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 1orv_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.642 174.600 0.070 0.000 1.055 39 S CA 0.000 58.231 58.200 0.052 0.000 1.107 39 S CB 0.000 63.231 63.200 0.051 0.000 0.593 40 R N 2.077 122.630 120.500 0.088 0.000 2.594 40 R HA 0.524 4.864 4.340 -0.000 0.000 0.272 40 R C 0.216 176.582 176.300 0.109 0.000 1.074 40 R CA -0.150 56.009 56.100 0.098 0.000 1.105 40 R CB 0.429 30.789 30.300 0.101 0.000 1.008 40 R HN 0.362 nan 8.270 nan 0.000 0.472 41 R N 0.110 120.681 120.500 0.118 0.000 2.801 41 R HA 0.099 4.438 4.340 -0.000 0.000 0.273 41 R C 0.380 176.768 176.300 0.146 0.000 1.080 41 R CA 0.149 56.328 56.100 0.131 0.000 1.197 41 R CB 0.230 30.623 30.300 0.155 0.000 1.109 41 R HN 0.686 nan 8.270 nan 0.000 0.535 42 T N -2.562 112.087 114.554 0.158 0.000 2.948 42 T HA 0.216 4.566 4.350 -0.000 0.000 0.285 42 T C -0.833 174.010 174.700 0.239 0.000 1.019 42 T CA -0.725 61.482 62.100 0.179 0.000 1.013 42 T CB 0.788 69.756 68.868 0.167 0.000 1.117 42 T HN 0.472 nan 8.240 nan 0.000 0.533 43 Y N 2.595 122.977 120.300 0.138 0.000 2.452 43 Y HA 0.397 4.947 4.550 -0.001 0.000 0.348 43 Y C 0.887 176.957 175.900 0.283 0.000 0.985 43 Y CA -0.417 57.797 58.100 0.190 0.000 1.214 43 Y CB -0.079 38.447 38.460 0.111 0.000 1.136 43 Y HN 1.020 nan 8.280 nan 0.000 0.523 44 T N 2.594 117.120 114.554 -0.047 0.000 2.881 44 T HA 0.140 4.490 4.350 -0.000 0.000 0.278 44 T C 0.983 175.557 174.700 -0.209 0.000 0.982 44 T CA -0.733 61.384 62.100 0.029 0.000 0.989 44 T CB 1.243 70.106 68.868 -0.009 0.000 1.058 44 T HN 0.700 nan 8.240 nan 0.000 0.529 45 L N 1.155 122.068 121.223 -0.518 0.000 2.083 45 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 45 L C 2.605 179.322 176.870 -0.255 0.000 1.083 45 L CA 2.128 56.549 54.840 -0.697 0.000 0.752 45 L CB -1.460 40.054 42.059 -0.909 0.000 0.899 45 L HN 0.958 nan 8.230 nan 0.000 0.433 46 T N -0.534 113.895 114.554 -0.208 0.000 2.788 46 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 46 T C 1.476 176.089 174.700 -0.146 0.000 1.044 46 T CA 1.407 63.423 62.100 -0.140 0.000 1.139 46 T CB -0.336 68.471 68.868 -0.101 0.000 0.867 46 T HN 0.414 nan 8.240 nan 0.000 0.454 47 D N 0.152 120.430 120.400 -0.203 0.000 2.104 47 D HA -0.098 4.541 4.640 -0.000 0.000 0.194 47 D C 1.751 177.976 176.300 -0.124 0.000 0.994 47 D CA 1.100 54.966 54.000 -0.223 0.000 0.830 47 D CB -0.392 40.154 40.800 -0.423 0.000 0.959 47 D HN 0.417 nan 8.370 nan 0.000 0.452 48 Y N 1.625 121.768 120.300 -0.263 0.000 2.114 48 Y HA -0.135 4.415 4.550 -0.001 0.000 0.284 48 Y C 2.266 178.192 175.900 0.043 0.000 1.143 48 Y CA 1.280 59.407 58.100 0.045 0.000 1.135 48 Y CB -0.640 37.893 38.460 0.122 0.000 0.980 48 Y HN -0.106 nan 8.280 nan 0.000 0.499 49 L N 0.084 121.114 121.223 -0.321 0.000 2.046 49 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 49 L C 2.072 178.839 176.870 -0.171 0.000 1.077 49 L CA 1.801 56.447 54.840 -0.323 0.000 0.747 49 L CB -0.502 41.452 42.059 -0.175 0.000 0.896 49 L HN 0.132 nan 8.230 nan 0.000 0.432 50 K N -0.491 119.834 120.400 -0.125 0.000 2.404 50 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 50 K C 0.454 177.012 176.600 -0.070 0.000 1.023 50 K CA -0.016 56.221 56.287 -0.084 0.000 1.094 50 K CB 0.439 32.891 32.500 -0.080 0.000 0.841 50 K HN 0.053 nan 8.250 nan 0.000 0.523 51 S N 1.196 116.862 115.700 -0.057 0.000 3.550 51 S HA -0.157 4.313 4.470 -0.000 0.000 0.372 51 S C 1.230 175.836 174.600 0.009 0.000 0.966 51 S CA 0.944 59.158 58.200 0.023 0.000 1.229 51 S CB -1.588 61.620 63.200 0.013 0.000 0.917 51 S HN 0.694 nan 8.310 nan 0.000 0.496 52 T N -2.360 112.158 114.554 -0.061 0.000 2.915 52 T HA 0.026 4.376 4.350 -0.000 0.000 0.269 52 T C 0.382 174.892 174.700 -0.316 0.000 1.071 52 T CA 0.792 62.743 62.100 -0.247 0.000 1.132 52 T CB -0.297 68.307 68.868 -0.439 0.000 0.878 52 T HN 0.374 nan 8.240 nan 0.000 0.479 53 F N 2.119 122.160 119.950 0.152 0.000 2.334 53 F HA 0.615 5.141 4.527 -0.001 0.000 0.367 53 F C 0.414 176.317 175.800 0.172 0.000 1.115 53 F CA -1.372 56.737 58.000 0.181 0.000 1.116 53 F CB 0.854 40.020 39.000 0.278 0.000 1.230 53 F HN -0.251 nan 8.300 nan 0.000 0.484 54 R N 1.770 122.417 120.500 0.246 0.000 2.265 54 R HA 0.475 4.815 4.340 -0.000 0.000 0.314 54 R C -0.919 175.506 176.300 0.209 0.000 1.053 54 R CA -0.412 55.802 56.100 0.190 0.000 0.931 54 R CB 0.933 31.291 30.300 0.097 0.000 1.024 54 R HN 0.382 nan 8.270 nan 0.000 0.457 55 V N 5.222 125.283 119.914 0.245 0.000 2.368 55 V HA 0.198 4.318 4.120 -0.000 0.000 0.266 55 V C 0.425 176.655 176.094 0.226 0.000 1.045 55 V CA -0.455 62.006 62.300 0.269 0.000 0.899 55 V CB 0.780 32.823 31.823 0.367 0.000 1.006 55 V HN 0.624 nan 8.190 nan 0.000 0.470 56 K N 4.605 125.075 120.400 0.116 0.000 2.107 56 K HA 0.650 4.970 4.320 -0.000 0.000 0.251 56 K C -0.525 176.090 176.600 0.024 0.000 1.012 56 K CA -0.119 56.124 56.287 -0.074 