120.570 0.362 0.000 2.686 114 I HA 0.549 4.417 4.170 -0.503 0.000 0.295 114 I C -2.013 174.200 176.117 0.160 0.000 1.114 114 I CA -0.967 60.485 61.300 0.253 0.000 1.038 114 I CB 1.757 39.772 38.000 0.026 0.000 1.238 114 I HN 0.494 nan 8.210 nan 0.000 0.420 115 L N 7.490 128.888 121.223 0.292 0.000 2.309 115 L HA 0.556 4.594 4.340 -0.503 0.000 0.282 115 L C -1.452 175.533 176.870 0.191 0.000 1.036 115 L CA 0.171 55.126 54.840 0.192 0.000 0.806 115 L CB 1.170 43.324 42.059 0.157 0.000 1.220 115 L HN 0.404 nan 8.230 nan 0.000 0.429 116 F N 3.283 123.506 119.950 0.455 0.000 2.449 116 F HA 0.395 4.620 4.527 -0.503 0.000 0.342 116 F C 0.244 176.261 175.800 0.362 0.000 1.127 116 F CA -0.728 57.548 58.000 0.461 0.000 0.975 116 F CB 1.600 40.889 39.000 0.482 0.000 1.146 116 F HN 0.436 nan 8.300 nan 0.000 0.444 117 E N 4.837 125.299 120.200 0.437 0.000 2.156 117 E HA 0.370 4.418 4.350 -0.503 0.000 0.279 117 E C -1.606 175.012 176.600 0.029 0.000 0.965 117 E CA -0.524 55.836 56.400 -0.067 0.000 0.789 117 E CB 1.203 30.895 29.700 -0.013 0.000 1.098 117 E HN 0.587 nan 8.360 nan 0.000 0.397 118 Y N 1.569 121.656 120.300 -0.354 0.000 2.689 118 Y HA 0.446 4.695 4.550 -0.503 0.000 0.333 118 Y C -0.268 175.484 175.900 -0.247 0.000 1.190 118 Y CA -1.639 56.287 58.100 -0.290 0.000 1.063 118 Y CB 0.481 38.596 38.460 -0.575 0.000 1.294 118 Y HN 0.522 nan 8.280 nan 0.000 0.466 119 N N -0.319 118.327 118.700 -0.090 0.000 2.740 119 N HA -0.293 4.145 4.740 -0.503 0.000 0.248 119 N C -1.138 174.322 175.510 -0.083 0.000 1.062 119 N CA 0.888 53.872 53.050 -0.110 0.000 0.704 119 N CB -1.613 36.719 38.487 -0.258 0.000 0.968 119 N HN 0.865 nan 8.380 nan 0.000 0.547 120 Y N 0.076 120.279 120.300 -0.160 0.000 2.632 120 Y HA 0.248 4.496 4.550 -0.504 0.000 0.329 120 Y C 0.221 176.064 175.900 -0.095 0.000 1.174 120 Y CA 0.111 58.115 58.100 -0.160 0.000 1.469 120 Y CB 0.666 38.984 38.460 -0.236 0.000 1.242 120 Y HN 0.000 nan 8.280 nan 0.000 0.540 121 V N 7.927 127.651 119.914 -0.316 0.000 2.447 121 V HA 0.192 4.010 4.120 -0.503 0.000 0.292 121 V C -0.336 175.548 176.094 -0.350 0.000 1.021 121 V CA -1.392 60.790 62.300 -0.197 0.000 0.850 121 V CB 1.343 33.086 31.823 -0.133 0.000 1.005 121 V HN 0.722 nan 8.190 nan 0.000 0.426 122 K N 3.973 124.251 120.400 -0.203 0.000 2.382 122 K HA 0.248 4.266 4.320 -0.503 0.000 0.275 122 K C 0.362 176.835 176.600 -0.210 0.000 1.009 122 K CA 0.170 56.373 56.287 -0.140 0.000 0.970 122 K CB 1.286 33.846 32.500 0.100 0.000 0.934 122 K HN 0.810 nan 8.250 nan 0.000 0.479 123 Q N 2.903 122.524 119.800 -0.298 0.000 2.729 123 Q HA 0.186 4.224 4.340 -0.503 0.000 0.228 123 Q C -0.097 175.622 176.000 -0.468 0.000 1.021 123 Q CA -0.423 54.990 55.803 -0.651 0.000 0.561 123 Q CB 0.119 28.291 28.738 -0.944 0.000 3.921 123 Q HN 0.739 nan 8.270 nan 0.000 0.430 124 W N 0.169 121.445 121.300 -0.040 0.000 1.836 124 W HA 0.399 4.754 4.660 -0.509 0.000 0.628 124 W C 1.765 178.250 176.519 -0.056 0.000 1.626 124 W CA -0.735 56.616 57.345 0.010 0.000 1.714 124 W CB -0.146 29.288 29.460 -0.044 0.000 3.166 124 W HN 0.274 nan 8.180 nan 0.000 0.772 125 R N -0.554 120.016 120.500 0.117 0.000 2.096 125 R HA -0.155 3.883 4.340 -0.503 0.000 0.235 125 R C 1.605 177.693 176.300 -0.353 0.000 1.127 125 R CA 1.766 57.757 56.100 -0.181 0.000 0.968 125 R CB -0.343 29.720 30.300 -0.396 0.000 0.861 125 R HN 0.515 nan 8.270 nan 0.000 0.440 126 H N -1.598 117.521 119.070 0.081 0.000 3.091 126 H HA 0.155 4.411 4.556 -0.501 0.000 0.249 126 H C 0.567 175.946 175.328 0.085 0.000 0.985 126 H CA 0.427 56.542 56.048 0.112 0.000 1.177 126 H CB 0.298 30.109 29.762 0.082 0.000 1.456 126 H HN 0.121 nan 8.280 nan 0.000 0.467 127 S N 1.402 117.052 115.700 -0.084 0.000 2.592 127 S HA 0.396 4.564 4.470 -0.503 0.000 0.271 127 S C -0.293 174.129 174.600 -0.297 0.000 1.326 127 S CA -0.479 57.391 58.200 -0.550 0.000 1.024 127 S CB 0.827 63.150 63.200 -1.462 0.000 0.921 127 S HN 0.441 nan 8.310 nan 0.000 0.527 128 Y N -2.118 117.985 120.300 -0.329 0.000 2.741 128 Y HA 0.701 4.948 4.550 -0.505 0.000 0.339 128 Y C -0.801 174.984 175.900 -0.191 0.000 1.226 128 Y CA -0.912 56.955 58.100 -0.388 0.000 1.072 128 Y CB 0.555 38.595 38.460 -0.701 0.000 1.331 128 Y HN 0.881 nan 8.280 nan 0.000 0.453 129 T N -0.206 114.345 114.554 -0.004 0.000 2.924 129 T HA 1.019 5.068 4.350 -0.503 0.000 0.291 129 T C -0.564 174.184 174.700 0.080 0.000 1.045 129 T CA -0.191 61.938 62.100 0.049 0.000 1.015 129 T CB 1.802 70.671 68.868 0.000 0.000 1.103 129 T HN 1.882 nan 8.240 nan 0.000 0.496 130 A N 0.796 123.650 122.820 0.057 0.000 2.564 130 A HA 0.782 4.800 4.320 -0.503 0.000 0.291 130 A C -0.613 176.763 177.584 -0.347 0.000 1.102 130 A CA -0.977 50.950 52.037 -0.183 0.000 0.660 130 A CB 1.041 19.892 19.000 -0.249 0.000 1.283 130 A HN 0.867 nan 8.150 nan 0.000 0.430 131 S N -0.719 114.538 115.700 -0.739 0.000 2.651 131 S HA 0.817 4.985 4.470 -0.503 0.000 0.291 131 S C -1.509 172.478 174.600 -1.022 0.000 1.141 131 S CA -0.066 57.632 58.200 -0.836 0.000 1.027 131 S CB 0.676 63.074 63.200 -1.336 0.000 1.043 131 S HN 0.458 nan 8.310 nan 0.000 0.530 132 Y N 0.050 120.149 120.300 -0.336 0.000 2.504 132 Y HA 0.424 4.672 4.550 -0.503 0.000 0.344 132 Y C -0.468 175.494 175.900 0.105 0.000 1.023 132 Y CA -0.962 57.100 58.100 -0.063 0.000 1.020 132 Y CB 1.679 40.051 38.460 -0.145 0.000 1.282 132 Y HN 0.491 nan 8.280 nan 0.000 0.454 133 D N 2.566 123.233 120.400 0.445 0.000 2.342 133 D HA 0.566 4.904 4.640 -0.503 0.000 0.243 133 D C -0.775 175.712 176.300 0.313 0.000 1.019 133 D CA -0.305 53.930 54.000 0.390 0.000 0.864 133 D CB 2.468 43.593 40.800 0.541 0.000 1.315 133 D HN 0.397 nan 8.370 nan 0.000 0.468 134 I N 1.796 122.496 120.570 0.217 0.000 2.378 134 I HA 0.232 4.100 4.170 -0.503 0.000 0.291 134 I C -0.943 175.348 176.117 0.290 0.000 0.992 134 I CA -0.980 60.431 61.300 0.184 0.000 1.154 134 I CB 1.394 39.426 38.000 0.053 0.000 1.315 134 I HN 0.222 nan 8.210 nan 0.000 0.448 135 Y N 5.739 126.114 120.300 0.126 0.000 2.335 135 Y HA 0.293 4.542 4.550 -0.503 0.000 0.338 135 Y C -0.190 175.838 175.900 0.213 0.000 0.977 135 Y CA -0.786 57.400 58.100 0.144 0.000 1.114 135 Y CB 1.114 39.616 38.460 0.071 0.000 1.182 135 Y HN 0.489 nan 8.280 nan 0.000 0.463 136 D N 6.222 126.505 120.400 -0.196 0.000 2.339 136 D HA 0.073 4.411 4.640 -0.503 0.000 0.256 136 D C 0.589 176.512 176.300 -0.627 0.000 1.214 136 D CA 0.322 54.164 54.000 -0.264 0.000 0.877 136 D CB 1.001 41.711 40.800 -0.150 0.000 1.111 136 D HN 0.883 nan 8.370 nan 0.000 0.478 137 L N 3.665 124.586 121.223 -0.503 0.000 2.395 137 L HA -0.055 3.983 4.340 -0.503 0.000 0.218 137 L C 2.019 178.659 176.870 -0.384 0.000 1.130 137 L CA 0.187 54.792 54.840 -0.392 0.000 0.826 137 L CB -0.184 41.677 42.059 -0.329 0.000 0.941 137 L HN 0.374 nan 8.230 nan 0.000 0.451 138 N N 1.372 119.820 118.700 -0.420 0.000 2.124 138 N HA -0.132 4.306 4.740 -0.503 0.000 0.188 138 N C 1.485 176.842 175.510 -0.255 0.000 1.045 138 N CA 1.265 54.127 53.050 -0.313 0.000 0.846 138 N CB -0.120 38.180 38.487 -0.311 0.000 1.020 138 N HN 0.428 nan 8.380 nan 0.000 0.432 139 K N 1.402 121.644 120.400 -0.262 0.000 2.476 139 K HA 0.193 4.211 4.320 -0.503 0.000 0.196 139 K C -0.240 176.215 176.600 -0.242 0.000 1.025 139 K CA -0.143 56.023 56.287 -0.203 0.000 1.138 139 K CB 0.070 32.478 32.500 -0.154 0.000 0.860 139 K HN -0.007 nan 8.250 nan 0.000 0.515 140 R N 1.604 121.894 120.500 -0.349 0.000 3.118 140 R HA -0.221 3.817 4.340 -0.503 0.000 0.238 140 R C -0.909 175.163 176.300 -0.380 0.000 0.884 140 R CA 0.873 56.726 56.100 -0.412 0.000 0.601 140 R CB -1.854 28.377 30.300 -0.116 0.000 1.009 140 R HN 0.608 nan 8.270 nan 0.000 0.478 141 Q N 0.012 119.489 119.800 -0.538 0.000 2.423 141 Q HA 0.512 4.550 4.340 -0.503 0.000 0.278 141 Q C -0.575 175.299 176.000 -0.209 0.000 1.097 141 Q CA -1.068 54.604 55.803 -0.219 0.000 0.809 141 Q CB 2.515 31.188 28.738 -0.108 0.000 1.391 141 Q HN 0.231 nan 8.270 nan 0.000 0.428 142 L N 2.092 123.393 121.223 0.130 0.000 2.326 142 L HA 0.332 4.370 4.340 -0.503 0.000 0.278 142 L C -0.882 176.073 176.870 0.141 0.000 1.092 142 L CA -0.734 54.271 54.840 0.275 0.000 0.810 142 L CB 0.588 42.836 42.059 0.313 0.000 1.153 142 L HN 0.556 nan 8.230 nan 0.000 0.439 143 I N 3.456 124.114 120.570 0.146 0.000 2.471 143 I HA 0.061 3.929 4.170 -0.503 0.000 0.286 143 I C 1.263 177.428 176.117 0.081 0.000 1.079 143 I CA 0.549 61.901 61.300 0.086 0.000 1.398 143 I CB 1.444 39.479 38.000 0.058 0.000 1.403 143 I HN 0.676 nan 8.210 nan 0.000 0.530 144 T N 0.967 115.552 114.554 0.052 0.000 3.003 144 T HA 0.311 4.359 4.350 -0.503 0.000 0.261 144 T C 0.538 175.248 174.700 0.018 0.000 1.003 144 T CA -0.308 61.819 62.100 0.044 0.000 0.917 144 T CB 0.128 69.023 68.868 0.044 0.000 1.084 144 T HN 0.330 nan 8.240 nan 0.000 0.522 145 E N 2.311 122.516 120.200 0.008 0.000 2.231 145 E HA 0.272 4.320 4.350 -0.503 0.000 0.277 145 E C -0.037 176.548 176.600 -0.024 0.000 0.999 145 E CA -0.287 56.110 56.400 -0.006 0.000 0.827 145 E CB 0.754 30.452 29.700 -0.002 0.000 1.101 145 E HN 0.211 nan 8.360 nan 0.000 0.393 146 E N 1.069 121.247 120.200 -0.036 0.000 2.228 146 E HA -0.263 3.786 4.350 -0.503 0.000 0.213 146 E C -0.351 176.195 176.600 -0.089 0.000 1.282 146 E CA 0.724 57.089 56.400 -0.058 0.000 0.707 146 E CB -1.365 28.312 29.700 -0.039 0.000 1.150 146 E HN 0.425 nan 8.360 nan 0.000 0.362 147 R N -0.218 120.226 120.500 -0.094 0.000 2.738 147 R HA 0.316 4.355 4.340 -0.503 0.000 0.268 147 R C 1.192 177.356 176.300 -0.227 0.000 1.062 147 R CA -0.386 55.646 56.100 -0.113 0.000 1.158 147 R CB 0.446 30.709 30.300 -0.060 0.000 1.046 147 R HN 0.128 nan 8.270 nan 0.000 0.493 148 I N 3.262 123.666 120.570 -0.277 0.000 2.588 148 I HA 0.056 3.924 4.170 -0.503 0.000 0.283 148 I C -1.727 174.116 176.117 -0.456 0.000 1.119 148 I CA -1.770 59.220 61.300 -0.516 0.000 1.419 148 I CB 0.510 38.208 38.000 -0.503 0.000 1.394 148 I HN 0.295 nan 8.210 nan 0.000 0.562 149 P HA 0.097 nan 4.420 nan 0.000 0.270 149 P C -1.054 176.051 177.300 -0.325 0.000 1.223 149 P CA -0.282 62.449 63.100 -0.616 0.000 0.785 149 P CB 0.365 31.285 31.700 -1.301 0.000 0.923 150 N N 1.318 119.914 118.700 -0.174 0.000 2.381 150 N HA 0.136 4.574 4.740 -0.503 0.000 0.254 150 N C 0.335 175.915 175.510 0.116 0.000 1.264 150 N CA -0.137 52.871 53.050 -0.070 0.000 0.942 150 N CB -0.277 38.180 38.487 -0.049 0.000 1.190 150 N HN 0.340 nan 8.380 nan 0.000 0.495 151 N N -1.899 116.846 118.700 0.075 0.000 2.741 151 N HA -0.177 4.261 4.740 -0.503 0.000 0.250 151 N C -0.976 174.690 175.510 0.260 0.000 1.115 151 N CA 0.789 53.922 53.050 0.138 0.000 0.724 151 N CB -1.793 36.786 38.487 0.153 0.000 1.090 151 N HN 0.500 nan 8.380 nan 0.000 0.558 152 T N 0.848 115.557 114.554 0.258 0.000 2.916 152 T HA 0.092 4.140 4.350 -0.503 0.000 0.303 152 T C 1.707 176.551 174.700 0.240 0.000 1.025 152 T CA 0.163 62.441 62.100 0.296 0.000 1.142 152 T CB 1.110 70.065 68.868 0.145 0.000 0.947 152 T HN 0.173 nan 8.240 nan 0.000 0.544 153 Q N 1.779 121.715 119.800 0.226 0.000 2.250 153 Q HA 0.159 4.197 4.340 -0.503 0.000 0.200 153 Q C 0.165 176.317 176.000 0.252 0.000 0.941 153 Q CA 0.420 56.365 55.803 0.237 0.000 0.872 153 Q CB 0.769 29.629 28.738 0.203 0.000 0.965 153 Q HN 0.701 nan 8.270 nan 0.000 0.480 154 W N -0.107 121.159 121.300 -0.057 0.000 3.571 154 W HA 0.560 4.918 4.660 -0.504 0.000 0.294 154 W C -2.323 174.126 176.519 -0.117 0.000 1.257 154 W CA -0.733 56.538 57.345 -0.123 0.000 1.206 154 W CB 1.214 30.546 29.460 -0.214 0.000 1.325 154 W HN -0.089 nan 8.180 nan 0.000 0.546 155 I N 4.205 124.013 120.570 -1.269 0.000 2.775 155 I HA 0.566 4.435 4.170 -0.503 0.000 0.295 155 I C -1.660 173.852 176.117 -1.009 0.000 1.287 155 I CA -0.008 60.741 61.300 -0.919 0.000 1.029 155 I CB 2.566 40.001 38.000 -0.942 0.000 1.282 155 I HN 0.340 nan 8.210 nan 0.000 0.426 156 T N 4.866 119.139 114.554 -0.468 0.000 2.982 156 T HA 0.454 4.502 4.350 -0.503 0.000 0.321 156 T C -1.564 173.142 174.700 0.010 0.000 1.229 156 T CA -0.268 61.722 62.100 -0.183 0.000 1.044 156 T CB 0.684 69.660 68.868 0.180 0.000 1.184 156 T HN 0.536 nan 8.240 nan 0.000 0.477 157 W N 2.873 124.210 121.300 0.061 0.000 2.129 157 W HA 0.464 4.822 4.660 -0.502 0.000 0.349 157 W C 1.278 177.686 176.519 -0.185 0.000 1.279 157 W CA -0.538 56.799 57.345 -0.013 0.000 1.306 157 W CB 0.573 30.027 29.460 -0.009 0.000 1.140 157 W HN 0.796 nan 8.180 nan 0.000 0.613 158 S N 0.976 116.475 115.700 -0.335 0.000 2.608 158 S HA 0.138 4.306 4.470 -0.503 0.000 0.261 158 S C -1.869 172.521 174.600 -0.350 0.000 1.314 158 S CA -0.931 56.591 58.200 -1.130 0.000 0.992 158 S CB 0.610 62.985 63.200 -1.376 0.000 0.935 158 S HN 0.280 nan 8.310 nan 0.000 0.564 159 P HA 0.083 nan 4.420 nan 0.000 0.226 159 P C 0.118 177.383 177.300 -0.058 0.000 1.153 159 P CA 0.551 63.627 63.100 -0.041 0.000 0.777 159 P CB -0.173 31.540 31.700 0.021 0.000 0.794 160 V N -6.676 113.156 119.914 -0.137 0.000 3.078 160 V HA 0.890 4.708 4.120 -0.503 0.000 0.311 160 V C 0.467 176.457 176.094 -0.173 0.000 1.138 160 V CA -0.388 61.844 62.300 -0.114 0.000 1.007 160 V CB 1.051 32.819 31.823 -0.092 0.000 1.045 160 V HN 0.364 nan 8.190 nan 0.000 0.432 161 G N 1.884 110.594 108.800 -0.150 0.000 2.528 161 G HA2 -0.177 3.482 3.960 -0.503 0.000 0.262 161 G HA3 -0.177 3.482 3.960 -0.503 0.000 0.262 161 G C 0.205 175.001 174.900 -0.173 0.000 1.200 161 G CA 0.819 45.789 45.100 -0.218 0.000 0.951 161 G HN 2.567 nan 8.290 nan 0.000 0.566 162 H N -0.624 118.428 119.070 -0.031 0.000 3.064 162 H HA 0.431 4.685 4.556 -0.503 0.000 0.232 162 H C 0.247 175.740 175.328 0.275 0.000 1.308 162 H CA -0.188 55.896 56.048 0.061 0.000 1.010 162 H CB -0.200 29.620 29.762 0.096 0.000 2.408 162 H HN 0.506 nan 8.280 nan 0.000 0.599 163 K N 1.589 122.032 120.400 0.072 0.000 2.168 163 K HA 0.506 4.525 4.320 -0.503 0.000 0.258 163 K C -0.408 176.304 176.600 0.187 0.000 1.010 163 K CA -0.408 55.915 56.287 0.061 0.000 0.929 163 K CB 1.633 34.000 32.500 -0.222 0.000 0.998 163 K HN 0.140 nan 8.250 nan 0.000 0.479 164 L N 1.049 122.396 121.223 0.206 0.000 2.381 164 L HA 0.598 4.636 4.340 -0.503 0.000 0.268 164 L C -0.943 176.131 176.870 0.340 0.000 0.997 164 L CA -0.841 54.087 54.840 0.147 0.000 0.818 164 L CB 2.156 44.140 42.059 -0.125 0.000 1.310 164 L HN 0.701 nan 8.230 nan 0.000 0.416 165 A N 2.387 125.414 122.820 0.346 0.000 2.371 165 A HA 0.872 4.890 4.320 -0.503 0.000 0.311 165 A C -1.652 175.977 177.584 0.075 0.000 1.068 165 A CA -0.389 51.738 52.037 0.150 0.000 0.744 165 A CB 1.383 20.383 19.000 -0.000 0.000 1.239 165 A HN 0.665 nan 8.150 nan 0.000 0.435 166 Y N -0.926 119.341 120.300 -0.054 0.000 2.597 166 Y HA 0.742 4.990 4.550 -0.504 0.000 0.340 166 Y C -1.311 174.611 175.900 0.037 0.000 1.097 166 Y CA -1.532 56.512 58.100 -0.093 0.000 1.037 166 Y CB 0.982 39.318 38.460 -0.207 0.000 1.305 166 Y HN 0.427 nan 8.280 nan 0.000 0.463 167 V N 2.080 122.144 119.914 0.250 0.000 2.459 167 V HA 0.408 4.226 4.120 -0.503 0.000 0.295 167 V C -1.410 174.917 176.094 0.388 0.000 1.029 167 V CA -0.567 61.858 62.300 0.209 0.000 0.874 167 V CB 1.385 33.249 31.823 0.068 0.000 0.985 167 V HN 0.874 nan 8.190 nan 0.000 0.438 168 W N 4.775 126.184 121.300 0.181 0.000 3.097 168 W HA 0.456 4.815 4.660 -0.501 0.000 0.335 168 W C 0.230 176.806 176.519 0.094 0.000 1.114 168 W CA -0.762 56.654 57.345 0.119 0.000 1.231 168 W CB 1.229 30.723 29.460 0.057 0.000 1.388 168 W HN 0.778 nan 8.180 nan 0.000 0.485 169 N N 5.340 123.670 118.700 -0.617 0.000 2.727 169 N HA -0.350 4.088 4.740 -0.503 0.000 0.249 169 N C 0.161 175.505 175.510 -0.276 0.000 1.048 169 N CA 1.090 53.773 53.050 -0.610 0.000 0.714 169 N CB -1.104 36.795 38.487 -0.979 0.000 0.959 169 N HN 0.852 nan 8.380 nan 0.000 0.544 170 N N -1.796 116.811 118.700 -0.156 0.000 2.828 170 N HA -0.179 4.259 4.740 -0.503 0.000 0.248 170 N C -1.320 174.120 175.510 -0.116 0.000 1.044 170 N CA 1.069 54.049 53.050 -0.116 0.000 0.851 170 N CB -0.293 38.072 38.487 -0.203 0.000 1.136 170 N HN 0.431 nan 8.380 nan 0.000 0.572 171 D N 0.317 120.662 120.400 -0.093 0.000 2.433 171 D HA 0.485 4.823 4.640 -0.503 0.000 0.236 171 D C 0.099 176.249 176.300 -0.250 0.000 1.026 171 D CA -0.398 53.463 54.000 -0.231 0.000 0.884 171 D CB 1.652 42.245 40.800 -0.345 0.000 1.384 171 D HN 0.012 nan 8.370 nan 0.000 0.477 172 I N 1.403 121.657 120.570 -0.526 0.000 2.440 172 I HA 0.251 4.119 4.170 -0.503 0.000 0.294 172 I C -0.730 174.888 176.117 -0.830 0.000 0.995 172 I CA -0.393 60.582 61.300 -0.542 0.000 1.306 172 I CB 0.600 38.215 38.000 -0.642 0.000 1.407 172 I HN 0.167 nan 8.210 nan 0.000 0.501 173 Y N 3.706 123.617 120.300 -0.647 0.000 2.492 173 Y HA 0.572 4.820 4.550 -0.504 0.000 0.346 173 Y C -0.500 175.032 175.900 -0.614 0.000 0.997 173 Y CA -0.894 56.771 58.100 -0.725 0.000 1.025 173 Y CB 2.047 39.804 38.460 -1.171 0.000 1.263 173 Y HN 0.095 nan 8.280 nan 0.000 0.454 174 V N 3.330 123.131 119.914 -0.189 0.000 2.540 174 V HA 0.461 4.279 4.120 -0.503 0.000 0.302 174 V C -0.812 175.320 176.094 0.063 0.000 1.035 174 V CA -1.329 60.953 62.300 -0.030 0.000 0.873 174 V CB 1.874 33.702 31.823 0.009 0.000 0.992 174 V HN 0.616 nan 8.190 nan 0.000 0.428 175 K N 3.546 124.026 120.400 0.133 0.000 2.449 175 K HA 0.428 4.446 4.320 -0.503 0.000 0.257 175 K C 0.580 177.259 176.600 0.130 0.000 0.989 175 K CA -0.254 56.107 56.287 0.122 0.000 0.916 175 K CB 1.311 33.879 32.500 0.113 0.000 1.136 175 K HN 0.613 nan 8.250 nan 0.000 0.439 176 N N 1.462 120.230 118.700 0.114 0.000 2.270 176 N HA -0.088 4.350 4.740 -0.503 0.000 0.181 176 N C -0.307 175.285 175.510 0.137 0.000 1.016 176 N CA 0.824 53.940 53.050 0.111 0.000 0.870 176 N CB 0.399 38.937 38.487 0.085 0.000 0.979 176 N HN 0.438 nan 8.380 nan 0.000 0.431 177 E N -0.714 119.548 120.200 0.104 0.000 2.272 177 E HA 0.186 4.234 4.350 -0.503 0.000 0.269 177 E C -2.005 174.565 176.600 -0.051 0.000 0.877 177 E CA -1.899 54.549 56.400 0.079 0.000 0.755 177 E CB 1.994 31.742 29.700 0.080 0.000 1.192 177 E HN -0.144 nan 8.360 nan 0.000 0.422 178 P HA -0.183 nan 4.420 nan 0.000 0.217 178 P C 0.834 178.036 177.300 -0.163 0.000 1.148 178 P CA 1.383 64.295 63.100 -0.313 0.000 0.828 178 P CB 0.300 31.532 31.700 -0.780 0.000 0.783 179 N N -1.784 116.850 118.700 -0.109 0.000 2.336 179 N HA -0.005 4.434 4.740 -0.503 0.000 0.189 179 N C 0.189 175.689 175.510 -0.016 0.000 1.113 179 N CA 0.412 53.438 53.050 -0.042 0.000 0.858 179 N CB -0.106 38.376 38.487 -0.009 0.000 0.970 179 N HN 0.095 nan 8.380 nan 0.000 0.471 180 L N 0.926 122.144 121.223 -0.009 0.000 2.375 180 L HA 0.295 4.333 4.340 -0.503 0.000 0.268 180 L C 0.852 177.730 176.870 0.013 0.000 1.058 180 L CA -0.446 54.401 54.840 0.012 0.000 0.803 180 L CB 1.412 43.490 42.059 0.031 0.000 1.212 180 L HN 0.037 nan 8.230 nan 0.000 0.451 181 S N 0.899 116.611 115.700 0.020 0.000 2.572 181 S HA 0.159 4.327 4.470 -0.503 0.000 0.279 181 S C 0.380 175.008 174.600 0.046 0.000 1.341 181 S CA -0.496 57.718 58.200 0.023 0.000 1.043 181 S CB 0.480 63.696 63.200 0.027 0.000 0.887 181 S HN 0.702 nan 8.310 nan 0.000 0.516 182 S N 2.945 118.682 115.700 0.062 0.000 2.617 182 S HA 0.441 4.609 4.470 -0.503 0.000 0.269 182 S C -0.479 174.180 174.600 0.097 0.000 1.292 182 S CA -0.681 57.577 58.200 0.097 0.000 1.010 182 S CB 1.130 64.427 63.200 0.161 0.000 0.944 182 S HN 0.769 nan 8.310 nan 0.000 0.536 183 Q N 1.098 120.939 119.800 0.068 0.000 2.325 183 Q HA 0.366 4.404 4.340 -0.503 0.000 0.262 183 Q C -0.505 175.450 176.000 -0.074 0.000 0.968 183 Q CA -0.444 55.381 55.803 0.036 0.000 0.877 183 Q CB 1.185 29.941 28.738 0.030 0.000 1.253 183 Q HN 0.732 nan 8.270 nan 0.000 0.448 184 R N 4.532 124.943 120.500 -0.148 0.000 2.491 184 R HA 0.142 4.181 4.340 -0.503 0.000 0.283 184 R C 0.089 176.101 176.300 -0.481 0.000 1.072 184 R CA -0.084 55.628 56.100 -0.646 0.000 1.048 184 R CB 0.475 30.180 30.300 -0.991 0.000 0.983 184 R HN 0.774 nan 8.270 nan 0.000 0.450 185 I N 1.702 121.876 120.570 -0.660 0.000 3.172 185 I HA 0.000 3.869 4.170 -0.503 0.000 0.278 185 I C 1.047 176.928 176.117 -0.393 0.000 1.174 185 I CA 0.846 61.897 61.300 -0.414 0.000 1.445 185 I CB -0.430 37.291 38.000 -0.463 0.000 1.175 185 I HN 0.623 nan 8.210 nan 0.000 0.447 186 T N -3.804 110.365 114.554 -0.642 0.000 2.907 186 T HA 0.418 4.466 4.350 -0.503 0.000 0.292 186 T C -0.659 173.672 174.700 -0.614 0.000 1.043 186 T CA -0.476 61.363 62.100 -0.436 0.000 1.003 186 T CB 1.977 70.583 68.868 -0.436 0.000 1.084 186 T HN 0.150 nan 8.240 nan 0.000 0.483 187 W N 0.301 121.488 121.300 -0.187 0.000 2.714 187 W HA 0.232 4.591 4.660 -0.503 0.000 0.353 187 W C 1.960 178.423 176.519 -0.094 0.000 0.999 187 W CA -0.031 57.238 57.345 -0.126 0.000 1.629 187 W CB 0.265 29.668 29.460 -0.094 0.000 1.106 187 W HN 0.923 nan 8.180 nan 0.000 0.545 188 T N -2.697 111.886 114.554 0.048 0.000 3.081 188 T HA 0.264 4.312 4.350 -0.503 0.000 0.250 188 T C 1.271 175.955 174.700 -0.027 0.000 1.100 188 T CA 0.228 62.344 62.100 0.026 0.000 1.038 188 T CB -0.218 68.669 68.868 0.032 0.000 0.962 188 T HN 0.002 nan 8.240 nan 0.000 0.516 189 G N 1.341 110.093 108.800 -0.080 0.000 2.224 189 G HA2 0.319 3.978 3.960 -0.503 0.000 0.239 189 G HA3 0.319 3.978 3.960 -0.503 0.000 0.239 189 G C -0.588 174.236 174.900 -0.128 0.000 1.240 189 G CA -0.323 44.705 45.100 -0.120 0.000 0.896 189 G HN 0.571 nan 8.290 nan 0.000 0.496 190 K N 1.959 122.255 120.400 -0.174 0.000 2.588 190 K HA 0.158 4.176 4.320 -0.503 0.000 0.250 190 K C -0.195 176.262 176.600 -0.239 0.000 0.972 190 K CA -0.676 55.515 56.287 -0.162 0.000 0.821 190 K CB 1.620 34.064 32.500 -0.094 0.000 1.249 190 K HN 0.664 nan 8.250 nan 0.000 0.442 191 E N 3.535 123.613 120.200 -0.204 0.000 2.652 191 E HA -0.196 3.852 4.350 -0.503 0.000 0.255 191 E C -0.337 176.172 176.600 -0.152 0.000 0.952 191 E CA 1.183 57.468 56.400 -0.192 0.000 0.947 191 E CB 0.016 29.643 29.700 -0.121 0.000 0.912 191 E HN 0.796 nan 8.360 nan 0.000 0.489 192 N N 1.559 120.172 118.700 -0.145 0.000 2.778 192 N HA -0.267 4.171 4.740 -0.503 0.000 0.249 192 N C 0.105 175.646 175.510 0.052 0.000 1.069 192 N CA 0.538 53.616 53.050 0.047 0.000 0.831 192 N CB -0.411 38.117 38.487 0.068 0.000 1.142 192 N HN 0.302 nan 8.380 nan 0.000 0.573 193 V N -0.884 118.965 119.914 -0.108 0.000 3.442 193 V HA 0.270 4.089 4.120 -0.503 0.000 0.205 193 V C 0.122 176.249 176.094 0.054 0.000 1.320 193 V CA 0.404 62.718 62.300 0.023 0.000 1.306 193 V CB 0.757 32.578 31.823 -0.003 0.000 1.267 193 V HN 0.076 nan 8.190 nan 0.000 0.538 194 I N 1.071 121.577 120.570 -0.107 0.000 2.389 194 I HA 0.456 4.324 4.170 -0.503 0.000 0.288 194 I C -1.530 174.511 176.117 -0.127 0.000 0.999 194 I CA -0.518 60.787 61.300 0.009 0.000 1.129 194 I CB 1.171 39.178 38.000 0.012 0.000 1.288 194 I HN 0.247 nan 8.210 nan 0.000 0.444 195 Y N 4.633 125.012 120.300 0.131 0.000 2.328 195 Y HA 0.397 4.644 4.550 -0.505 0.000 0.333 195 Y C 0.352 176.323 175.900 0.118 0.000 0.958 195 Y CA -0.791 57.390 58.100 0.134 0.000 1.167 195 Y CB 1.090 39.687 38.460 0.228 0.000 1.151 195 Y HN 0.406 nan 8.280 nan 0.000 0.470 196 N N 2.300 121.075 118.700 0.125 0.000 2.444 196 N HA 0.365 4.803 4.740 -0.503 0.000 0.262 196 N C 0.846 176.328 175.510 -0.047 0.000 0.974 196 N CA 0.454 53.524 53.050 0.033 0.000 0.933 196 N CB 1.847 40.232 38.487 -0.171 0.000 1.137 196 N HN 0.993 nan 8.380 nan 0.000 0.498 197 G N 0.521 109.342 108.800 0.034 0.000 2.199 197 G HA2 -0.277 3.381 3.960 -0.503 0.000 0.254 197 G HA3 -0.277 3.381 3.960 -0.503 0.000 0.254 197 G C 0.024 174.834 174.900 -0.150 0.000 0.982 197 G CA 0.663 45.716 45.100 -0.078 0.000 0.632 197 G HN 0.679 nan 8.290 nan 0.000 0.529 198 V N -1.718 118.145 119.914 -0.086 0.000 3.040 198 V HA 0.935 4.754 4.120 -0.503 0.000 0.312 198 V C 0.388 176.449 176.094 -0.055 0.000 1.115 198 V CA 0.012 62.119 62.300 -0.321 0.000 0.998 198 V CB 1.459 32.766 31.823 -0.859 0.000 1.042 198 V HN 1.135 nan 8.190 nan 0.000 0.433 199 T N 0.039 114.452 114.554 -0.234 0.000 2.849 199 T HA 0.465 4.514 4.350 -0.503 0.000 0.284 199 T C -0.094 174.264 174.700 -0.570 0.000 1.004 199 T CA -0.095 61.615 62.100 -0.650 0.000 1.021 199 T CB 1.078 69.560 68.868 -0.642 0.000 1.013 199 T HN 1.111 nan 8.240 nan 0.000 0.527 200 D N -0.060 119.764 120.400 -0.961 0.000 2.478 200 D HA 0.035 4.373 4.640 -0.503 0.000 0.274 200 D C 0.920 177.005 176.300 -0.358 0.000 1.234 200 D CA -1.111 52.352 54.000 -0.895 0.000 1.069 200 D CB 0.119 40.428 40.800 -0.819 0.000 1.113 200 D HN 0.700 nan 8.370 nan 0.000 0.571 201 W N 0.096 121.236 121.300 -0.268 0.000 2.335 201 W HA -0.184 4.180 4.660 -0.493 0.000 0.311 201 W C 2.094 178.438 176.519 -0.291 0.000 1.213 201 W CA 2.131 59.331 57.345 -0.242 0.000 1.274 201 W CB -0.363 28.910 29.460 -0.313 0.000 1.148 201 W HN 0.193 nan 8.180 nan 0.000 0.498 202 V N -0.279 119.582 119.914 -0.088 0.000 2.591 202 V HA -0.246 3.573 4.120 -0.503 0.000 0.249 202 V C 1.800 177.616 176.094 -0.463 0.000 1.053 202 V CA 1.757 63.900 62.300 -0.262 0.000 1.068 202 V CB -0.683 31.044 31.823 -0.161 0.000 0.689 202 V HN 0.262 nan 8.190 nan 0.000 0.462 203 Y N 0.769 120.734 120.300 -0.558 0.000 2.242 203 Y HA -0.159 4.089 4.550 -0.504 0.000 0.291 203 Y C 2.553 178.088 175.900 -0.608 0.000 1.137 203 Y CA 2.092 59.775 58.100 -0.695 0.000 1.181 203 Y CB -0.056 37.702 38.460 -1.170 0.000 0.989 203 Y HN 0.395 nan 8.280 nan 0.000 0.527 204 E N 0.338 120.295 120.200 -0.405 0.000 2.031 204 E HA -0.296 3.752 4.350 -0.503 0.000 0.193 204 E C 2.032 178.504 176.600 -0.213 0.000 0.994 204 E CA 1.610 57.859 56.400 -0.251 0.000 0.800 204 E CB -0.024 29.551 29.700 -0.208 0.000 0.752 204 E HN 0.391 nan 8.360 nan 0.000 0.447 205 E N 0.155 120.046 120.200 -0.514 0.000 2.072 205 E HA -0.146 3.902 4.350 -0.503 0.000 0.190 205 E C 1.545 178.008 176.600 -0.228 0.000 0.982 205 E CA 1.477 57.600 56.400 -0.462 0.000 0.803 205 E CB 0.193 29.262 29.700 -1.053 0.000 0.755 205 E HN 0.242 nan 8.360 nan 0.000 0.453 206 E N -0.894 119.144 120.200 -0.269 0.000 2.473 206 E HA 0.111 4.159 4.350 -0.503 0.000 0.204 206 E C 1.535 178.060 176.600 -0.125 0.000 0.994 206 E CA 0.272 56.588 56.400 -0.139 0.000 0.945 206 E CB 1.154 30.754 29.700 -0.167 0.000 0.990 206 E HN 0.186 nan 8.360 nan 0.000 0.493 207 V N -0.139 119.682 119.914 -0.156 0.000 2.870 207 V HA 0.034 3.852 4.120 -0.503 0.000 0.232 207 V C 1.535 177.822 176.094 0.322 0.000 1.161 207 V CA 0.585 62.881 62.300 -0.006 0.000 1.204 207 V CB -0.224 31.485 31.823 -0.190 0.000 1.003 207 V HN 0.025 nan 8.190 nan 0.000 0.499 208 F N 0.760 120.712 119.950 0.004 0.000 2.569 208 F HA 0.284 4.510 4.527 -0.502 0.000 0.295 208 F C 1.684 177.442 175.800 -0.070 0.000 1.115 208 F CA 0.103 58.118 58.000 0.025 0.000 1.450 208 F CB -0.944 38.090 39.000 0.056 0.000 1.107 208 F HN 0.157 nan 8.300 nan 0.000 0.563 209 S N 0.135 115.877 115.700 0.070 0.000 3.614 209 S HA 0.042 4.211 4.470 -0.503 0.000 0.360 209 S C 0.123 174.343 174.600 -0.633 0.000 1.023 209 S CA 0.476 58.574 58.200 -0.171 0.000 1.114 209 S CB -1.651 61.511 63.200 -0.063 0.000 0.907 209 S HN 0.694 nan 8.310 nan 0.000 0.470 210 A N -0.569 122.077 122.820 -0.290 0.000 2.586 210 A HA 0.700 4.718 4.320 -0.503 0.000 0.291 210 A C -0.433 177.157 177.584 0.009 0.000 1.062 210 A CA -0.438 51.468 52.037 -0.217 0.000 0.666 210 A CB 0.292 19.216 19.000 -0.127 0.000 1.281 210 A HN 0.419 nan 8.150 nan 0.000 0.421 211 Y N 1.063 121.238 120.300 -0.208 0.000 2.476 211 Y HA 0.290 4.540 4.550 -0.500 0.000 0.283 211 Y C 1.434 177.091 175.900 -0.405 0.000 1.109 211 Y CA 0.782 58.747 58.100 -0.225 0.000 1.246 211 Y CB 0.099 38.470 38.460 -0.149 0.000 1.068 211 Y HN 0.677 nan 8.280 nan 0.000 0.552 212 S N 0.726 115.998 115.700 -0.714 0.000 2.549 212 S HA 0.474 4.642 4.470 -0.503 0.000 0.283 212 S C 0.288 174.534 174.600 -0.590 0.000 1.320 212 S CA 0.224 57.728 58.200 -1.160 0.000 1.058 212 S CB 0.458 62.569 63.200 -1.814 0.000 0.882 212 S HN 0.435 nan 8.310 nan 0.000 0.498 213 A N 4.334 126.786 122.820 -0.613 0.000 2.992 213 A HA 0.517 4.535 4.320 -0.503 0.000 0.263 213 A C -0.854 176.169 177.584 -0.934 0.000 0.928 213 A CA -0.611 51.109 52.037 -0.527 0.000 1.061 213 A CB -0.355 18.765 19.000 0.201 0.000 1.173 213 A HN 0.920 nan 8.150 nan 0.000 0.482 214 L N -4.743 115.743 121.223 -1.229 0.000 2.445 214 L HA 0.919 4.957 4.340 -0.503 0.000 0.262 214 L C -1.418 175.039 176.870 -0.688 0.000 0.974 214 L CA -1.245 53.175 54.840 -0.700 0.000 0.822 214 L CB 1.070 42.958 42.059 -0.285 0.000 1.339 214 L HN 0.219 nan 8.230 nan 0.000 0.409 215 W N 1.969 123.360 121.300 0.152 0.000 2.728 215 W HA 0.316 4.674 4.660 -0.503 0.000 0.324 215 W C -1.505 175.269 176.519 0.425 0.000 1.012 215 W CA -0.756 56.789 57.345 0.333 0.000 1.279 215 W CB 1.397 31.090 29.460 0.390 0.000 1.289 215 W HN 0.626 nan 8.180 nan 0.000 0.418 216 W N 2.415 123.949 121.300 0.390 0.000 2.170 216 W HA 0.229 4.587 4.660 -0.503 0.000 0.336 216 W C 1.309 177.647 176.519 -0.302 0.000 1.283 216 W CA 0.377 57.802 57.345 0.133 0.000 1.224 216 W CB 0.841 30.349 29.460 0.080 0.000 1.132 216 W HN 0.177 nan 8.180 nan 0.000 0.571 217 S N 2.295 117.713 115.700 -0.470 0.000 2.600 217 S HA 0.182 4.350 4.470 -0.503 0.000 0.265 217 S C -1.808 172.533 174.600 -0.432 0.000 1.325 217 S CA -1.027 56.337 58.200 -1.394 0.000 1.002 217 S CB 1.016 63.465 63.200 -1.252 0.000 0.921 217 S HN 0.286 nan 8.310 nan 0.000 0.554 218 P HA -0.116 nan 4.420 nan 0.000 0.216 218 P C 0.798 178.063 177.300 -0.058 0.000 1.154 218 P CA 1.438 64.503 63.100 -0.057 0.000 0.865 218 P CB -0.061 31.654 31.700 0.026 0.000 0.789 219 N N -2.255 116.394 118.700 -0.084 0.000 2.235 219 N HA 0.160 4.598 4.740 -0.503 0.000 0.209 219 N C 0.877 176.315 175.510 -0.120 0.000 1.122 219 N CA 0.564 53.565 53.050 -0.082 0.000 0.845 219 N CB -0.392 38.063 38.487 -0.055 0.000 1.004 219 N HN 0.026 nan 8.380 nan 0.000 0.499 220 G N -0.976 107.754 108.800 -0.116 0.000 2.162 220 G HA2 -0.331 3.327 3.960 -0.503 0.000 0.260 220 G HA3 -0.331 3.327 3.960 -0.503 0.000 0.260 220 G C 1.138 176.055 174.900 0.028 0.000 0.976 220 G CA 1.006 46.052 45.100 -0.089 0.000 0.655 220 G HN 0.390 nan 8.290 nan 0.000 0.533 221 T N -0.292 114.195 114.554 -0.112 0.000 2.737 221 T HA 0.215 4.263 4.350 -0.503 0.000 0.265 221 T C 0.786 175.252 174.700 -0.390 0.000 1.038 221 T CA 1.413 63.305 62.100 -0.347 0.000 1.144 221 T CB -0.061 68.423 68.868 -0.639 0.000 0.866 221 T HN 0.332 nan 8.240 nan 0.000 0.434 222 F N -0.040 119.961 119.950 0.085 0.000 2.538 222 F HA 0.659 4.884 4.527 -0.503 0.000 0.325 222 F C -0.411 175.473 175.800 0.140 0.000 1.066 222 F CA -1.656 56.434 58.000 0.150 0.000 0.946 222 F CB 1.405 40.559 39.000 0.257 0.000 1.199 222 F HN -0.154 nan 8.300 nan 0.000 0.473 223 L N 2.561 123.952 121.223 0.280 0.000 2.377 223 L HA 0.810 4.848 4.340 -0.503 0.000 0.270 223 L C -0.592 176.391 176.870 0.189 0.000 0.991 223 L CA -0.489 54.335 54.840 -0.028 0.000 0.851 223 L CB 0.674 42.408 42.059 -0.542 0.000 1.218 223 L HN 0.685 nan 8.230 nan 0.000 0.420 224 A N 4.615 127.645 122.820 0.350 0.000 2.304 224 A HA 0.739 4.757 4.320 -0.503 0.000 0.301 224 A C -1.259 176.453 177.584 0.213 0.000 1.132 224 A CA -0.166 51.966 52.037 0.158 0.000 0.819 224 A CB 0.467 19.611 19.000 0.240 0.000 1.094 224 A HN 0.891 nan 8.150 nan 0.000 0.492 225 Y N -1.765 118.404 120.300 -0.218 0.000 2.638 225 Y HA 0.754 5.002 4.550 -0.504 0.000 0.335 225 Y C -0.410 175.414 175.900 -0.126 0.000 1.155 225 Y CA -0.911 57.151 58.100 -0.063 0.000 1.046 225 Y CB 0.904 39.284 38.460 -0.132 0.000 1.303 225 Y HN 0.932 nan 8.280 nan 0.000 0.460 226 A N 2.143 125.070 122.820 0.180 0.000 2.337 226 A HA 0.671 4.689 4.320 -0.503 0.000 0.331 226 A C -1.293 176.176 177.584 -0.191 0.000 1.137 226 A CA -0.881 51.081 52.037 -0.125 0.000 0.807 226 A CB 1.806 20.744 19.000 -0.104 0.000 1.250 226 A HN 0.823 nan 8.150 nan 0.000 0.468 227 Q N 1.124 120.719 119.800 -0.341 0.000 2.331 227 Q HA 0.618 4.657 4.340 -0.503 0.000 0.267 227 Q C -2.027 173.685 176.000 -0.479 0.000 1.006 227 Q CA -0.376 55.336 55.803 -0.153 0.000 0.818 227 Q CB 1.008 29.878 28.738 0.220 0.000 1.276 227 Q HN 0.592 nan 8.270 nan 0.000 0.450 228 F N 2.399 122.416 119.950 0.111 0.000 2.469 228 F HA 0.402 4.628 4.527 -0.501 0.000 0.332 228 F C 0.380 176.298 175.800 0.198 0.000 1.103 228 F CA -0.940 57.095 58.000 0.059 0.000 0.979 228 F CB 1.399 40.336 39.000 -0.106 0.000 1.137 228 F HN 0.440 nan 8.300 nan 0.000 0.463 229 N N 2.023 120.905 118.700 0.304 0.000 2.518 229 N HA 0.211 4.649 4.740 -0.503 0.000 0.254 229 N C -0.873 174.787 175.510 0.249 0.000 0.979 229 N CA -0.324 52.875 53.050 0.249 0.000 0.930 229 N CB 1.007 39.589 38.487 0.159 0.000 1.152 229 N HN 0.569 nan 8.380 nan 0.000 0.505 230 D N 1.350 121.921 120.400 0.285 0.000 2.388 230 D HA 0.120 4.458 4.640 -0.503 0.000 0.221 230 D C 1.176 177.577 176.300 0.169 0.000 1.133 230 D CA 0.159 54.305 54.000 0.244 0.000 0.831 230 D CB 0.558 41.559 40.800 0.335 0.000 0.962 230 D HN 0.471 nan 8.370 nan 0.000 0.502 231 T N 0.297 114.933 114.554 0.136 0.000 2.653 231 T HA -0.213 3.835 4.350 -0.503 0.000 0.268 231 T C 1.430 176.176 174.700 0.078 0.000 1.035 231 T CA 1.279 63.434 62.100 0.092 0.000 1.154 231 T CB -0.070 68.842 68.868 0.073 0.000 0.862 231 T HN 0.330 nan 8.240 nan 0.000 0.441 232 E N 0.375 120.623 120.200 0.079 0.000 2.479 232 E HA 0.140 4.188 4.350 -0.503 0.000 0.193 232 E C -0.265 176.376 176.600 0.068 0.000 1.049 232 E CA -0.215 56.222 56.400 0.063 0.000 0.870 232 E CB 0.420 30.151 29.700 0.052 0.000 0.944 232 E HN 0.236 nan 8.360 nan 0.000 0.492 233 V N 3.424 123.391 119.914 0.088 0.000 2.488 233 V HA 0.114 3.932 4.120 -0.503 0.000 0.277 233 V C -2.030 174.112 176.094 0.079 0.000 1.046 233 V CA -1.621 60.734 62.300 0.091 0.000 0.986 233 V CB 0.599 32.492 31.823 0.116 0.000 0.989 233 V HN 0.010 nan 8.190 nan 0.000 0.475 234 P HA 0.212 nan 4.420 nan 0.000 0.269 234 P C -0.701 176.625 177.300 0.044 0.000 1.215 234 P CA -0.170 62.959 63.100 0.048 0.000 0.780 234 P CB 0.474 32.202 31.700 0.046 0.000 0.898 235 L N 2.399 123.626 121.223 0.007 0.000 2.295 235 L HA 0.422 4.460 4.340 -0.503 0.000 0.285 235 L C 0.376 177.188 176.870 -0.097 0.000 1.035 235 L CA -0.980 53.845 54.840 -0.025 0.000 0.806 235 L CB 0.976 43.015 42.059 -0.034 0.000 1.214 235 L HN 0.304 nan 8.230 nan 0.000 0.426 236 I N 2.776 123.238 120.570 -0.180 0.000 2.428 236 I HA 0.228 4.096 4.170 -0.503 0.000 0.289 236 I C -0.270 175.691 176.117 -0.260 0.000 1.019 236 I CA 0.256 61.348 61.300 -0.346 0.000 1.351 236 I CB 0.811 38.326 38.000 -0.808 0.000 1.412 236 I HN 0.567 nan 8.210 nan 0.000 0.513 237 E N 7.188 127.259 120.200 -0.215 0.000 2.248 237 E HA 0.505 4.553 4.350 -0.503 0.000 0.267 237 E C -1.801 174.736 176.600 -0.104 0.000 0.877 237 E CA -0.605 55.675 56.400 -0.199 0.000 0.759 237 E CB 2.152 31.761 29.700 -0.152 0.000 1.182 237 E HN 0.573 nan 8.360 nan 0.000 0.418 238 Y N -1.848 118.354 120.300 -0.164 0.000 2.609 238 Y HA 0.520 4.753 4.550 -0.528 0.000 0.336 238 Y C -0.669 175.154 175.900 -0.129 0.000 1.129 238 Y CA -1.259 56.754 58.100 -0.144 0.000 1.040 238 Y CB 0.828 39.206 38.460 -0.135 0.000 1.310 238 Y HN 0.198 nan 8.280 nan 0.000 0.460 239 S N 2.090 117.777 115.700 -0.022 0.000 2.565 239 S HA 0.430 4.598 4.470 -0.503 0.000 0.276 239 S C -1.331 173.107 174.600 -0.270 0.000 1.326 239 S CA -0.291 57.749 58.200 -0.267 0.000 1.045 239 S CB 0.251 63.170 63.200 -0.468 0.000 0.918 239 S HN 0.537 nan 8.310 nan 0.000 0.505 240 F N 2.509 122.173 119.950 -0.476 0.000 2.507 240 F HA 0.432 4.663 4.527 -0.493 0.000 0.328 240 F C -0.276 175.263 175.800 -0.435 0.000 1.136 240 F CA -0.910 56.912 58.000 -0.296 0.000 0.930 240 F CB 0.790 39.736 39.000 -0.090 0.000 1.166 240 F HN 0.645 nan 8.300 nan 0.000 0.436 241 Y N 2.807 122.845 120.300 -0.437 0.000 2.365 241 Y HA 0.119 4.284 4.550 -0.641 0.000 0.293 241 Y C 1.729 177.538 175.900 -0.151 0.000 1.119 241 Y CA 1.170 59.130 58.100 -0.233 0.000 1.203 241 Y CB -0.544 37.775 38.460 -0.235 0.000 1.026 241 Y HN 0.744 nan 8.280 nan 0.000 0.549 242 S N -0.160 115.429 115.700 -0.185 0.000 3.569 242 S HA -0.316 3.852 4.470 -0.503 0.000 0.635 242 S C -0.202 174.440 174.600 0.071 0.000 2.396 242 S CA 0.152 58.409 58.200 0.094 0.000 2.612 242 S CB -1.428 61.925 63.200 0.255 0.000 0.331 242 S HN 0.603 nan 8.310 nan 0.000 1.764 243 D N 1.014 121.477 120.400 0.104 0.000 2.449 243 D HA 0.183 4.521 4.640 -0.503 0.000 0.236 243 D C 1.433 177.765 176.300 0.053 0.000 1.149 243 D CA 0.967 55.010 54.000 0.071 0.000 0.878 243 D CB 0.445 41.289 40.800 0.073 0.000 1.198 243 D HN 0.534 nan 8.370 nan 0.000 0.446 244 E N 1.197 121.417 120.200 0.033 0.000 2.233 244 E HA -0.269 3.779 4.350 -0.503 0.000 0.199 244 E C 1.437 178.050 176.600 0.022 0.000 1.004 244 E CA 1.350 57.761 56.400 0.019 0.000 0.819 244 E CB 0.020 29.724 29.700 0.007 0.000 0.738 244 E HN 0.564 nan 8.360 nan 0.000 0.478 245 S N 0.006 115.725 115.700 0.031 0.000 2.481 245 S HA -0.050 4.118 4.470 -0.503 0.000 0.231 245 S C 1.118 175.744 174.600 0.043 0.000 0.996 245 S CA -0.068 58.151 58.200 0.032 0.000 0.942 245 S CB -0.151 63.069 63.200 0.034 0.000 0.768 245 S HN 0.256 nan 8.310 nan 0.000 0.520 246 L N 2.462 123.719 121.223 0.057 0.000 2.456 246 L HA 0.137 4.176 4.340 -0.503 0.000 0.277 246 L C 1.610 178.521 176.870 0.067 0.000 1.124 246 L CA -0.017 54.869 54.840 0.077 0.000 0.880 246 L CB 0.822 42.938 42.059 0.095 0.000 1.192 246 L HN 0.421 nan 8.230 nan 0.000 0.463 247 Q N 3.981 123.829 119.800 0.080 0.000 2.119 247 Q HA -0.115 3.923 4.340 -0.503 0.000 0.201 247 Q C -0.634 175.319 176.000 -0.079 0.000 0.972 247 Q CA 1.419 57.227 55.803 0.009 0.000 0.847 247 Q CB 0.220 28.993 28.738 0.057 0.000 0.903 247 Q HN 0.590 nan 8.270 nan 0.000 0.433 248 Y N 0.190 120.501 120.300 0.018 0.000 2.364 248 Y HA 0.387 4.633 4.550 -0.507 0.000 0.340 248 Y C -2.055 173.849 175.900 0.007 0.000 0.975 248 Y CA -2.986 55.121 58.100 0.012 0.000 1.089 248 Y CB 1.360 39.819 38.460 -0.002 0.000 1.192 248 Y HN 0.107 nan 8.280 nan 0.000 0.454 249 P HA 0.107 nan 4.420 nan 0.000 0.269 249 P C -1.018 176.277 177.300 -0.009 0.000 1.215 249 P CA -0.566 62.533 63.100 -0.002 0.000 0.780 249 P CB 0.601 32.225 31.700 -0.128 0.000 0.898 250 K N -0.337 120.039 120.400 -0.040 0.000 2.139 250 K HA 0.645 4.663 4.320 -0.503 0.000 0.243 250 K C -0.776 175.765 176.600 -0.098 0.000 0.983 250 K CA -0.724 55.544 56.287 -0.032 0.000 0.890 250 K CB 0.648 33.154 32.500 0.011 0.000 1.090 250 K HN 0.163 nan 8.250 nan 0.000 0.445 251 T N 1.499 115.985 114.554 -0.114 0.000 2.772 251 T HA 0.245 4.293 4.350 -0.503 0.000 0.288 251 T C -0.443 174.121 174.700 -0.227 0.000 0.994 251 T CA -0.722 61.275 62.100 -0.173 0.000 0.951 251 T CB 1.138 69.923 68.868 -0.138 0.000 0.933 251 T HN 0.358 nan 8.240 nan 0.000 0.447 252 V N 5.130 124.806 119.914 -0.397 0.000 2.546 252 V HA 0.463 4.281 4.120 -0.503 0.000 0.284 252 V C 0.370 176.205 176.094 -0.431 0.000 1.050 252 V CA -0.477 61.546 62.300 -0.461 0.000 0.981 252 V CB 0.997 32.339 31.823 -0.802 0.000 0.990 252 V HN 0.720 nan 8.190 nan 0.000 0.474 253 R N 4.879 125.245 120.500 -0.224 0.000 2.532 253 R HA 0.731 4.769 4.340 -0.503 0.000 0.297 253 R C -1.406 174.864 176.300 -0.051 0.000 0.984 253 R CA -0.529 55.479 56.100 -0.153 0.000 0.884 253 R CB 2.072 32.315 30.300 -0.096 0.000 1.182 253 R HN 0.597 nan 8.270 nan 0.000 0.442 254 I N 3.207 123.741 120.570 -0.060 0.000 2.533 254 I HA 0.342 4.210 4.170 -0.503 0.000 0.290 254 I C -2.428 173.714 176.117 0.042 0.000 1.056 254 I CA -2.672 58.645 61.300 0.027 0.000 1.057 254 I CB 2.784 40.716 38.000 -0.112 0.000 1.240 254 I HN 0.240 nan 8.210 nan 0.000 0.423 255 P HA 0.072 nan 4.420 nan 0.000 0.269 255 P C -1.506 175.885 177.300 0.152 0.000 1.252 255 P CA 0.258 63.443 63.100 0.141 0.000 0.780 255 P CB -0.059 31.763 31.700 0.203 0.000 0.829 256 Y N 6.726 126.992 120.300 -0.058 0.000 2.322 256 Y HA 0.411 4.667 4.550 -0.489 0.000 0.324 256 Y C -2.689 173.181 175.900 -0.049 0.000 1.027 256 Y CA -2.836 55.193 58.100 -0.119 0.000 1.179 256 Y CB 1.911 40.187 38.460 -0.307 0.000 1.136 256 Y HN 0.287 nan 8.280 nan 0.000 0.449 257 P HA 0.264 nan 4.420 nan 0.000 0.292 257 P C -1.086 176.264 177.300 0.084 0.000 1.326 257 P CA -0.285 62.854 63.100 0.066 0.000 0.787 257 P CB 1.613 33.331 31.700 0.030 0.000 0.903 258 K N 1.944 122.471 120.400 0.212 0.000 2.098 258 K HA 0.536 4.554 4.320 -0.503 0.000 0.244 258 K C 0.496 177.197 176.600 0.168 0.000 1.014 258 K CA -0.797 55.637 56.287 0.245 0.000 0.917 258 K CB 0.602 33.265 32.500 0.272 0.000 1.072 258 K HN 0.448 nan 8.250 nan 0.000 0.477 259 A N 0.691 123.638 122.820 0.211 0.000 2.573 259 A HA 0.271 4.289 4.320 -0.503 0.000 0.250 259 A C 1.177 178.815 177.584 0.090 0.000 1.049 259 A CA 1.062 53.216 52.037 0.195 0.000 0.767 259 A CB -1.305 17.895 19.000 0.334 0.000 0.965 259 A HN 0.903 nan 8.150 nan 0.000 0.514 260 G N 0.937 109.780 108.800 0.071 0.000 2.179 260 G HA2 0.108 3.766 3.960 -0.503 0.000 0.260 260 G HA3 0.108 3.766 3.960 -0.503 0.000 0.260 260 G C 0.657 175.576 174.900 0.031 0.000 0.977 260 G CA 0.745 45.859 45.100 0.025 0.000 0.641 260 G HN 2.173 nan 8.290 nan 0.000 0.533 261 A N -0.274 122.579 122.820 0.054 0.000 2.259 261 A HA 0.716 4.734 4.320 -0.503 0.000 0.278 261 A C 0.493 178.106 177.584 0.048 0.000 1.107 261 A CA 0.416 52.485 52.037 0.053 0.000 0.828 261 A CB 0.350 19.395 19.000 0.075 0.000 1.111 261 A HN 0.595 nan 8.150 nan 0.000 0.498 262 E N 0.615 120.843 120.200 0.046 0.000 2.415 262 E HA 0.135 4.183 4.350 -0.503 0.000 0.263 262 E C -0.414 176.223 176.600 0.062 0.000 0.995 262 E CA 0.361 56.788 56.400 0.045 0.000 0.915 262 E CB 0.116 29.843 29.700 0.045 0.000 0.951 262 E HN 0.542 nan 8.360 nan 0.000 0.449 263 N N 3.949 122.687 118.700 0.062 0.000 2.477 263 N HA 0.456 4.894 4.740 -0.503 0.000 0.284 263 N C -2.489 173.096 175.510 0.125 0.000 1.182 263 N CA -1.736 51.373 53.050 0.098 0.000 0.949 263 N CB 0.832 39.382 38.487 0.104 0.000 1.204 263 N HN 0.352 nan 8.380 nan 0.000 0.526 264 P HA 0.125 nan 4.420 nan 0.000 0.274 264 P C -0.486 176.957 177.300 0.238 0.000 1.237 264 P CA -0.122 63.120 63.100 0.237 0.000 0.793 264 P CB 0.395 32.284 31.700 0.316 0.000 0.977 265 T N -1.877 112.792 114.554 0.192 0.000 2.952 265 T HA 0.607 4.655 4.350 -0.503 0.000 0.286 265 T C -0.303 174.489 174.700 0.153 0.000 1.024 265 T CA -0.862 61.309 62.100 0.118 0.000 1.029 265 T CB 1.525 70.427 68.868 0.056 0.000 1.094 265 T HN 0.338 nan 8.240 nan 0.000 0.515 266 V N 0.275 120.248 119.914 0.098 0.000 2.925 266 V HA 0.741 4.559 4.120 -0.503 0.000 0.311 266 V C -1.598 174.504 176.094 0.013 0.000 1.104 266 V CA -0.883 61.407 62.300 -0.017 0.000 0.954 266 V CB 2.110 33.962 31.823 0.049 0.000 1.022 266 V HN 1.024 nan 8.190 nan 0.000 0.427 267 K N 4.572 124.896 120.400 -0.126 0.000 2.426 267 K HA 0.551 4.570 4.320 -0.503 0.000 0.251 267 K C -1.885 174.491 176.600 -0.374 0.000 0.941 267 K CA -0.451 55.698 56.287 -0.230 0.000 0.808 267 K CB 2.798 35.129 32.500 -0.281 0.000 1.265 267 K HN 0.578 nan 8.250 nan 0.000 0.432 268 F N 2.901 122.482 119.950 -0.615 0.000 2.507 268 F HA 0.569 4.794 4.527 -0.504 0.000 0.325 268 F C -1.492 173.797 175.800 -0.852 0.000 1.116 268 F CA -0.642 57.025 58.000 -0.553 0.000 0.930 268 F CB 0.805 39.636 39.000 -0.283 0.000 1.146 268 F HN 0.382 nan 8.300 nan 0.000 0.447 269 F N 4.275 123.550 119.950 -1.125 0.000 2.588 269 F HA 0.699 4.924 4.527 -0.504 0.000 0.314 269 F C -0.961 174.399 175.800 -0.734 0.000 1.069 269 F CA -1.282 56.255 58.000 -0.772 0.000 0.931 269 F CB 1.996 40.505 39.000 -0.817 0.000 1.260 269 F HN 0.092 nan 8.300 nan 0.000 0.465 270 V N 3.014 122.874 119.914 -0.090 0.000 2.444 270 V HA 0.485 4.303 4.120 -0.503 0.000 0.294 270 V C -0.654 175.594 176.094 0.256 0.000 1.022 270 V CA -0.815 61.465 62.300 -0.033 0.000 0.850 270 V CB 1.655 33.243 31.823 -0.392 0.000 0.992 270 V HN 0.541 nan 8.190 nan 0.000 0.426 271 V N 3.478 123.580 119.914 0.314 0.000 2.439 271 V HA 0.340 4.158 4.120 -0.503 0.000 0.282 271 V C 0.006 176.392 176.094 0.486 0.000 1.039 271 V CA -0.483 62.024 62.300 0.346 0.000 0.913 271 V CB 1.837 33.787 31.823 0.213 0.000 0.983 271 V HN 0.880 nan 8.190 nan 0.000 0.460 272 D N 3.499 124.194 120.400 0.492 0.000 2.393 272 D HA 0.083 4.421 4.640 -0.503 0.000 0.232 272 D C 1.357 177.755 176.300 0.163 0.000 1.192 272 D CA 0.042 54.284 54.000 0.403 0.000 0.882 272 D CB 1.609 42.670 40.800 0.435 0.000 1.038 272 D HN 0.744 nan 8.370 nan 0.000 0.499 273 T N 1.347 115.951 114.554 0.082 0.000 3.118 273 T HA -0.025 4.023 4.350 -0.503 0.000 0.260 273 T C 1.637 176.368 174.700 0.051 0.000 1.139 273 T CA 0.392 62.545 62.100 0.090 0.000 1.085 273 T CB -0.005 68.970 68.868 0.179 0.000 0.934 273 T HN 0.304 nan 8.240 nan 0.000 0.518 274 R N 1.295 121.789 120.500 -0.010 0.000 2.152 274 R HA -0.033 4.005 4.340 -0.503 0.000 0.232 274 R C 2.481 178.799 176.300 0.030 0.000 1.117 274 R CA 1.755 57.849 56.100 -0.010 0.000 0.981 274 R CB -0.492 29.777 30.300 -0.052 0.000 0.870 274 R HN 0.683 nan 8.270 nan 0.000 0.451 275 T N -1.905 112.682 114.554 0.055 0.000 3.086 275 T HA 0.225 4.273 4.350 -0.503 0.000 0.250 275 T C 0.701 175.440 174.700 0.065 0.000 1.074 275 T CA -0.236 61.903 62.100 0.065 0.000 0.988 275 T CB 0.022 68.942 68.868 0.086 0.000 0.988 275 T HN -0.031 nan 8.240 nan 0.000 0.530 276 L N 2.370 123.632 121.223 0.066 0.000 2.513 276 L HA 0.413 4.451 4.340 -0.503 0.000 0.272 276 L C 0.430 177.335 176.870 0.058 0.000 1.187 276 L CA 0.061 54.939 54.840 0.063 0.000 0.895 276 L CB 0.524 42.620 42.059 0.062 0.000 1.147 276 L HN 0.271 nan 8.230 nan 0.000 0.483 277 S N 3.548 119.283 115.700 0.059 0.000 2.558 277 S HA 0.390 4.559 4.470 -0.503 0.000 0.277 277 S C -2.019 172.616 174.600 0.060 0.000 1.143 277 S CA -0.949 57.284 58.200 0.055 0.000 0.865 277 S CB 1.826 65.055 63.200 0.049 0.000 1.102 277 S HN 0.391 nan 8.310 nan 0.000 0.454 278 