0.000 0.920 56 K CB 1.002 33.428 32.500 -0.123 0.000 1.033 56 K HN 0.599 nan 8.250 nan 0.000 0.478 57 F N -1.540 118.357 119.950 -0.089 0.000 2.824 57 F HA 0.498 5.025 4.527 -0.000 0.000 0.330 57 F C -1.434 174.028 175.800 -0.564 0.000 1.175 57 F CA -1.376 56.337 58.000 -0.479 0.000 0.974 57 F CB 0.820 39.740 39.000 -0.133 0.000 1.430 57 F HN 0.375 nan 8.300 nan 0.000 0.507 58 Y N 0.737 120.585 120.300 -0.753 0.000 2.344 58 Y HA 0.522 5.072 4.550 -0.000 0.000 0.328 58 Y C -1.191 174.680 175.900 -0.047 0.000 1.067 58 Y CA -0.655 57.244 58.100 -0.334 0.000 1.247 58 Y CB 1.432 39.584 38.460 -0.515 0.000 1.113 58 Y HN 0.765 nan 8.280 nan 0.000 0.465 59 T N 7.229 121.852 114.554 0.115 0.000 2.744 59 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 59 T C -0.813 173.906 174.700 0.031 0.000 0.957 59 T CA -0.409 61.754 62.100 0.105 0.000 1.002 59 T CB 0.377 69.317 68.868 0.121 0.000 0.919 59 T HN 0.518 nan 8.240 nan 0.000 0.468 60 L N 1.336 122.539 121.223 -0.033 0.000 2.371 60 L HA 0.717 5.057 4.340 -0.000 0.000 0.262 60 L C -0.745 176.065 176.870 -0.099 0.000 1.006 60 L CA -1.036 53.729 54.840 -0.125 0.000 0.818 60 L CB 1.657 43.325 42.059 -0.652 0.000 1.354 60 L HN 0.424 nan 8.230 nan 0.000 0.415 61 Q N 1.352 121.156 119.800 0.007 0.000 2.357 61 Q HA 0.361 4.700 4.340 -0.000 0.000 0.266 61 Q C -1.690 174.394 176.000 0.140 0.000 1.021 61 Q CA -0.257 55.601 55.803 0.092 0.000 0.784 61 Q CB 1.433 30.273 28.738 0.170 0.000 1.243 61 Q HN 0.670 nan 8.270 nan 0.000 0.465 62 W N 3.927 125.355 121.300 0.213 0.000 2.251 62 W HA 0.097 4.757 4.660 -0.001 0.000 0.327 62 W C 1.181 177.804 176.519 0.173 0.000 1.361 62 W CA -0.235 57.244 57.345 0.223 0.000 1.234 62 W CB 0.466 30.053 29.460 0.211 0.000 1.212 62 W HN 0.670 nan 8.180 nan 0.000 0.557 63 I N 0.711 121.538 120.570 0.428 0.000 4.147 63 I HA 0.376 4.545 4.170 -0.000 0.000 0.329 63 I C 0.367 176.599 176.117 0.192 0.000 1.424 63 I CA -0.217 61.225 61.300 0.237 0.000 1.127 63 I CB -0.145 37.919 38.000 0.107 0.000 1.128 63 I HN 0.239 nan 8.210 nan 0.000 0.417 64 S N 0.195 116.042 115.700 0.245 0.000 2.694 64 S HA 0.204 4.673 4.470 -0.000 0.000 0.273 64 S C -0.365 174.346 174.600 0.185 0.000 1.180 64 S CA 0.046 58.344 58.200 0.163 0.000 0.864 64 S CB 0.776 64.003 63.200 0.045 0.000 1.198 64 S HN 0.224 nan 8.310 nan 0.000 0.499 65 D N 0.067 120.591 120.400 0.206 0.000 2.363 65 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 65 D C 1.090 177.610 176.300 0.366 0.000 0.994 65 D CA 1.322 55.439 54.000 0.196 0.000 0.890 65 D CB -0.489 40.428 40.800 0.196 0.000 0.906 65 D HN 0.811 nan 8.370 nan 0.000 0.530 66 H N -1.861 117.401 119.070 0.320 0.000 3.297 66 H HA 0.424 4.979 4.556 -0.000 0.000 0.254 66 H C -0.775 174.782 175.328 0.382 0.000 1.192 66 H CA -0.471 55.812 56.048 0.392 0.000 1.058 66 H CB -0.254 29.735 29.762 0.380 0.000 1.777 66 H HN 0.049 nan 8.280 nan 0.000 0.696 67 E N 1.156 121.450 120.200 0.156 0.000 2.293 67 E HA 0.435 4.784 4.350 -0.000 0.000 0.270 67 E C -1.604 175.211 176.600 0.358 0.000 0.879 67 E CA -1.208 55.260 56.400 0.114 0.000 0.756 67 E CB 2.827 32.454 29.700 -0.122 0.000 1.208 67 E HN 0.313 nan 8.360 nan 0.000 0.428 68 Y N -0.118 120.239 120.300 0.095 0.000 2.534 68 Y HA 0.592 5.142 4.550 -0.001 0.000 0.345 68 Y C -1.703 174.212 175.900 0.025 0.000 1.031 68 Y CA -1.341 56.717 58.100 -0.070 0.000 1.022 68 Y CB 0.794 38.859 38.460 -0.658 0.000 1.292 68 Y HN 0.367 nan 8.280 nan 0.000 0.459 69 L N 3.778 125.153 121.223 0.253 0.000 2.357 69 L HA 0.506 4.846 4.340 -0.000 0.000 0.273 69 L C -1.171 175.953 176.870 0.424 0.000 1.080 69 L CA -0.958 54.016 54.840 0.224 0.000 0.803 69 L CB 1.429 43.535 42.059 0.078 0.000 1.174 69 L HN 0.823 nan 8.230 nan 0.000 0.443 70 Y N 2.066 122.514 120.300 0.246 0.000 2.482 70 Y HA 0.322 4.872 4.550 -0.000 0.000 0.334 70 Y C -0.935 175.061 175.900 0.161 0.000 1.091 70 Y CA -1.266 56.918 58.100 0.139 0.000 1.027 70 Y CB 1.615 40.085 38.460 0.017 0.000 1.306 70 Y HN 0.423 nan 8.280 nan 0.000 0.446 71 K N 4.871 124.911 120.400 -0.599 0.000 2.263 71 K HA 0.376 4.695 4.320 -0.000 0.000 0.272 71 K C -1.250 174.894 176.600 -0.761 0.000 1.033 71 K CA -0.467 55.578 56.287 -0.403 0.000 0.884 71 K CB 0.869 33.308 32.500 -0.102 0.000 1.107 71 K HN 0.817 nan 8.250 nan 0.000 0.460 72 Q N 3.535 123.144 119.800 -0.317 0.000 2.292 72 Q HA 0.129 4.468 4.340 -0.000 0.000 0.270 72 Q C -1.161 174.820 176.000 -0.031 0.000 1.024 72 Q CA -0.264 55.455 55.803 -0.141 0.000 0.768 72 Q CB 1.264 30.114 28.738 0.187 0.000 1.250 72 Q HN 0.725 nan 8.270 nan 0.000 0.447 73 E N 3.207 123.381 120.200 -0.043 0.000 2.360 73 E HA -0.353 3.997 4.350 -0.000 0.000 0.238 73 E C -0.582 176.014 176.600 -0.007 0.000 1.186 73 E CA 0.628 57.016 56.400 -0.019 0.000 0.719 73 E CB -1.030 28.675 29.700 0.008 0.000 1.236 73 E HN 0.884 nan 8.360 nan 0.000 0.386 74 N N -1.689 116.997 118.700 -0.025 0.000 2.778 74 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 74 N C -0.683 174.926 175.510 0.165 0.000 1.069 74 N CA 1.616 54.681 53.050 0.025 0.000 0.831 74 N CB -1.330 37.158 38.487 0.001 0.000 1.142 74 N HN 0.455 nan 8.380 nan 0.000 0.573 75 N N 0.317 119.071 118.700 0.089 0.000 2.417 75 N HA 0.557 5.297 4.740 -0.000 0.000 0.300 75 N C -0.092 175.464 175.510 0.078 0.000 1.102 75 N CA -0.448 52.652 53.050 0.084 0.000 0.886 75 N CB 1.513 40.028 38.487 0.046 0.000 1.203 75 N HN 0.077 nan 8.380 nan 0.000 0.496 76 I N 2.569 123.174 120.570 0.058 0.000 2.304 76 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 76 I C -0.474 175.721 176.117 0.129 0.000 1.018 76 I CA -0.427 60.900 61.300 0.044 0.000 1.260 76 I CB 0.430 38.378 38.000 -0.087 0.000 1.390 76 I HN 0.266 nan 8.210 nan 0.000 0.475 77 L N 6.348 127.688 121.223 0.196 0.000 2.334 77 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 77 L C -0.676 176.300 176.870 0.177 0.000 1.018 77 L CA -1.037 53.910 54.840 0.177 0.000 0.811 77 L CB 1.942 44.147 42.059 0.244 0.000 1.271 77 L HN 0.391 nan 8.230 nan 0.000 0.443 78 L N 1.555 122.771 121.223 -0.010 0.000 2.319 78 L HA 0.544 4.884 4.340 -0.000 0.000 0.281 78 L C -1.251 175.469 176.870 -0.250 0.000 1.005 78 L CA 0.146 54.965 54.840 -0.036 0.000 0.828 78 L CB 0.901 42.985 42.059 0.041 0.000 1.227 78 L HN 0.208 nan 8.230 nan 0.000 0.415 79 F N 3.543 123.248 119.950 -0.409 0.000 2.458 79 F HA 0.472 4.999 4.527 -0.001 0.000 0.330 79 F C 0.596 176.159 175.800 -0.394 0.000 1.082 79 F CA -0.526 57.167 58.000 -0.512 0.000 0.995 79 F CB 1.538 39.918 39.000 -1.033 0.000 1.170 79 F HN 0.498 nan 8.300 nan 0.000 0.478 80 N N 2.074 120.763 118.700 -0.019 0.000 2.444 80 N HA 0.439 5.179 4.740 -0.000 0.000 0.262 80 N C -0.671 174.895 175.510 0.093 0.000 0.974 80 N CA -0.203 52.916 53.050 0.115 0.000 0.933 80 N CB 1.553 40.199 38.487 0.265 0.000 1.137 80 N HN 0.771 nan 8.380 nan 0.000 0.498 81 A N 2.557 125.370 122.820 -0.012 0.000 2.507 81 A HA 0.139 4.458 4.320 -0.000 0.000 0.235 81 A C 1.095 178.477 177.584 -0.336 0.000 1.070 81 A CA 0.757 52.609 52.037 -0.309 0.000 0.768 81 A CB -0.077 18.300 19.000 -1.038 0.000 1.011 81 A HN 0.990 nan 8.150 nan 0.000 0.502 82 E N -0.502 119.549 120.200 -0.249 0.000 4.540 82 E HA -0.344 4.005 4.350 -0.000 0.000 0.175 82 E C 0.936 177.502 176.600 -0.057 0.000 1.236 82 E CA 1.994 58.323 56.400 -0.117 0.000 2.396 82 E CB -1.517 28.116 29.700 -0.112 0.000 1.797 82 E HN 0.791 nan 8.360 nan 0.000 0.437 83 Y N -0.005 120.305 120.300 0.016 0.000 2.274 83 Y HA -0.020 4.530 4.550 -0.001 0.000 0.290 83 Y C 2.402 178.309 175.900 0.012 0.000 1.145 83 Y CA 2.280 60.392 58.100 0.020 0.000 1.203 83 Y CB -0.437 38.038 38.460 0.026 0.000 0.984 83 Y HN 0.560 nan 8.280 nan 0.000 0.533 84 G N 0.001 108.902 108.800 0.169 0.000 2.302 84 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.263 84 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.263 84 G C 0.409 175.390 174.900 0.134 0.000 0.995 84 G CA 0.445 45.629 45.100 0.139 0.000 0.622 84 G HN 0.540 nan 8.290 nan 0.000 0.538 85 N N 0.773 119.520 118.700 0.079 0.000 2.444 85 N HA 0.503 5.243 4.740 -0.000 0.000 0.255 85 N C 0.024 175.417 175.510 -0.195 0.000 1.255 85 N CA 0.789 53.814 53.050 -0.042 0.000 0.933 85 N CB 1.370 39.819 38.487 -0.063 0.000 1.143 85 N HN 1.029 nan 8.380 nan 0.000 0.453 86 S N -1.418 114.061 115.700 -0.368 0.000 2.618 86 S HA 0.694 5.164 4.470 -0.000 0.000 0.277 86 S C -0.973 173.387 174.600 -0.400 0.000 1.138 86 S CA -0.898 56.904 58.200 -0.664 0.000 0.844 86 S CB 1.212 63.382 63.200 -1.716 0.000 1.127 86 S HN 0.887 nan 8.310 nan 0.000 0.474 87 S N 0.451 115.952 115.700 -0.330 0.000 2.570 87 S HA 0.665 5.135 4.470 -0.000 0.000 0.286 87 S C -0.590 173.943 174.600 -0.113 0.000 1.099 87 S CA -1.042 57.054 58.200 -0.173 0.000 0.913 87 S CB 0.597 63.733 63.200 -0.106 0.000 1.085 87 S HN 0.771 nan 8.310 nan 0.000 0.480 88 I N 2.825 123.352 120.570 -0.072 0.000 2.505 88 I HA 0.117 4.286 4.170 -0.000 0.000 0.287 88 I C 0.569 176.695 176.117 0.014 0.000 1.104 88 I CA -0.124 61.161 61.300 -0.024 0.000 1.387 88 I CB 0.099 38.073 38.000 -0.043 0.000 1.404 88 I HN 0.779 nan 8.210 nan 0.000 0.528 89 F N 7.494 127.397 119.950 -0.079 0.000 2.317 89 F HA 0.220 4.747 4.527 -0.001 0.000 0.293 89 F C 0.371 176.121 175.800 -0.084 0.000 1.085 89 F CA 0.507 58.465 58.000 -0.071 0.000 1.390 89 F CB 0.506 39.475 39.000 -0.052 0.000 1.077 89 F HN 0.311 nan 8.300 nan 0.000 0.517 90 L N 0.959 122.215 121.223 0.054 0.000 2.562 90 L HA 0.330 4.669 4.340 -0.000 0.000 0.266 90 L C -1.176 175.616 176.870 -0.130 0.000 0.949 90 L CA -0.473 54.308 54.840 -0.098 0.000 0.879 90 L CB 1.697 43.697 42.059 -0.099 0.000 1.278 90 L HN -0.066 nan 8.230 nan 0.000 0.404 91 E N 2.063 122.165 120.200 -0.163 0.000 2.354 91 E HA 0.162 4.512 4.350 -0.000 0.000 0.269 91 E C 0.619 177.110 176.600 -0.180 0.000 1.036 91 E CA -0.033 56.289 56.400 -0.130 