P HA -0.097 nan 4.420 nan 0.000 0.217 278 P C 0.292 177.629 177.300 0.061 0.000 1.151 278 P CA 1.395 64.536 63.100 0.067 0.000 0.849 278 P CB -0.072 31.664 31.700 0.060 0.000 0.787 279 N N -0.592 118.136 118.700 0.047 0.000 2.273 279 N HA 0.285 4.723 4.740 -0.503 0.000 0.231 279 N C 0.196 175.725 175.510 0.032 0.000 1.134 279 N CA -0.033 53.038 53.050 0.035 0.000 0.856 279 N CB 0.666 39.170 38.487 0.027 0.000 1.068 279 N HN 0.149 nan 8.380 nan 0.000 0.510 280 A N 0.328 123.174 122.820 0.042 0.000 2.337 280 A HA 0.655 4.674 4.320 -0.503 0.000 0.331 280 A C 0.606 178.217 177.584 0.045 0.000 1.137 280 A CA -0.525 51.538 52.037 0.043 0.000 0.807 280 A CB 0.934 19.964 19.000 0.051 0.000 1.250 280 A HN 0.185 nan 8.150 nan 0.000 0.468 281 S N 0.117 115.841 115.700 0.040 0.000 2.634 281 S HA 0.519 4.687 4.470 -0.503 0.000 0.261 281 S C -0.004 174.635 174.600 0.065 0.000 1.271 281 S CA -0.539 57.684 58.200 0.039 0.000 0.985 281 S CB 0.723 63.940 63.200 0.028 0.000 0.968 281 S HN 0.793 nan 8.310 nan 0.000 0.568 282 V N 1.672 121.629 119.914 0.072 0.000 2.461 282 V HA 0.291 4.109 4.120 -0.503 0.000 0.275 282 V C 0.340 176.498 176.094 0.107 0.000 1.047 282 V CA -0.435 61.916 62.300 0.085 0.000 0.955 282 V CB 0.940 32.807 31.823 0.073 0.000 0.988 282 V HN 0.998 nan 8.190 nan 0.000 0.471 283 T N 4.957 119.596 114.554 0.142 0.000 2.729 283 T HA 0.496 4.544 4.350 -0.503 0.000 0.296 283 T C 0.099 174.951 174.700 0.253 0.000 0.928 283 T CA -0.181 62.036 62.100 0.194 0.000 1.045 283 T CB 0.557 69.555 68.868 0.217 0.000 0.902 283 T HN 0.939 nan 8.240 nan 0.000 0.500 284 S N 3.130 118.988 115.700 0.265 0.000 2.579 284 S HA 0.700 4.869 4.470 -0.503 0.000 0.272 284 S C -1.750 173.085 174.600 0.391 0.000 1.141 284 S CA -0.999 57.392 58.200 0.319 0.000 0.843 284 S CB 1.640 64.964 63.200 0.207 0.000 1.122 284 S HN 0.596 nan 8.310 nan 0.000 0.468 285 Y N 1.131 121.620 120.300 0.316 0.000 2.406 285 Y HA 0.512 4.761 4.550 -0.503 0.000 0.340 285 Y C -0.529 175.517 175.900 0.242 0.000 0.975 285 Y CA -0.442 57.842 58.100 0.305 0.000 1.056 285 Y CB 1.948 40.663 38.460 0.426 0.000 1.210 285 Y HN 0.948 nan 8.280 nan 0.000 0.448 286 Q N 6.419 125.964 119.800 -0.424 0.000 2.274 286 Q HA 0.502 4.540 4.340 -0.503 0.000 0.256 286 Q C -1.342 174.415 176.000 -0.405 0.000 0.927 286 Q CA -0.441 55.106 55.803 -0.427 0.000 0.939 286 Q CB 0.713 29.194 28.738 -0.429 0.000 1.201 286 Q HN 0.764 nan 8.270 nan 0.000 0.426 287 I N 5.442 125.958 120.570 -0.091 0.000 2.312 287 I HA 0.235 4.103 4.170 -0.503 0.000 0.290 287 I C 0.104 176.230 176.117 0.015 0.000 1.008 287 I CA -0.935 60.416 61.300 0.084 0.000 1.226 287 I CB 1.245 39.355 38.000 0.184 0.000 1.371 287 I HN 0.446 nan 8.210 nan 0.000 0.468 288 V N 5.408 125.267 119.914 -0.091 0.000 2.837 288 V HA 0.643 4.461 4.120 -0.503 0.000 0.310 288 V C -2.319 173.495 176.094 -0.466 0.000 1.059 288 V CA -1.864 60.283 62.300 -0.255 0.000 1.004 288 V CB 0.909 32.584 31.823 -0.246 0.000 1.045 288 V HN 0.511 nan 8.190 nan 0.000 0.465 289 P HA 0.394 nan 4.420 nan 0.000 0.274 289 P C -2.805 174.079 177.300 -0.693 0.000 1.246 289 P CA -1.582 60.678 63.100 -1.400 0.000 0.795 289 P CB -0.277 30.110 31.700 -2.188 0.000 1.006 290 P HA 0.004 nan 4.420 nan 0.000 0.270 290 P C 0.856 177.989 177.300 -0.279 0.000 1.223 290 P CA 0.224 63.160 63.100 -0.274 0.000 0.785 290 P CB 0.083 31.688 31.700 -0.158 0.000 0.923 291 A N 2.134 124.838 122.820 -0.194 0.000 1.948 291 A HA -0.228 3.790 4.320 -0.503 0.000 0.220 291 A C 2.092 179.566 177.584 -0.184 0.000 1.177 291 A CA 2.489 54.418 52.037 -0.179 0.000 0.636 291 A CB -1.839 17.087 19.000 -0.124 0.000 0.815 291 A HN 0.629 nan 8.150 nan 0.000 0.449 292 S N -1.157 114.452 115.700 -0.151 0.000 2.469 292 S HA -0.026 4.143 4.470 -0.503 0.000 0.238 292 S C 1.408 175.847 174.600 -0.268 0.000 0.998 292 S CA 1.363 59.451 58.200 -0.187 0.000 0.957 292 S CB -0.224 62.923 63.200 -0.088 0.000 0.764 292 S HN 0.272 nan 8.310 nan 0.000 0.514 293 V N 0.479 120.249 119.914 -0.240 0.000 3.212 293 V HA 0.283 4.101 4.120 -0.503 0.000 0.244 293 V C 2.094 177.957 176.094 -0.384 0.000 1.151 293 V CA 0.233 62.373 62.300 -0.266 0.000 1.119 293 V CB -0.211 31.474 31.823 -0.231 0.000 0.838 293 V HN 0.413 nan 8.190 nan 0.000 0.470 294 L N 0.960 121.921 121.223 -0.437 0.000 2.191 294 L HA -0.136 3.902 4.340 -0.503 0.000 0.212 294 L C 2.334 179.084 176.870 -0.200 0.000 1.103 294 L CA 1.750 56.345 54.840 -0.407 0.000 0.769 294 L CB -0.205 41.647 42.059 -0.344 0.000 0.908 294 L HN 0.469 nan 8.230 nan 0.000 0.438 295 I N -2.974 117.493 120.570 -0.172 0.000 2.850 295 I HA 0.050 3.918 4.170 -0.503 0.000 0.266 295 I C 0.988 177.060 176.117 -0.075 0.000 1.257 295 I CA 0.729 61.959 61.300 -0.116 0.000 1.465 295 I CB -0.671 37.253 38.000 -0.127 0.000 1.091 295 I HN 0.140 nan 8.210 nan 0.000 0.467 296 G N 0.028 108.801 108.800 -0.046 0.000 2.682 296 G HA2 0.285 3.943 3.960 -0.503 0.000 0.303 296 G HA3 0.285 3.943 3.960 -0.503 0.000 0.303 296 G C -1.777 173.152 174.900 0.049 0.000 1.341 296 G CA -0.605 44.484 45.100 -0.019 0.000 0.784 296 G HN 0.017 nan 8.290 nan 0.000 0.497 297 D N 1.151 121.532 120.400 -0.031 0.000 2.443 297 D HA 0.406 4.744 4.640 -0.503 0.000 0.239 297 D C 0.421 176.641 176.300 -0.133 0.000 1.136 297 D CA 0.788 54.712 54.000 -0.128 0.000 0.879 297 D CB 0.396 41.088 40.800 -0.180 0.000 1.195 297 D HN 0.539 nan 8.370 nan 0.000 0.443 298 H N -0.881 118.038 119.070 -0.251 0.000 2.960 298 H HA 0.449 4.704 4.556 -0.502 0.000 0.323 298 H C -1.370 173.834 175.328 -0.207 0.000 1.326 298 H CA -0.825 55.084 56.048 -0.232 0.000 1.124 298 H CB 0.347 30.092 29.762 -0.027 0.000 1.853 298 H HN 0.293 nan 8.280 nan 0.000 0.536 299 Y N 0.135 120.686 120.300 0.418 0.000 2.512 299 Y HA 0.386 4.634 4.550 -0.503 0.000 0.348 299 Y C -0.316 175.949 175.900 0.608 0.000 0.990 299 Y CA -1.151 57.217 58.100 0.447 0.000 1.033 299 Y CB 1.984 40.537 38.460 0.156 0.000 1.259 299 Y HN 0.498 nan 8.280 nan 0.000 0.461 300 L N 3.299 124.989 121.223 0.777 0.000 2.290 300 L HA 0.436 4.474 4.340 -0.503 0.000 0.284 300 L C 0.367 177.465 176.870 0.380 0.000 1.078 300 L CA -0.262 54.680 54.840 0.170 0.000 0.815 300 L CB 0.449 42.461 42.059 -0.080 0.000 1.162 300 L HN 0.965 nan 8.230 nan 0.000 0.435 301 C N 1.788 121.140 119.300 0.086 0.000 3.491 301 C HA 0.864 5.023 4.460 -0.503 0.000 0.298 301 C C 0.598 175.529 174.990 -0.098 0.000 1.424 301 C CA -0.034 59.081 59.018 0.162 0.000 1.772 301 C CB -0.875 26.957 27.740 0.154 0.000 2.447 301 C HN 0.988 nan 8.230 nan 0.000 0.670 302 G N 0.141 108.731 108.800 -0.350 0.000 2.733 302 G HA2 0.558 4.216 3.960 -0.503 0.000 0.297 302 G HA3 0.558 4.216 3.960 -0.503 0.000 0.297 302 G C -1.860 172.614 174.900 -0.710 0.000 1.452 302 G CA -0.183 44.638 45.100 -0.465 0.000 0.940 302 G HN 0.340 nan 8.290 nan 0.000 0.547 303 V N 0.906 120.333 119.914 -0.812 0.000 2.577 303 V HA 0.799 4.617 4.120 -0.503 0.000 0.303 303 V C -0.386 175.289 176.094 -0.699 0.000 1.042 303 V CA -0.639 61.033 62.300 -1.046 0.000 0.872 303 V CB 2.187 32.891 31.823 -1.865 0.000 0.998 303 V HN 0.877 nan 8.190 nan 0.000 0.423 304 T N 3.417 117.623 114.554 -0.580 0.000 2.965 304 T HA 0.334 4.382 4.350 -0.503 0.000 0.306 304 T C -0.882 173.621 174.700 -0.328 0.000 0.991 304 T CA -0.382 61.534 62.100 -0.307 0.000 1.001 304 T CB 0.686 69.462 68.868 -0.154 0.000 0.984 304 T HN 0.547 nan 8.240 nan 0.000 0.446 305 W N 2.816 124.043 121.300 -0.121 0.000 2.253 305 W HA 0.332 4.690 4.660 -0.503 0.000 0.322 305 W C 1.094 177.536 176.519 -0.129 0.000 1.342 305 W CA -0.290 57.003 57.345 -0.086 0.000 1.218 305 W CB 0.692 30.185 29.460 0.055 0.000 1.205 305 W HN 0.459 nan 8.180 nan 0.000 0.551 306 V N 1.710 121.638 119.914 0.022 0.000 2.599 306 V HA 0.099 3.917 4.120 -0.503 0.000 0.237 306 V C 0.891 177.037 176.094 0.088 0.000 1.081 306 V CA 1.462 63.662 62.300 -0.166 0.000 1.107 306 V CB -0.156 31.299 31.823 -0.614 0.000 0.808 306 V HN 0.651 nan 8.190 nan 0.000 0.486 307 T N -4.136 110.533 114.554 0.191 0.000 2.696 307 T HA 0.362 4.410 4.350 -0.503 0.000 0.291 307 T C 0.467 175.371 174.700 0.339 0.000 1.095 307 T CA -0.449 61.782 62.100 0.218 0.000 1.026 307 T CB 1.933 70.901 68.868 0.166 0.000 1.390 307 T HN -0.068 nan 8.240 nan 0.000 0.513 308 E N 0.462 120.812 120.200 0.250 0.000 2.333 308 E HA -0.050 3.998 4.350 -0.503 0.000 0.198 308 E C 0.918 177.810 176.600 0.487 0.000 1.007 308 E CA 1.139 57.707 56.400 0.279 0.000 0.845 308 E CB 0.027 29.832 29.700 0.174 0.000 0.766 308 E HN 0.777 nan 8.360 nan 0.000 0.507 309 E N -0.308 120.131 120.200 0.398 0.000 2.693 309 E HA 0.169 4.217 4.350 -0.503 0.000 0.214 309 E C 0.129 176.946 176.600 0.361 0.000 0.990 309 E CA -0.178 56.412 56.400 0.316 0.000 1.047 309 E CB 1.017 30.826 29.700 0.182 0.000 1.039 309 E HN -0.127 nan 8.360 nan 0.000 0.475 310 R N 1.537 122.318 120.500 0.468 0.000 2.510 310 R HA 0.487 4.525 4.340 -0.503 0.000 0.287 310 R C -1.876 174.484 176.300 0.101 0.000 1.084 310 R CA -0.427 55.832 56.100 0.266 0.000 0.934 310 R CB 1.284 31.630 30.300 0.077 0.000 1.201 310 R HN 0.065 nan 8.270 nan 0.000 0.431 311 I N 2.392 122.885 120.570 -0.129 0.000 2.608 311 I HA 0.396 4.264 4.170 -0.503 0.000 0.295 311 I C -1.119 174.693 176.117 -0.508 0.000 1.049 311 I CA -0.482 60.465 61.300 -0.589 0.000 1.063 311 I CB 2.325 39.605 38.000 -1.199 0.000 1.248 311 I HN 0.656 nan 8.210 nan 0.000 0.424 312 S N 7.688 123.042 115.700 -0.576 0.000 2.456 312 S HA 0.628 4.796 4.470 -0.503 0.000 0.316 312 S C -0.976 173.297 174.600 -0.546 0.000 1.089 312 S CA -0.682 57.256 58.200 -0.437 0.000 1.101 312 S CB 0.575 63.605 63.200 -0.284 0.000 0.995 312 S HN 0.508 nan 8.310 nan 0.000 0.468 313 L N 4.419 125.336 121.223 -0.511 0.000 2.322 313 L HA 0.563 4.601 4.340 -0.503 0.000 0.281 313 L C -0.009 176.548 176.870 -0.522 0.000 1.014 313 L CA -0.651 53.763 54.840 -0.710 0.000 0.815 313 L CB 1.818 43.417 42.059 -0.765 0.000 1.247 313 L HN 0.649 nan 8.230 nan 0.000 0.421 314 Q N 2.236 121.664 119.800 -0.620 0.000 2.322 314 Q HA 0.426 4.464 4.340 -0.503 0.000 0.265 314 Q C -1.878 173.888 176.000 -0.391 0.000 0.985 314 Q CA -0.537 55.055 55.803 -0.352 0.000 0.849 314 Q CB 1.609 30.187 28.738 -0.266 0.000 1.274 314 Q HN 0.473 nan 8.270 nan 0.000 0.449 315 W N 3.727 124.999 121.300 -0.048 0.000 2.799 315 W HA 0.698 5.056 4.660 -0.504 0.000 0.349 315 W C -0.721 175.859 176.519 0.101 0.000 1.100 315 W CA -0.667 56.705 57.345 0.046 0.000 1.174 315 W CB 1.383 30.841 29.460 -0.004 0.000 1.427 315 W HN 0.523 nan 8.180 nan 0.000 0.547 316 I N 1.298 122.138 120.570 0.450 0.000 2.802 316 I HA 0.469 4.337 4.170 -0.503 0.000 0.298 316 I C -0.245 176.068 176.117 0.327 0.000 1.176 316 I CA -1.125 60.386 61.300 0.351 0.000 1.025 316 I CB 1.478 39.657 38.000 0.298 0.000 1.243 316 I HN 0.415 nan 8.210 nan 0.000 0.424 317 R N 4.276 124.929 120.500 0.255 0.000 2.679 317 R HA 0.248 4.286 4.340 -0.503 0.000 0.269 317 R C 1.065 177.400 176.300 0.058 0.000 1.076 317 R CA -0.297 55.877 56.100 0.124 0.000 1.160 317 R CB 0.505 30.845 30.300 0.066 0.000 1.054 317 R HN 0.602 nan 8.270 nan 0.000 0.507 318 R N 1.530 121.966 120.500 -0.107 0.000 2.127 318 R HA -0.195 3.843 4.340 -0.503 0.000 0.238 318 R C 1.692 178.016 176.300 0.041 0.000 1.134 318 R CA 1.899 57.888 56.100 -0.184 0.000 0.975 318 R CB -0.238 29.919 30.300 -0.238 0.000 0.865 318 R HN 0.757 nan 8.270 nan 0.000 0.447 319 A N 0.298 123.138 122.820 0.034 0.000 2.067 319 A HA -0.150 3.869 4.320 -0.503 0.000 0.219 319 A C 0.829 178.454 177.584 0.069 0.000 1.158 319 A CA 1.363 53.427 52.037 0.045 0.000 0.661 319 A CB -0.098 18.922 19.000 0.033 0.000 0.801 319 A HN 0.623 nan 8.150 nan 0.000 0.452 320 Q N -2.057 117.815 119.800 0.119 0.000 2.489 320 Q HA -0.220 3.818 4.340 -0.503 0.000 0.259 320 Q C -0.035 176.045 176.000 0.133 0.000 0.934 320 Q CA 0.752 56.636 55.803 0.134 0.000 1.131 320 Q CB -1.860 26.919 28.738 0.070 0.000 1.472 320 Q HN 0.978 nan 8.270 nan 0.000 0.560 321 N N -0.622 118.159 118.700 0.134 0.000 2.197 321 N HA 0.104 4.543 4.740 -0.503 0.000 0.228 321 N C -0.901 174.700 175.510 0.152 0.000 1.212 321 N CA -0.043 53.073 53.050 0.110 0.000 0.883 321 N CB 0.437 38.966 38.487 0.070 0.000 1.107 321 N HN 0.326 nan 8.380 nan 0.000 0.519 322 Y N 1.396 121.724 120.300 0.045 0.000 2.307 322 Y HA 0.535 4.783 4.550 -0.503 0.000 0.323 322 Y C -1.141 174.797 175.900 0.063 0.000 1.100 322 Y CA -1.039 57.086 58.100 0.042 0.000 1.140 322 Y CB 1.185 39.659 38.460 0.024 0.000 1.159 322 Y HN 0.164 nan 8.280 nan 0.000 0.436 323 S N 6.269 121.901 115.700 -0.115 0.000 2.634 323 S HA 0.843 5.012 4.470 -0.503 0.000 0.296 323 S C -1.446 173.085 174.600 -0.115 0.000 1.104 323 S CA -0.813 57.398 58.200 0.020 0.000 0.920 323 S CB 2.349 65.576 63.200 0.046 0.000 1.111 323 S HN 0.775 nan 8.310 nan 0.000 0.493 324 I N 1.084 121.680 120.570 0.045 0.000 2.656 324 I HA 0.527 4.395 4.170 -0.503 0.000 0.292 324 I C -1.761 174.394 176.117 0.063 0.000 1.144 324 I CA -1.262 60.053 61.300 0.025 0.000 1.038 324 I CB 1.589 39.639 38.000 0.084 0.000 1.244 324 I HN 0.785 nan 8.210 nan 0.000 0.420 325 I N 5.886 126.460 120.570 0.007 0.000 2.331 325 I HA 0.279 4.147 4.170 -0.503 0.000 0.292 325 I C -0.995 175.141 176.117 0.031 0.000 0.998 325 I CA -0.162 61.117 61.300 -0.035 0.000 1.267 325 I CB 1.363 39.268 38.000 -0.158 0.000 1.386 325 I HN 0.484 nan 8.210 nan 0.000 0.476 326 D N 7.545 127.956 120.400 0.019 0.000 2.471 326 D HA 0.431 4.770 4.640 -0.503 0.000 0.245 326 D C -0.758 175.521 176.300 -0.035 0.000 1.116 326 D CA -0.291 53.724 54.000 0.025 0.000 0.853 326 D CB 1.062 41.910 40.800 0.079 0.000 1.123 326 D HN 0.257 nan 8.370 nan 0.000 0.540 327 I N 4.267 124.840 120.570 0.004 0.000 2.306 327 I HA 0.281 4.150 4.170 -0.503 0.000 0.288 327 I C -0.332 175.786 176.117 0.002 0.000 1.036 327 I CA -0.657 60.630 61.300 -0.021 0.000 1.221 327 I CB 0.770 38.815 38.000 0.076 0.000 1.385 327 I HN 0.312 nan 8.210 nan 0.000 0.472 328 C N 4.388 123.683 119.300 -0.009 0.000 2.319 328 C HA 0.446 4.604 4.460 -0.503 0.000 0.335 328 C C -0.068 175.044 174.990 0.203 0.000 1.274 328 C CA -0.797 58.279 59.018 0.097 0.000 1.806 328 C CB 0.537 28.360 27.740 0.139 0.000 2.329 328 C HN 0.576 nan 8.230 nan 0.000 0.524 329 D N 0.776 121.250 120.400 0.122 0.000 2.192 329 D HA 0.224 4.562 4.640 -0.503 0.000 0.246 329 D C -0.528 175.663 176.300 -0.181 0.000 1.042 329 D CA -0.219 53.807 54.000 0.043 0.000 0.847 329 D CB 1.014 41.812 40.800 -0.005 0.000 1.186 329 D HN 0.598 nan 8.370 nan 0.000 0.461 330 Y N 1.568 121.483 120.300 -0.643 0.000 2.465 330 Y HA 0.120 4.368 4.550 -0.503 0.000 0.331 330 Y C 0.019 175.581 175.900 -0.563 0.000 1.102 330 Y CA -0.161 57.242 58.100 -1.161 0.000 1.358 330 Y CB 0.614 38.258 38.460 -1.359 0.000 1.213 330 Y HN 0.160 nan 8.280 nan 0.000 0.525 331 D N 5.356 125.138 120.400 -1.030 0.000 2.428 331 D HA 0.114 4.452 4.640 -0.503 0.000 0.221 331 D C 0.472 176.232 176.300 -0.900 0.000 1.123 331 D CA -0.106 53.480 54.000 -0.691 0.000 0.869 331 D CB 0.668 41.178 40.800 -0.484 0.000 1.032 331 D HN 0.774 nan 8.370 nan 0.000 0.506 332 E N 1.325 121.191 120.200 -0.558 0.000 2.209 332 E HA -0.191 3.857 4.350 -0.503 0.000 0.196 332 E C 1.558 178.034 176.600 -0.207 0.000 0.993 332 E CA 1.211 57.432 56.400 -0.298 0.000 0.819 332 E CB 0.089 29.790 29.700 0.001 0.000 0.745 332 E HN 0.560 nan 8.360 nan 0.000 0.477 333 S N -0.148 115.430 115.700 -0.203 0.000 2.496 333 S HA -0.052 4.116 4.470 -0.503 0.000 0.224 333 S C 1.880 176.404 174.600 -0.128 0.000 0.996 333 S CA 1.139 59.266 58.200 -0.122 0.000 0.927 333 S CB 0.064 63.208 63.200 -0.094 0.000 0.774 333 S HN 0.315 nan 8.310 nan 0.000 0.524 334 T N -4.635 109.790 114.554 -0.216 0.000 3.041 334 T HA 0.539 4.587 4.350 -0.503 0.000 0.276 334 T C 1.514 176.105 174.700 -0.182 0.000 0.948 334 T CA 0.637 62.641 62.100 -0.160 0.000 0.885 334 T CB 0.100 68.877 68.868 -0.151 0.000 1.175 334 T HN 1.119 nan 8.240 nan 0.000 0.529 335 G N 3.017 111.589 108.800 -0.380 0.000 2.184 335 G HA2 -0.300 3.358 3.960 -0.503 0.000 0.264 335 G HA3 -0.300 3.358 3.960 -0.503 0.000 0.264 335 G C 0.234 174.901 174.900 -0.389 0.000 0.975 335 G CA 0.308 45.239 45.100 -0.282 0.000 0.642 335 G HN 0.983 nan 8.290 nan 0.000 0.536 336 R N -0.984 119.153 120.500 -0.605 0.000 2.543 336 R HA 0.574 4.612 4.340 -0.503 0.000 0.268 336 R C -0.800 174.921 176.300 -0.964 0.000 1.067 336 R CA -0.783 54.728 56.100 -0.982 0.000 1.142 336 R CB 0.769 30.530 30.300 -0.899 0.000 1.110 336 R HN 0.156 nan 8.270 nan 0.000 0.549 337 W N 1.417 122.165 121.300 -0.921 0.000 2.318 337 W HA 0.451 4.810 4.660 -0.502 0.000 0.315 337 W C -0.390 176.003 176.519 -0.209 0.000 1.033 337 W CA -0.518 56.633 57.345 -0.323 0.000 1.275 337 W CB 0.891 30.294 29.460 -0.094 0.000 1.250 337 W HN 0.349 nan 8.180 nan 0.000 0.421 338 I N 3.126 123.672 120.570 -0.040 0.000 2.353 338 I HA 0.258 4.126 4.170 -0.503 0.000 0.293 338 I C 0.661 176.796 176.117 0.030 0.000 0.992 338 I CA -0.475 60.814 61.300 -0.018 0.000 1.268 338 I CB 1.395 39.343 38.000 -0.087 0.000 1.387 338 I HN 0.248 nan 8.210 nan 0.000 0.478 339 S N 4.330 120.049 115.700 0.033 0.000 2.617 339 S HA 0.680 4.848 4.470 -0.503 0.000 0.283 339 S C -0.469 174.130 174.600 -0.002 0.000 1.189 339 S CA -0.403 57.809 58.200 0.020 0.000 1.036 339 S CB 1.303 64.512 63.200 0.016 0.000 1.014 339 S HN 0.708 nan 8.310 nan 0.000 0.522 340 S N 2.728 118.423 115.700 -0.008 0.000 2.546 340 S HA 0.365 4.533 4.470 -0.503 0.000 0.272 340 S C 0.577 175.158 174.600 -0.033 0.000 1.140 340 S CA -0.676 57.513 58.200 -0.018 0.000 0.920 340 S CB 1.043 64.237 63.200 -0.011 0.000 1.083 340 S HN 0.548 nan 8.310 nan 0.000 0.476 341 V N 3.562 123.452 119.914 -0.040 0.000 2.453 341 V HA -0.157 3.661 4.120 -0.503 0.000 0.252 341 V C 2.936 178.982 176.094 -0.080 0.000 1.068 341 V CA 2.590 64.856 62.300 -0.056 0.000 1.070 341 V CB -1.417 30.378 31.823 -0.046 0.000 0.664 341 V HN 0.992 nan 8.190 nan 0.000 0.461 342 A N -0.256 122.529 122.820 -0.059 0.000 2.019 342 A HA -0.153 3.865 4.320 -0.503 0.000 0.219 342 A C 2.192 179.723 177.584 -0.088 0.000 1.164 342 A CA 1.257 53.257 52.037 -0.061 0.000 0.644 342 A CB -0.356 18.631 19.000 -0.021 0.000 0.805 342 A HN 0.540 nan 8.150 nan 0.000 0.449 343 R N -0.349 120.116 120.500 -0.058 0.000 2.426 343 R HA 0.163 4.201 4.340 -0.503 0.000 0.263 343 R C -0.422 175.825 176.300 -0.087 0.000 0.961 343 R CA -0.026 56.077 56.100 0.004 0.000 1.086 343 R CB 0.200 30.548 30.300 0.080 0.000 1.186 343 R HN 0.608 nan 8.270 nan 0.000 0.537 344 Q N 0.072 119.708 119.800 -0.274 0.000 2.282 344 Q HA 0.287 4.325 4.340 -0.503 0.000 0.260 344 Q C -1.118 174.572 176.000 -0.516 0.000 0.964 344 Q CA -0.489 55.176 55.803 -0.231 0.000 0.880 344 Q CB 1.896 30.566 28.738 -0.114 0.000 1.286 344 Q HN 0.215 nan 8.270 nan 0.000 0.445 345 H N 1.084 120.144 119.070 -0.016 0.000 2.823 345 H HA 0.409 4.664 4.556 -0.503 0.000 0.332 345 H C -0.860 174.418 175.328 -0.084 0.000 0.980 345 H CA -0.376 55.653 56.048 -0.032 0.000 1.286 345 H CB 1.009 30.735 29.762 -0.060 0.000 1.541 345 H HN 0.430 nan 8.280 nan 0.000 0.521 346 I N 2.112 122.674 120.570 -0.013 0.000 2.440 346 I HA 0.249 4.117 4.170 -0.503 0.000 0.294 346 I C 0.124 176.164 176.117 -0.129 0.000 0.995 346 I CA -0.250 60.956 61.300 -0.156 0.000 1.306 346 I CB 1.409 39.273 38.000 -0.227 0.000 1.407 346 I HN 0.593 nan 8.210 nan 0.000 0.501 347 E N 7.289 127.362 120.200 -0.212 0.000 2.246 347 E HA 0.621 4.669 4.350 -0.503 0.000 0.266 347 E C -1.417 175.077 176.600 -0.176 0.000 0.880 347 E CA -0.607 55.724 56.400 -0.115 0.000 0.762 347 E CB 2.028 31.700 29.700 -0.046 0.000 1.180 347 E HN 0.620 nan 8.360 nan 0.000 0.416 348 I N -0.102 120.404 120.570 -0.106 0.000 3.239 348 I HA 0.733 4.601 4.170 -0.503 0.000 0.314 348 I C -0.928 175.175 176.117 -0.023 0.000 1.126 348 I CA -0.916 60.341 61.300 -0.071 0.000 0.973 348 I CB 2.339 40.313 38.000 -0.043 0.000 1.252 348 I HN 0.352 nan 8.210 nan 0.000 0.463 349 S N 0.006 115.699 115.700 -0.010 0.000 2.571 349 S HA 0.488 4.656 4.470 -0.503 0.000 0.284 349 S C 0.224 174.809 174.600 -0.026 0.000 1.128 349 S CA 0.097 58.279 58.200 -0.030 0.000 0.970 349 S CB 1.535 64.685 63.200 -0.084 0.000 1.039 349 S HN 0.920 nan 8.310 nan 0.000 0.485 350 T N -0.137 114.403 114.554 -0.022 0.000 3.014 350 T HA 0.064 4.112 4.350 -0.503 0.000 0.250 350 T C 1.444 176.125 174.700 -0.032 0.000 1.060 350 T CA 0.913 63.003 62.100 -0.017 0.000 1.040 350 T CB -0.362 68.502 68.868 -0.006 0.000 0.971 350 T HN 0.668 nan 8.240 nan 0.000 0.497 351 T N -2.092 112.439 114.554 -0.038 0.000 3.040 351 T HA 0.631 4.679 4.350 -0.503 0.000 0.250 351 T C 1.116 175.697 174.700 -0.198 0.000 1.058 351 T CA 0.334 62.416 62.100 -0.030 0.000 0.988 351 T CB 0.449 69.360 68.868 0.071 0.000 0.993 351 T HN 0.635 nan 8.240 nan 0.000 0.519 352 G N 0.637 109.179 108.800 -0.431 0.000 2.704 352 G HA2 0.451 4.109 3.960 -0.503 0.000 0.118 352 G HA3 0.451 4.109 3.960 -0.503 0.000 0.118 352 G C -1.730 172.936 174.900 -0.390 0.000 1.197 352 G CA -0.479 44.200 45.100 -0.701 0.000 1.152 352 G HN 0.516 nan 8.290 nan 0.000 0.571 353 W N 0.164 121.151 121.300 -0.522 0.000 2.485 353 W HA 0.795 5.155 4.660 -0.500 0.000 0.364 353 W C -0.415 176.038 176.519 -0.109 0.000 1.171 353 W CA -1.386 55.813 57.345 -0.244 0.000 1.304 353 W CB 1.084 30.394 29.460 -0.250 0.000 1.335 353 W HN 0.282 nan 8.180 nan 0.000 0.643 354 V N 3.518 123.499 119.914 0.110 0.000 2.498 354 V HA 0.619 4.437 4.120 -0.503 0.000 0.279 354 V C 0.930 177.101 176.094 0.128 0.000 1.048 354 V CA 0.769 63.102 62.300 0.054 0.000 0.967 354 V CB -0.015 31.847 31.823 0.064 0.000 0.988 354 V HN 1.287 nan 8.190 nan 0.000 0.473 355 G N 5.640 114.466 108.800 0.043 0.000 2.693 355 G HA2 -0.216 3.442 3.960 -0.503 0.000 0.226 355 G HA3 -0.216 3.442 3.960 -0.503 0.000 0.226 355 G C 0.417 175.383 174.900 0.111 0.000 1.354 355 G CA 0.413 45.560 45.100 0.078 0.000 0.873 355 G HN 0.626 nan 8.290 nan 0.000 0.562 356 R N -1.465 119.094 120.500 0.098 0.000 2.048 356 R HA 0.296 4.334 4.340 -0.503 0.000 0.221 356 R C 2.029 178.235 176.300 -0.157 0.000 1.174 356 R CA 1.813 57.892 56.100 -0.035 0.000 0.971 356 R CB -0.061 30.193 30.300 -0.077 0.000 0.863 356 R HN 0.413 nan 8.270 nan 0.000 0.439 357 F N -0.161 119.940 119.950 0.251 0.000 2.767 357 F HA 0.302 4.527 4.527 -0.503 0.000 0.323 357 F C 0.201 176.068 175.800 0.112 0.000 1.091 357 F CA -0.394 57.711 58.000 0.174 0.000 1.192 357 F CB 0.761 39.872 39.000 0.185 0.000 1.056 357 F HN -0.075 nan 8.300 nan 0.000 0.571 358 R N -0.873 119.787 120.500 0.267 0.000 2.753 358 R HA 0.344 4.382 4.340 -0.503 0.000 0.272 358 R C -3.411 172.985 176.300 0.160 0.000 1.034 358 R CA -1.697 54.513 56.100 0.183 0.000 0.869 358 R CB 0.419 30.821 30.300 0.170 0.000 1.264 358 R HN -0.352 nan 8.270 nan 0.000 0.481 359 P HA 0.081 nan 4.420 nan 0.000 0.269 359 P C -0.322 177.027 177.300 0.080 0.000 1.209 359 P CA -0.052 63.099 63.100 0.085 0.000 0.776 359 P CB 0.685 32.414 31.700 0.050 0.000 0.876 360 A N 2.874 125.745 122.820 0.084 0.000 2.425 360 A HA 0.156 4.174 4.320 -0.503 0.000 0.242 360 A C 0.571 178.193 177.584 0.063 0.000 1.077 360 A CA -0.246 51.855 52.037 0.106 0.000 0.781 360 A CB -0.152 18.926 19.000 0.130 0.000 1.020 360 A HN 0.492 nan 8.150 nan 0.000 0.494 361 E N 1.815 122.062 120.200 0.079 0.000 2.343 361 E HA 0.321 4.369 4.350 -0.503 0.000 0.269 361 E C -2.356 174.233 176.600 -0.018 0.000 1.047 361 E CA -1.649 54.737 56.400 -0.022 0.000 0.874 361 E CB 0.563 30.229 29.700 -0.056 0.000 1.033 361 E HN 0.467 nan 8.360 nan 0.000 0.409 362 P HA 0.177 nan 4.420 nan 0.000 0.284 362 P C -0.658 176.500 177.300 -0.237 0.000 1.253 362 P CA -0.144 62.802 63.100 -0.258 0.000 0.800 362 P CB 0.892 32.072 31.700 -0.866 0.000 0.961 363 H N 2.604 121.681 119.070 0.011 0.000 2.718 363 H HA 0.284 4.538 4.556 -0.503 0.000 0.295 363 H C -0.201 175.247 175.328 0.199 0.000 1.051 363 H CA -0.333 55.810 56.048 0.159 0.000 1.260 363 H CB 0.267 30.149 29.762 0.199 0.000 1.403 363 H HN 0.311 nan 8.280 nan 0.000 0.488 364 F N 1.671 121.774 119.950 0.256 0.000 2.382 364 F HA 0.070 4.295 4.527 -0.503 0.000 0.331 364 F C 1.622 177.595 175.800 0.289 0.000 1.121 364 F CA -0.486 57.681 58.000 0.279 0.000 1.183 364 F CB 0.947 40.042 39.000 0.158 0.000 1.207 364 F HN 0.360 nan 8.300 nan 0.000 0.555 365 T N -1.895 112.955 114.554 0.492 0.000 2.813 365 T HA 0.061 4.109 4.350 -0.503 0.000 0.297 365 T C 1.349 176.236 174.700 0.313 0.000 1.036 365 T CA -0.184 62.137 62.100 0.369 0.000 1.044 365 T CB 1.173 70.236 68.868 0.325 0.000 0.993 365 T HN 0.644 nan 8.240 nan 0.000 0.535 366 S N 0.586 116.427 115.700 0.235 0.000 2.383 366 S HA -0.182 3.986 4.470 -0.503 0.000 0.229 366 S C 1.599 176.304 174.600 0.175 0.000 1.030 366 S CA 1.801 60.115 58.200 0.190 0.000 1.002 366 S CB -0.969 62.322 63.200 0.152 0.000 0.829 366 S HN 0.862 nan 8.310 nan 0.000 0.467 367 D N -0.632 119.874 120.400 0.177 0.000 2.317 367 D HA 0.100 4.438 4.640 -0.503 0.000 0.211 367 D C 1.566 177.969 176.300 0.171 0.000 0.966 367 D CA 0.890 54.983 54.000 0.154 0.000 0.876 367 D CB -0.741 40.142 40.800 0.139 0.000 0.927 367 D HN 0.634 nan 8.370 nan 0.000 0.519 368 G N 1.454 110.396 108.800 0.236 0.000 2.148 368 G HA2 -0.351 3.307 3.960 -0.503 0.000 0.254 368 G HA3 -0.351 3.307 3.960 -0.503 0.000 0.254 368 G C 0.666 175.762 174.900 0.327 0.000 0.981 368 G CA 0.444 45.709 45.100 0.274 0.000 0.670 368 G HN 0.451 nan 8.290 nan 0.000 0.528 369 N N -0.029 118.832 118.700 0.268 0.000 2.463 369 N HA 0.286 4.725 4.740 -0.503 0.000 0.181 369 N C 0.925 176.566 175.510 0.219 0.000 1.078 369 N CA 0.761 53.943 53.050 0.221 0.000 0.902 369 N CB 0.192 38.769 38.487 0.151 0.000 0.970 369 N HN 0.708 nan 8.380 nan 0.000 0.451 370 S N -0.405 115.452 115.700 0.262 0.000 2.625 370 S HA 0.685 4.853 4.470 -0.503 0.000 0.271 370 S C -1.225 173.455 174.600 0.133 0.000 1.161 370 S CA -1.108 57.148 58.200 0.092 0.000 0.820 370 S CB 1.390 64.597 63.200 0.012 0.000 1.137 370 S HN 0.164 nan 8.310 nan 0.000 0.470 371 F N -1.789 117.980 119.950 -0.302 0.000 2.686 371 F HA 0.856 5.081 4.527 -0.503 0.000 0.311 371 F C -2.205 173.370 175.800 -0.375 0.000 1.128 371 F CA -1.501 56.241 58.000 -0.429 0.000 0.946 371 F CB 0.681 38.978 39.000 -1.172 0.000 1.336 371 F HN 0.609 nan 8.300 nan 0.000 0.457 372 Y N 1.058 121.484 120.300 0.210 0.000 2.409 372 Y HA 0.691 4.939 4.550 -0.503 0.000 0.343 372 Y C -0.359 175.703 175.900 0.269 0.000 0.973 372 Y CA -0.938 57.268 58.100 0.175 0.000 1.064 372 Y CB 2.279 40.797 38.460 0.097 0.000 1.207 372 Y HN 0.767 nan 8.280 nan 0.000 0.452 373 K N 2.970 123.594 120.400 0.374 0.000 2.557 373 K HA 0.514 4.532 4.320 -0.503 0.000 0.261 373 K C -1.834 174.912 176.600 0.243 0.000 0.932 373 K CA -0.559 55.915 56.287 0.313 0.000 0.829 373 K CB 1.638 34.301 32.500 0.272 0.000 1.358 373 K HN 0.740 nan 8.250 nan 0.000 0.430 374 I N 6.089 126.770 120.570 0.185 0.000 2.471 374 I HA 0.262 4.130 4.170 -0.503 0.000 0.286 374 I C 0.210 176.419 176.117 0.153 0.000 1.079 374 I CA -0.269 61.117 61.300 0.143 0.000 1.398 374 I CB 0.332 38.392 38.000 0.099 0.000 1.403 374 I HN 0.490 nan 8.210 nan 0.000 0.530 375 I N 1.411 122.097 120.570 0.192 0.000 3.006 375 I HA 0.467 4.336 4.170 -0.503 0.000 0.306 375 I C -0.389 175.840 176.117 0.187 0.000 1.250 375 I CA -0.859 60.549 61.300 0.180 0.000 0.996 375 I CB 2.090 40.226 38.000 0.226 0.000 1.261 375 I HN 0.217 nan 8.210 nan 0.000 0.442 376 S N 3.103 118.853 115.700 0.083 0.000 2.533 376 S HA 0.160 4.329 4.470 -0.503 0.000 0.282 376 S C 0.012 174.649 174.600 0.061 0.000 1.304 376 S CA -0.432 57.764 58.200 -0.006 0.000 1.063 376 S CB -0.087 63.061 63.200 -0.086 0.000 0.881 376 S HN 0.790 nan 8.310 nan 0.000 0.493 377 N N 2.440 121.060 118.700 -0.134 0.000 2.431 377 N HA 0.191 4.629 4.740 -0.503 0.000 0.289 377 N C 0.415 175.818 175.510 -0.178 0.000 1.277 377 N CA -0.628 52.197 53.050 -0.376 0.000 0.972 377 N CB -0.019 37.831 38.487 -1.062 0.000 1.143 377 N HN 0.336 nan 8.380 nan 0.000 0.578 378 E N -0.712 119.382 120.200 -0.177 0.000 2.333 378 E HA -0.112 3.936 4.350 -0.503 0.000 0.198 378 E C 0.397 176.941 176.600 -0.093 0.000 1.007 378 E CA 1.166 57.509 56.400 -0.094 0.000 0.845 378 E CB -0.276 29.378 29.700 -0.076 0.000 0.766 378 E HN 0.727 nan 8.360 nan 0.000 0.507 379 E N -0.701 119.439 120.200 -0.101 0.000 2.474 379 E HA 0.219 4.267 4.350 -0.503 0.000 0.195 379 E C 0.687 177.261 176.600 -0.042 0.000 1.039 379 E CA 0.255 56.643 56.400 -0.019 0.000 0.881 379 E CB 0.565 30.292 29.700 0.044 0.000 0.970 379 E HN 0.285 nan 8.360 nan 0.000 0.486 380 G N 0.918 109.632 108.800 -0.144 0.000 2.132 380 G HA2 -0.287 3.371 3.960 -0.503 0.000 0.234 380 G HA3 -0.287 3.371 3.960 -0.503 0.000 0.234 380 G C -0.469 174.136 174.900 -0.492 0.000 0.989 380 G CA -0.158 44.753 45.100 -0.314 0.000 0.676 380 G HN 0.236 nan 8.290 nan 0.000 0.522 381 Y N 0.472 120.639 120.300 -0.223 0.000 2.352 381 Y HA 0.527 4.776 4.550 -0.503 0.000 0.339 381 Y C 0.885 176.604 175.900 -0.303 0.000 0.992 381 Y CA -0.905 57.045 58.100 -0.251 0.000 1.100 381 Y CB 1.307 39.643 38.460 -0.206 0.000 1.192 381 Y HN -0.032 nan 8.280 nan 0.000 0.458 382 K N 4.690 124.938 120.400 -0.253 0.000 2.363 382 K HA 0.176 4.194 4.320 -0.503 0.000 0.289 382 K C -0.693 175.595 176.600 -0.519 0.000 1.063 382 K CA 0.060 56.196 56.287 -0.251 0.000 0.967 382 K CB 0.115 32.521 32.500 -0.156 0.000 0.987 382 K HN 0.657 nan 8.250 nan 0.000 0.473 383 H N 1.415 120.440 119.070 -0.074 0.000 2.907 383 H HA 0.366 4.621 4.556 -0.503 0.000 0.361 383 H C -0.095 175.288 175.328 0.091 0.000 1.194 383 H CA -0.953 55.031 56.048 -0.107 0.000 1.152 383 H CB 1.414 30.990 29.762 -0.311 0.000 1.867 383 H HN 0.330 nan 8.280 nan 0.000 0.561 384 I N 1.249 121.895 120.570 0.127 0.000 2.416 384 I HA 0.050 3.918 4.170 -0.503 0.000 0.288 384 I C 0.321 176.472 176.117 0.056 0.000 1.051 384 I CA 0.086 61.429 61.300 0.072 0.000 1.375 384 I CB 0.396 38.352 38.000 -0.073 0.000 1.407 384 I HN 0.138 nan 8.210 nan 0.000 0.516 385 c N 6.704 125.251 118.600 -0.088 0.000 2.382 385 c HA 0.323 4.591 4.570 -0.503 0.000 0.327 385 c C 0.028 173.897 174.090 -0.367 0.000 1.250 385 c CA -0.417 55.590 56.329 -0.538 0.000 1.707 385 c CB 0.606 42.470 42.510 -1.078 0.000 2.272 385 c HN 0.748 nan 8.230 nan 0.000 0.506 386 H N 4.029 122.721 119.070 -0.630 0.000 2.552 386 H HA 0.484 4.738 4.556 -0.503 0.000 0.311 386 H C -1.337 173.481 175.328 -0.849 0.000 1.071 386 H CA -0.239 55.385 56.048 -0.707 0.000 1.307 386 H CB 0.513 29.977 29.762 -0.498 0.000 1.416 386 H HN 0.583 nan 8.280 nan 0.000 0.464 387 F N 2.614 121.834 119.950 -1.216 0.000 2.492 387 F HA 0.170 4.395 4.527 -0.503 0.000 0.327 387 F C 0.226 175.318 175.800 -1.180 0.000 1.079 387 F CA -0.863 56.356 58.000 -1.302 0.000 0.967 387 F CB 1.885 39.684 39.000 -2.002 0.000 1.169 387 F HN 0.524 nan 8.300 nan 0.000 0.472 388 Q N 0.645 120.124 119.800 -0.535 0.000 2.243 388 Q HA 0.291 4.329 4.340 -0.503 0.000 0.252 388 Q C 0.876 176.851 176.000 -0.041 0.000 0.909 388 Q CA 0.070 55.702 55.803 -0.284 0.000 0.922 388 Q CB 1.711 30.346 28.738 -0.173 0.000 1.215 388 Q HN 0.779 nan 8.270 nan 0.000 0.427 389 T N 1.715 116.341 114.554 0.120 0.000 2.737 389 T HA -0.166 3.882 4.350 -0.503 0.000 0.269 389 T C 0.336 175.271 174.700 0.393 0.000 1.040 389 T CA 1.817 64.135 62.100 0.362 0.000 1.142 389 T CB -0.122 68.980 68.868 0.389 0.000 0.861 389 T HN 0.778 nan 8.240 nan 0.000 0.456 390 D N 0.092 120.622 120.400 0.216 0.000 2.427 390 D HA 0.140 4.478 4.640 -0.503 0.000 0.224 390 D C 0.218 176.575 176.300 0.095 0.000 1.157 390 D CA -0.224 53.861 54.000 0.142 0.000 0.828 390 D CB 0.184 41.035 40.800 0.085 0.000 0.974 390 D HN 0.074 nan 8.370 nan 0.000 0.498 391 K N -0.414 120.073 120.400 0.145 0.000 2.435 391 K HA 0.323 4.342 4.320 -0.503 0.000 0.251 391 K C 0.636 177.321 176.600 0.141 0.000 0.954 391 K CA -0.529 55.802 56.287 0.072 0.000 0.820 391 K CB 1.944 34.446 32.500 0.004 0.000 1.292 391 K HN -0.016 nan 8.250 nan 0.000 0.436 392 S N -0.611 115.126 115.700 0.062 0.000 2.486 392 S HA -0.052 4.116 4.470 -0.503 0.000 0.220 392 S C 0.488 175.136 174.600 0.079 0.000 1.011 392 S CA -0.006 58.260 58.200 0.110 0.000 0.921 392 S CB -0.480 62.735 63.200 0.025 0.000 0.785 392 S HN 0.701 nan 8.310 nan 0.000 0.517 393 N N 1.070 119.745 118.700 -0.043 0.000 2.524 393 N HA 0.520 4.958 4.740 -0.503 0.000 0.283 393 N C -0.160 175.141 175.510 -0.348 0.000 1.142 393 N CA -0.559 52.398 53.050 -0.156 0.000 0.984 393 N CB 1.205 39.613 38.487 -0.130 0.000 1.155 393 N HN 0.479 nan 8.380 nan 0.000 0.467 394 c N -0.831 117.431 118.600 -0.563 0.000 2.913 394 c HA 0.786 5.054 4.570 -0.503 0.000 0.322 394 c C -0.463 173.232 174.090 -0.658 0.000 1.292 394 c CA -0.688 55.109 56.329 -0.886 0.000 1.649 394 c CB 1.115 42.528 42.510 -1.828 0.000 2.139 394 c HN 0.741 nan 8.230 nan 0.000 0.475 395 T N 1.743 115.934 114.554 -0.604 0.000 2.812 395 T HA 0.520 4.568 4.350 -0.503 0.000 0.282 395 T C -0.792 173.640 174.700 -0.446 0.000 0.990 395 T CA 0.112 61.992 62.100 -0.366 0.000 0.960 395 T CB 0.559 69.362 68.868 -0.108 0.000 0.948 395 T HN 0.488 nan 8.240 nan 0.000 0.438 396 F N 3.155 122.951 119.950 -0.256 0.000 2.495 396 F HA 0.277 4.502 4.527 -0.503 0.000 0.365 396 F C 1.622 177.208 175.800 -0.357 0.000 1.090 396 F CA -0.850 56.985 58.000 -0.276 0.000 1.235 396 F CB 0.504 39.360 39.000 -0.239 0.000 1.119 396 F HN 0.579 nan 8.300 nan 0.000 0.562 397 I N -0.666 119.759 120.570 -0.242 0.000 4.057 397 I HA 0.240 4.108 4.170 -0.503 0.000 0.334 397 I C 0.119 176.104 176.117 -0.220 0.000 1.308 397 I CA 0.091 61.094 61.300 -0.495 0.000 1.125 397 I CB 0.099 37.549 38.000 -0.916 0.000 1.034 397 I HN 0.488 nan 8.210 nan 0.000 0.401 398 T N -0.538 113.924 114.554 -0.153 0.000 2.906 398 T HA 0.629 4.678 4.350 -0.503 0.000 0.295 398 T C -0.783 173.579 174.700 -0.564 0.000 1.061 398 T CA -0.684 61.308 62.100 -0.180 0.000 1.000 398 T CB 2.905 71.727 68.868 -0.076 0.000 1.103 398 T HN 0.307 nan 8.240 nan 0.000 0.486 399 K N 0.223 120.102 120.400 -0.868 0.000 2.578 399 K HA 0.616 4.634 4.320 -0.503 0.000 0.269 399 K C -0.956 174.968 176.600 -1.126 0.000 0.941 399 K CA -0.233 55.267 56.287 -1.311 0.000 0.847 399 K CB 1.642 33.756 32.500 -0.642 0.000 1.397 399 K HN 1.480 nan 8.250 nan 0.000 0.422 400 G N 0.442 108.544 108.800 -1.163 0.000 2.347 400 G HA2 0.338 3.996 3.960 -0.503 0.000 0.321 400 G HA3 0.338 3.996 3.960 -0.503 0.000 0.321 400 G C -1.416 172.885 174.900 -1.000 0.000 1.412 400 G CA -0.354 44.260 45.100 -0.810 0.000 0.990 400 G HN 0.633 nan 8.290 nan 0.000 0.637 401 A N 1.159 123.563 122.820 -0.692 0.000 3.077 401 A HA 0.636 4.654 4.320 -0.503 0.000 0.255 401 A C 0.278 177.679 177.584 -0.306 0.000 1.728 401 A CA 0.562 52.010 52.037 -0.981 0.000 1.383 401 A CB -1.210 17.510 19.000 -0.467 0.000 1.097 401 A HN 1.683 nan 8.150 nan 0.000 0.634 402 W N -0.965 120.178 121.300 -0.262 0.000 2.881 402 W HA 0.619 4.977 4.660 -0.504 0.000 0.380 402 W C -1.166 175.368 176.519 0.024 0.000 1.170 402 W CA -0.764 56.587 57.345 0.010 0.000 1.171 402 W CB 0.337 29.796 29.460 -0.001 0.000 1.464 402 W HN 0.250 nan 8.180 nan 0.000 0.574 403 E N 0.688 121.105 120.200 0.362 0.000 2.367 403 E HA 0.456 4.505 4.350 -0.503 0.000 0.273 403 E C -1.250 175.473 176.600 0.205 0.000 0.903 403 E CA -1.156 55.238 56.400 -0.010 0.000 0.764 403 E CB 3.415 33.134 29.700 0.032 0.000 1.252 403 E HN 0.148 nan 8.360 nan 0.000 0.446 404 V N 3.614 123.512 119.914 -0.026 0.000 2.530 404 V HA 0.013 3.831 4.120 -0.503 0.000 0.282 404 V C 1.115 177.296 176.094 0.146 0.000 1.048 404 V CA -0.016 62.360 62.300 0.127 0.000 0.997 404 V CB 0.697 32.483 31.823 -0.062 0.000 0.987 404 V HN 0.675 nan 8.190 nan 0.000 0.477 405 I N 3.249 123.942 120.570 0.207 0.000 2.339 405 I HA 0.247 4.115 4.170 -0.503 0.000 0.245 405 I C 1.121 177.358 176.117 0.200 0.000 1.096 405 I CA 1.194 62.618 61.300 0.207 0.000 1.408 405 I CB -0.913 37.164 38.000 0.129 0.000 1.092 405 I HN 0.734 nan 8.210 nan 0.000 0.423 406 G N 0.539 109.453 108.800 0.190 0.000 2.673 406 G HA2 0.555 4.213 3.960 -0.503 0.000 0.292 406 G HA3 0.555 4.213 3.960 -0.503 0.000 0.292 406 G C -1.238 173.738 174.900 0.126 0.000 1.450 406 G CA -0.551 44.647 45.100 0.164 0.000 0.837 406 G HN -0.036 nan 8.290 nan 0.000 0.505 407 I N 1.520 122.076 120.570 -0.023 0.000 2.371 407 I HA 0.229 4.097 4.170 -0.503 0.000 0.290 407 I C 0.793 176.819 176.117 -0.152 0.000 1.028 407 I CA -0.482 60.699 61.300 -0.199 0.000 1.345 407 I CB 1.791 39.380 38.000 -0.685 0.000 1.407 407 I HN 0.518 nan 8.210 nan 0.000 0.501 408 E N 4.705 124.889 120.200 -0.025 0.000 2.251 408 E HA 0.288 4.336 4.350 -0.503 0.000 0.194 408 E C 0.106 176.649 176.600 -0.094 0.000 0.964 408 E CA 0.262 56.676 56.400 0.024 0.000 0.868 408 E CB 0.913 30.680 29.700 0.111 0.000 0.828 408 E HN 0.724 nan 8.360 nan 0.000 0.481 409 A N 0.495 123.176 122.820 -0.231 0.000 2.605 409 A HA 0.595 4.613 4.320 -0.503 0.000 0.294 409 A C -1.967 175.569 177.584 -0.081 0.000 1.062 409 A CA -0.623 51.249 52.037 -0.276 0.000 0.682 409 A CB 1.270 19.703 19.000 -0.944 0.000 1.278 409 A HN 0.043 nan 8.150 nan 0.000 0.410 410 L N 1.176 122.406 121.223 0.011 0.000 2.464 410 L HA 0.861 4.899 4.340 -0.503 0.000 0.266 410 L C 0.070 176.998 176.870 0.096 0.000 0.965 410 L CA 0.517 55.389 54.840 0.053 0.000 0.833 410 L CB 2.323 44.434 42.059 0.088 0.000 1.296 410 L HN 1.277 nan 8.230 nan 0.000 0.405 411 T N -0.607 114.013 114.554 0.109 0.000 2.858 411 T HA 0.407 4.455 4.350 -0.503 0.000 0.285 411 T C 0.977 175.728 174.700 0.086 0.000 1.052 411 T CA 0.063 62.238 62.100 0.125 0.000 1.009 411 T CB 1.148 70.128 68.868 0.186 0.000 1.241 411 T HN 0.697 nan 8.240 nan 0.000 0.542 412 S N -0.371 115.376 115.700 0.078 0.000 2.442 412 S HA -0.088 4.081 4.470 -0.503 0.000 0.236 412 S C 0.841 175.422 174.600 -0.032 0.000 1.007 412 S CA 1.142 59.370 58.200 0.047 0.000 0.965 412 S CB -0.523 62.704 63.200 0.046 0.000 0.773 412 S HN 0.721 nan 8.310 nan 0.000 0.504 413 D N -0.796 119.557 120.400 -0.078 0.000 2.423 413 D HA 0.265 4.603 4.640 -0.503 0.000 0.212 413 D C -0.528 175.402 176.300 -0.617 0.000 1.060 413 D CA 0.441 54.230 54.000 -0.352 0.000 0.872 413 D CB 0.383 40.903 40.800 -0.466 0.000 1.012 413 D HN 0.452 nan 8.370 nan 0.000 0.503 414 Y N -0.014 120.226 120.300 -0.099 0.000 2.562 414 Y HA 0.431 4.679 4.550 -0.503 0.000 0.345 414 Y C -0.564 175.172 175.900 -0.274 0.000 1.045 414 Y CA -1.168 56.796 58.100 -0.227 0.000 1.028 414 Y CB 2.385 40.624 38.460 -0.369 0.000 1.297 414 Y HN -0.272 nan 8.280 nan 0.000 0.463 415 L N 2.790 123.904 121.223 -0.181 0.000 2.362 415 L HA 0.559 4.598 4.340 -0.503 0.000 0.275 415 L C -2.004 174.727 176.870 -0.232 0.000 0.998 415 L CA -0.838 53.881 54.840 -0.203 0.000 0.820 415 L CB 1.129 42.997 42.059 -0.319 0.000 1.270 415 L HN 0.708 nan 8.230 nan 0.000 0.415 416 Y N 5.385 125.587 120.300 -0.163 0.000 2.360 416 Y HA 0.584 4.833 4.550 -0.503 0.000 0.337 416 Y C -0.209 175.660 175.900 -0.053 0.000 1.039 416 Y CA -0.316 57.661 58.100 -0.205 0.000 1.109 416 Y CB 1.583 39.728 38.460 -0.526 0.000 1.201 416 Y HN 0.573 nan 8.280 nan 0.000 0.458 417 Y N -0.112 120.234 120.300 0.078 0.000 2.625 417 Y HA 0.810 5.058 4.550 -0.503 0.000 0.338 417 Y C -1.815 174.176 175.900 0.151 0.000 1.123 417 Y CA -2.036 56.108 58.100 0.074 0.000 1.046 417 Y CB 1.096 39.577 38.460 0.035 0.000 1.299 417 Y HN 0.409 nan 8.280 nan 0.000 0.464 418 I N 2.925 123.689 120.570 0.324 0.000 2.441 418 I HA 0.660 4.529 4.170 -0.503 0.000 0.295 418 I C -0.395 175.935 176.117 0.354 0.000 0.994 418 I CA -0.547 60.897 61.300 0.240 0.000 1.144 418 I CB 2.015 40.110 38.000 0.158 0.000 1.314 418 I HN 0.863 nan 8.210 nan 0.000 0.445 419 S N 2.972 118.845 115.700 0.289 0.000 2.638 419 S HA 0.421 4.589 4.470 -0.503 0.000 0.274 419 S C -0.544 174.123 174.600 0.113 0.000 1.157 419 S CA -0.900 57.443 58.200 0.238 0.000 0.826 419 S CB 1.738 65.075 63.200 0.228 0.000 1.139 419 S HN 0.649 nan 8.310 nan 0.000 0.474 420 N N -0.363 118.396 118.700 0.099 0.000 2.380 420 N HA 0.143 4.582 4.740 -0.503 0.000 0.255 420 N C 0.539 176.034 175.510 -0.026 0.000 1.158 420 N CA -0.317 52.751 53.050 0.029 0.000 0.878 420 N CB 0.249 38.750 38.487 0.023 0.000 1.138 420 N HN 0.826 nan 8.380 nan 0.000 0.509 421 E N 0.289 120.326 120.200 -0.273 0.000 2.072 421 E HA -0.231 3.817 4.350 -0.503 0.000 0.191 421 E C -0.187 176.244 176.600 -0.283 0.000 0.985 421 E CA 0.450 56.423 56.400 -0.711 0.000 0.801 421 E CB -0.154 28.532 29.700 -1.690 0.000 0.750 421 E HN 0.538 nan 8.360 nan 0.000 0.452 422 H N 0.798 119.784 119.070 -0.140 0.000 3.157 422 H HA -0.055 4.200 4.556 -0.503 0.000 0.299 422 H C 0.120 175.423 175.328 -0.042 0.000 0.961 422 H CA 1.053 57.069 56.048 -0.053 0.000 1.428 422 H CB 0.245 30.004 29.762 -0.005 0.000 1.459 422 H HN 0.053 nan 8.280 nan 0.000 0.566 423 K N 3.055 123.169 120.400 -0.478 0.000 3.349 423 K HA -0.184 3.834 4.320 -0.503 0.000 0.310 423 K C 0.939 177.501 176.600 -0.063 0.000 1.267 423 K CA 1.248 57.366 56.287 -0.281 0.000 0.920 423 K CB -1.636 30.728 32.500 -0.227 0.000 1.240 423 K HN 1.107 nan 8.250 nan 0.000 0.453 424 G N 0.618 109.386 108.800 -0.054 0.000 2.283 424 G HA2 -0.345 3.313 3.960 -0.503 0.000 0.280 424 G HA3 -0.345 3.313 3.960 -0.503 0.000 0.280 424 G C 0.034 174.992 174.900 0.096 0.000 1.029 424 G CA 0.818 45.950 45.100 0.055 0.000 0.840 424 G HN 0.579 nan 8.290 nan 0.000 0.505 425 M N -1.428 118.142 119.600 -0.051 0.000 2.066 425 M HA 0.557 4.735 4.480 -0.503 0.000 0.340 425 M C -1.494 174.602 176.300 -0.340 0.000 1.053 425 M CA -2.457 52.636 55.300 -0.346 0.000 0.983 425 M CB 2.098 34.410 32.600 -0.480 0.000 1.520 425 M HN -0.112 nan 8.290 nan 0.000 0.428 426 P HA -0.069 nan 4.420 nan 0.000 0.219 426 P C 1.160 178.352 177.300 -0.180 0.000 1.146 426 P CA 1.672 64.661 63.100 -0.184 0.000 0.808 426 P CB -0.080 31.568 31.700 -0.086 0.000 0.779 427 G N -0.871 107.750 108.800 -0.299 0.000 3.233 427 G HA2 0.324 3.982 3.960 -0.503 0.000 0.227 427 G HA3 0.324 3.982 3.960 -0.503 0.000 0.227 427 G C 0.623 175.539 174.900 0.027 0.000 1.175 427 G CA 0.106 45.144 45.100 -0.103 0.000 0.781 427 G HN 0.437 nan 8.290 nan 0.000 0.542 428 G N -0.193 108.559 108.800 -0.080 0.000 2.489 428 G HA2 0.669 4.327 3.960 -0.503 0.000 0.327 428 G HA3 0.669 4.327 3.960 -0.503 0.000 0.327 428 G C -0.847 173.944 174.900 -0.182 0.000 1.189 428 G CA -0.800 44.282 45.100 -0.029 0.000 0.962 428 G HN 0.102 nan 8.290 nan 0.000 0.486 429 R N 1.009 121.375 120.500 -0.223 0.000 2.564 429 R HA 0.408 4.446 4.340 -0.503 0.000 0.284 429 R C -1.342 174.951 176.300 -0.012 0.000 1.031 429 R CA -0.794 55.165 56.100 -0.236 0.000 0.904 429 R CB 2.216 32.152 30.300 -0.608 0.000 1.199 429 R HN 0.606 nan 8.270 nan 0.000 0.443 430 N N 1.603 120.319 118.700 0.026 0.000 2.284 430 N HA 0.334 4.772 4.740 -0.503 0.000 0.289 430 N C -1.304 174.117 175.510 -0.147 0.000 1.179 430 N CA -0.839 52.139 53.050 -0.120 0.000 0.774 430 N CB 2.749 41.045 38.487 -0.318 0.000 1.548 430 N HN 0.254 nan 8.380 nan 0.000 0.473 431 L N 2.168 123.157 121.223 -0.391 0.000 2.276 431 L HA 0.457 4.495 4.340 -0.503 0.000 0.286 431 L C -1.440 175.089 176.870 -0.567 0.000 1.061 431 L CA 0.039 54.682 54.840 -0.328 0.000 0.807 431 L CB -0.191 41.666 42.059 -0.337 0.000 1.177 431 L HN 0.397 nan 8.230 nan 0.000 0.429 432 Y N 4.144 124.106 120.300 -0.563 0.000 2.524 432 Y HA 0.651 4.899 4.550 -0.503 0.000 0.344 432 Y C -0.171 175.373 175.900 -0.594 0.000 1.012 432 Y CA -0.803 56.904 58.100 -0.654 0.000 1.068 432 Y CB 1.607 39.457 38.460 -1.017 0.000 1.249 432 Y HN 0.516 nan 8.280 nan 0.000 0.468 433 R N 3.056 123.389 120.500 -0.278 0.000 2.513 433 R HA 0.654 4.692 4.340 -0.503 0.000 0.301 433 R C -1.855 174.363 176.300 -0.136 0.000 0.968 433 R CA -0.589 55.267 56.100 -0.405 0.000 0.872 433 R CB 1.322 31.279 30.300 -0.572 0.000 1.177 433 R HN 0.898 nan 8.270 nan 0.000 0.444 434 I N 2.773 123.319 120.570 -0.040 0.000 2.474 434 I HA 0.272 4.140 4.170 -0.503 0.000 0.294 434 I C -0.630 175.552 176.117 0.109 0.000 1.005 434 I CA -0.784 60.581 61.300 0.108 0.000 1.113 434 I CB 2.038 40.164 38.000 0.209 0.000 1.289 434 I HN 0.674 nan 8.210 nan 0.000 0.436 435 Q N 4.829 124.696 119.800 0.111 0.000 2.296 435 Q HA 0.140 4.179 4.340 -0.503 0.000 0.263 435 Q C 0.404 176.356 176.000 -0.080 0.000 1.026 435 Q CA -0.493 55.278 55.803 -0.053 0.000 0.912 435 Q CB 1.355 30.069 28.738 -0.040 0.000 1.198 435 Q HN 0.697 nan 8.270 nan 0.000 0.407 436 L N 3.489 124.602 121.223 -0.182 0.000 2.191 436 L HA -0.212 3.826 4.340 -0.503 0.000 0.212 436 L C 1.842 178.577 176.870 -0.225 0.000 1.103 436 L CA 1.477 56.255 54.840 -0.103 0.000 0.769 436 L CB -0.577 41.411 42.059 -0.118 0.000 0.908 436 L HN 0.681 nan 8.230 nan 0.000 0.438 437 N N -1.998 116.551 118.700 -0.252 0.000 2.398 437 N HA -0.061 4.377 4.740 -0.503 0.000 0.188 437 N C -0.208 175.124 175.510 -0.297 0.000 1.122 437 N CA 0.439 53.333 53.050 -0.260 0.000 0.866 437 N CB 0.007 38.380 38.487 -0.189 0.000 0.970 437 N HN 0.208 nan 8.380 nan 0.000 0.462 438 D N -0.497 119.731 120.400 -0.288 0.000 2.474 438 D HA 0.064 4.403 4.640 -0.503 0.000 0.234 438 D C -0.441 175.813 176.300 -0.076 0.000 1.323 438 D CA -0.557 53.315 54.000 -0.213 0.000 0.915 438 D CB -0.339 40.397 40.800 -0.108 0.000 1.487 438 D HN -0.122 nan 8.370 nan 0.000 0.524 439 Y N 0.610 120.898 120.300 -0.020 0.000 2.556 439 Y HA -0.125 4.123 4.550 -0.503 0.000 0.290 439 Y C 2.595 178.505 175.900 0.018 0.000 1.149 439 Y CA 1.526 59.625 58.100 -0.001 0.000 1.329 439 Y CB -0.939 37.522 38.460 0.002 0.000 0.975 439 Y HN 0.425 nan 8.280 nan 0.000 0.561 440 T N -2.487 112.153 114.554 0.143 0.000 3.067 440 T HA -0.004 4.044 4.350 -0.503 0.000 0.261 440 T C 0.656 175.410 174.700 0.089 0.000 1.110 440 T CA 0.034 62.195 62.100 0.102 0.000 1.113 440 T CB -0.204 68.699 68.868 0.058 0.000 