0.000 0.876 91 E CB 0.586 30.221 29.700 -0.107 0.000 1.009 91 E HN 0.637 nan 8.360 nan 0.000 0.416 92 N N 1.026 119.689 118.700 -0.061 0.000 2.513 92 N HA -0.161 4.579 4.740 -0.000 0.000 0.187 92 N C 0.678 176.166 175.510 -0.037 0.000 1.056 92 N CA 0.814 53.887 53.050 0.039 0.000 0.907 92 N CB -0.087 38.461 38.487 0.101 0.000 0.954 92 N HN 0.153 nan 8.380 nan 0.000 0.445 93 S N -0.944 114.697 115.700 -0.098 0.000 2.515 93 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 93 S C 1.399 175.901 174.600 -0.164 0.000 0.987 93 S CA 0.936 59.076 58.200 -0.100 0.000 0.936 93 S CB -0.318 62.833 63.200 -0.083 0.000 0.766 93 S HN 0.527 nan 8.310 nan 0.000 0.528 94 T N 1.393 115.770 114.554 -0.296 0.000 2.978 94 T HA 0.116 4.465 4.350 -0.000 0.000 0.262 94 T C 1.203 175.613 174.700 -0.484 0.000 1.063 94 T CA 0.663 62.505 62.100 -0.429 0.000 1.140 94 T CB -0.239 68.243 68.868 -0.643 0.000 0.886 94 T HN 0.329 nan 8.240 nan 0.000 0.470 95 F N 2.306 122.062 119.950 -0.323 0.000 2.163 95 F HA 0.012 4.539 4.527 -0.001 0.000 0.297 95 F C 2.237 177.845 175.800 -0.320 0.000 1.094 95 F CA 0.369 58.139 58.000 -0.383 0.000 1.290 95 F CB -0.674 38.145 39.000 -0.301 0.000 1.017 95 F HN 0.103 nan 8.300 nan 0.000 0.483 96 D N 0.260 120.635 120.400 -0.041 0.000 2.221 96 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 96 D C 1.827 178.049 176.300 -0.130 0.000 0.982 96 D CA 1.235 55.186 54.000 -0.082 0.000 0.857 96 D CB -0.363 40.401 40.800 -0.060 0.000 0.934 96 D HN 0.451 nan 8.370 nan 0.000 0.475 97 E N -0.100 120.009 120.200 -0.153 0.000 2.358 97 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 97 E C 0.475 176.949 176.600 -0.210 0.000 1.010 97 E CA 0.017 56.329 56.400 -0.148 0.000 0.856 97 E CB 0.239 29.869 29.700 -0.116 0.000 0.795 97 E HN 0.259 nan 8.360 nan 0.000 0.504 98 L N 0.809 121.829 121.223 -0.339 0.000 2.331 98 L HA 0.195 4.535 4.340 -0.000 0.000 0.278 98 L C 1.114 177.609 176.870 -0.625 0.000 1.106 98 L CA -0.499 53.980 54.840 -0.602 0.000 0.824 98 L CB 0.881 42.352 42.059 -0.979 0.000 1.142 98 L HN 0.015 nan 8.230 nan 0.000 0.443 99 G N 3.512 112.004 108.800 -0.512 0.000 3.455 99 G HA2 0.292 4.252 3.960 -0.000 0.000 0.250 99 G HA3 0.292 4.252 3.960 -0.000 0.000 0.250 99 G C -0.452 174.357 174.900 -0.152 0.000 1.071 99 G CA 0.185 45.133 45.100 -0.253 0.000 1.812 99 G HN 0.643 nan 8.290 nan 0.000 0.643 100 Y N -3.764 116.457 120.300 -0.131 0.000 2.851 100 Y HA 0.586 5.135 4.550 -0.000 0.000 0.359 100 Y C -0.548 175.293 175.900 -0.098 0.000 1.231 100 Y CA -1.996 56.041 58.100 -0.104 0.000 1.106 100 Y CB 0.265 38.627 38.460 -0.163 0.000 1.409 100 Y HN -0.130 nan 8.280 nan 0.000 0.454 101 S N 1.252 117.112 115.700 0.267 0.000 2.416 101 S HA 0.391 4.860 4.470 -0.000 0.000 0.287 101 S C -0.518 174.222 174.600 0.234 0.000 1.139 101 S CA -0.484 57.796 58.200 0.134 0.000 1.058 101 S CB 0.172 63.408 63.200 0.062 0.000 0.967 101 S HN 0.564 nan 8.310 nan 0.000 0.495 102 T N 4.304 118.937 114.554 0.132 0.000 2.738 102 T HA 0.061 4.411 4.350 -0.000 0.000 0.294 102 T C 1.596 176.286 174.700 -0.017 0.000 0.914 102 T CA -0.464 61.724 62.100 0.146 0.000 1.052 102 T CB 0.053 68.936 68.868 0.025 0.000 0.897 102 T HN 0.670 nan 8.240 nan 0.000 0.522 103 N N 3.044 121.760 118.700 0.026 0.000 2.446 103 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 103 N C -0.156 175.309 175.510 -0.074 0.000 1.054 103 N CA 0.601 53.606 53.050 -0.075 0.000 0.905 103 N CB 0.378 38.788 38.487 -0.129 0.000 0.973 103 N HN 0.545 nan 8.380 nan 0.000 0.448 104 D N -1.402 119.023 120.400 0.042 0.000 2.728 104 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 104 D C -1.713 174.754 176.300 0.279 0.000 1.225 104 D CA -0.469 53.557 54.000 0.042 0.000 0.748 104 D CB 0.704 41.505 40.800 0.001 0.000 1.326 104 D HN 0.118 nan 8.370 nan 0.000 0.426 105 Y N -0.894 119.594 120.300 0.314 0.000 2.581 105 Y HA 0.812 5.362 4.550 -0.001 0.000 0.345 105 Y C -1.102 175.017 175.900 0.364 0.000 1.036 105 Y CA -1.083 57.285 58.100 0.447 0.000 1.042 105 Y CB 1.836 40.637 38.460 0.569 0.000 1.289 105 Y HN 0.155 nan 8.280 nan 0.000 0.471 106 S N 2.024 118.119 115.700 0.658 0.000 2.720 106 S HA 0.571 5.041 4.470 -0.000 0.000 0.278 106 S C -1.412 173.592 174.600 0.674 0.000 1.172 106 S CA -0.562 57.989 58.200 0.585 0.000 1.019 106 S CB 0.499 63.989 63.200 0.483 0.000 1.049 106 S HN 1.423 nan 8.310 nan 0.000 0.483 107 V N 3.877 124.054 119.914 0.438 0.000 2.567 107 V HA 0.808 4.928 4.120 -0.000 0.000 0.289 107 V C 0.451 176.384 176.094 -0.267 0.000 1.049 107 V CA -0.381 62.022 62.300 0.172 0.000 0.969 107 V CB 1.087 32.959 31.823 0.081 0.000 0.995 107 V HN 1.002 nan 8.190 nan 0.000 0.471 108 S N 4.774 119.977 115.700 -0.828 0.000 2.568 108 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 108 S C -1.140 173.160 174.600 -0.500 0.000 1.338 108 S CA -0.281 57.074 58.200 -1.409 0.000 1.045 108 S CB 0.640 62.998 63.200 -1.402 0.000 0.873 108 S HN 0.840 nan 8.310 nan 0.000 0.516 109 P HA -0.107 nan 4.420 nan 0.000 0.225 109 P C 0.442 177.700 177.300 -0.070 0.000 1.148 109 P CA 1.269 64.302 63.100 -0.111 0.000 0.779 109 P CB -0.223 31.448 31.700 -0.048 0.000 0.780 110 D N -1.235 119.112 120.400 -0.087 0.000 2.328 110 D HA -0.008 4.631 4.640 -0.000 0.000 0.221 110 D C 0.618 176.904 176.300 -0.024 0.000 1.072 110 D CA -0.402 53.583 54.000 -0.025 0.000 0.850 110 D CB -0.597 40.217 40.800 0.022 0.000 0.922 110 D HN -0.070 nan 8.370 nan 0.000 0.516 111 R N -0.919 119.555 120.500 -0.043 0.000 3.863 111 R HA -0.228 4.112 4.340 -0.000 0.000 0.313 111 R C 0.869 177.133 176.300 -0.060 0.000 1.202 111 R CA 1.223 57.353 56.100 0.050 0.000 0.852 111 R CB -2.518 27.887 30.300 0.176 0.000 1.292 111 R HN 0.353 nan 8.270 nan 0.000 0.519 112 Q N -1.180 118.490 119.800 -0.217 0.000 2.396 112 Q HA 0.215 4.554 4.340 -0.000 0.000 0.209 112 Q C -0.334 175.103 176.000 -0.939 0.000 0.906 112 Q CA 0.628 56.100 55.803 -0.552 0.000 0.927 112 Q CB 0.525 28.895 28.738 -0.613 0.000 1.069 112 Q HN 0.184 nan 8.270 nan 0.000 0.523 113 F N -0.517 119.315 119.950 -0.196 0.000 2.626 113 F HA 0.527 5.054 4.527 -0.000 0.000 0.311 113 F C -0.703 175.081 175.800 -0.027 0.000 1.088 113 F CA -1.137 56.795 58.000 -0.113 0.000 0.949 113 F CB 1.771 40.737 39.000 -0.057 0.000 1.322 113 F HN -0.230 nan 8.300 nan 0.000 0.461 114 I N 2.461 123.227 120.570 0.327 0.000 2.619 114 I HA 0.487 4.657 4.170 -0.000 0.000 0.292 114 I C -1.913 174.325 176.117 0.202 0.000 1.100 114 I CA -1.014 60.463 61.300 0.295 0.000 1.043 114 I CB 1.663 39.776 38.000 0.188 0.000 1.239 114 I HN 0.437 nan 8.210 nan 0.000 0.420 115 L N 7.816 129.292 121.223 0.421 0.000 2.289 115 L HA 0.480 4.819 4.340 -0.000 0.000 0.285 115 L C -1.183 175.924 176.870 0.395 0.000 1.049 115 L CA 0.223 55.238 54.840 0.292 0.000 0.804 115 L CB 0.899 43.106 42.059 0.247 0.000 1.195 115 L HN 0.347 nan 8.230 nan 0.000 0.428 116 F N 3.500 123.726 119.950 0.461 0.000 2.388 116 F HA 0.342 4.868 4.527 -0.000 0.000 0.358 116 F C 0.518 176.558 175.800 0.399 0.000 1.122 116 F CA -0.810 57.465 58.000 0.459 0.000 1.056 116 F CB 1.293 40.566 39.000 0.455 0.000 1.155 116 F HN 0.449 nan 8.300 nan 0.000 0.461 117 E N 5.211 125.704 120.200 0.488 0.000 2.174 117 E HA 0.316 4.666 4.350 -0.000 0.000 0.282 117 E C -1.499 175.157 176.600 0.093 0.000 0.992 117 E CA -0.484 55.956 56.400 0.066 0.000 0.803 117 E CB 1.107 30.877 29.700 0.117 0.000 1.090 117 E HN 0.593 nan 8.360 nan 0.000 0.396 118 Y N 1.754 121.852 120.300 -0.337 0.000 2.728 118 Y HA 0.411 4.961 4.550 -0.000 0.000 0.330 118 Y C -0.278 175.457 175.900 -0.276 0.000 1.234 118 Y CA -1.579 56.337 58.100 -0.307 0.000 1.070 118 Y CB 0.442 38.517 38.460 -0.641 0.000 1.300 118 Y HN 0.527 nan 8.280 nan 0.000 0.467 119 N N -0.414 118.186 118.700 -0.167 0.000 2.735 119 N HA -0.298 4.441 4.740 -0.000 0.000 0.248 119 N C -0.953 174.477 175.510 -0.133 0.000 1.083 119 N CA 1.022 53.961 53.050 -0.184 0.000 0.703 119 N CB -1.721 36.541 38.487 -0.375 0.000 1.005 119 N HN 0.879 nan 8.380 nan 0.000 0.550 120 Y N 0.099 120.291 120.300 -0.180 0.000 2.717 120 Y HA 0.253 4.803 4.550 -0.000 0.000 0.330 120 Y C 0.084 175.925 175.900 -0.098 0.000 1.217 120 Y CA 0.104 58.109 58.100 -0.158 0.000 1.506 120 Y CB 0.681 39.007 38.460 -0.223 0.000 1.268 120 Y HN -0.016 nan 8.280 nan 0.000 0.561 121 V N 8.076 127.609 119.914 -0.635 0.000 2.488 121 V HA 0.186 4.306 4.120 -0.000 0.000 0.293 121 V C -0.364 175.330 176.094 -0.667 0.000 1.027 121 V CA -1.362 60.658 62.300 -0.467 0.000 0.862 121 V CB 1.333 33.011 31.823 -0.242 0.000 1.008 121 V HN 0.773 nan 8.190 nan 0.000 0.428 122 K N 3.785 123.830 120.400 -0.591 0.000 2.355 122 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 122 K C 0.398 176.826 176.600 -0.287 0.000 1.003 122 K CA 0.198 56.275 56.287 -0.350 0.000 0.957 122 K CB 1.290 33.791 32.500 0.001 0.000 0.939 122 K HN 0.811 nan 8.250 nan 0.000 0.482 123 Q N 2.839 122.441 119.800 -0.329 0.000 2.362 123 Q HA 0.176 4.515 4.340 -0.000 0.000 0.190 123 Q C -0.065 175.652 176.000 -0.472 0.000 0.763 123 Q CA -0.413 54.994 55.803 -0.660 0.000 0.681 123 Q CB 0.138 28.310 28.738 -0.943 0.000 2.020 123 Q HN 0.737 nan 8.270 nan 0.000 0.483 124 W N 0.184 121.463 121.300 -0.036 0.000 1.941 124 W HA 0.407 5.067 4.660 -0.001 0.000 0.629 124 W C 1.823 178.320 176.519 -0.037 0.000 1.517 124 W CA -0.728 56.628 57.345 0.018 0.000 1.502 124 W CB -0.150 29.285 29.460 -0.043 0.000 3.266 124 W HN 0.244 nan 8.180 nan 0.000 0.765 125 R N -0.572 120.012 120.500 0.140 0.000 2.096 125 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 125 R C 1.734 177.871 176.300 -0.271 0.000 1.127 125 R CA 1.720 57.731 56.100 -0.149 0.000 0.968 125 R CB -0.358 29.701 30.300 -0.401 0.000 0.861 125 R HN 0.497 nan 8.270 nan 0.000 0.440 126 H N -1.257 117.876 119.070 0.105 0.000 2.695 126 H HA 0.154 4.710 4.556 -0.001 