0.917 440 T HN 0.142 nan 8.240 nan 0.000 0.499 441 K N 1.911 122.361 120.400 0.083 0.000 2.231 441 K HA 0.522 4.540 4.320 -0.503 0.000 0.275 441 K C -1.115 175.547 176.600 0.103 0.000 1.105 441 K CA -0.411 55.922 56.287 0.076 0.000 0.931 441 K CB 1.414 33.947 32.500 0.055 0.000 1.296 441 K HN 0.196 nan 8.250 nan 0.000 0.446 442 V N 2.466 122.444 119.914 0.106 0.000 2.588 442 V HA 0.438 4.256 4.120 -0.503 0.000 0.304 442 V C -1.006 175.143 176.094 0.092 0.000 1.042 442 V CA -0.185 62.190 62.300 0.125 0.000 0.877 442 V CB 2.113 34.048 31.823 0.188 0.000 0.996 442 V HN 0.628 nan 8.190 nan 0.000 0.425 443 T N 5.833 120.412 114.554 0.041 0.000 2.829 443 T HA 0.326 4.374 4.350 -0.503 0.000 0.280 443 T C -0.597 174.029 174.700 -0.122 0.000 0.999 443 T CA -0.262 61.821 62.100 -0.028 0.000 0.983 443 T CB 1.171 69.994 68.868 -0.076 0.000 0.968 443 T HN 0.917 nan 8.240 nan 0.000 0.446 444 C N 5.211 124.373 119.300 -0.230 0.000 2.373 444 C HA 0.426 4.584 4.460 -0.503 0.000 0.354 444 C C 1.719 176.413 174.990 -0.494 0.000 1.249 444 C CA -0.583 58.041 59.018 -0.656 0.000 1.784 444 C CB -1.956 25.332 27.740 -0.752 0.000 2.408 444 C HN 0.991 nan 8.230 nan 0.000 0.542 445 L N 4.517 125.428 121.223 -0.520 0.000 2.341 445 L HA 0.042 4.080 4.340 -0.503 0.000 0.214 445 L C 2.283 178.880 176.870 -0.456 0.000 1.115 445 L CA 1.210 55.825 54.840 -0.376 0.000 0.820 445 L CB -0.201 41.672 42.059 -0.310 0.000 0.944 445 L HN 0.889 nan 8.230 nan 0.000 0.452 446 S N -3.179 112.129 115.700 -0.654 0.000 2.559 446 S HA -0.014 4.155 4.470 -0.503 0.000 0.226 446 S C 1.837 176.054 174.600 -0.639 0.000 1.030 446 S CA -0.180 57.532 58.200 -0.814 0.000 0.956 446 S CB -0.371 61.940 63.200 -1.483 0.000 0.900 446 S HN 0.302 nan 8.310 nan 0.000 0.510 447 C N 1.964 120.895 119.300 -0.614 0.000 2.403 447 C HA 0.007 4.165 4.460 -0.503 0.000 0.277 447 C C 2.282 177.053 174.990 -0.365 0.000 1.248 447 C CA 1.310 59.951 59.018 -0.629 0.000 1.762 447 C CB -1.079 26.143 27.740 -0.864 0.000 2.014 447 C HN 0.616 nan 8.230 nan 0.000 0.486 448 E N -0.332 119.719 120.200 -0.247 0.000 2.501 448 E HA 0.218 4.266 4.350 -0.503 0.000 0.201 448 E C 1.746 178.306 176.600 -0.067 0.000 1.016 448 E CA -0.139 56.191 56.400 -0.116 0.000 0.920 448 E CB -0.074 29.573 29.700 -0.087 0.000 1.023 448 E HN 0.537 nan 8.360 nan 0.000 0.474 449 L N -0.215 120.965 121.223 -0.072 0.000 1.994 449 L HA -0.081 3.957 4.340 -0.503 0.000 0.208 449 L C 0.481 177.364 176.870 0.022 0.000 1.071 449 L CA 1.117 55.952 54.840 -0.010 0.000 0.745 449 L CB -0.066 42.004 42.059 0.018 0.000 0.892 449 L HN 0.052 nan 8.230 nan 0.000 0.431 450 N N -1.443 117.286 118.700 0.049 0.000 2.722 450 N HA 0.120 4.559 4.740 -0.503 0.000 0.242 450 N C -1.963 173.568 175.510 0.035 0.000 1.398 450 N CA -0.699 52.370 53.050 0.030 0.000 0.755 450 N CB 1.261 39.760 38.487 0.019 0.000 1.268 450 N HN -0.112 nan 8.380 nan 0.000 0.522 451 P HA -0.211 nan 4.420 nan 0.000 0.216 451 P C 0.496 177.824 177.300 0.046 0.000 1.150 451 P CA 1.488 64.615 63.100 0.047 0.000 0.843 451 P CB 0.561 32.292 31.700 0.052 0.000 0.787 452 E N -0.412 119.803 120.200 0.025 0.000 2.086 452 E HA -0.073 3.975 4.350 -0.503 0.000 0.190 452 E C 2.312 178.911 176.600 -0.001 0.000 0.975 452 E CA 0.606 57.016 56.400 0.017 0.000 0.813 452 E CB -0.441 29.263 29.700 0.007 0.000 0.768 452 E HN 0.300 nan 8.360 nan 0.000 0.457 453 R N -0.057 120.431 120.500 -0.020 0.000 2.093 453 R HA 0.030 4.068 4.340 -0.503 0.000 0.224 453 R C 0.082 176.333 176.300 -0.081 0.000 1.101 453 R CA 0.747 56.814 56.100 -0.055 0.000 0.979 453 R CB 0.287 30.544 30.300 -0.072 0.000 0.877 453 R HN 0.030 nan 8.270 nan 0.000 0.441 454 c N 0.862 119.419 118.600 -0.072 0.000 2.316 454 c HA 0.401 4.670 4.570 -0.503 0.000 0.324 454 c C 0.019 174.087 174.090 -0.036 0.000 1.226 454 c CA -0.705 55.522 56.329 -0.170 0.000 1.450 454 c CB 1.324 43.649 42.510 -0.308 0.000 2.123 454 c HN 0.528 nan 8.230 nan 0.000 0.454 455 Q N 0.411 120.199 119.800 -0.021 0.000 2.140 455 Q HA 0.195 4.233 4.340 -0.503 0.000 0.227 455 Q C -0.918 175.175 176.000 0.154 0.000 0.798 455 Q CA 0.106 55.971 55.803 0.103 0.000 0.987 455 Q CB 1.311 30.114 28.738 0.108 0.000 1.161 455 Q HN 0.794 nan 8.270 nan 0.000 0.480 456 Y N 0.408 120.663 120.300 -0.075 0.000 2.373 456 Y HA 0.380 4.628 4.550 -0.503 0.000 0.327 456 Y C -1.694 174.190 175.900 -0.026 0.000 1.036 456 Y CA -1.119 56.996 58.100 0.025 0.000 1.265 456 Y CB 0.746 39.240 38.460 0.057 0.000 1.108 456 Y HN -0.091 nan 8.280 nan 0.000 0.471 457 Y N 2.277 122.621 120.300 0.074 0.000 2.509 457 Y HA 0.688 4.936 4.550 -0.503 0.000 0.341 457 Y C 0.167 176.146 175.900 0.133 0.000 1.038 457 Y CA -0.614 57.526 58.100 0.067 0.000 1.089 457 Y CB 2.351 40.767 38.460 -0.074 0.000 1.241 457 Y HN 0.513 nan 8.280 nan 0.000 0.468 458 S N 0.896 116.831 115.700 0.391 0.000 2.632 458 S HA 0.991 5.159 4.470 -0.503 0.000 0.289 458 S C -1.157 173.597 174.600 0.256 0.000 1.115 458 S CA -0.587 57.826 58.200 0.356 0.000 0.889 458 S CB 2.088 65.605 63.200 0.527 0.000 1.116 458 S HN 1.023 nan 8.310 nan 0.000 0.486 459 A N 0.388 123.350 122.820 0.236 0.000 2.566 459 A HA 0.898 4.916 4.320 -0.503 0.000 0.292 459 A C -0.701 177.030 177.584 0.245 0.000 1.112 459 A CA -0.676 51.465 52.037 0.173 0.000 0.707 459 A CB 1.623 20.669 19.000 0.077 0.000 1.302 459 A HN 1.477 nan 8.150 nan 0.000 0.409 460 S N 0.267 116.087 115.700 0.199 0.000 2.736 460 S HA 0.704 4.872 4.470 -0.503 0.000 0.285 460 S C -1.578 173.185 174.600 0.272 0.000 1.163 460 S CA -0.365 58.046 58.200 0.352 0.000 1.025 460 S CB -0.011 63.440 63.200 0.418 0.000 1.030 460 S HN 0.478 nan 8.310 nan 0.000 0.486 461 F N 3.028 123.052 119.950 0.123 0.000 2.397 461 F HA 0.524 4.749 4.527 -0.503 0.000 0.331 461 F C 1.315 176.735 175.800 -0.633 0.000 1.090 461 F CA -0.439 57.454 58.000 -0.178 0.000 1.065 461 F CB 1.672 40.546 39.000 -0.210 0.000 1.184 461 F HN 0.647 nan 8.300 nan 0.000 0.499 462 S N 1.294 116.363 115.700 -1.053 0.000 2.641 462 S HA 0.272 4.440 4.470 -0.503 0.000 0.261 462 S C -0.126 174.301 174.600 -0.288 0.000 1.257 462 S CA -0.969 56.503 58.200 -1.212 0.000 0.983 462 S CB 0.121 62.560 63.200 -1.268 0.000 0.990 462 S HN 0.663 nan 8.310 nan 0.000 0.572 463 N N 1.250 119.908 118.700 -0.070 0.000 2.454 463 N HA 0.093 4.531 4.740 -0.503 0.000 0.254 463 N C -0.132 175.400 175.510 0.036 0.000 1.228 463 N CA -0.106 52.974 53.050 0.049 0.000 0.900 463 N CB 0.080 38.635 38.487 0.113 0.000 1.089 463 N HN 0.624 nan 8.380 nan 0.000 0.449 464 K N 0.653 121.087 120.400 0.057 0.000 3.349 464 K HA -0.302 3.716 4.320 -0.503 0.000 0.310 464 K C 0.217 176.838 176.600 0.035 0.000 1.267 464 K CA 0.506 56.828 56.287 0.058 0.000 0.920 464 K CB -1.691 30.848 32.500 0.064 0.000 1.240 464 K HN 0.878 nan 8.250 nan 0.000 0.453 465 A N 0.006 122.835 122.820 0.015 0.000 2.799 465 A HA -0.336 3.682 4.320 -0.503 0.000 0.287 465 A C 1.254 178.844 177.584 0.011 0.000 1.484 465 A CA 2.071 54.136 52.037 0.047 0.000 0.813 465 A CB -1.404 17.553 19.000 -0.072 0.000 1.009 465 A HN 0.537 nan 8.150 nan 0.000 0.545 466 K N -2.197 118.145 120.400 -0.097 0.000 2.148 466 K HA 0.049 4.067 4.320 -0.503 0.000 0.204 466 K C 0.140 176.388 176.600 -0.586 0.000 1.050 466 K CA 1.493 57.592 56.287 -0.314 0.000 0.942 466 K CB 0.026 32.333 32.500 -0.322 0.000 0.724 466 K HN 0.745 nan 8.250 nan 0.000 0.446 467 Y N -1.135 119.070 120.300 -0.158 0.000 2.609 467 Y HA 0.319 4.567 4.550 -0.503 0.000 0.342 467 Y C -0.806 174.928 175.900 -0.277 0.000 1.058 467 Y CA -1.627 56.357 58.100 -0.193 0.000 1.055 467 Y CB 1.627 40.003 38.460 -0.141 0.000 1.292 467 Y HN -0.055 nan 8.280 nan 0.000 0.476 468 Y N -1.135 119.083 120.300 -0.135 0.000 2.544 468 Y HA 0.532 4.780 4.550 -0.503 0.000 0.342 468 Y C -1.191 174.707 175.900 -0.004 0.000 1.062 468 Y CA -1.489 56.372 58.100 -0.399 0.000 1.023 468 Y CB 1.467 39.116 38.460 -1.352 0.000 1.308 468 Y HN 0.600 nan 8.280 nan 0.000 0.457 469 Q N 3.530 123.470 119.800 0.233 0.000 2.257 469 Q HA 0.566 4.605 4.340 -0.503 0.000 0.255 469 Q C -1.771 174.323 176.000 0.157 0.000 0.920 469 Q CA -0.679 55.223 55.803 0.164 0.000 0.927 469 Q CB 1.302 30.111 28.738 0.118 0.000 1.229 469 Q HN 0.961 nan 8.270 nan 0.000 0.433 470 L N 4.471 125.786 121.223 0.153 0.000 2.295 470 L HA 0.534 4.573 4.340 -0.503 0.000 0.285 470 L C -0.371 176.516 176.870 0.027 0.000 1.035 470 L CA -0.636 54.275 54.840 0.118 0.000 0.806 470 L CB 1.409 43.508 42.059 0.068 0.000 1.214 470 L HN 0.643 nan 8.230 nan 0.000 0.426 471 R N 2.703 123.168 120.500 -0.057 0.000 2.320 471 R HA 0.302 4.340 4.340 -0.503 0.000 0.319 471 R C -0.933 174.863 176.300 -0.840 0.000 0.969 471 R CA -0.527 55.222 56.100 -0.585 0.000 0.857 471 R CB 1.461 31.483 30.300 -0.464 0.000 1.160 471 R HN 0.554 nan 8.270 nan 0.000 0.491 472 c N 4.384 122.398 118.600 -0.976 0.000 2.325 472 c HA 0.412 4.680 4.570 -0.503 0.000 0.347 472 c C 0.650 174.217 174.090 -0.871 0.000 1.263 472 c CA -0.514 55.198 56.329 -1.029 0.000 1.806 472 c CB -0.910 41.073 42.510 -0.878 0.000 2.405 472 c HN 0.957 nan 8.230 nan 0.000 0.537 473 F N 4.150 123.954 119.950 -0.243 0.000 2.695 473 F HA 0.446 4.672 4.527 -0.502 0.000 0.303 473 F C 1.509 177.270 175.800 -0.066 0.000 1.091 473 F CA 0.687 58.620 58.000 -0.112 0.000 1.300 473 F CB 0.325 39.287 39.000 -0.064 0.000 1.071 473 F HN 0.963 nan 8.300 nan 0.000 0.578 474 G N -0.057 108.766 108.800 0.038 0.000 2.315 474 G HA2 0.145 3.803 3.960 -0.503 0.000 0.294 474 G HA3 0.145 3.803 3.960 -0.503 0.000 0.294 474 G C -2.541 172.366 174.900 0.012 0.000 1.300 474 G CA -0.631 44.507 45.100 0.063 0.000 0.843 474 G HN -0.320 nan 8.290 nan 0.000 0.527 475 P HA 0.126 nan 4.420 nan 0.000 0.233 475 P C 1.246 178.593 177.300 0.079 0.000 1.167 475 P CA 1.357 64.503 63.100 0.077 0.000 0.770 475 P CB 0.371 32.105 31.700 0.057 0.000 0.837 476 G N 0.438 109.216 108.800 -0.037 0.000 2.510 476 G HA2 0.415 4.074 3.960 -0.503 0.000 0.280 476 G HA3 0.415 4.074 3.960 -0.503 0.000 0.280 476 G C -0.271 174.420 174.900 -0.349 0.000 1.386 476 G CA -0.761 44.243 45.100 -0.160 0.000 1.047 476 G HN 0.035 nan 8.290 nan 0.000 0.527 477 L N 1.199 122.130 121.223 -0.487 0.000 2.453 477 L HA 0.174 4.212 4.340 -0.503 0.000 0.272 477 L C -1.944 174.768 176.870 -0.262 0.000 1.182 477 L CA -1.301 53.204 54.840 -0.558 0.000 0.858 477 L CB 0.586 42.389 42.059 -0.427 0.000 1.120 477 L HN 0.220 nan 8.230 nan 0.000 0.474 478 P HA -0.027 nan 4.420 nan 0.000 0.263 478 P C -0.886 176.319 177.300 -0.159 0.000 1.175 478 P CA 0.145 63.170 63.100 -0.124 0.000 0.761 478 P CB 0.474 32.248 31.700 0.123 0.000 0.794 479 L N 5.440 126.440 121.223 -0.373 0.000 2.406 479 L HA 0.474 4.512 4.340 -0.503 0.000 0.272 479 L C -1.776 174.835 176.870 -0.432 0.000 0.980 479 L CA -0.682 54.004 54.840 -0.256 0.000 0.831 479 L CB 0.943 42.884 42.059 -0.198 0.000 1.253 479 L HN 0.221 nan 8.230 nan 0.000 0.406 480 Y N 2.968 123.188 120.300 -0.133 0.000 2.328 480 Y HA 0.739 4.987 4.550 -0.503 0.000 0.337 480 Y C 0.517 176.302 175.900 -0.192 0.000 0.966 480 Y CA -0.459 57.550 58.100 -0.150 0.000 1.136 480 Y CB 2.039 40.415 38.460 -0.141 0.000 1.170 480 Y HN 0.686 nan 8.280 nan 0.000 0.470 481 T N 0.730 115.269 114.554 -0.025 0.000 2.901 481 T HA 0.736 4.784 4.350 -0.503 0.000 0.293 481 T C -1.561 173.081 174.700 -0.097 0.000 1.084 481 T CA -0.923 61.124 62.100 -0.088 0.000 1.008 481 T CB 2.033 70.911 68.868 0.016 0.000 1.170 481 T HN 0.387 nan 8.240 nan 0.000 0.509 482 L N 1.367 122.412 121.223 -0.296 0.000 2.365 482 L HA 0.745 4.783 4.340 -0.503 0.000 0.273 482 L C -1.402 175.155 176.870 -0.521 0.000 1.000 482 L CA -0.279 54.417 54.840 -0.240 0.000 0.819 482 L CB 1.394 43.331 42.059 -0.204 0.000 1.284 482 L HN 0.904 nan 8.230 nan 0.000 0.418 483 H N 1.069 119.894 119.070 -0.408 0.000 2.865 483 H HA 0.623 4.877 4.556 -0.503 0.000 0.372 483 H C -0.899 174.190 175.328 -0.399 0.000 1.173 483 H CA -0.678 55.029 56.048 -0.567 0.000 1.147 483 H CB 1.962 31.015 29.762 -1.182 0.000 1.805 483 H HN 0.513 nan 8.280 nan 0.000 0.553 484 S N 0.245 115.879 115.700 -0.110 0.000 2.442 484 S HA 0.213 4.381 4.470 -0.503 0.000 0.297 484 S C 0.562 175.119 174.600 -0.072 0.000 1.131 484 S CA -0.554 57.620 58.200 -0.043 0.000 1.092 484 S CB 0.699 63.908 63.200 0.016 0.000 0.998 484 S HN 0.636 nan 8.310 nan 0.000 0.478 485 S N 3.247 118.901 115.700 -0.076 0.000 2.428 485 S HA -0.077 4.091 4.470 -0.503 0.000 0.230 485 S C 2.090 176.700 174.600 0.017 0.000 1.014 485 S CA 1.156 59.425 58.200 0.114 0.000 0.957 485 S CB -0.230 63.041 63.200 0.118 0.000 0.784 485 S HN 0.938 nan 8.310 nan 0.000 0.499 486 S N 1.536 117.195 115.700 -0.069 0.000 2.453 486 S HA -0.006 4.162 4.470 -0.503 0.000 0.231 486 S C 1.638 176.225 174.600 -0.021 0.000 1.005 486 S CA 1.057 59.230 58.200 -0.045 0.000 0.949 486 S CB -0.188 62.972 63.200 -0.066 0.000 0.774 486 S HN 0.543 nan 8.310 nan 0.000 0.510 487 S N -0.487 115.205 115.700 -0.014 0.000 2.649 487 S HA 0.245 4.413 4.470 -0.503 0.000 0.246 487 S C 0.032 174.641 174.600 0.014 0.000 1.057 487 S CA 0.199 58.399 58.200 0.000 0.000 1.051 487 S CB 0.036 63.236 63.200 0.001 0.000 1.018 487 S HN 0.243 nan 8.310 nan 0.000 0.569 488 D N 1.446 121.868 120.400 0.037 0.000 2.911 488 D HA -0.153 4.185 4.640 -0.503 0.000 0.227 488 D C -0.078 176.262 176.300 0.066 0.000 1.164 488 D CA 1.110 55.158 54.000 0.081 0.000 0.782 488 D CB -0.991 39.852 40.800 0.070 0.000 1.094 488 D HN 0.680 nan 8.370 nan 0.000 0.425 489 K N 1.203 121.617 120.400 0.023 0.000 2.174 489 K HA 0.222 4.240 4.320 -0.503 0.000 0.275 489 K C 0.111 176.672 176.600 -0.065 0.000 1.015 489 K CA -0.427 55.858 56.287 -0.004 0.000 0.933 489 K CB 1.025 33.515 32.500 -0.016 0.000 1.025 489 K HN 0.010 nan 8.250 nan 0.000 0.463 490 E N 4.671 124.796 120.200 -0.124 0.000 2.180 490 E HA 0.033 4.081 4.350 -0.503 0.000 0.283 490 E C 0.444 176.864 176.600 -0.299 0.000 1.061 490 E CA -0.202 55.942 56.400 -0.426 0.000 0.861 490 E CB 0.600 30.099 29.700 -0.334 0.000 1.056 490 E HN 0.679 nan 8.360 nan 0.000 0.407 491 L N 4.832 125.858 121.223 -0.328 0.000 2.179 491 L HA 0.056 4.094 4.340 -0.503 0.000 0.208 491 L C 0.982 177.749 176.870 -0.172 0.000 1.096 491 L CA 0.694 55.426 54.840 -0.179 0.000 0.779 491 L CB -0.404 41.579 42.059 -0.128 0.000 0.922 491 L HN 0.624 nan 8.230 nan 0.000 0.443 492 R N -2.456 117.898 120.500 -0.243 0.000 3.033 492 R HA 0.299 4.337 4.340 -0.503 0.000 0.284 492 R C -1.665 174.493 176.300 -0.237 0.000 0.997 492 R CA -0.925 55.057 56.100 -0.197 0.000 0.851 492 R CB 0.855 31.065 30.300 -0.151 0.000 1.297 492 R HN -0.288 nan 8.270 nan 0.000 0.518 493 V N 2.845 122.647 119.914 -0.187 0.000 2.461 493 V HA 0.199 4.017 4.120 -0.503 0.000 0.275 493 V C 1.302 177.247 176.094 -0.248 0.000 1.047 493 V CA -0.377 61.815 62.300 -0.180 0.000 0.955 493 V CB 1.167 32.921 31.823 -0.115 0.000 0.988 493 V HN 0.635 nan 8.190 nan 0.000 0.471 494 L N 2.473 123.484 121.223 -0.354 0.000 2.253 494 L HA 0.330 4.368 4.340 -0.503 0.000 0.205 494 L C 0.663 177.311 176.870 -0.370 0.000 1.078 494 L CA 0.599 55.042 54.840 -0.660 0.000 0.805 494 L CB 0.257 41.525 42.059 -1.318 0.000 0.963 494 L HN 0.694 nan 8.230 nan 0.000 0.459 495 E N 0.038 120.155 120.200 -0.137 0.000 2.343 495 E HA 0.098 4.146 4.350 -0.503 0.000 0.288 495 E C -1.215 175.430 176.600 0.076 0.000 0.907 495 E CA -0.354 56.058 56.400 0.020 0.000 0.792 495 E CB 1.104 30.848 29.700 0.073 0.000 1.275 495 E HN 0.155 nan 8.360 nan 0.000 0.402 496 D N 3.086 123.504 120.400 0.029 0.000 2.469 496 D HA 0.146 4.484 4.640 -0.503 0.000 0.213 496 D C -0.305 175.998 176.300 0.005 0.000 1.135 496 D CA -0.246 53.759 54.000 0.008 0.000 0.834 496 D CB -0.053 40.733 40.800 -0.024 0.000 1.009 496 D HN 0.455 nan 8.370 nan 0.000 0.507 497 N N 0.526 119.243 118.700 0.029 0.000 2.735 497 N HA -0.213 4.226 4.740 -0.503 0.000 0.248 497 N C 0.926 176.437 175.510 0.001 0.000 1.083 497 N CA 0.895 53.957 53.050 0.021 0.000 0.703 497 N CB -1.271 37.226 38.487 0.017 0.000 1.005 497 N HN 0.482 nan 8.380 nan 0.000 0.550 498 S N -1.003 114.697 115.700 0.001 0.000 2.382 498 S HA -0.076 4.092 4.470 -0.503 0.000 0.228 498 S C 2.114 176.724 174.600 0.016 0.000 1.027 498 S CA 1.005 59.205 58.200 0.000 0.000 0.991 498 S CB -0.161 63.039 63.200 -0.000 0.000 0.823 498 S HN 0.525 nan 8.310 nan 0.000 0.469 499 A N 2.214 125.049 122.820 0.026 0.000 1.858 499 A HA 0.028 4.046 4.320 -0.503 0.000 0.216 499 A C 2.249 179.875 177.584 0.070 0.000 1.190 499 A CA 1.671 53.732 52.037 0.040 0.000 0.617 499 A CB -0.997 18.024 19.000 0.034 0.000 0.827 499 A HN 0.511 nan 8.150 nan 0.000 0.443 500 L N 0.524 121.794 121.223 0.078 0.000 2.012 500 L HA -0.187 3.851 4.340 -0.503 0.000 0.210 500 L C 2.013 178.940 176.870 0.096 0.000 1.073 500 L CA 2.936 57.852 54.840 0.127 0.000 0.748 500 L CB -0.847 41.278 42.059 0.110 0.000 0.891 500 L HN 0.529 nan 8.230 nan 0.000 0.431 501 D N -0.593 119.823 120.400 0.027 0.000 2.133 501 D HA -0.307 4.031 4.640 -0.503 0.000 0.192 501 D C 2.169 178.490 176.300 0.035 0.000 1.001 501 D CA 1.783 55.782 54.000 -0.001 0.000 0.844 501 D CB -0.080 40.705 40.800 -0.025 0.000 0.944 501 D HN 0.227 nan 8.370 nan 0.000 0.447 502 K N -0.102 120.329 120.400 0.051 0.000 1.991 502 K HA -0.103 3.915 4.320 -0.503 0.000 0.212 502 K C 2.291 178.955 176.600 0.106 0.000 1.049 502 K CA 1.610 57.935 56.287 0.063 0.000 0.932 502 K CB -0.578 31.955 32.500 0.056 0.000 0.717 502 K HN 0.250 nan 8.250 nan 0.000 0.441 503 M N 0.075 119.771 119.600 0.160 0.000 2.108 503 M HA -0.218 3.960 4.480 -0.503 0.000 0.257 503 M C 2.010 178.501 176.300 0.318 0.000 1.071 503 M CA 1.690 57.159 55.300 0.282 0.000 1.093 503 M CB -0.446 32.400 32.600 0.410 0.000 1.345 503 M HN 0.131 nan 8.290 nan 0.000 0.403 504 L N -0.432 120.901 121.223 0.183 0.000 2.465 504 L HA -0.167 3.872 4.340 -0.503 0.000 0.224 504 L C 2.270 179.160 176.870 0.033 0.000 1.145 504 L CA 0.640 55.496 54.840 0.027 0.000 0.834 504 L CB -0.489 41.541 42.059 -0.048 0.000 0.944 504 L HN 0.421 nan 8.230 nan 0.000 0.451 505 Q N -0.659 119.179 119.800 0.063 0.000 2.297 505 Q HA -0.177 3.861 4.340 -0.503 0.000 0.204 505 Q C 1.469 177.508 176.000 0.065 0.000 0.962 505 Q CA 0.906 56.737 55.803 0.047 0.000 0.879 505 Q CB 0.059 28.822 28.738 0.042 0.000 0.947 505 Q HN 0.409 nan 8.270 nan 0.000 0.462 506 D N 0.127 120.587 120.400 0.100 0.000 2.323 506 D HA -0.016 4.322 4.640 -0.503 0.000 0.209 506 D C -0.052 176.320 176.300 0.120 0.000 0.973 506 D CA 0.111 54.177 54.000 0.110 0.000 0.874 506 D CB 0.613 41.492 40.800 0.131 0.000 0.930 506 D HN -0.024 nan 8.370 nan 0.000 0.521 507 V N 1.119 121.099 119.914 0.111 0.000 2.617 507 V HA 0.211 4.029 4.120 -0.503 0.000 0.298 507 V C -0.459 175.674 176.094 0.064 0.000 1.048 507 V CA -0.532 61.828 62.300 0.101 0.000 0.964 507 V CB 1.759 33.617 31.823 0.058 0.000 1.004 507 V HN -0.063 nan 8.190 nan 0.000 0.466 508 Q N 6.188 126.045 119.800 0.094 0.000 2.664 508 Q HA 0.303 4.341 4.340 -0.503 0.000 0.223 508 Q C -0.484 175.541 176.000 0.043 0.000 1.298 508 Q CA -0.218 55.636 55.803 0.084 0.000 0.965 508 Q CB 0.492 29.329 28.738 0.166 0.000 1.510 508 Q HN 0.592 nan 8.270 nan 0.000 0.567 509 M N 3.465 123.057 119.600 -0.014 0.000 2.242 509 M HA 0.317 4.495 4.480 -0.503 0.000 0.344 509 M C -1.943 174.322 176.300 -0.058 0.000 1.140 509 M CA -2.325 52.943 55.300 -0.053 0.000 1.160 509 M CB -0.143 32.411 32.600 -0.076 0.000 1.491 509 M HN 0.304 nan 8.290 nan 0.000 0.459 510 P HA 0.311 nan 4.420 nan 0.000 0.280 510 P C -0.989 176.248 177.300 -0.104 0.000 1.272 510 P CA -0.441 62.602 63.100 -0.094 0.000 0.819 510 P CB 0.839 32.473 31.700 -0.110 0.000 1.122 511 S N -0.745 114.877 115.700 -0.131 0.000 2.578 511 S HA 0.556 4.724 4.470 -0.503 0.000 0.301 511 S C -0.487 174.031 174.600 -0.136 0.000 1.091 511 S CA -0.808 57.323 58.200 -0.115 0.000 1.032 511 S CB 1.677 64.805 63.200 -0.119 0.000 1.064 511 S HN 0.494 nan 8.310 nan 0.000 0.508 512 K N 1.173 121.518 120.400 -0.092 0.000 2.358 512 K HA 0.410 4.428 4.320 -0.503 0.000 0.260 512 K C -1.069 175.489 176.600 -0.069 0.000 0.956 512 K CA -0.511 55.726 56.287 -0.085 0.000 0.834 512 K CB 1.011 33.479 32.500 -0.053 0.000 1.102 512 K HN 0.758 nan 8.250 nan 0.000 0.431 513 K N 5.028 125.374 120.400 -0.089 0.000 2.270 513 K HA 0.374 4.392 4.320 -0.503 0.000 0.255 513 K C -1.467 175.091 176.600 -0.069 0.000 0.936 513 K CA -0.773 55.469 56.287 -0.075 0.000 0.809 513 K CB 1.010 33.442 32.500 -0.113 0.000 1.131 513 K HN 0.414 nan 8.250 nan 0.000 0.427 514 L N 2.983 124.183 121.223 -0.038 0.000 2.346 514 L HA 0.543 4.582 4.340 -0.503 0.000 0.274 514 L C -0.340 176.467 176.870 -0.106 0.000 1.007 514 L CA -0.091 54.734 54.840 -0.025 0.000 0.818 514 L CB 1.795 43.958 42.059 0.173 0.000 1.284 514 L HN 0.820 nan 8.230 nan 0.000 0.424 515 D N 0.368 120.513 120.400 -0.424 0.000 2.851 515 D HA 0.550 4.888 4.640 -0.503 0.000 0.339 515 D C -1.698 174.229 176.300 -0.622 0.000 1.347 515 D CA -0.148 53.551 54.000 -0.500 0.000 0.888 515 D CB 2.140 42.721 40.800 -0.365 0.000 1.431 515 D HN 0.141 nan 8.370 nan 0.000 0.509 516 V N 1.020 120.715 119.914 -0.366 0.000 3.001 516 V HA 0.703 4.521 4.120 -0.503 0.000 0.314 516 V C -0.061 176.163 176.094 0.217 0.000 1.099 516 V CA -0.673 61.506 62.300 -0.202 0.000 0.989 516 V CB 2.030 33.483 31.823 -0.618 0.000 1.040 516 V HN 0.533 nan 8.190 nan 0.000 0.434 517 I N -0.228 120.502 120.570 0.267 0.000 3.095 517 I HA 0.703 4.571 4.170 -0.503 0.000 0.310 517 I C -1.197 175.016 176.117 0.159 0.000 1.196 517 I CA -0.907 60.509 61.300 0.194 0.000 0.985 517 I CB 2.689 40.767 38.000 0.130 0.000 1.250 517 I HN 0.448 nan 8.210 nan 0.000 0.446 518 N N 2.451 121.196 118.700 0.075 0.000 2.372 518 N HA 0.747 5.186 4.740 -0.503 0.000 0.291 518 N C -1.592 173.942 175.510 0.039 0.000 1.024 518 N CA -0.381 52.705 53.050 0.059 0.000 0.873 518 N CB 1.890 40.377 38.487 -0.000 0.000 1.206 518 N HN 0.524 nan 8.380 nan 0.000 0.486 519 L N 2.764 124.051 121.223 0.107 0.000 2.409 519 L HA 0.344 4.382 4.340 -0.503 0.000 0.272 519 L C -0.461 176.274 176.870 -0.225 0.000 0.980 519 L CA -0.818 53.899 54.840 -0.205 0.000 0.826 519 L CB 1.408 43.374 42.059 -0.154 0.000 1.268 519 L HN 0.839 nan 8.230 nan 0.000 0.407 520 H N 0.946 120.070 119.070 0.091 0.000 2.776 520 H HA -0.198 4.056 4.556 -0.503 0.000 0.300 520 H C 1.125 176.475 175.328 0.037 0.000 1.161 520 H CA 0.795 56.873 56.048 0.050 0.000 1.147 520 H CB -1.793 27.991 29.762 0.036 0.000 1.366 520 H HN 1.079 nan 8.280 nan 0.000 0.397 521 G N -1.619 107.225 108.800 0.074 0.000 2.143 521 G HA2 -0.280 3.378 3.960 -0.503 0.000 0.249 521 G HA3 -0.280 3.378 3.960 -0.503 0.000 0.249 521 G C 0.219 175.121 174.900 0.003 0.000 0.981 521 G CA 0.353 45.474 45.100 0.035 0.000 0.665 521 G HN 0.789 nan 8.290 nan 0.000 0.528 522 T N 0.381 114.933 114.554 -0.003 0.000 2.841 522 T HA 0.555 4.603 4.350 -0.503 0.000 0.283 522 T C 0.102 174.603 174.700 -0.330 0.000 1.000 522 T CA -0.243 61.737 