0.000 0.267 126 H C 0.663 176.075 175.328 0.139 0.000 0.973 126 H CA 0.502 56.634 56.048 0.141 0.000 1.223 126 H CB 0.202 30.025 29.762 0.101 0.000 1.442 126 H HN 0.137 nan 8.280 nan 0.000 0.478 127 S N 1.313 116.995 115.700 -0.029 0.000 2.585 127 S HA 0.380 4.850 4.470 -0.000 0.000 0.273 127 S C -0.308 174.140 174.600 -0.252 0.000 1.339 127 S CA -0.460 57.422 58.200 -0.531 0.000 1.028 127 S CB 0.713 63.060 63.200 -1.421 0.000 0.906 127 S HN 0.452 nan 8.310 nan 0.000 0.528 128 Y N -2.349 117.759 120.300 -0.319 0.000 2.732 128 Y HA 0.641 5.190 4.550 -0.000 0.000 0.342 128 Y C -0.794 175.025 175.900 -0.135 0.000 1.203 128 Y CA -0.895 57.008 58.100 -0.328 0.000 1.092 128 Y CB 0.420 38.621 38.460 -0.432 0.000 1.345 128 Y HN 0.894 nan 8.280 nan 0.000 0.458 129 T N -0.127 114.430 114.554 0.005 0.000 2.942 129 T HA 1.032 5.381 4.350 -0.000 0.000 0.289 129 T C -0.453 174.292 174.700 0.074 0.000 1.044 129 T CA -0.204 61.927 62.100 0.051 0.000 1.023 129 T CB 1.830 70.693 68.868 -0.009 0.000 1.123 129 T HN 1.946 nan 8.240 nan 0.000 0.512 130 A N 0.620 123.453 122.820 0.021 0.000 2.540 130 A HA 0.757 5.077 4.320 -0.000 0.000 0.291 130 A C -0.662 176.665 177.584 -0.428 0.000 1.083 130 A CA -0.966 50.934 52.037 -0.228 0.000 0.650 130 A CB 0.927 19.774 19.000 -0.255 0.000 1.292 130 A HN 0.855 nan 8.150 nan 0.000 0.435 131 S N -0.771 114.448 115.700 -0.802 0.000 2.608 131 S HA 0.811 5.280 4.470 -0.000 0.000 0.291 131 S C -1.527 172.477 174.600 -0.992 0.000 1.146 131 S CA -0.060 57.612 58.200 -0.879 0.000 1.043 131 S CB 0.701 63.051 63.200 -1.417 0.000 1.037 131 S HN 0.451 nan 8.310 nan 0.000 0.520 132 Y N 0.176 120.327 120.300 -0.248 0.000 2.492 132 Y HA 0.436 4.986 4.550 -0.001 0.000 0.346 132 Y C -0.393 175.587 175.900 0.133 0.000 0.997 132 Y CA -0.923 57.171 58.100 -0.009 0.000 1.025 132 Y CB 1.747 40.129 38.460 -0.130 0.000 1.263 132 Y HN 0.485 nan 8.280 nan 0.000 0.454 133 D N 2.524 123.184 120.400 0.434 0.000 2.457 133 D HA 0.550 5.190 4.640 -0.000 0.000 0.240 133 D C -0.877 175.555 176.300 0.220 0.000 1.041 133 D CA -0.307 53.904 54.000 0.353 0.000 0.861 133 D CB 2.338 43.442 40.800 0.506 0.000 1.394 133 D HN 0.403 nan 8.370 nan 0.000 0.473 134 I N 2.106 122.759 120.570 0.137 0.000 2.377 134 I HA 0.244 4.413 4.170 -0.000 0.000 0.293 134 I C -0.892 175.315 176.117 0.151 0.000 0.987 134 I CA -0.956 60.406 61.300 0.102 0.000 1.185 134 I CB 1.354 39.376 38.000 0.035 0.000 1.341 134 I HN 0.222 nan 8.210 nan 0.000 0.455 135 Y N 5.501 125.765 120.300 -0.061 0.000 2.335 135 Y HA 0.285 4.834 4.550 -0.001 0.000 0.338 135 Y C -0.175 175.796 175.900 0.118 0.000 0.977 135 Y CA -0.756 57.320 58.100 -0.040 0.000 1.114 135 Y CB 1.213 39.491 38.460 -0.303 0.000 1.182 135 Y HN 0.481 nan 8.280 nan 0.000 0.463 136 D N 6.379 126.585 120.400 -0.324 0.000 2.352 136 D HA 0.076 4.715 4.640 -0.000 0.000 0.245 136 D C 0.717 176.655 176.300 -0.603 0.000 1.224 136 D CA 0.329 54.123 54.000 -0.343 0.000 0.879 136 D CB 0.900 41.561 40.800 -0.232 0.000 1.057 136 D HN 0.875 nan 8.370 nan 0.000 0.491 137 L N 3.612 124.567 121.223 -0.447 0.000 2.362 137 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 137 L C 2.039 178.705 176.870 -0.340 0.000 1.134 137 L CA 0.360 55.015 54.840 -0.309 0.000 0.807 137 L CB -0.185 41.704 42.059 -0.282 0.000 0.927 137 L HN 0.374 nan 8.230 nan 0.000 0.447 138 N N 1.033 119.497 118.700 -0.393 0.000 2.176 138 N HA -0.114 4.625 4.740 -0.000 0.000 0.187 138 N C 1.532 176.897 175.510 -0.241 0.000 1.043 138 N CA 1.217 54.089 53.050 -0.296 0.000 0.851 138 N CB -0.069 38.240 38.487 -0.297 0.000 1.018 138 N HN 0.426 nan 8.380 nan 0.000 0.436 139 K N 1.293 121.542 120.400 -0.252 0.000 2.458 139 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 139 K C -0.235 176.227 176.600 -0.229 0.000 1.024 139 K CA -0.068 56.102 56.287 -0.195 0.000 1.108 139 K CB 0.200 32.609 32.500 -0.153 0.000 0.846 139 K HN 0.002 nan 8.250 nan 0.000 0.518 140 R N 1.447 121.746 120.500 -0.335 0.000 3.301 140 R HA -0.198 4.142 4.340 -0.000 0.000 0.249 140 R C -0.977 175.075 176.300 -0.414 0.000 0.964 140 R CA 0.890 56.763 56.100 -0.378 0.000 0.653 140 R CB -2.066 28.189 30.300 -0.076 0.000 1.043 140 R HN 0.604 nan 8.270 nan 0.000 0.454 141 Q N 0.137 119.591 119.800 -0.576 0.000 2.387 141 Q HA 0.525 4.865 4.340 -0.000 0.000 0.273 141 Q C -0.334 175.488 176.000 -0.298 0.000 1.089 141 Q CA -1.018 54.614 55.803 -0.284 0.000 0.824 141 Q CB 2.344 30.996 28.738 -0.145 0.000 1.367 141 Q HN 0.174 nan 8.270 nan 0.000 0.443 142 L N 2.764 124.011 121.223 0.040 0.000 2.290 142 L HA 0.361 4.700 4.340 -0.000 0.000 0.284 142 L C -0.481 176.443 176.870 0.090 0.000 1.078 142 L CA -0.458 54.499 54.840 0.194 0.000 0.815 142 L CB 0.577 42.803 42.059 0.279 0.000 1.162 142 L HN 0.552 nan 8.230 nan 0.000 0.435 143 I N 3.691 124.311 120.570 0.083 0.000 2.598 143 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 143 I C 1.275 177.425 176.117 0.054 0.000 1.140 143 I CA 0.310 61.638 61.300 0.047 0.000 1.420 143 I CB 1.054 39.069 38.000 0.024 0.000 1.387 143 I HN 0.679 nan 8.210 nan 0.000 0.553 144 T N 1.191 115.766 114.554 0.035 0.000 3.044 144 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 144 T C 0.304 175.011 174.700 0.012 0.000 1.019 144 T CA -0.435 61.686 62.100 0.034 0.000 0.921 144 T CB -0.056 68.833 68.868 0.035 0.000 1.053 144 T HN 0.671 nan 8.240 nan 0.000 0.533 145 E N 1.073 121.272 120.200 -0.001 0.000 2.227 145 E HA 0.457 4.806 4.350 -0.000 0.000 0.268 145 E C -0.849 175.732 176.600 -0.031 0.000 0.907 145 E CA -1.037 55.354 56.400 -0.014 0.000 0.786 145 E CB 1.073 30.768 29.700 -0.009 0.000 1.191 145 E HN -0.090 nan 8.360 nan 0.000 0.411 146 E N 0.641 120.815 120.200 -0.043 0.000 2.389 146 E HA -0.193 4.156 4.350 -0.000 0.000 0.243 146 E C -0.661 175.885 176.600 -0.090 0.000 1.154 146 E CA 0.652 57.015 56.400 -0.061 0.000 0.723 146 E CB -1.503 28.172 29.700 -0.042 0.000 1.261 146 E HN 0.579 nan 8.360 nan 0.000 0.390 147 R N -0.254 120.188 120.500 -0.096 0.000 2.784 147 R HA 0.324 4.663 4.340 -0.000 0.000 0.266 147 R C 1.184 177.351 176.300 -0.222 0.000 1.044 147 R CA -0.223 55.808 56.100 -0.115 0.000 1.151 147 R CB 0.436 30.694 30.300 -0.071 0.000 1.037 147 R HN 0.124 nan 8.270 nan 0.000 0.478 148 I N 3.080 123.492 120.570 -0.262 0.000 2.588 148 I HA 0.092 4.261 4.170 -0.000 0.000 0.283 148 I C -1.784 174.065 176.117 -0.446 0.000 1.119 148 I CA -1.808 59.199 61.300 -0.487 0.000 1.419 148 I CB 0.562 38.298 38.000 -0.438 0.000 1.394 148 I HN 0.290 nan 8.210 nan 0.000 0.562 149 P HA 0.074 nan 4.420 nan 0.000 0.270 149 P C -0.793 176.299 177.300 -0.347 0.000 1.223 149 P CA -0.285 62.432 63.100 -0.637 0.000 0.785 149 P CB 0.396 31.297 31.700 -1.333 0.000 0.923 150 N N 2.137 120.715 118.700 -0.203 0.000 2.424 150 N HA 0.073 4.813 4.740 -0.000 0.000 0.257 150 N C 0.363 175.931 175.510 0.096 0.000 1.250 150 N CA 0.129 53.124 53.050 -0.091 0.000 0.946 150 N CB -0.272 38.175 38.487 -0.067 0.000 1.175 150 N HN 0.403 nan 8.380 nan 0.000 0.477 151 N N -0.912 117.821 118.700 0.056 0.000 2.747 151 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 151 N C -0.883 174.787 175.510 0.267 0.000 1.107 151 N CA 0.684 53.812 53.050 0.131 0.000 0.707 151 N CB -1.563 37.018 38.487 0.157 0.000 1.054 151 N HN 0.465 nan 8.380 nan 0.000 0.555 152 T N 0.804 115.500 114.554 0.238 0.000 2.851 152 T HA 0.132 4.481 4.350 -0.000 0.000 0.298 152 T C 1.698 176.554 174.700 0.260 0.000 0.977 152 T CA 0.051 62.328 62.100 0.295 0.000 1.126 152 T CB 1.254 70.221 68.868 0.164 0.000 0.916 152 T HN 0.162 nan 8.240 nan 0.000 0.529 153 Q N 1.964 121.920 119.800 0.259 0.000 2.250 153 Q HA 0.143 4.483 4.340 -0.000 0.000 0.200 153 Q C 0.184 176.372 176.000 0.313 0.000 0.941 153 Q CA 0.480 56.455 55.803 0.286 0.000 0.872 153 Q CB 0.726 29.616 28.738 0.253 0.000 0.965 153 Q HN 0.697 nan 8.270 nan 0.000 0.480 154 W N -0.185 121.112 121.300 -0.005 0.000 3.571 154 W HA 0.558 5.217 4.660 -0.001 0.000 0.294 154 W C -2.339 174.129 176.519 -0.085 0.000 1.257 154 W CA -0.750 56.547 57.345 -0.080 0.000 1.206 154 W CB 1.151 30.505 29.460 -0.177 0.000 1.325 154 W HN -0.091 nan 8.180 nan 0.000 0.546 155 I N 4.135 123.942 120.570 -1.272 0.000 2.827 155 I HA 0.611 4.781 4.170 -0.000 0.000 0.298 155 I C -1.562 173.947 176.117 -1.013 0.000 1.235 155 I CA -0.049 60.695 61.300 -0.928 0.000 1.021 155 I CB 2.606 40.012 38.000 -0.989 0.000 1.259 155 I HN 0.353 nan 8.210 nan 0.000 0.427 156 T N 4.699 118.968 114.554 -0.476 0.000 3.012 156 T HA 0.423 4.772 4.350 -0.000 0.000 0.330 156 T C -1.755 172.948 174.700 0.005 0.000 1.321 156 T CA -0.298 61.688 62.100 -0.190 0.000 1.067 156 T CB 0.637 69.613 68.868 0.180 0.000 1.235 156 T HN 0.522 nan 8.240 nan 0.000 0.479 157 W N 2.927 124.284 121.300 0.094 0.000 2.161 157 W HA 0.494 5.153 4.660 -0.000 0.000 0.344 157 W C 1.219 177.651 176.519 -0.144 0.000 1.262 157 W CA -0.557 56.801 57.345 0.021 0.000 1.270 157 W CB 0.612 30.083 29.460 0.019 0.000 1.126 157 W HN 0.782 nan 8.180 nan 0.000 0.598 158 S N 1.092 116.613 115.700 -0.300 0.000 2.600 158 S HA 0.149 4.619 4.470 -0.000 0.000 0.265 158 S C -1.882 172.522 174.600 -0.327 0.000 1.325 158 S CA -0.954 56.575 58.200 -1.118 0.000 1.002 158 S CB 0.716 63.054 63.200 -1.436 0.000 0.921 158 S HN 0.276 nan 8.310 nan 0.000 0.554 159 P HA 0.040 nan 4.420 nan 0.000 0.222 159 P C 0.240 177.511 177.300 -0.049 0.000 1.147 159 P CA 0.731 63.813 63.100 -0.029 0.000 0.790 159 P CB -0.151 31.563 31.700 0.023 0.000 0.780 160 V N -6.744 113.092 119.914 -0.130 0.000 3.040 160 V HA 0.887 5.006 4.120 -0.000 0.000 0.312 160 V C 0.486 176.484 176.094 -0.161 0.000 1.115 160 V CA -0.307 61.929 62.300 -0.107 0.000 0.998 160 V CB 1.089 32.857 31.823 -0.092 0.000 1.042 160 V HN 0.386 nan 8.190 nan 0.000 0.433 161 G N 2.295 111.015 108.800 -0.133 0.000 2.527 161 