62.100 -0.201 0.000 0.977 522 T CB 1.765 70.441 68.868 -0.320 0.000 0.979 522 T HN 0.685 nan 8.240 nan 0.000 0.446 523 K N 2.589 122.788 120.400 -0.335 0.000 2.276 523 K HA 0.581 4.599 4.320 -0.503 0.000 0.283 523 K C -1.340 175.034 176.600 -0.377 0.000 1.044 523 K CA -0.284 55.859 56.287 -0.240 0.000 0.944 523 K CB 0.472 32.874 32.500 -0.163 0.000 1.012 523 K HN 0.393 nan 8.250 nan 0.000 0.472 524 F N 1.946 121.974 119.950 0.131 0.000 2.577 524 F HA 0.442 4.668 4.527 -0.502 0.000 0.318 524 F C -0.659 175.275 175.800 0.224 0.000 1.065 524 F CA -0.885 57.236 58.000 0.200 0.000 0.929 524 F CB 1.310 40.446 39.000 0.227 0.000 1.237 524 F HN 0.492 nan 8.300 nan 0.000 0.468 525 W N 2.141 123.651 121.300 0.350 0.000 2.449 525 W HA 0.523 4.881 4.660 -0.504 0.000 0.331 525 W C -0.811 175.978 176.519 0.449 0.000 1.119 525 W CA -0.525 57.005 57.345 0.307 0.000 1.240 525 W CB 0.846 30.404 29.460 0.162 0.000 1.251 525 W HN 0.393 nan 8.180 nan 0.000 0.576 526 Y N -0.276 120.390 120.300 0.609 0.000 2.615 526 Y HA 0.690 4.938 4.550 -0.503 0.000 0.341 526 Y C -0.965 175.159 175.900 0.373 0.000 1.089 526 Y CA -1.811 56.630 58.100 0.569 0.000 1.049 526 Y CB 1.172 40.086 38.460 0.756 0.000 1.296 526 Y HN 0.568 nan 8.280 nan 0.000 0.470 527 Q N 2.167 122.198 119.800 0.385 0.000 2.423 527 Q HA 0.776 4.814 4.340 -0.503 0.000 0.278 527 Q C -1.746 174.361 176.000 0.178 0.000 1.097 527 Q CA -1.186 54.716 55.803 0.166 0.000 0.809 527 Q CB 3.385 32.197 28.738 0.124 0.000 1.391 527 Q HN 0.856 nan 8.270 nan 0.000 0.428 528 M N 2.174 121.802 119.600 0.048 0.000 2.386 528 M HA 0.453 4.632 4.480 -0.503 0.000 0.293 528 M C -1.352 174.879 176.300 -0.116 0.000 1.120 528 M CA -0.909 54.364 55.300 -0.045 0.000 0.909 528 M CB 2.332 34.868 32.600 -0.107 0.000 1.661 528 M HN 0.604 nan 8.290 nan 0.000 0.452 529 I N 4.959 125.455 120.570 -0.123 0.000 2.297 529 I HA 0.391 4.259 4.170 -0.503 0.000 0.291 529 I C -0.507 175.467 176.117 -0.238 0.000 1.033 529 I CA -0.327 60.882 61.300 -0.153 0.000 1.253 529 I CB 0.508 38.440 38.000 -0.114 0.000 1.396 529 I HN 0.629 nan 8.210 nan 0.000 0.476 530 L N 8.223 129.250 121.223 -0.327 0.000 2.309 530 L HA 0.461 4.499 4.340 -0.503 0.000 0.282 530 L C -2.202 174.490 176.870 -0.297 0.000 1.036 530 L CA -1.855 52.687 54.840 -0.497 0.000 0.806 530 L CB 1.167 42.702 42.059 -0.874 0.000 1.220 530 L HN 0.254 nan 8.230 nan 0.000 0.429 531 P HA 0.055 nan 4.420 nan 0.000 0.267 531 P C -2.458 174.867 177.300 0.042 0.000 1.201 531 P CA -0.702 62.386 63.100 -0.021 0.000 0.775 531 P CB -0.141 31.623 31.700 0.107 0.000 0.854 532 P HA 0.044 nan 4.420 nan 0.000 0.270 532 P C -0.557 176.835 177.300 0.153 0.000 1.223 532 P CA 0.256 63.375 63.100 0.032 0.000 0.785 532 P CB -0.161 31.582 31.700 0.073 0.000 0.923 533 H N -2.399 116.725 119.070 0.089 0.000 2.741 533 H HA -0.219 4.035 4.556 -0.503 0.000 0.305 533 H C -0.179 175.228 175.328 0.132 0.000 1.169 533 H CA 0.001 56.103 56.048 0.090 0.000 1.144 533 H CB -2.600 27.205 29.762 0.072 0.000 1.397 533 H HN 0.278 nan 8.280 nan 0.000 0.409 534 F N 2.319 122.278 119.950 0.015 0.000 2.569 534 F HA 0.060 4.286 4.527 -0.503 0.000 0.395 534 F C 0.190 176.014 175.800 0.041 0.000 1.028 534 F CA -0.497 57.480 58.000 -0.039 0.000 1.158 534 F CB 0.260 39.125 39.000 -0.225 0.000 1.023 534 F HN 0.146 nan 8.300 nan 0.000 0.547 535 D N 6.159 126.308 120.400 -0.418 0.000 2.467 535 D HA 0.142 4.480 4.640 -0.503 0.000 0.220 535 D C 0.803 176.765 176.300 -0.563 0.000 1.103 535 D CA -0.447 53.353 54.000 -0.333 0.000 0.886 535 D CB 0.981 41.720 40.800 -0.102 0.000 1.025 535 D HN 0.397 nan 8.370 nan 0.000 0.514 536 K N 0.064 120.123 120.400 -0.569 0.000 2.366 536 K HA -0.248 3.770 4.320 -0.503 0.000 0.202 536 K C 1.643 178.216 176.600 -0.044 0.000 1.045 536 K CA 1.129 57.229 56.287 -0.311 0.000 0.934 536 K CB -0.450 32.016 32.500 -0.058 0.000 0.746 536 K HN 0.247 nan 8.250 nan 0.000 0.470 537 S N 0.016 115.672 115.700 -0.074 0.000 2.377 537 S HA -0.055 4.113 4.470 -0.503 0.000 0.223 537 S C 0.849 175.438 174.600 -0.019 0.000 1.030 537 S CA 0.015 58.200 58.200 -0.024 0.000 0.970 537 S CB -0.078 63.097 63.200 -0.041 0.000 0.830 537 S HN 0.467 nan 8.310 nan 0.000 0.473 538 K N 1.171 121.536 120.400 -0.059 0.000 2.138 538 K HA 0.173 4.191 4.320 -0.503 0.000 0.251 538 K C -0.935 175.641 176.600 -0.040 0.000 1.015 538 K CA -0.218 55.987 56.287 -0.137 0.000 0.917 538 K CB 0.409 32.693 32.500 -0.361 0.000 1.021 538 K HN 0.081 nan 8.250 nan 0.000 0.485 539 K N 2.987 123.313 120.400 -0.123 0.000 2.334 539 K HA 0.194 4.212 4.320 -0.503 0.000 0.265 539 K C -1.375 175.182 176.600 -0.071 0.000 1.039 539 K CA -0.511 55.779 56.287 0.004 0.000 0.920 539 K CB 0.762 33.244 32.500 -0.030 0.000 1.160 539 K HN 0.350 nan 8.250 nan 0.000 0.451 540 Y N 3.107 123.444 120.300 0.061 0.000 2.376 540 Y HA 0.273 4.520 4.550 -0.504 0.000 0.325 540 Y C -1.877 173.977 175.900 -0.077 0.000 1.199 540 Y CA -2.676 55.438 58.100 0.023 0.000 1.206 540 Y CB 0.377 38.919 38.460 0.136 0.000 1.229 540 Y HN 0.482 nan 8.280 nan 0.000 0.480 541 P HA 0.158 nan 4.420 nan 0.000 0.274 541 P C -1.026 176.169 177.300 -0.175 0.000 1.237 541 P CA -0.201 62.648 63.100 -0.419 0.000 0.793 541 P CB 1.528 32.623 31.700 -1.008 0.000 0.977 542 L N 2.339 123.477 121.223 -0.142 0.000 2.406 542 L HA 0.450 4.488 4.340 -0.503 0.000 0.272 542 L C -1.018 176.027 176.870 0.290 0.000 0.980 542 L CA -1.029 53.866 54.840 0.090 0.000 0.831 542 L CB 1.561 43.675 42.059 0.091 0.000 1.253 542 L HN 0.294 nan 8.230 nan 0.000 0.406 543 L N 5.768 127.182 121.223 0.319 0.000 2.296 543 L HA 0.472 4.510 4.340 -0.503 0.000 0.286 543 L C -0.690 176.410 176.870 0.383 0.000 1.023 543 L CA -0.737 54.350 54.840 0.411 0.000 0.812 543 L CB 1.729 43.981 42.059 0.322 0.000 1.223 543 L HN 0.519 nan 8.230 nan 0.000 0.421 544 I N 4.346 125.193 120.570 0.461 0.000 2.315 544 I HA 0.248 4.116 4.170 -0.503 0.000 0.291 544 I C 0.245 176.597 176.117 0.392 0.000 1.006 544 I CA -0.128 61.426 61.300 0.425 0.000 1.265 544 I CB 1.421 39.717 38.000 0.493 0.000 1.387 544 I HN 0.643 nan 8.210 nan 0.000 0.475 545 E N 5.823 126.221 120.200 0.330 0.000 2.134 545 E HA 0.482 4.530 4.350 -0.503 0.000 0.278 545 E C -1.478 175.190 176.600 0.113 0.000 0.959 545 E CA -0.417 56.092 56.400 0.182 0.000 0.783 545 E CB 1.951 31.821 29.700 0.284 0.000 1.095 545 E HN 0.414 nan 8.360 nan 0.000 0.399 546 V N 6.032 125.943 119.914 -0.005 0.000 2.735 546 V HA 0.349 4.167 4.120 -0.503 0.000 0.310 546 V C -1.083 175.110 176.094 0.164 0.000 1.061 546 V CA -0.299 62.074 62.300 0.120 0.000 0.913 546 V CB 1.679 33.584 31.823 0.137 0.000 1.005 546 V HN 0.946 nan 8.190 nan 0.000 0.428 547 Y N 5.186 125.545 120.300 0.100 0.000 3.127 547 Y HA 0.461 4.710 4.550 -0.502 0.000 0.196 547 Y C 1.636 177.668 175.900 0.222 0.000 0.920 547 Y CA 0.299 58.484 58.100 0.141 0.000 1.664 547 Y CB 0.541 39.067 38.460 0.110 0.000 1.399 547 Y HN 0.900 nan 8.280 nan 0.000 0.435 548 A N 1.241 124.084 122.820 0.039 0.000 2.899 548 A HA -0.205 3.813 4.320 -0.503 0.000 0.257 548 A C 0.651 178.023 177.584 -0.353 0.000 1.335 548 A CA 0.924 52.915 52.037 -0.077 0.000 0.924 548 A CB -2.509 16.594 19.000 0.172 0.000 1.105 548 A HN 0.801 nan 8.150 nan 0.000 0.765 549 G N -0.499 107.805 108.800 -0.827 0.000 2.599 549 G HA2 0.520 4.178 3.960 -0.503 0.000 0.264 549 G HA3 0.520 4.178 3.960 -0.503 0.000 0.264 549 G C -1.958 172.445 174.900 -0.827 0.000 1.200 549 G CA -0.760 43.478 45.100 -1.437 0.000 0.896 549 G HN 0.378 nan 8.290 nan 0.000 0.536 550 P HA 0.001 nan 4.420 nan 0.000 0.263 550 P C 0.660 177.724 177.300 -0.393 0.000 1.195 550 P CA 0.255 62.992 63.100 -0.605 0.000 0.762 550 P CB 0.720 31.643 31.700 -1.294 0.000 0.799 551 C N 2.283 121.435 119.300 -0.247 0.000 4.392 551 C HA -0.156 4.002 4.460 -0.503 0.000 0.280 551 C C 1.134 176.042 174.990 -0.137 0.000 1.381 551 C CA 1.177 60.026 59.018 -0.283 0.000 1.871 551 C CB -2.653 24.774 27.740 -0.523 0.000 1.323 551 C HN 0.816 nan 8.230 nan 0.000 0.772 552 S N 0.046 115.602 115.700 -0.239 0.000 2.593 552 S HA 0.474 4.642 4.470 -0.503 0.000 0.269 552 S C -0.508 174.078 174.600 -0.022 0.000 1.334 552 S CA 0.247 58.238 58.200 -0.347 0.000 1.015 552 S CB 1.504 63.965 63.200 -1.232 0.000 0.912 552 S HN 0.806 nan 8.310 nan 0.000 0.541 553 Q N 0.213 120.115 119.800 0.171 0.000 2.483 553 Q HA 0.326 4.364 4.340 -0.503 0.000 0.245 553 Q C -0.545 175.596 176.000 0.234 0.000 0.902 553 Q CA -0.591 55.355 55.803 0.239 0.000 0.767 553 Q CB 0.824 29.778 28.738 0.360 0.000 1.341 553 Q HN 0.625 nan 8.270 nan 0.000 0.453 554 K N 1.751 122.266 120.400 0.192 0.000 2.353 554 K HA 0.223 4.241 4.320 -0.503 0.000 0.195 554 K C -0.368 176.337 176.600 0.174 0.000 1.031 554 K CA 0.289 56.707 56.287 0.218 0.000 1.079 554 K CB 1.034 33.678 32.500 0.240 0.000 0.857 554 K HN 0.397 nan 8.250 nan 0.000 0.535 555 V N 3.456 123.467 119.914 0.162 0.000 2.334 555 V HA 0.215 4.034 4.120 -0.503 0.000 0.281 555 V C -0.620 175.528 176.094 0.091 0.000 1.016 555 V CA -0.864 61.527 62.300 0.153 0.000 0.832 555 V CB 1.300 33.258 31.823 0.225 0.000 0.999 555 V HN 0.276 nan 8.190 nan 0.000 0.439 556 D N 2.040 122.475 120.400 0.058 0.000 2.677 556 D HA 0.308 4.646 4.640 -0.503 0.000 0.298 556 D C 0.313 176.620 176.300 0.013 0.000 1.250 556 D CA -0.123 53.903 54.000 0.043 0.000 0.888 556 D CB 1.492 42.315 40.800 0.039 0.000 1.397 556 D HN 0.356 nan 8.370 nan 0.000 0.461 557 T N -2.005 112.582 114.554 0.055 0.000 3.273 557 T HA 0.358 4.407 4.350 -0.503 0.000 0.254 557 T C 0.341 175.029 174.700 -0.020 0.000 1.002 557 T CA -0.439 61.688 62.100 0.045 0.000 0.913 557 T CB -0.735 68.198 68.868 0.108 0.000 1.056 557 T HN 0.277 nan 8.240 nan 0.000 0.576 558 V N 2.383 122.188 119.914 -0.182 0.000 2.686 558 V HA 0.356 4.174 4.120 -0.503 0.000 0.295 558 V C 0.071 176.143 176.094 -0.037 0.000 1.055 558 V CA -0.959 61.211 62.300 -0.217 0.000 1.050 558 V CB 0.417 31.975 31.823 -0.442 0.000 0.984 558 V HN 0.600 nan 8.190 nan 0.000 0.482 559 F N 6.295 126.206 119.950 -0.065 0.000 2.420 559 F HA 0.596 4.822 4.527 -0.502 0.000 0.352 559 F C 0.424 176.213 175.800 -0.019 0.000 1.108 559 F CA -0.269 57.709 58.000 -0.036 0.000 1.162 559 F CB 0.290 39.282 39.000 -0.013 0.000 1.118 559 F HN 0.423 nan 8.300 nan 0.000 0.510 560 R N 5.934 125.900 120.500 -0.890 0.000 2.651 560 R HA 0.476 4.514 4.340 -0.503 0.000 0.278 560 R C -1.980 173.881 176.300 -0.731 0.000 1.010 560 R CA -1.229 54.505 56.100 -0.610 0.000 0.896 560 R CB 1.854 31.994 30.300 -0.265 0.000 1.211 560 R HN 0.428 nan 8.270 nan 0.000 0.456 561 L N 2.750 123.719 121.223 -0.423 0.000 2.272 561 L HA 0.372 4.411 4.340 -0.503 0.000 0.284 561 L C 0.026 176.893 176.870 -0.004 0.000 1.045 561 L CA 0.113 54.783 54.840 -0.283 0.000 0.842 561 L CB 0.639 42.683 42.059 -0.025 0.000 1.224 561 L HN 0.816 nan 8.230 nan 0.000 0.430 562 S N 1.555 117.190 115.700 -0.109 0.000 2.810 562 S HA 0.333 4.501 4.470 -0.503 0.000 0.315 562 S C 0.565 174.896 174.600 -0.448 0.000 1.138 562 S CA -0.691 57.399 58.200 -0.183 0.000 0.889 562 S CB 0.769 63.926 63.200 -0.071 0.000 1.236 562 S HN 0.514 nan 8.310 nan 0.000 0.548 563 W N 1.331 122.018 121.300 -1.022 0.000 2.342 563 W HA 0.024 4.386 4.660 -0.497 0.000 0.297 563 W C 2.343 178.775 176.519 -0.145 0.000 1.213 563 W CA 2.076 58.972 57.345 -0.749 0.000 1.251 563 W CB -1.031 28.128 29.460 -0.501 0.000 1.136 563 W HN 0.833 nan 8.180 nan 0.000 0.526 564 A N -0.408 122.372 122.820 -0.065 0.000 1.972 564 A HA -0.200 3.818 4.320 -0.503 0.000 0.219 564 A C 1.943 179.429 177.584 -0.163 0.000 1.169 564 A CA 2.431 54.373 52.037 -0.159 0.000 0.635 564 A CB -1.282 17.717 19.000 -0.002 0.000 0.810 564 A HN 0.301 nan 8.150 nan 0.000 0.446 565 T N -1.188 113.298 114.554 -0.113 0.000 2.746 565 T HA -0.199 3.849 4.350 -0.503 0.000 0.267 565 T C 1.800 176.547 174.700 0.078 0.000 1.039 565 T CA 1.744 63.772 62.100 -0.120 0.000 1.142 565 T CB -0.455 68.206 68.868 -0.346 0.000 0.866 565 T HN 0.714 nan 8.240 nan 0.000 0.444 566 Y N 2.074 122.464 120.300 0.150 0.000 2.163 566 Y HA 0.033 4.281 4.550 -0.504 0.000 0.288 566 Y C 1.924 177.818 175.900 -0.009 0.000 1.136 566 Y CA 0.784 58.994 58.100 0.184 0.000 1.147 566 Y CB -0.795 37.752 38.460 0.144 0.000 0.987 566 Y HN 0.109 nan 8.280 nan 0.000 0.509 567 L N 0.353 121.100 121.223 -0.793 0.000 2.079 567 L HA -0.244 3.795 4.340 -0.503 0.000 0.210 567 L C 2.800 179.420 176.870 -0.417 0.000 1.081 567 L CA 1.423 55.759 54.840 -0.839 0.000 0.752 567 L CB -1.009 40.622 42.059 -0.715 0.000 0.896 567 L HN 0.436 nan 8.230 nan 0.000 0.433 568 A N -1.161 121.507 122.820 -0.253 0.000 1.855 568 A HA -0.164 3.854 4.320 -0.503 0.000 0.213 568 A C 2.515 180.063 177.584 -0.060 0.000 1.195 568 A CA 1.590 53.548 52.037 -0.132 0.000 0.610 568 A CB -0.633 18.289 19.000 -0.129 0.000 0.837 568 A HN 0.325 nan 8.150 nan 0.000 0.444 569 S N -0.996 114.688 115.700 -0.028 0.000 2.356 569 S HA -0.128 4.040 4.470 -0.503 0.000 0.223 569 S C 1.982 176.629 174.600 0.080 0.000 1.032 569 S CA 2.379 60.615 58.200 0.059 0.000 1.005 569 S CB -0.436 62.847 63.200 0.139 0.000 0.867 569 S HN 0.571 nan 8.310 nan 0.000 0.449 570 T N 1.272 115.853 114.554 0.046 0.000 2.983 570 T HA 0.175 4.223 4.350 -0.503 0.000 0.250 570 T C 1.423 176.125 174.700 0.005 0.000 1.037 570 T CA 0.585 62.731 62.100 0.077 0.000 1.142 570 T CB -0.108 68.900 68.868 0.233 0.000 0.876 570 T HN 0.355 nan 8.240 nan 0.000 0.455 571 E N 1.186 121.298 120.200 -0.146 0.000 2.479 571 E HA 0.161 4.209 4.350 -0.503 0.000 0.193 571 E C -0.043 176.553 176.600 -0.008 0.000 1.049 571 E CA -0.060 56.288 56.400 -0.087 0.000 0.870 571 E CB -0.230 29.352 29.700 -0.197 0.000 0.944 571 E HN 0.483 nan 8.360 nan 0.000 0.492 572 N N 0.520 119.231 118.700 0.019 0.000 2.758 572 N HA -0.175 4.263 4.740 -0.503 0.000 0.248 572 N C -0.989 174.630 175.510 0.181 0.000 1.076 572 N CA 0.290 53.425 53.050 0.141 0.000 0.696 572 N CB -1.171 37.424 38.487 0.180 0.000 0.979 572 N HN 0.195 nan 8.380 nan 0.000 0.550 573 I N 0.669 121.273 120.570 0.056 0.000 2.412 573 I HA 0.387 4.255 4.170 -0.503 0.000 0.296 573 I C 0.581 176.701 176.117 0.004 0.000 0.987 573 I CA -0.842 60.493 61.300 0.059 0.000 1.180 573 I CB 1.419 39.450 38.000 0.051 0.000 1.340 573 I HN 0.014 nan 8.210 nan 0.000 0.455 574 I N 6.030 126.610 120.570 0.018 0.000 2.395 574 I HA 0.222 4.090 4.170 -0.503 0.000 0.289 574 I C -0.497 175.617 176.117 -0.004 0.000 1.023 574 I CA -0.469 60.794 61.300 -0.061 0.000 1.350 574 I CB 1.296 39.262 38.000 -0.057 0.000 1.409 574 I HN 0.194 nan 8.210 nan 0.000 0.507 575 V N 6.427 126.324 119.914 -0.030 0.000 2.378 575 V HA 0.629 4.447 4.120 -0.503 0.000 0.288 575 V C 0.169 176.291 176.094 0.047 0.000 1.016 575 V CA -0.468 61.861 62.300 0.047 0.000 0.840 575 V CB 1.288 33.130 31.823 0.033 0.000 0.994 575 V HN 0.836 nan 8.190 nan 0.000 0.431 576 A N 3.886 126.762 122.820 0.094 0.000 2.356 576 A HA 0.956 4.974 4.320 -0.503 0.000 0.323 576 A C -0.195 177.531 177.584 0.236 0.000 1.119 576 A CA -0.500 51.587 52.037 0.083 0.000 0.790 576 A CB 1.777 20.689 19.000 -0.146 0.000 1.273 576 A HN 0.681 nan 8.150 nan 0.000 0.452 577 S N -0.279 115.603 115.700 0.303 0.000 2.569 577 S HA 0.782 4.950 4.470 -0.503 0.000 0.280 577 S C -1.553 173.383 174.600 0.559 0.000 1.111 577 S CA -0.294 58.133 58.200 0.377 0.000 0.887 577 S CB 1.375 64.743 63.200 0.280 0.000 1.095 577 S HN 0.800 nan 8.310 nan 0.000 0.476 578 F N 1.784 121.944 119.950 0.349 0.000 2.574 578 F HA 0.479 4.704 4.527 -0.504 0.000 0.313 578 F C -1.651 174.300 175.800 0.252 0.000 1.130 578 F CA -0.829 57.393 58.000 0.369 0.000 0.936 578 F CB 1.489 40.698 39.000 0.348 0.000 1.219 578 F HN 0.380 nan 8.300 nan 0.000 0.445 579 D N 4.386 124.505 120.400 -0.469 0.000 2.412 579 D HA 0.441 4.779 4.640 -0.503 0.000 0.224 579 D C 0.307 176.063 176.300 -0.907 0.000 1.093 579 D CA 0.161 53.915 54.000 -0.410 0.000 0.850 579 D CB 1.617 42.385 40.800 -0.054 0.000 1.046 579 D HN 0.783 nan 8.370 nan 0.000 0.507 580 G N 1.515 109.820 108.800 -0.825 0.000 2.940 580 G HA2 0.310 3.968 3.960 -0.503 0.000 0.164 580 G HA3 0.310 3.968 3.960 -0.503 0.000 0.164 580 G C 0.058 174.635 174.900 -0.538 0.000 1.326 580 G CA -0.681 43.827 45.100 -0.987 0.000 1.020 580 G HN 0.294 nan 8.290 nan 0.000 0.586 581 R N -0.559 119.709 120.500 -0.386 0.000 2.623 581 R HA 0.377 4.415 4.340 -0.503 0.000 0.271 581 R C 1.217 177.525 176.300 0.013 0.000 1.043 581 R CA 1.362 57.441 56.100 -0.034 0.000 1.083 581 R CB 0.534 30.864 30.300 0.051 0.000 0.974 581 R HN 1.063 nan 8.270 nan 0.000 0.436 582 G N 1.111 109.938 108.800 0.045 0.000 2.241 582 G HA2 -0.335 3.323 3.960 -0.503 0.000 0.244 582 G HA3 -0.335 3.323 3.960 -0.503 0.000 0.244 582 G C 0.169 175.029 174.900 -0.067 0.000 0.998 582 G CA 0.248 45.356 45.100 0.013 0.000 0.621 582 G HN 0.722 nan 8.290 nan 0.000 0.519 583 S N 0.296 115.954 115.700 -0.070 0.000 2.600 583 S HA 0.664 4.832 4.470 -0.503 0.000 0.265 583 S C 0.880 175.426 174.600 -0.091 0.000 1.325 583 S CA 0.463 58.606 58.200 -0.094 0.000 1.002 583 S CB 1.801 64.965 63.200 -0.059 0.000 0.921 583 S HN 1.651 nan 8.310 nan 0.000 0.554 584 G N -0.890 107.828 108.800 -0.138 0.000 2.613 584 G HA2 0.498 4.156 3.960 -0.503 0.000 0.303 584 G HA3 0.498 4.156 3.960 -0.503 0.000 0.303 584 G C -0.910 173.863 174.900 -0.213 0.000 1.312 584 G CA -1.021 43.866 45.100 -0.355 0.000 1.036 584 G HN 0.938 nan 8.290 nan 0.000 0.513 585 Y N -2.396 117.901 120.300 -0.005 0.000 4.798 585 Y HA -0.221 4.027 4.550 -0.504 0.000 0.237 585 Y C 1.462 177.391 175.900 0.048 0.000 1.017 585 Y CA 1.171 59.285 58.100 0.023 0.000 2.010 585 Y CB -2.056 36.436 38.460 0.053 0.000 1.582 585 Y HN 0.525 nan 8.280 nan 0.000 0.621 586 Q N 0.074 119.914 119.800 0.067 0.000 2.110 586 Q HA 0.512 4.550 4.340 -0.503 0.000 0.232 586 Q C 0.902 176.836 176.000 -0.110 0.000 0.810 586 Q CA 0.227 56.094 55.803 0.107 0.000 1.083 586 Q CB 1.567 30.384 28.738 0.132 0.000 1.193 586 Q HN 0.558 nan 8.270 nan 0.000 0.471 587 G N 0.729 109.325 108.800 -0.340 0.000 2.663 587 G HA2 -0.179 3.479 3.960 -0.503 0.000 0.686 587 G HA3 -0.179 3.479 3.960 -0.503 0.000 0.686 587 G C -0.474 174.059 174.900 -0.613 0.000 1.246 587 G CA -0.598 44.022 45.100 -0.800 0.000 0.795 587 G HN 0.126 nan 8.290 nan 0.000 0.627 588 D N 0.021 120.000 120.400 -0.702 0.000 2.219 588 D HA -0.054 4.284 4.640 -0.503 0.000 0.205 588 D C 2.185 178.146 176.300 -0.566 0.000 0.970 588 D CA 1.306 54.809 54.000 -0.827 0.000 0.851 588 D CB 0.055 40.319 40.800 -0.894 0.000 0.943 588 D HN 0.606 nan 8.370 nan 0.000 0.488 589 K N 0.433 120.592 120.400 -0.402 0.000 2.057 589 K HA -0.125 3.893 4.320 -0.503 0.000 0.207 589 K C 1.849 178.365 176.600 -0.141 0.000 1.049 589 K CA 0.827 56.980 56.287 -0.222 0.000 0.931 589 K CB 0.111 32.503 32.500 -0.179 0.000 0.714 589 K HN -0.032 nan 8.250 nan 0.000 0.440 590 I N 1.101 121.584 120.570 -0.145 0.000 2.193 590 I HA -0.222 3.646 4.170 -0.503 0.000 0.240 590 I C 2.501 178.599 176.117 -0.031 0.000 1.084 590 I CA 1.247 62.544 61.300 -0.005 0.000 1.365 590 I CB -0.929 37.106 38.000 0.058 0.000 1.064 590 I HN 0.385 nan 8.210 nan 0.000 0.410 591 M N 0.104 119.606 119.600 -0.164 0.000 2.086 591 M HA -0.234 3.944 4.480 -0.503 0.000 0.261 591 M C 2.038 178.349 176.300 0.020 0.000 1.067 591 M CA 1.889 57.108 55.300 -0.134 0.000 1.116 591 M CB -0.395 32.020 32.600 -0.308 0.000 1.348 591 M HN 0.270 nan 8.290 nan 0.000 0.407 592 H N -0.761 118.176 119.070 -0.222 0.000 2.556 592 H HA 0.148 4.402 4.556 -0.503 0.000 0.268 592 H C 1.823 177.153 175.328 0.004 0.000 0.996 592 H CA 0.072 56.006 56.048 -0.190 0.000 1.157 592 H CB 0.104 29.669 29.762 -0.329 0.000 1.355 592 H HN 0.528 nan 8.280 nan 0.000 0.597 593 A N 1.538 124.453 122.820 0.158 0.000 2.019 593 A HA -0.123 3.895 4.320 -0.503 0.000 0.219 593 A C 2.048 179.822 177.584 0.317 0.000 1.164 593 A CA 1.040 53.206 52.037 0.215 0.000 0.644 593 A CB -0.607 18.500 19.000 0.177 0.000 0.805 593 A HN 0.574 nan 8.150 nan 0.000 0.449 594 I N -3.065 117.647 120.570 0.237 0.000 3.855 594 I HA 0.165 4.033 4.170 -0.503 0.000 0.327 594 I C 0.365 176.534 176.117 0.087 0.000 1.359 594 I CA -0.485 60.893 61.300 0.131 0.000 1.142 594 I CB -0.616 37.430 38.000 0.077 0.000 1.041 594 I HN 0.205 nan 8.210 nan 0.000 0.403 595 N N 2.917 121.720 118.700 0.171 0.000 2.412 595 N HA -0.064 4.374 4.740 -0.503 0.000 0.258 595 N C 0.174 175.676 175.510 -0.013 0.000 1.236 595 N CA 0.216 53.363 53.050 0.161 0.000 0.882 595 N CB 0.343 38.903 38.487 0.121 0.000 1.066 595 N HN 0.395 nan 8.380 nan 0.000 0.465 596 R N 0.387 120.850 120.500 -0.062 0.000 3.946 596 R HA -0.205 3.833 4.340 -0.503 0.000 0.329 596 R C -0.264 175.901 176.300 -0.226 0.000 1.209 596 R CA 1.501 57.503 56.100 -0.163 0.000 0.909 596 R CB -1.495 28.699 30.300 -0.177 0.000 1.355 596 R HN 0.767 nan 8.270 nan 0.000 0.539 597 R N -0.282 120.120 120.500 -0.163 0.000 2.583 597 R HA 0.256 4.294 4.340 -0.503 0.000 0.282 597 R C -0.441 175.821 176.300 -0.064 0.000 1.288 597 R CA -0.694 55.350 56.100 -0.092 0.000 1.415 597 R CB 0.202 30.395 30.300 -0.178 0.000 1.331 597 R HN -0.033 nan 8.270 nan 0.000 0.719 598 L N 0.862 122.028 121.223 -0.095 0.000 2.483 598 L HA 0.224 4.263 4.340 -0.503 0.000 0.276 598 L C 1.276 178.304 176.870 0.264 0.000 1.213 598 L CA 1.472 56.328 54.840 0.025 0.000 0.843 598 L CB 0.470 42.365 42.059 -0.274 0.000 1.107 598 L HN 0.838 nan 8.230 nan 0.000 0.487 599 G N 0.644 109.688 108.800 0.405 0.000 2.176 599 G HA2 -0.309 3.349 3.960 -0.503 0.000 0.253 599 G HA3 -0.309 3.349 3.960 -0.503 0.000 0.253 599 G C 0.553 175.511 174.900 0.098 0.000 0.979 599 G CA 0.609 45.893 45.100 0.307 0.000 0.641 599 G HN 0.796 nan 8.290 nan 0.000 0.530 600 T N -2.499 112.071 114.554 0.028 0.000 3.555 600 T HA 0.454 4.502 4.350 -0.503 0.000 0.201 600 T C 1.757 176.469 174.700 0.019 0.000 0.850 600 T CA 1.113 63.158 62.100 -0.091 0.000 1.646 600 T CB -0.265 68.366 68.868 -0.395 0.000 1.774 600 T HN 0.133 nan 8.240 nan 0.000 0.447 601 F N 3.472 123.467 119.950 0.074 0.000 2.126 601 F HA 0.034 4.260 4.527 -0.502 0.000 0.299 601 F C 2.817 178.649 175.800 0.054 0.000 1.096 601 F CA 1.109 59.135 58.000 0.044 0.000 1.255 601 F CB -0.927 38.077 39.000 0.006 0.000 0.997 601 F HN 0.514 nan 8.300 nan 0.000 0.479 602 E N 0.807 121.148 120.200 0.235 0.000 2.150 602 E HA -0.125 3.923 4.350 -0.503 0.000 0.193 602 E C 2.126 178.829 176.600 0.172 0.000 0.985 602 E CA 1.471 57.974 56.400 0.172 0.000 0.814 602 E CB -1.058 28.735 29.700 0.155 0.000 0.752 602 E HN 0.299 nan 8.360 nan 0.000 0.466 603 V N 1.756 121.760 119.914 0.150 0.000 2.323 603 V HA -0.202 3.617 4.120 -0.503 0.000 0.244 603 V C 2.332 178.488 176.094 0.104 0.000 1.041 603 V CA 2.096 64.450 62.300 0.090 0.000 1.025 603 V CB -0.551 31.280 31.823 0.015 0.000 0.656 603 V HN 0.223 nan 8.190 nan 0.000 0.451 604 E N 0.119 120.402 120.200 0.139 0.000 2.077 604 E HA -0.239 3.810 4.350 -0.503 0.000 0.193 604 E C 1.917 178.605 176.600 0.147 0.000 0.989 604 E CA 1.505 57.994 56.400 0.149 0.000 0.800 604 E CB -0.206 29.620 29.700 0.211 0.000 0.746 604 E HN 0.567 nan 8.360 nan 0.000 0.452 605 D N 0.466 120.976 120.400 0.183 0.000 2.144 605 D HA -0.135 4.203 4.640 -0.503 0.000 0.199 605 D C 2.009 178.386 176.300 0.128 0.000 0.984 605 D CA 0.782 54.892 54.000 0.184 0.000 0.834 605 D CB -0.124 40.818 40.800 0.236 0.000 0.955 605 D HN 0.093 nan 8.370 nan 0.000 0.465 606 Q N 0.101 120.012 119.800 0.185 0.000 2.124 606 Q HA -0.056 3.983 4.340 -0.503 0.000 0.202 606 Q C 2.546 178.611 176.000 0.109 0.000 0.977 606 Q CA 0.577 56.490 55.803 0.182 0.000 0.850 606 Q CB -0.134 28.716 28.738 0.187 0.000 0.901 606 Q HN 0.431 nan 8.270 nan 0.000 0.429 607 I N 0.744 121.385 120.570 0.118 0.000 2.202 607 I HA -0.221 3.647 4.170 -0.503 0.000 0.242 607 I C 2.322 178.419 176.117 -0.035 0.000 1.091 607 I CA 0.936 62.327 61.300 0.151 0.000 1.368 607 I CB -0.176 37.908 38.000 0.140 0.000 1.058 607 I HN 0.113 nan 8.210 nan 0.000 0.410 608 E N 0.946 121.087 120.200 -0.098 0.000 2.072 608 E HA -0.187 3.862 4.350 -0.503 0.000 0.191 608 E C 2.331 178.670 176.600 -0.435 0.000 0.985 608 E CA 1.427 57.702 56.400 -0.209 0.000 0.801 608 E CB -0.184 29.420 29.700 -0.160 0.000 0.750 608 E HN 0.479 nan 8.360 nan 0.000 0.452 609 A N 0.640 123.066 122.820 -0.657 0.000 1.902 609 A HA -0.158 3.860 4.320 -0.503 0.000 0.217 609 A C 2.450 179.231 177.584 -1.338 0.000 1.181 609 A CA 2.087 53.380 52.037 -1.240 0.000 0.623 609 A CB -0.853 17.009 19.000 -1.897 0.000 0.818 609 A HN 0.227 nan 8.150 nan 0.000 0.443 610 T N -0.609 113.538 114.554 -0.679 0.000 2.746 610 T HA -0.124 3.924 4.350 -0.503 0.000 0.267 610 T C 2.050 176.550 174.700 -0.333 0.000 1.039 610 T CA 1.436 63.334 62.100 -0.337 0.000 1.142 610 T CB -0.230 68.638 68.868 -0.000 0.000 0.866 610 T HN 0.479 nan 8.240 nan 0.000 0.444 611 R N 0.782 121.088 120.500 -0.323 0.000 2.105 611 R HA -0.099 3.939 4.340 -0.503 0.000 0.239 611 R C 2.702 178.845 176.300 -0.262 0.000 1.135 611 R CA 1.400 57.348 56.100 -0.253 0.000 0.967 611 R CB -0.148 30.031 30.300 -0.202 0.000 0.861 611 R HN 0.544 nan 8.270 nan 0.000 0.442 612 Q N -0.927 118.645 119.800 -0.379 0.000 2.123 612 Q HA -0.096 3.943 4.340 -0.503 0.000 0.199 612 Q C 1.789 177.660 176.000 -0.215 0.000 0.966 612 Q CA 0.971 56.582 55.803 -0.320 0.000 0.845 612 Q CB 0.023 28.522 28.738 -0.399 0.000 0.907 612 Q HN 0.249 nan 8.270 nan 0.000 0.439 613 F N 1.151 120.938 119.950 -0.271 0.000 2.134 613 F HA -0.171 4.054 4.527 -0.504 0.000 0.299 613 F C 2.673 178.308 175.800 -0.276 0.000 1.097 613 F CA 1.368 59.203 58.000 -0.275 0.000 1.264 613 F CB -1.212 37.657 39.000 -0.217 0.000 1.001 613 F HN 0.065 nan 8.300 nan 0.000 0.479 614 S N -0.541 115.129 115.700 -0.050 0.000 2.595 614 S HA -0.116 4.052 4.470 -0.503 0.000 0.235 614 S C 1.453 175.962 174.600 -0.151 0.000 0.974 614 S CA 0.729 58.859 58.200 -0.117 0.000 0.942 614 S CB -0.571 62.546 63.200 -0.137 0.000 0.766 614 S HN 0.446 nan 8.310 nan 0.000 0.536 615 K N -0.003 120.302 120.400 -0.158 0.000 2.358 615 K HA 0.369 4.387 4.320 -0.503 0.000 0.200 615 K C 1.243 177.731 176.600 -0.186 0.000 1.030 615 K CA -0.063 56.135 56.287 -0.149 0.000 1.097 615 K CB -0.012 32.415 32.500 -0.120 0.000 0.862 615 K HN 0.395 nan 8.250 nan 0.000 0.534 616 M N -0.023 119.398 119.600 -0.299 0.000 2.700 616 M HA -0.032 4.146 4.480 -0.503 0.000 0.249 616 M C 1.199 177.205 176.300 -0.490 0.000 1.082 616 M CA 1.113 56.153 55.300 -0.433 0.000 1.077 616 M CB -0.008 32.160 32.600 -0.720 0.000 1.477 616 M HN 0.508 nan 8.290 nan 0.000 0.529 617 G N 0.904 109.493 108.800 -0.351 0.000 2.320 617 G HA2 -0.333 3.325 3.960 -0.503 0.000 0.242 617 G HA3 -0.333 3.325 3.960 -0.503 0.000 0.242 617 G C 0.534 175.389 174.900 -0.075 0.000 1.033 617 G CA 0.545 45.546 45.100 -0.165 0.000 0.620 617 G HN 0.617 nan 8.290 nan 0.000 0.517 618 F N 0.699 120.710 119.950 0.103 0.000 2.641 618 F HA 0.759 4.983 4.527 -0.504 0.000 0.302 618 F C 0.338 176.266 175.800 0.213 0.000 1.098 618 F CA -1.189 56.913 58.000 0.170 0.000 1.318 618 F CB 0.016 39.166 39.000 0.250 0.000 1.035 618 F HN 0.096 nan 8.300 nan 0.000 0.551 619 V N 1.836 121.734 119.914 -0.026 0.000 2.398 619 V HA 0.180 3.998 4.120 -0.503 0.000 0.286 619 V C -0.553 175.533 176.094 -0.014 0.000 1.026 619 V CA -0.783 61.533 62.300 0.026 0.000 0.868 619 V CB 1.406 33.172 31.823 -0.096 0.000 0.982 619 V HN 0.093 nan 8.190 nan 0.000 0.443 620 D N 4.158 124.553 120.400 -0.009 0.000 2.402 620 D HA 0.030 4.368 4.640 -0.503 0.000 0.235 620 D C 1.247 177.495 176.300 -0.087 0.000 1.226 620 D CA -0.309 53.653 54.000 -0.064 0.000 0.918 620 D CB 0.822 41.562 40.800 -0.101 0.000 1.043 620 D HN 0.726 nan 8.370 nan 0.000 0.506 621 D N 2.769 123.121 120.400 -0.081 0.000 2.351 621 D HA -0.191 4.147 4.640 -0.503 0.000 0.216 621 D C 0.758 177.013 176.300 -0.075 0.000 0.968 621 D CA 0.511 54.457 54.000 -0.089 0.000 0.899 621 D CB 0.210 40.956 40.800 -0.090 0.000 0.907 621 D HN 0.406 nan 8.370 nan 0.000 0.514 622 K N -0.091 120.270 120.400 -0.065 0.000 2.426 622 K HA 0.129 4.148 4.320 -0.503 0.000 0.193 622 K C 0.558 177.146 176.600 -0.021 0.000 1.028 622 K CA 0.097 56.362 56.287 -0.037 0.000 1.047 622 K CB 0.531 33.011 32.500 -0.033 0.000 0.821 622 K HN -0.012 nan 8.250 nan 0.000 0.513 623 R N 1.242 121.693 120.500 -0.082 0.000 2.644 623 R HA 0.347 4.385 4.340 -0.503 0.000 0.271 623 R C -1.056 175.159 176.300 -0.141 0.000 1.687 623 R CA -0.133 55.886 56.100 -0.136 0.000 1.655 623 R CB 0.743 30.775 30.300 -0.447 0.000 1.285 623 R HN -0.014 nan 8.270 nan 0.000 0.643 624 I N 1.304 121.953 120.570 0.132 0.000 2.389 624 I HA 0.574 4.442 4.170 -0.503 0.000 0.288 624 I C -0.011 176.404 176.117 0.495 0.000 0.999 624 I CA -0.772 60.651 61.300 0.205 0.000 1.129 624 I CB 1.909 39.863 38.000 -0.077 0.000 1.288 624 I HN 0.361 nan 8.210 nan 0.000 0.444 625 A N 7.094 130.318 122.820 0.673 0.000 2.387 625 A HA 0.938 4.956 4.320 -0.503 0.000 0.298 625 A C -1.122 176.842 177.584 0.633 0.000 1.165 625 A CA -0.662 51.743 52.037 0.614 0.000 0.814 625 A CB 2.235 21.460 19.000 0.375 0.000 1.357 625 A HN 0.732 nan 8.150 nan 0.000 0.443 626 I N 0.227 121.061 120.570 0.441 0.000 2.752 626 I HA 0.677 4.546 4.170 -0.503 0.000 0.295 626 I C -1.954 174.401 176.117 0.396 0.000 1.219 626 I CA -0.540 60.944 61.300 0.305 0.000 1.030 626 I CB 1.655 39.536 38.000 -0.197 0.000 1.259 626 I HN 0.946 nan 8.210 nan 0.000 0.423 627 W N 7.041 128.464 121.300 0.205 0.000 3.118 627 W HA 0.861 5.216 4.660 -0.508 0.000 0.328 627 W C -1.454 175.207 176.519 0.236 0.000 1.239 627 W CA -0.896 56.581 57.345 0.220 0.000 1.176 627 W CB 1.156 30.798 29.460 0.304 0.000 1.433 627 W HN 0.849 nan 8.180 nan 0.000 0.562 628 G N 0.684 109.411 108.800 -0.122 0.000 2.547 628 G HA2 0.438 4.096 3.960 -0.503 0.000 0.291 628 G HA3 0.438 4.096 3.960 -0.503 0.000 0.291 628 G C -2.827 171.991 174.900 -0.136 0.000 1.471 628 G CA -0.763 44.069 45.100 -0.447 0.000 0.798 628 G HN 0.607 nan 8.290 nan 0.000 0.504 629 W N 1.013 122.119 121.300 -0.325 0.000 2.632 629 W HA 0.618 4.979 4.660 -0.498 0.000 0.328 629 W C 0.764 177.226 176.519 -0.096 0.000 1.044 629 W CA 0.422 57.671 57.345 -0.161 0.000 1.225 629 W CB 1.828 31.182 29.460 -0.176 0.000 1.396 629 W HN 1.189 nan 8.180 nan 0.000 0.499 630 S N 2.433 118.311 115.700 0.295 0.000 4.118 630 S HA -0.421 3.747 4.470 -0.503 0.000 0.624 630 S C 1.075 175.786 174.600 0.185 0.000 1.929 630 S CA 1.665 60.030 58.200 0.275 0.000 4.219 630 S CB -1.800 61.617 63.200 0.361 0.000 0.206 630 S HN 0.721 nan 8.310 nan 0.000 0.525 631 Y N 2.399 122.801 120.300 0.171 0.000 2.207 631 Y HA 0.014 4.263 4.550 -0.501 0.000 0.287 631 Y C 2.348 178.444 175.900 0.327 0.000 1.156 631 Y CA 2.588 60.866 58.100 0.297 0.000 1.182 631 Y CB -1.029 37.705 38.460 0.458 0.000 0.979 631 Y HN 0.521 nan 8.280 nan 0.000 0.521 632 G N -1.057 108.003 108.800 0.434 0.000 2.448 632 G HA2 -0.213 3.445 3.960 -0.503 0.000 0.219 632 G HA3 -0.213 3.445 3.960 -0.503 0.000 0.219 632 G C 1.887 176.870 174.900 0.138 0.000 1.127 632 G CA 0.738 46.002 45.100 0.274 0.000 0.766 632 G HN 0.579 nan 8.290 nan 0.000 0.552 633 G N -0.232 108.638 108.800 0.117 0.000 2.403 633 G HA2 -0.184 3.474 3.960 -0.503 0.000 0.216 633 G HA3 -0.184 3.474 3.960 -0.503 0.000 0.216 633 G C 1.573 176.527 174.900 0.090 0.000 1.154 633 G CA 0.997 46.144 45.100 0.078 0.000 0.784 633 G HN 0.405 nan 8.290 nan 0.000 0.538 634 Y N 1.512 121.757 120.300 -0.091 0.000 2.114 634 Y HA -0.146 4.101 4.550 -0.505 0.000 0.284 634 Y C 2.762 178.613 175.900 -0.081 0.000 1.143 634 Y CA 1.704 59.699 58.100 -0.174 0.000 1.135 634 Y CB -0.534 37.676 38.460 -0.416 0.000 0.980 634 Y HN 0.024 nan 8.280 nan 0.000 0.499 635 V N -0.220 119.622 119.914 -0.120 0.000 2.295 635 V HA -0.341 3.477 4.120 -0.503 0.000 0.246 635 V C 2.346 178.365 176.094 -0.124 0.000 1.049 635 V CA 2.454 64.675 62.300 -0.131 0.000 1.024 635 V CB -1.267 30.640 31.823 0.140 0.000 0.648 635 V HN 0.500 nan 8.190 nan 0.000 0.447 636 T N -0.011 114.521 114.554 -0.037 0.000 2.665 636 T HA -0.215 3.833 4.350 -0.503 0.000 0.268 636 T C 2.125 176.782 174.700 -0.073 0.000 1.035 636 T CA 2.102 64.177 62.100 -0.042 0.000 1.151 636 T CB -0.280 68.638 68.868 0.083 0.000 0.862 636 T HN 0.542 nan 8.240 nan 0.000 0.438 637 S N 0.902 116.593 115.700 -0.015 0.000 2.368 637 S HA 0.003 4.171 4.470 -0.503 0.000 0.224 637 S C 2.132 176.667 174.600 -0.109 0.000 1.029 637 S CA 0.866 59.079 58.200 0.022 0.000 0.988 637 S CB -0.257 63.014 63.200 0.119 0.000 0.838 637 S HN 0.304 nan 8.310 nan 0.000 0.462 638 M N 1.070 120.521 119.600 -0.248 0.000 2.117 638 M HA -0.024 4.154 4.480 -0.503 0.000 0.262 638 M C 2.221 178.381 176.300 -0.235 0.000 1.065 638 M CA 1.067 56.203 55.300 -0.274 0.000 1.114 638 M CB -1.487 30.848 32.600 -0.441 0.000 1.361 638 M HN 0.168 nan 8.290 nan 0.000 0.408 639 V N 0.601 120.370 119.914 -0.242 0.000 2.343 639 V HA -0.247 3.571 4.120 -0.503 0.000 0.247 639 V C 2.512 178.425 176.094 -0.301 0.000 1.051 639 V CA 1.419 63.572 62.300 -0.246 0.000 1.036 639 V CB -0.631 30.979 31.823 -0.356 0.000 0.654 639 V HN 0.405 nan 8.190 nan 0.000 0.451 640 L N 0.315 121.289 121.223 -0.416 0.000 2.201 640 L HA -0.045 3.993 4.340 -0.503 0.000 0.212 640 L C 2.364 178.738 176.870 -0.825 0.000 1.105 640 L CA 1.460 55.963 54.840 -0.562 0.000 0.775 640 L CB -0.795 40.858 42.059 -0.677 0.000 0.913 640 L HN 0.481 nan 8.230 nan 0.000 0.440 641 G N -1.082 107.238 108.800 -0.801 0.000 2.920 641 G HA2 0.065 3.723 3.960 -0.503 0.000 0.208 641 G HA3 0.065 3.723 3.960 -0.503 0.000 0.208 641 G C 1.586 176.343 174.900 -0.238 0.000 1.159 641 G CA 0.548 45.300 45.100 -0.579 0.000 0.784 641 G HN 0.402 nan 8.290 nan 0.000 0.535 642 A N 0.108 122.810 122.820 -0.196 0.000 2.067 642 A HA 0.422 4.441 4.320 -0.503 0.000 0.217 642 A C 2.087 179.636 177.584 -0.060 0.000 1.156 642 A CA 1.339 53.322 52.037 -0.090 0.000 0.683 642 A CB -0.461 18.508 19.000 -0.051 0.000 0.808 642 A HN 1.478 nan 8.150 nan 0.000 0.455 643 G N -0.100 108.651 108.800 -0.082 0.000 2.246 643 G HA2 -0.267 3.391 3.960 -0.503 0.000 0.273 643 G HA3 -0.267 3.391 3.960 -0.503 0.000 0.273 643 G C 0.891 175.786 174.900 -0.008 0.000 1.055 643 G CA 1.206 46.280 45.100 -0.043 0.000 0.851 643 G HN 1.450 nan 8.290 nan 0.000 0.500 644 S N -1.128 114.582 115.700 0.017 0.000 2.496 644 S HA 0.353 4.521 4.470 -0.503 0.000 0.224 644 S C 2.446 177.055 174.600 0.016 0.000 0.996 644 S CA 1.413 59.633 58.200 0.032 0.000 0.927 644 S CB 0.035 63.285 63.200 0.082 0.000 0.774 644 S HN 2.376 nan 8.310 nan 0.000 0.524 645 G N 0.381 109.195 108.800 0.023 0.000 2.189 645 G HA2 -0.320 3.338 3.960 -0.503 0.000 0.267 645 G HA3 -0.320 3.338 3.960 -0.503 0.000 0.267 645 G C 0.817 175.699 174.900 -0.029 0.000 0.975 645 G CA 0.488 45.590 45.100 0.004 0.000 0.644 645 G HN 0.679 nan 8.290 nan 0.000 0.537 646 V N -0.461 119.417 119.914 -0.060 0.000 2.453 646 V HA 0.229 4.048 4.120 -0.503 0.000 0.247 646 V C 1.248 177.100 176.094 -0.403 0.000 1.048 646 V CA 1.577 63.705 62.300 -0.288 0.000 1.049 646 V CB -0.382 31.142 31.823 -0.498 0.000 0.672 646 V HN 0.299 nan 8.190 nan 0.000 0.457 647 F N 0.173 120.145 119.950 0.036 0.000 2.415 647 F HA 0.396 4.622 4.527 -0.501 0.000 0.348 647 F C 1.116 176.967 175.800 0.085 0.000 1.119 647 F CA -0.581 57.467 58.000 0.080 0.000 1.069 647 F CB 1.297 40.347 39.000 0.083 0.000 1.124 647 F HN -0.217 nan 8.300 nan 0.000 0.472 648 K N 1.982 122.541 120.400 0.265 0.000 2.103 648 K HA 0.038 4.056 4.320 -0.503 0.000 0.204 648 K C -0.036 176.699 176.600 0.225 0.000 1.052 648 K CA 1.055 57.466 56.287 0.207 0.000 0.945 648 K CB 0.204 32.828 32.500 0.207 0.000 0.722 648 K HN 0.810 nan 8.250 nan 0.000 0.443 649 c N -3.043 115.732 118.600 0.292 0.000 3.321 649 c HA 0.892 5.160 4.570 -0.503 0.000 0.329 649 c C -0.253 174.063 174.090 0.377 0.000 1.394 649 c CA -0.634 55.882 56.329 0.313 0.000 1.291 649 c CB 1.119 43.751 42.510 0.202 0.000 1.606 649 c HN 0.335 nan 8.230 nan 0.000 0.463 650 G N -0.028 109.051 108.800 0.465 0.000 2.673 650 G HA2 0.724 4.382 3.960 -0.503 0.000 0.292 650 G HA3 0.724 4.382 3.960 -0.503 0.000 0.292 650 G C -1.972 173.170 174.900 0.403 0.000 1.450 650 G CA -0.690 44.657 45.100 0.411 0.000 0.837 650 G HN 1.000 nan 8.290 nan 0.000 0.505 651 I N 0.763 121.528 120.570 0.325 0.000 2.466 651 I HA 0.617 4.485 4.170 -0.503 0.000 0.289 651 I C 0.128 176.370 176.117 0.208 0.000 1.026 651 I CA -0.963 60.411 61.300 0.123 0.000 1.078 651 I CB 2.214 40.270 38.000 0.092 0.000 1.249 651 I HN 0.657 nan 8.210 nan 0.000 0.429 652 A N 6.380 129.227 122.820 0.046 0.000 2.318 652 A HA 0.811 4.829 4.320 -0.503 0.000 0.317 652 A C -0.810 176.705 177.584 -0.115 0.000 1.159 652 A CA -0.523 51.553 52.037 0.064 0.000 0.799 652 A CB 1.328 20.430 19.000 0.170 0.000 1.194 652 A HN 0.440 nan 8.150 nan 0.000 0.479 653 V N 2.020 121.813 119.914 -0.200 0.000 2.409 653 V HA 0.576 4.395 4.120 -0.503 0.000 0.291 653 V C 0.893 176.604 176.094 -0.639 0.000 1.020 653 V CA 0.344 62.312 62.300 -0.554 0.000 0.848 653 V CB 0.847 32.043 31.823 -1.045 0.000 0.990 653 V HN 2.157 nan 8.190 nan 0.000 0.430 654 A N 5.490 127.916 122.820 -0.657 0.000 2.640 654 A HA -0.103 3.916 4.320 -0.503 0.000 0.300 654 A C -1.604 175.801 177.584 -0.299 0.000 1.499 654 A CA 0.540 52.075 52.037 -0.837 0.000 0.759 654 A CB -1.598 17.062 19.000 -0.566 0.000 1.048 654 A HN 0.626 nan 8.150 nan 0.000 0.450 655 P HA 0.401 nan 4.420 nan 0.000 0.277 655 P C 0.170 177.438 177.300 -0.054 0.000 1.240 655 P CA -0.136 62.943 63.100 -0.035 0.000 0.798 655 P CB 1.368 33.081 31.700 0.021 0.000 0.979 656 V N 2.474 122.264 119.914 -0.206 0.000 2.649 656 V HA 0.077 3.896 4.120 -0.503 0.000 0.292 656 V C 1.705 177.610 176.094 -0.315 0.000 1.055 656 V CA 0.942 62.966 62.300 -0.459 0.000 1.023 656 V CB 0.868 32.033 31.823 -1.095 0.000 0.992 656 V HN 0.845 nan 8.190 nan 0.000 0.480 657 S N 2.952 118.499 115.700 -0.255 0.000 2.593 657 S HA 0.289 4.458 4.470 -0.503 0.000 0.235 657 S C 0.321 174.780 174.600 -0.235 0.000 1.059 657 S CA -0.241 57.888 58.200 -0.118 0.000 0.953 657 S CB 0.271 63.455 63.200 -0.027 0.000 0.897 657 S HN 0.652 nan 8.310 nan 0.000 0.507 658 K N -0.367 119.780 120.400 -0.422 0.000 2.588 658 K HA 0.300 4.319 4.320 -0.503 0.000 0.250 658 K C -0.947 175.355 176.600 -0.497 0.000 0.972 658 K CA -0.703 55.288 56.287 -0.494 0.000 0.821 658 K CB 0.685 32.759 32.500 -0.710 0.000 1.249 658 K HN 0.148 nan 8.250 nan 0.000 0.442 659 W N 2.238 123.490 121.300 -0.080 0.000 2.350 659 W HA -0.136 4.227 4.660 -0.494 0.000 0.289 659 W C 1.240 177.905 176.519 0.244 0.000 1.215 659 W CA 0.946 58.329 57.345 0.064 0.000 1.236 659 W CB 0.229 29.663 29.460 -0.042 0.000 1.130 659 W HN 0.752 nan 8.180 nan 0.000 0.541 660 E N -1.067 119.322 120.200 0.315 0.000 2.333 660 E HA -0.201 3.848 4.350 -0.503 0.000 0.198 660 E C 1.336 178.082 176.600 0.243 0.000 1.007 660 E CA 0.864 57.387 56.400 0.205 0.000 0.845 660 E CB -0.273 29.429 29.700 0.003 0.000 0.766 660 E HN 0.381 nan 8.360 nan 0.000 0.507 661 Y N -1.411 118.985 120.300 0.160 0.000 2.523 661 Y HA 0.049 4.308 4.550 -0.485 0.000 0.279 661 Y C 0.759 176.767 175.900 0.180 0.000 1.139 661 Y CA -0.275 57.891 58.100 0.109 0.000 1.296 661 Y CB -0.443 38.023 38.460 0.011 0.000 1.045 661 Y HN 0.023 nan 8.280 nan 0.000 0.538 662 Y N 1.810 122.264 120.300 0.258 0.000 2.408 662 Y HA 0.281 4.526 4.550 -0.508 0.000 0.324 662 Y C 0.357 176.472 175.900 0.359 0.000 1.302 662 Y CA -2.056 56.202 58.100 0.262 0.000 1.384 662 Y CB 0.317 38.950 38.460 0.288 0.000 1.367 662 Y HN 0.185 nan 8.280 nan 0.000 0.525 663 D N -0.798 119.340 120.400 -0.437 0.000 2.357 663 D HA 0.130 4.468 4.640 -0.503 0.000 0.242 663 D C 0.944 177.224 176.300 -0.033 0.000 1.153 663 D CA 0.281 54.091 54.000 -0.317 0.000 0.918 663 D CB 0.940 41.312 40.800 -0.714 0.000 1.181 663 D HN 0.471 nan 8.370 nan 0.000 0.435 664 S N 1.003 116.689 115.700 -0.023 0.000 2.353 664 S HA -0.232 3.936 4.470 -0.503 0.000 0.222 664 S C 1.931 176.561 174.600 0.050 0.000 1.035 664 S CA 1.247 59.486 58.200 0.066 0.000 1.025 664 S CB -1.062 62.181 63.200 0.072 0.000 0.902 664 S HN 0.427 nan 8.310 nan 0.000 0.440 665 V N 0.971 120.852 119.914 -0.055 0.000 2.255 665 V HA -0.195 3.623 4.120 -0.503 0.000 0.247 665 V C 2.334 178.362 176.094 -0.111 0.000 1.051 665 V CA 2.361 64.554 62.300 -0.179 0.000 1.018 665 V CB -1.108 30.445 31.823 -0.450 0.000 0.641 665 V HN 0.617 nan 8.190 nan 0.000 0.445 666 Y N 1.214 121.452 120.300 -0.104 0.000 2.133 666 Y HA -0.218 4.033 4.550 -0.499 0.000 0.287 666 Y C 2.727 178.622 175.900 -0.008 0.000 1.134 666 Y CA 2.290 60.399 58.100 0.015 0.000 1.133 666 Y CB -0.670 37.994 38.460 0.340 0.000 0.987 666 Y HN 0.228 nan 8.280 nan 0.000 0.502 667 T N 0.445 115.248 114.554 0.415 0.000 2.652 667 T HA -0.220 3.828 4.350 -0.503 0.000 0.267 667 T C 1.594 176.277 174.700 -0.030 0.000 1.039 667 T CA 2.008 64.283 62.100 0.293 0.000 1.153 667 T CB -0.344 68.829 68.868 0.509 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.428 668 E N 0.448 120.653 120.200 0.009 0.000 2.204 668 E HA -0.107 3.941 4.350 -0.503 0.000 0.195 668 E C 2.362 178.833 176.600 -0.216 0.000 0.990 668 E CA 0.533 56.919 56.400 -0.025 0.000 0.821 668 E CB -0.121 29.612 29.700 0.056 0.000 0.750 668 E HN 0.302 nan 8.360 nan 0.000 0.477 669 R N -0.017 120.204 120.500 -0.464 0.000 2.103 669 R HA -0.199 3.840 4.340 -0.503 0.000 0.242 669 R C 1.214 176.975 176.300 -0.898 0.000 1.142 669 R CA 1.670 57.305 56.100 -0.774 0.000 0.960 669 R CB -0.018 29.474 30.300 -1.347 0.000 0.858 669 R HN 0.243 nan 8.270 nan 0.000 0.439 670 Y N -2.669 117.313 120.300 -0.531 0.000 2.462 670 Y HA 0.252 4.500 4.550 -0.504 0.000 0.253 670 Y C 1.490 177.170 175.900 -0.367 0.000 1.095 670 Y CA -0.060 57.710 58.100 -0.549 0.000 1.283 670 Y CB 0.545 38.541 38.460 -0.773 0.000 1.138 670 Y HN -0.033 nan 8.280 nan 0.000 0.522 671 M N -0.570 118.890 119.600 -0.233 0.000 2.292 671 M HA 0.384 4.562 4.480 -0.503 0.000 0.286 671 M C 1.083 177.364 176.300 -0.033 0.000 1.002 671 M CA 0.747 55.901 55.300 -0.243 0.000 1.029 671 M CB -0.022 32.225 32.600 -0.588 0.000 1.537 671 M HN 0.331 nan 8.290 nan 0.000 0.543 672 G N 1.924 110.733 108.800 0.014 0.000 2.562 672 G HA2 -0.226 3.432 3.960 -0.503 0.000 0.250 672 G HA3 -0.226 3.432 3.960 -0.503 0.000 0.250 672 G C -0.775 174.258 174.900 0.223 0.000 1.269 672 G CA -0.714 44.441 45.100 0.091 0.000 0.919 672 G HN 0.256 nan 8.290 nan 0.000 0.574 673 L N 2.343 123.672 121.223 0.177 0.000 2.325 673 L HA 0.525 4.563 4.340 -0.503 0.000 0.279 673 L C -1.396 175.486 176.870 0.020 0.000 1.054 673 L CA -1.685 53.218 54.840 0.105 0.000 0.804 673 L CB 1.487 43.566 42.059 0.033 0.000 1.200 673 L HN 0.426 nan 8.230 nan 0.000 0.436 674 P HA 0.078 nan 4.420 nan 0.000 0.228 674 P C -0.593 176.558 177.300 -0.247 0.000 1.748 674 P CA -0.109 62.575 63.100 -0.692 0.000 0.909 674 P CB -0.469 30.551 31.700 -1.133 0.000 1.882 675 T N -3.235 111.265 114.554 -0.089 0.000 2.924 675 T HA 0.456 4.504 4.350 -0.503 0.000 0.291 675 T C -1.986 172.718 174.700 0.007 0.000 1.045 675 T CA -2.400 59.677 62.100 -0.038 0.000 1.015 675 T CB 2.062 70.916 68.868 -0.022 0.000 1.103 675 T HN -0.222 nan 8.240 nan 0.000 0.496 676 P HA -0.091 nan 4.420 nan 0.000 0.218 676 P C 0.840 178.161 177.300 0.035 0.000 1.148 676 P CA 1.222 64.338 63.100 0.028 0.000 0.822 676 P CB 0.150 31.861 31.700 0.019 0.000 0.784 677 E N -0.634 119.580 120.200 0.024 0.000 2.265 677 E HA -0.115 3.933 4.350 -0.503 0.000 0.196 677 E C 1.532 178.152 176.600 0.033 0.000 0.996 677 E CA 1.029 57.443 56.400 0.024 0.000 0.832 677 E CB -0.456 29.252 29.700 0.013 0.000 0.756 677 E HN 0.374 nan 8.360 nan 0.000 0.491 678 D N -0.932 119.495 120.400 0.045 0.000 3.066 678 D HA 0.097 4.436 4.640 -0.503 0.000 0.225 678 D C 0.250 176.609 176.300 0.098 0.000 1.397 678 D CA -0.027 54.008 54.000 0.059 0.000 1.344 678 D CB -0.189 40.645 40.800 0.056 0.000 0.934 678 D HN 0.003 nan 8.370 nan 0.000 0.202 679 N N 0.085 118.877 118.700 0.154 0.000 2.291 679 N HA 0.050 4.488 4.740 -0.503 0.000 0.244 679 N C 1.344 177.074 175.510 0.366 0.000 1.216 679 N CA -0.129 53.067 53.050 0.245 0.000 0.879 679 N CB 0.758 39.391 38.487 0.242 0.000 1.167 679 N HN 0.017 nan 8.380 nan 0.000 0.515 680 L N 1.251 122.608 121.223 0.223 0.000 2.089 680 L HA -0.203 3.835 4.340 -0.503 0.000 0.213 680 L C 1.329 178.333 176.870 0.222 0.000 1.079 680 L CA 1.975 56.920 54.840 0.176 0.000 0.758 680 L CB -0.416 41.674 42.059 0.053 0.000 0.891 680 L HN 0.161 nan 8.230 nan 0.000 0.433 681 D N -1.381 119.139 120.400 0.200 0.000 2.123 681 D HA -0.231 4.107 4.640 -0.503 0.000 0.196 681 D C 2.015 178.342 176.300 0.045 0.000 0.992 681 D CA 1.684 55.749 54.000 0.109 0.000 0.833 681 D CB -0.291 40.558 40.800 0.083 0.000 0.954 681 D HN 0.463 nan 8.370 nan 0.000 0.455 682 Y N -0.917 119.450 120.300 0.113 0.000 2.475 682 Y HA -0.039 4.209 4.550 -0.504 0.000 0.289 682 Y C 1.943 177.904 175.900 0.102 0.000 1.121 682 Y CA 0.300 58.442 58.100 0.070 0.000 1.257 682 Y CB -0.325 38.139 38.460 0.006 0.000 1.026 682 Y HN 0.042 nan 8.280 nan 0.000 0.555 683 Y N -0.350 120.060 120.300 0.182 0.000 2.220 683 Y HA -0.162 4.085 4.550 -0.505 0.000 0.291 683 Y C 2.464 178.430 175.900 0.110 0.000 1.129 683 Y CA 1.329 59.532 58.100 0.171 0.000 1.161 683 Y CB -0.137 38.402 38.460 0.131 0.000 0.997 683 Y HN -0.108 nan 8.280 nan 0.000 0.522 684 R N 0.338 120.974 120.500 0.226 0.000 2.092 684 R HA -0.132 3.906 4.340 -0.503 0.000 0.231 684 R C 1.287 177.618 176.300 0.052 0.000 1.119 684 R CA 1.453 57.614 56.100 0.102 0.000 0.970 684 R CB -0.337 29.996 30.300 0.056 0.000 0.864 684 R HN 0.412 nan 8.270 nan 0.000 0.440 685 N N -0.195 118.514 118.700 0.015 0.000 2.276 685 N HA -0.038 4.400 4.740 -0.503 0.000 0.212 685 N C 0.128 175.656 175.510 0.031 0.000 1.127 685 N CA 0.349 53.389 53.050 -0.016 0.000 0.834 685 N CB 0.678 39.107 38.487 -0.097 0.000 1.014 685 N HN 0.030 nan 8.380 nan 0.000 0.491 686 S N -1.563 114.206 115.700 0.115 0.000 2.593 686 S HA 0.079 4.247 4.470 -0.503 0.000 0.236 686 S C 0.547 175.304 174.600 0.261 0.000 0.991 686 S CA -0.421 57.913 58.200 0.223 0.000 0.963 686 S CB -0.625 62.780 63.200 0.341 0.000 0.865 686 S HN 0.339 nan 8.310 nan 0.000 0.488 687 T N -0.742 113.889 114.554 0.128 0.000 2.904 687 T HA 0.484 4.532 4.350 -0.503 0.000 0.290 687 T C 1.317 176.049 174.700 0.054 0.000 1.018 687 T CA -0.550 61.587 62.100 0.061 0.000 1.075 687 T CB 1.327 70.184 68.868 -0.018 0.000 0.986 687 T HN -0.045 nan 8.240 nan 0.000 0.523 688 V N 2.078 122.013 119.914 0.035 0.000 2.548 688 V HA -0.119 3.699 4.120 -0.503 0.000 0.249 688 V C 2.551 178.621 176.094 -0.040 0.000 1.055 688 V CA 1.484 63.782 62.300 -0.003 0.000 1.065 688 V CB -0.974 30.835 31.823 -0.024 0.000 0.681 688 V HN 0.817 nan 8.190 nan 0.000 0.462 689 M N 1.160 120.719 119.600 -0.068 0.000 2.202 689 M HA -0.154 4.025 4.480 -0.503 0.000 0.262 689 M C 2.346 178.620 176.300 -0.044 0.000 1.063 689 M CA 2.038 57.284 55.300 -0.089 0.000 1.097 689 M CB -1.013 31.546 32.600 -0.068 0.000 1.382 689 M HN 0.523 nan 8.290 nan 0.000 0.413 690 S N -0.240 115.451 115.700 -0.015 0.000 2.469 690 S HA -0.106 4.062 4.470 -0.503 0.000 0.238 690 S C 1.791 176.401 174.600 0.016 0.000 0.998 690 S CA 0.858 59.057 58.200 -0.001 0.000 0.957 690 S CB -0.409 62.793 63.200 0.004 0.000 0.764 690 S HN 0.548 nan 8.310 nan 0.000 0.514 691 R N 0.105 120.630 120.500 0.042 0.000 2.468 691 R HA 0.476 4.514 4.340 -0.503 0.000 0.280 691 R C 2.078 178.492 176.300 0.189 0.000 0.963 691 R CA 0.399 56.554 56.100 0.091 0.000 1.083 691 R CB -0.088 30.269 30.300 0.095 0.000 1.200 691 R HN 0.453 nan 8.270 nan 0.000 0.541 692 A N 1.448 124.317 122.820 0.081 0.000 1.903 692 A HA -0.296 3.722 4.320 -0.503 0.000 0.219 692 A C 1.967 179.640 177.584 0.147 0.000 1.191 692 A CA 1.932 53.984 52.037 0.026 0.000 0.638 692 A CB -0.270 18.679 19.000 -0.086 0.000 0.823 692 A HN 0.237 nan 8.150 nan 0.000 0.451 693 E N 0.350 120.607 120.200 0.096 0.000 2.130 693 E HA -0.192 3.856 4.350 -0.503 0.000 0.196 693 E C 1.673 178.335 176.600 0.104 0.000 0.998 693 E CA 1.871 58.322 56.400 0.085 0.000 0.806 693 E CB -0.538 29.192 29.700 0.050 0.000 0.738 693 E HN 0.808 nan 8.360 nan 0.000 0.459 694 N N -1.254 117.504 118.700 0.096 0.000 2.512 694 N HA -0.087 4.351 4.740 -0.503 0.000 0.183 694 N C 0.782 176.274 175.510 -0.030 0.000 1.073 694 N CA 0.141 53.197 53.050 0.010 0.000 0.911 694 N CB -0.106 38.339 38.487 -0.070 0.000 0.964 694 N HN 0.131 nan 8.380 nan 0.000 0.447 695 F N 1.461 121.371 119.950 -0.067 0.000 2.604 695 F HA 0.029 4.258 4.527 -0.497 0.000 0.298 695 F C 1.836 177.645 175.800 0.015 0.000 1.131 695 F CA 0.674 58.631 58.000 -0.072 0.000 1.457 695 F CB 0.027 38.932 39.000 -0.158 0.000 1.095 695 F HN -0.085 nan 8.300 nan 0.000 0.574 696 K N -0.050 120.455 120.400 0.175 0.000 2.283 696 K HA -0.156 3.862 4.320 -0.503 0.000 0.202 696 K C 1.346 178.010 176.600 0.107 0.000 1.048 696 K CA 1.008 57.380 56.287 0.141 0.000 0.948 696 K CB -0.199 32.364 32.500 0.105 0.000 0.742 696 K HN 0.397 nan 8.250 nan 0.000 0.458 697 Q N 0.418 120.260 119.800 0.070 0.000 2.320 697 Q HA 0.056 4.094 4.340 -0.503 0.000 0.201 697 Q C 0.042 176.081 176.000 0.065 0.000 0.910 697 Q CA -0.132 55.703 55.803 0.053 0.000 0.946 697 Q CB 0.709 29.462 28.738 0.024 0.000 1.062 697 Q HN 0.118 nan 8.270 nan 0.000 0.503 698 V N -3.633 116.335 119.914 0.090 0.000 3.130 698 V HA 0.487 4.305 4.120 -0.503 0.000 0.310 698 V C -1.156 175.075 176.094 0.228 0.000 1.158 698 V CA -1.279 61.097 62.300 0.127 0.000 1.029 698 V CB 2.390 34.246 31.823 0.056 0.000 1.057 698 V HN -0.039 nan 8.190 nan 0.000 0.436 699 E N 1.609 121.970 120.200 0.268 0.000 2.115 699 E HA 0.450 4.499 4.350 -0.503 0.000 0.282 699 E C -1.873 175.089 176.600 0.603 0.000 0.987 699 E CA -0.339 56.283 56.400 0.370 0.000 0.797 699 E CB 1.681 31.509 29.700 0.214 0.000 1.086 699 E HN 0.694 nan 8.360 nan 0.000 0.397 700 Y N 3.578 124.156 120.300 0.462 0.000 2.446 700 Y HA 0.453 4.702 4.550 -0.501 0.000 0.345 700 Y C -1.590 174.431 175.900 0.202 0.000 0.984 700 Y CA -1.155 57.170 58.100 0.376 0.000 1.058 700 Y CB 1.058 39.766 38.460 0.412 0.000 1.220 700 Y HN 0.417 nan 8.280 nan 0.000 0.455 701 L N 8.015 128.962 121.223 -0.460 0.000 2.343 701 L HA 0.486 4.524 4.340 -0.503 0.000 0.278 701 L C -1.779 174.628 176.870 -0.771 0.000 0.996 701 L CA -0.786 53.621 54.840 -0.722 0.000 0.831 701 L CB 1.251 42.559 42.059 -1.251 0.000 1.232 701 L HN 0.688 nan 8.230 nan 0.000 0.413 702 L N 6.427 127.279 121.223 -0.619 0.000 2.287 702 L HA 0.583 4.621 4.340 -0.503 0.000 0.287 702 L C -0.865 175.872 176.870 -0.223 0.000 1.022 702 L CA -0.481 54.069 54.840 -0.482 0.000 0.814 702 L CB 1.605 43.449 42.059 -0.358 0.000 1.217 702 L HN 0.598 nan 8.230 nan 0.000 0.420 703 I N 4.069 124.526 120.570 -0.189 0.000 2.509 703 I HA 0.493 4.361 4.170 -0.503 0.000 0.293 703 I C -0.865 175.243 176.117 -0.015 0.000 1.020 703 I CA -0.746 60.492 61.300 -0.104 0.000 1.088 703 I CB 2.030 39.927 38.000 -0.172 0.000 1.267 703 I HN 0.527 nan 8.210 nan 0.000 0.430 704 H N 2.774 121.892 119.070 0.080 0.000 3.085 704 H HA 0.373 4.642 4.556 -0.478 0.000 0.356 704 H C -0.803 174.743 175.328 0.364 0.000 1.178 704 H CA -0.541 55.612 56.048 0.175 0.000 1.214 704 H CB 2.478 32.322 29.762 0.136 0.000 1.881 704 H HN 0.764 nan 8.280 nan 0.000 0.538 705 G N 1.018 110.155 108.800 0.561 0.000 2.390 705 G HA2 0.229 3.887 3.960 -0.503 0.000 0.270 705 G HA3 0.229 3.887 3.960 -0.503 0.000 0.270 705 G C 1.124 176.253 174.900 0.381 0.000 1.211 705 G CA 0.210 45.576 45.100 0.444 0.000 0.842 705 G HN 0.650 nan 8.290 nan 0.000 0.519 706 T N -0.598 114.011 114.554 0.091 0.000 2.962 706 T HA 0.057 4.105 4.350 -0.503 0.000 0.270 706 T C 1.718 176.349 174.700 -0.115 0.000 1.088 706 T CA 1.277 63.216 62.100 -0.269 0.000 1.127 706 T CB 0.143 68.765 68.868 -0.410 0.000 0.883 706 T HN 0.677 nan 8.240 nan 0.000 0.493 707 A N 1.081 123.932 122.820 0.051 0.000 2.684 707 A HA 0.303 4.321 4.320 -0.503 0.000 0.288 707 A C 0.417 177.979 177.584 -0.037 0.000 1.337 707 A CA -0.506 51.568 52.037 0.061 0.000 0.946 707 A CB -0.329 18.974 19.000 0.505 0.000 1.093 707 A HN 0.389 nan 8.150 nan 0.000 0.543 708 D N 1.505 121.890 120.400 -0.025 0.000 2.346 708 D HA 0.002 4.340 4.640 -0.503 0.000 0.260 708 D C 0.253 176.518 176.300 -0.059 0.000 1.252 708 D CA 0.070 54.158 54.000 0.146 0.000 0.895 708 D CB 0.719 41.764 40.800 0.408 0.000 1.097 708 D HN 0.544 nan 8.370 nan 0.000 0.489 709 D N 2.345 122.774 120.400 0.048 0.000 2.349 709 D HA -0.123 4.215 4.640 -0.503 0.000 0.215 709 D C 0.869 177.095 176.300 -0.124 0.000 1.016 709 D CA -0.075 53.893 54.000 -0.054 0.000 0.870 709 D CB 0.478 41.228 40.800 -0.084 0.000 0.917 709 D HN 0.238 nan 8.370 nan 0.000 0.524 710 N N 0.748 119.458 118.700 0.017 0.000 2.530 710 N HA -0.040 4.398 4.740 -0.503 0.000 0.216 710 N C -0.144 175.254 175.510 -0.186 0.000 1.031 710 N CA 0.420 53.501 53.050 0.052 0.000 1.063 710 N CB 0.569 39.108 38.487 0.087 0.000 1.346 710 N HN -0.119 nan 8.380 nan 0.000 0.515 711 V N 3.134 122.954 119.914 -0.156 0.000 2.304 711 V HA 0.232 4.050 4.120 -0.503 0.000 0.269 711 V C -0.533 175.581 176.094 0.033 0.000 1.036 711 V CA -0.470 61.803 62.300 -0.045 0.000 0.840 711 V CB -0.224 31.617 31.823 0.029 0.000 1.036 711 V HN 0.290 nan 8.190 nan 0.000 0.466 712 H N 3.360 122.393 119.070 -0.062 0.000 2.897 712 H HA -0.002 4.250 4.556 -0.507 0.000 0.347 712 H C 0.768 175.921 175.328 -0.291 0.000 1.068 712 H CA -0.078 55.847 56.048 -0.205 0.000 1.426 712 H CB 0.772 30.324 29.762 -0.349 0.000 1.410 712 H HN 0.637 nan 8.280 nan 0.000 0.597 713 F N 2.046 121.757 119.950 -0.398 0.000 2.192 713 F HA -0.285 4.148 4.527 -0.157 0.000 0.301 713 F C 2.546 178.054 175.800 -0.485 0.000 1.079 713 F CA 1.692 59.255 58.000 -0.728 0.000 1.303 713 F CB -0.195 38.572 39.000 -0.389 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.176 119.810 119.800 -0.276 0.000 2.156 714 Q HA -0.313 3.726 4.340 -0.503 0.000 0.211 714 Q C 2.082 177.815 176.000 -0.445 0.000 0.995 714 Q CA 2.289 57.879 55.803 -0.354 0.000 0.877 714 Q CB -0.335 28.174 28.738 -0.380 0.000 0.920 714 Q HN 0.590 nan 8.270 nan 0.000 0.416 715 Q N -0.316 119.273 119.800 -0.351 0.000 2.061 715 Q HA -0.125 3.913 4.340 -0.503 0.000 0.204 715 Q C 2.258 178.151 176.000 -0.178 0.000 0.984 715 Q CA 1.781 57.505 55.803 -0.132 0.000 0.846 715 Q CB -0.115 28.624 28.738 0.003 0.000 0.902 715 Q HN 0.340 nan 8.270 nan 0.000 0.421 716 S N 0.595 116.079 115.700 -0.360 0.000 2.436 716 S HA 0.002 4.170 4.470 -0.503 0.000 0.228 716 S C 1.996 176.341 174.600 -0.425 0.000 1.014 716 S CA 0.699 58.696 58.200 -0.340 0.000 0.950 716 S CB -0.041 62.956 63.200 -0.338 0.000 0.784 716 S HN 0.453 nan 8.310 nan 0.000 0.504 717 A N 1.332 123.793 122.820 -0.598 0.000 1.930 717 A HA -0.094 3.925 4.320 -0.503 0.000 0.217 717 A C 2.148 179.616 177.584 -0.193 0.000 1.175 717 A CA 1.016 52.819 52.037 -0.391 0.000 0.627 717 A CB -0.378 18.422 19.000 -0.335 0.000 0.815 717 A HN 0.329 nan 8.150 nan 0.000 0.443 718 Q N -0.982 118.716 119.800 -0.170 0.000 2.123 718 Q HA -0.090 3.948 4.340 -0.503 0.000 0.199 718 Q C 2.099 178.063 176.000 -0.060 0.000 0.966 718 Q CA 1.165 56.934 55.803 -0.056 0.000 0.845 718 Q CB -0.514 28.266 28.738 0.070 0.000 0.907 718 Q HN 0.585 nan 8.270 nan 0.000 0.439 719 L N 1.229 122.393 121.223 -0.098 0.000 1.994 719 L HA -0.168 3.871 4.340 -0.503 0.000 0.208 719 L C 2.376 179.111 176.870 -0.225 0.000 1.071 719 L CA 2.463 57.209 54.840 -0.157 0.000 0.745 719 L CB -1.094 40.873 42.059 -0.154 0.000 0.892 719 L HN 0.236 nan 8.230 nan 0.000 0.431 720 S N -0.825 114.767 115.700 -0.180 0.000 2.383 720 S HA -0.312 3.857 4.470 -0.503 0.000 0.229 720 S C 2.137 176.731 174.600 -0.009 0.000 1.030 720 S CA 1.510 59.645 58.200 -0.108 0.000 1.002 720 S CB -0.736 62.559 63.200 0.158 0.000 0.829 720 S HN 0.562 nan 8.310 nan 0.000 0.467 721 K N 1.782 122.170 120.400 -0.020 0.000 2.063 721 K HA -0.012 4.006 4.320 -0.503 0.000 0.208 721 K C 2.281 178.870 176.600 -0.018 0.000 1.048 721 K CA 1.243 57.532 56.287 0.004 0.000 0.928 721 K CB -0.701 31.794 32.500 -0.009 0.000 0.713 721 K HN 0.457 nan 8.250 nan 0.000 0.442 722 A N 0.918 123.698 122.820 -0.068 0.000 1.930 722 A HA -0.090 3.928 4.320 -0.503 0.000 0.217 722 A C 2.080 179.599 177.584 -0.108 0.000 1.175 722 A CA 1.217 53.206 52.037 -0.080 0.000 0.627 722 A CB -0.520 18.417 19.000 -0.105 0.000 0.815 722 A HN 0.321 nan 8.150 nan 0.000 0.443 723 L N -0.745 120.357 121.223 -0.200 0.000 2.056 723 L HA -0.134 3.904 4.340 -0.503 0.000 0.207 723 L C 2.517 179.410 176.870 0.038 0.000 1.078 723 L CA 0.914 55.618 54.840 -0.228 0.000 0.749 723 L CB -0.552 41.087 42.059 -0.701 0.000 0.901 723 L HN 0.232 nan 8.230 nan 0.000 0.433 724 V N -0.132 119.864 119.914 0.137 0.000 2.343 724 V HA -0.299 3.519 4.120 -0.503 0.000 0.247 724 V C 2.064 178.211 176.094 0.088 0.000 1.051 724 V CA 1.915 64.321 62.300 0.177 0.000 1.036 724 V CB -0.508 31.408 31.823 0.155 0.000 0.654 724 V HN 0.432 nan 8.190 nan 0.000 0.451 725 D N 0.425 120.853 120.400 0.047 0.000 2.178 725 D HA -0.095 4.243 4.640 -0.503 0.000 0.201 725 D C 1.968 178.285 176.300 0.028 0.000 0.980 725 D CA 1.546 55.563 54.000 0.029 0.000 0.842 725 D CB -0.178 40.629 40.800 0.012 0.000 0.948 725 D HN 0.484 nan 8.370 nan 0.000 0.472 726 A N -0.502 122.333 122.820 0.026 0.000 2.251 726 A HA 0.424 4.442 4.320 -0.503 0.000 0.209 726 A C 1.674 179.290 177.584 0.054 0.000 1.187 726 A CA 0.917 52.972 52.037 0.030 0.000 0.823 726 A CB -0.123 18.885 19.000 0.014 0.000 0.846 726 A HN 0.219 nan 8.150 nan 0.000 0.486 727 G N -1.087 107.757 108.800 0.073 0.000 2.160 727 G HA2 -0.176 3.482 3.960 -0.503 0.000 0.244 727 G HA3 -0.176 3.482 3.960 -0.503 0.000 0.244 727 G C 0.039 175.012 174.900 0.120 0.000 1.022 727 G CA 0.152 45.304 45.100 0.087 0.000 0.741 727 G HN 0.766 nan 8.290 nan 0.000 0.508 728 V N 0.751 120.761 119.914 0.159 0.000 2.432 728 V HA 0.460 4.278 4.120 -0.503 0.000 0.275 728 V C 0.493 176.808 176.094 0.368 0.000 1.043 728 V CA -0.323 62.111 62.300 0.223 0.000 0.925 728 V CB 1.635 33.560 31.823 0.171 0.000 0.985 728 V HN 0.416 nan 8.190 nan 0.000 0.466 729 D N 4.119 124.696 120.400 0.295 0.000 2.264 729 D HA 0.644 4.982 4.640 -0.503 0.000 0.249 729 D C -0.584 175.975 176.300 0.431 0.000 1.070 729 D CA 0.097 54.247 54.000 0.249 0.000 0.912 729 D CB 0.899 41.773 40.800 0.123 0.000 1.193 729 D HN 0.346 nan 8.370 nan 0.000 0.427 730 F N -0.793 119.240 119.950 0.140 0.000 2.858 730 F HA 0.441 4.659 4.527 -0.515 0.000 0.319 730 F C -1.346 174.518 175.800 0.108 0.000 1.166 730 F CA -1.095 57.016 58.000 0.186 0.000 0.899 730 F CB 0.652 39.807 39.000 0.259 0.000 1.332 730 F HN 0.216 nan 8.300 nan 0.000 0.461 731 Q N 0.244 120.130 119.800 0.143 0.000 2.297 731 Q HA 0.762 4.800 4.340 -0.503 0.000 0.268 731 Q C -1.202 174.786 176.000 -0.020 0.000 1.045 731 Q CA -1.089 54.696 55.803 -0.029 0.000 0.861 731 Q CB 2.494 31.261 28.738 0.049 0.000 1.344 731 Q HN 0.792 nan 8.270 nan 0.000 0.452 732 T N 0.994 115.501 114.554 -0.079 0.000 2.901 732 T HA 0.708 4.756 4.350 -0.503 0.000 0.293 732 T C -1.705 172.903 174.700 -0.154 0.000 1.084 732 T CA -0.587 61.482 62.100 -0.052 0.000 1.008 732 T CB 1.272 70.159 68.868 0.030 0.000 1.170 732 T HN 0.504 nan 8.240 nan 0.000 0.509 733 M N 3.129 122.618 119.600 -0.185 0.000 2.272 733 M HA 0.470 4.648 4.480 -0.503 0.000 0.240 733 M C -2.144 173.962 176.300 -0.324 0.000 0.991 733 M CA -0.642 54.389 55.300 -0.448 0.000 1.008 733 M CB 0.769 33.021 32.600 -0.581 0.000 2.221 733 M HN 0.692 nan 8.290 nan 0.000 0.469 734 W N 3.961 125.082 121.300 -0.298 0.000 2.359 734 W HA 0.762 5.256 4.660 -0.276 0.000 0.344 734 W C -1.852 174.380 176.519 -0.478 0.000 1.170 734 W CA -0.728 56.523 57.345 -0.157 0.000 1.296 734 W CB 0.278 29.697 29.460 -0.068 0.000 1.197 734 W HN 0.597 nan 8.180 nan 0.000 0.618 735 Y N 1.946 122.385 120.300 0.231 0.000 2.376 735 Y HA 0.291 4.541 4.550 -0.500 0.000 0.326 735 Y C 0.368 176.362 175.900 0.157 0.000 0.970 735 Y CA -1.310 56.841 58.100 0.085 0.000 1.248 735 Y CB 1.286 39.759 38.460 0.021 0.000 1.117 735 Y HN 0.429 nan 8.280 nan 0.000 0.476 736 T N 4.716 119.434 114.554 0.272 0.000 2.831 736 T HA -0.016 4.032 4.350 -0.503 0.000 0.291 736 T C 0.191 174.941 174.700 0.085 0.000 0.981 736 T CA 0.636 62.813 62.100 0.130 0.000 1.174 736 T CB -0.115 68.776 68.868 0.038 0.000 0.929 736 T HN 0.686 nan 8.240 nan 0.000 0.532 737 D N 0.894 121.316 120.400 0.037 0.000 3.077 737 D HA -0.126 4.212 4.640 -0.503 0.000 0.217 737 D C 0.310 176.728 176.300 0.198 0.000 1.162 737 D CA 1.138 55.115 54.000 -0.039 0.000 0.943 737 D CB -0.367 40.206 40.800 -0.379 0.000 1.122 737 D HN 0.571 nan 8.370 nan 0.000 0.413 738 E N 0.843 121.173 120.200 0.218 0.000 2.313 738 E HA 0.324 4.372 4.350 -0.503 0.000 0.272 738 E C 0.773 177.544 176.600 0.286 0.000 1.038 738 E CA -0.283 56.265 56.400 0.246 0.000 0.863 738 E CB 1.201 31.034 29.700 0.221 0.000 1.060 738 E HN 0.341 nan 8.360 nan 0.000 0.402 739 D N -0.425 120.155 120.400 0.300 0.000 2.511 739 D HA -0.006 4.332 4.640 -0.503 0.000 0.283 739 D C 1.093 177.611 176.300 0.363 0.000 1.198 739 D CA -0.145 54.057 54.000 0.338 0.000 1.097 739 D CB -0.176 40.846 40.800 0.370 0.000 1.160 739 D HN 0.385 nan 8.370 nan 0.000 0.589 740 H N -1.534 117.705 119.070 0.281 0.000 2.456 740 H HA 0.091 4.342 4.556 -0.509 0.000 0.296 740 H C 1.889 177.441 175.328 0.374 0.000 1.079 740 H CA 2.111 58.339 56.048 0.300 0.000 1.322 740 H CB -0.421 29.500 29.762 0.265 0.000 1.388 740 H HN 0.499 nan 8.280 nan 0.000 0.538 741 G N -0.439 108.500 108.800 0.233 0.000 2.880 741 G HA2 0.025 3.683 3.960 -0.503 0.000 0.209 741 G HA3 0.025 3.683 3.960 -0.503 0.000 0.209 741 G C 0.650 175.725 174.900 0.292 0.000 1.157 741 G CA 0.228 45.402 45.100 0.125 0.000 0.779 741 G HN 0.508 nan 8.290 nan 0.000 0.539 742 I N 0.055 120.808 120.570 0.304 0.000 5.115 742 I HA -0.341 3.527 4.170 -0.503 0.000 0.126 742 I C 1.654 177.882 176.117 0.184 0.000 1.316 742 I CA 0.166 61.590 61.300 0.206 0.000 2.641 742 I CB -1.033 37.045 38.000 0.130 0.000 2.272 742 I HN 0.262 nan 8.210 nan 0.000 0.321 743 A N 1.109 124.017 122.820 0.146 0.000 2.348 743 A HA 0.251 4.270 4.320 -0.503 0.000 0.224 743 A C 1.226 178.847 177.584 0.062 0.000 1.227 743 A CA 0.557 52.647 52.037 0.089 0.000 0.885 743 A CB 0.093 19.114 19.000 0.036 0.000 0.933 743 A HN 0.648 nan 8.150 nan 0.000 0.506 744 S N -0.061 115.688 115.700 0.082 0.000 2.573 744 S HA -0.001 4.168 4.470 -0.503 0.000 0.277 744 S C 0.927 175.568 174.600 0.068 0.000 1.346 744 S CA 0.369 58.611 58.200 0.069 0.000 1.034 744 S CB 0.422 63.671 63.200 0.082 0.000 0.879 744 S HN 0.453 nan 8.310 nan 0.000 0.528 745 N N 1.891 120.619 118.700 0.047 0.000 2.061 745 N HA -0.161 4.277 4.740 -0.503 0.000 0.193 745 N C 1.620 177.183 175.510 0.089 0.000 1.030 745 N CA 2.215 55.298 53.050 0.054 0.000 0.856 745 N CB -0.362 38.141 38.487 0.026 0.000 1.023 745 N HN 0.641 nan 8.380 nan 0.000 0.424 746 M N 0.038 119.680 119.600 0.071 0.000 2.200 746 M HA 0.132 4.310 4.480 -0.503 0.000 0.265 746 M C 2.185 178.537 176.300 0.086 0.000 1.066 746 M CA 1.102 56.449 55.300 0.077 0.000 1.127 746 M CB -1.590 31.049 32.600 0.065 0.000 1.379 746 M HN 0.306 nan 8.290 nan 0.000 0.420 747 A N -0.937 121.911 122.820 0.046 0.000 1.930 747 A HA -0.212 3.806 4.320 -0.503 0.000 0.217 747 A C 2.066 179.594 177.584 -0.094 0.000 1.175 747 A CA 2.108 54.097 52.037 -0.080 0.000 0.627 747 A CB -1.072 17.845 19.000 -0.138 0.000 0.815 747 A HN 0.586 nan 8.150 nan 0.000 0.443 748 H N -0.126 118.917 119.070 -0.046 0.000 2.319 748 H HA -0.144 4.109 4.556 -0.505 0.000 0.299 748 H C 2.096 177.477 175.328 0.088 0.000 1.092 748 H CA 2.359 58.434 56.048 0.045 0.000 1.302 748 H CB -0.223 29.574 29.762 0.059 0.000 1.373 748 H HN 0.571 nan 8.280 nan 0.000 0.497 749 Q N -0.981 118.821 119.800 0.004 0.000 2.124 749 Q HA -0.188 3.850 4.340 -0.503 0.000 0.202 749 Q C 2.216 178.181 176.000 -0.058 0.000 0.977 749 Q CA 1.311 57.071 55.803 -0.072 0.000 0.850 749 Q CB -0.187 28.551 28.738 -0.000 0.000 0.901 749 Q HN 0.642 nan 8.270 nan 0.000 0.429 750 H N 0.804 119.830 119.070 -0.074 0.000 2.326 750 H HA -0.081 4.176 4.556 -0.498 0.000 0.301 750 H C 2.068 177.363 175.328 -0.055 0.000 1.081 750 H CA 1.409 57.441 56.048 -0.025 0.000 1.334 750 H CB -0.067 29.731 29.762 0.061 0.000 1.385 750 H HN 0.276 nan 8.280 nan 0.000 0.504 751 I N 0.150 120.651 120.570 -0.115 0.000 2.226 751 I HA -0.329 3.539 4.170 -0.503 0.000 0.245 751 I C 1.826 177.682 176.117 -0.434 0.000 1.100 751 I CA 1.303 62.454 61.300 -0.248 0.000 1.374 751 I CB -0.282 37.384 38.000 -0.556 0.000 1.057 751 I HN 0.137 nan 8.210 nan 0.000 0.413 752 Y N 1.080 121.146 120.300 -0.389 0.000 2.242 752 Y HA -0.202 4.049 4.550 -0.498 0.000 0.291 752 Y C 2.749 178.425 175.900 -0.374 0.000 1.137 752 Y CA 1.914 59.661 58.100 -0.589 0.000 1.181 752 Y CB -0.944 37.181 38.460 -0.558 0.000 0.989 752 Y HN 0.156 nan 8.280 nan 0.000 0.527 753 T N -1.605 112.847 114.554 -0.170 0.000 2.746 753 T HA -0.242 3.806 4.350 -0.503 0.000 0.267 753 T C 1.583 176.087 174.700 -0.327 0.000 1.039 753 T CA 1.916 63.854 62.100 -0.269 0.000 1.142 753 T CB -0.471 68.231 68.868 -0.277 0.000 0.866 753 T HN 0.424 nan 8.240 nan 0.000 0.444 754 H N 0.800 119.702 119.070 -0.281 0.000 2.353 754 H HA 0.110 4.369 4.556 -0.496 0.000 0.300 754 H C 2.156 177.453 175.328 -0.052 0.000 1.090 754 H CA 1.529 57.503 56.048 -0.124 0.000 1.327 754 H CB -0.231 29.484 29.762 -0.079 0.000 1.383 754 H HN 0.256 nan 8.280 nan 0.000 0.508 755 M N -0.860 118.683 119.600 -0.096 0.000 2.229 755 M HA -0.140 4.038 4.480 -0.503 0.000 0.264 755 M C 2.354 178.768 176.300 0.189 0.000 1.063 755 M CA 1.289 56.540 55.300 -0.081 0.000 1.114 755 M CB 0.095 32.427 32.600 -0.446 0.000 1.387 755 M HN 0.204 nan 8.290 nan 0.000 0.420 756 S N -0.553 115.280 115.700 0.221 0.000 2.356 756 S HA -0.155 4.013 4.470 -0.503 0.000 0.223 756 S C 1.579 176.304 174.600 0.208 0.000 1.032 756 S CA 1.185 59.607 58.200 0.371 0.000 1.005 756 S CB -0.575 62.841 63.200 0.359 0.000 0.867 756 S HN 0.566 nan 8.310 nan 0.000 0.449 757 H N -0.721 118.408 119.070 0.098 0.000 2.319 757 H HA -0.096 4.157 4.556 -0.505 0.000 0.299 757 H C 2.000 177.328 175.328 0.000 0.000 1.092 757 H CA 1.609 57.666 56.048 0.014 0.000 1.302 757 H CB -0.192 29.525 29.762 -0.074 0.000 1.373 757 H HN 0.368 nan 8.280 nan 0.000 0.497 758 F N 1.147 121.074 119.950 -0.039 0.000 2.102 758 F HA -0.206 4.023 4.527 -0.497 0.000 0.298 758 F C 2.180 177.930 175.800 -0.084 0.000 1.105 758 F CA 1.168 59.116 58.000 -0.086 0.000 1.239 758 F CB -0.396 38.534 39.000 -0.117 0.000 0.991 758 F HN 0.027 nan 8.300 nan 0.000 0.474 759 L N 0.166 121.420 121.223 0.052 0.000 2.017 759 L HA -0.260 3.778 4.340 -0.503 0.000 0.208 759 L C 2.455 179.131 176.870 -0.324 0.000 1.073 759 L CA 1.761 56.444 54.840 -0.263 0.000 0.745 759 L CB -0.616 41.337 42.059 -0.177 0.000 0.894 759 L HN 0.129 nan 8.230 nan 0.000 0.432 760 K N -0.306 120.055 120.400 -0.065 0.000 2.147 760 K HA -0.244 3.774 4.320 -0.503 0.000 0.205 760 K C 2.052 178.647 176.600 -0.009 0.000 1.049 760 K CA 1.670 57.975 56.287 0.030 0.000 0.936 760 K CB -0.144 32.425 32.500 0.114 0.000 0.722 760 K HN 0.522 nan 8.250 nan 0.000 0.446 761 Q N 0.602 120.347 119.800 -0.091 0.000 2.123 761 Q HA -0.155 3.883 4.340 -0.503 0.000 0.199 761 Q C 2.368 178.272 176.000 -0.160 0.000 0.966 761 Q CA 1.520 57.254 55.803 -0.115 0.000 0.845 761 Q CB -0.628 28.021 28.738 -0.149 0.000 0.907 761 Q HN 0.344 nan 8.270 nan 0.000 0.439 762 c N 0.308 118.716 118.600 -0.320 0.000 2.425 762 c HA -0.043 4.226 4.570 -0.503 0.000 0.277 762 c C 1.757 175.883 174.090 0.059 0.000 1.280 762 c CA 0.253 56.419 56.329 -0.271 0.000 1.744 762 c CB -1.130 41.076 42.510 -0.506 0.000 1.989 762 c HN 0.622 nan 8.230 nan 0.000 0.491 763 F N 1.764 121.683 119.950 -0.052 0.000 2.692 763 F HA 0.266 4.493 4.527 -0.500 0.000 0.303 763 F C 1.608 177.396 175.800 -0.020 0.000 1.114 763 F CA 0.215 58.204 58.000 -0.019 0.000 1.361 763 F CB -1.340 37.660 39.000 0.000 0.000 1.063 763 F HN 0.191 nan 8.300 nan 0.000 0.550 764 S N 0.969 116.752 115.700 0.138 0.000 3.614 764 S HA -0.206 3.962 4.470 -0.503 0.000 0.360 764 S C 0.031 174.675 174.600 0.073 0.000 1.023 764 S CA 0.177 58.420 58.200 0.071 0.000 1.114 764 S CB -1.949 61.280 63.200 0.049 0.000 0.907 764 S HN 0.253 nan 8.310 nan 0.000 0.470 765 L N 1.951 123.232 121.223 0.097 0.000 2.282 765 L HA 0.492 4.530 4.340 -0.503 0.000 0.288 765 L C -1.175 175.737 176.870 0.071 0.000 1.033 765 L CA -1.877 53.017 54.840 0.089 0.000 0.807 765 L CB 0.813 42.950 42.059 0.130 0.000 1.209 765 L HN 0.070 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 63.130 63.100 0.050 0.000 0.800 766 P CB 0.000 31.720 31.700 0.034 0.000 0.726