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.268 161 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.268 161 G C 0.261 175.085 174.900 -0.125 0.000 1.175 161 G CA 0.932 45.917 45.100 -0.191 0.000 0.962 161 G HN 2.609 nan 8.290 nan 0.000 0.560 162 H N -0.687 118.377 119.070 -0.009 0.000 3.233 162 H HA 0.410 4.965 4.556 -0.001 0.000 0.232 162 H C 0.199 175.699 175.328 0.287 0.000 1.322 162 H CA -0.134 55.977 56.048 0.105 0.000 1.043 162 H CB -0.333 29.512 29.762 0.138 0.000 2.572 162 H HN 0.527 nan 8.280 nan 0.000 0.597 163 K N 1.546 122.012 120.400 0.109 0.000 2.138 163 K HA 0.552 4.872 4.320 -0.000 0.000 0.251 163 K C -0.402 176.324 176.600 0.210 0.000 1.015 163 K CA -0.446 55.892 56.287 0.085 0.000 0.917 163 K CB 1.629 34.012 32.500 -0.194 0.000 1.021 163 K HN 0.126 nan 8.250 nan 0.000 0.485 164 L N 0.782 122.143 121.223 0.229 0.000 2.401 164 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 164 L C -1.075 175.997 176.870 0.337 0.000 0.991 164 L CA -0.895 54.046 54.840 0.169 0.000 0.818 164 L CB 2.207 44.205 42.059 -0.103 0.000 1.321 164 L HN 0.708 nan 8.230 nan 0.000 0.413 165 A N 2.294 125.311 122.820 0.327 0.000 2.371 165 A HA 0.863 5.183 4.320 -0.000 0.000 0.311 165 A C -1.628 175.995 177.584 0.065 0.000 1.068 165 A CA -0.375 51.734 52.037 0.120 0.000 0.744 165 A CB 1.314 20.291 19.000 -0.037 0.000 1.239 165 A HN 0.656 nan 8.150 nan 0.000 0.435 166 Y N -0.790 119.485 120.300 -0.042 0.000 2.625 166 Y HA 0.767 5.317 4.550 -0.000 0.000 0.338 166 Y C -1.322 174.613 175.900 0.059 0.000 1.123 166 Y CA -1.616 56.444 58.100 -0.066 0.000 1.046 166 Y CB 0.994 39.351 38.460 -0.172 0.000 1.299 166 Y HN 0.432 nan 8.280 nan 0.000 0.464 167 V N 1.823 121.923 119.914 0.310 0.000 2.495 167 V HA 0.419 4.538 4.120 -0.000 0.000 0.298 167 V C -1.511 174.840 176.094 0.429 0.000 1.031 167 V CA -0.603 61.845 62.300 0.247 0.000 0.871 167 V CB 1.457 33.335 31.823 0.093 0.000 0.988 167 V HN 0.871 nan 8.190 nan 0.000 0.432 168 W N 4.737 126.172 121.300 0.225 0.000 3.097 168 W HA 0.460 5.120 4.660 -0.001 0.000 0.335 168 W C 0.295 176.886 176.519 0.120 0.000 1.114 168 W CA -0.775 56.664 57.345 0.156 0.000 1.231 168 W CB 1.283 30.808 29.460 0.109 0.000 1.388 168 W HN 0.788 nan 8.180 nan 0.000 0.485 169 N N 5.195 123.518 118.700 -0.629 0.000 2.721 169 N HA -0.360 4.380 4.740 -0.000 0.000 0.249 169 N C 0.161 175.502 175.510 -0.282 0.000 1.072 169 N CA 1.044 53.732 53.050 -0.603 0.000 0.710 169 N CB -1.170 36.744 38.487 -0.955 0.000 0.993 169 N HN 0.851 nan 8.380 nan 0.000 0.547 170 N N -1.655 116.949 118.700 -0.161 0.000 2.800 170 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 170 N C -1.361 174.069 175.510 -0.133 0.000 1.078 170 N CA 1.016 53.990 53.050 -0.126 0.000 0.804 170 N CB -0.273 38.086 38.487 -0.212 0.000 1.135 170 N HN 0.408 nan 8.380 nan 0.000 0.565 171 D N 0.353 120.685 120.400 -0.113 0.000 2.433 171 D HA 0.496 5.135 4.640 -0.000 0.000 0.236 171 D C 0.048 176.178 176.300 -0.283 0.000 1.026 171 D CA -0.362 53.486 54.000 -0.254 0.000 0.884 171 D CB 1.660 42.253 40.800 -0.346 0.000 1.384 171 D HN 0.025 nan 8.370 nan 0.000 0.477 172 I N 1.483 121.714 120.570 -0.564 0.000 2.428 172 I HA 0.266 4.436 4.170 -0.000 0.000 0.296 172 I C -0.717 174.886 176.117 -0.856 0.000 0.985 172 I CA -0.502 60.457 61.300 -0.569 0.000 1.260 172 I CB 0.662 38.275 38.000 -0.646 0.000 1.389 172 I HN 0.159 nan 8.210 nan 0.000 0.484 173 Y N 3.904 123.822 120.300 -0.636 0.000 2.512 173 Y HA 0.622 5.171 4.550 -0.001 0.000 0.348 173 Y C -0.390 175.141 175.900 -0.616 0.000 0.990 173 Y CA -0.948 56.717 58.100 -0.725 0.000 1.033 173 Y CB 2.073 39.834 38.460 -1.165 0.000 1.259 173 Y HN 0.107 nan 8.280 nan 0.000 0.461 174 V N 3.064 122.856 119.914 -0.203 0.000 2.540 174 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 174 V C -0.778 175.345 176.094 0.048 0.000 1.035 174 V CA -1.348 60.926 62.300 -0.043 0.000 0.873 174 V CB 1.863 33.690 31.823 0.006 0.000 0.992 174 V HN 0.626 nan 8.190 nan 0.000 0.428 175 K N 3.709 124.180 120.400 0.119 0.000 2.527 175 K HA 0.406 4.725 4.320 -0.000 0.000 0.240 175 K C 0.575 177.251 176.600 0.128 0.000 0.989 175 K CA -0.258 56.098 56.287 0.116 0.000 0.985 175 K CB 1.181 33.750 32.500 0.115 0.000 1.221 175 K HN 0.640 nan 8.250 nan 0.000 0.458 176 N N 1.317 120.085 118.700 0.115 0.000 2.166 176 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 176 N C -0.142 175.450 175.510 0.137 0.000 1.019 176 N CA 0.994 54.110 53.050 0.110 0.000 0.856 176 N CB 0.317 38.853 38.487 0.082 0.000 0.993 176 N HN 0.416 nan 8.380 nan 0.000 0.426 177 E N -0.746 119.513 120.200 0.099 0.000 2.222 177 E HA 0.195 4.545 4.350 -0.000 0.000 0.267 177 E C -1.918 174.646 176.600 -0.061 0.000 0.884 177 E CA -2.017 54.422 56.400 0.065 0.000 0.764 177 E CB 1.819 31.558 29.700 0.065 0.000 1.169 177 E HN -0.111 nan 8.360 nan 0.000 0.413 178 P HA -0.152 nan 4.420 nan 0.000 0.218 178 P C 0.803 177.994 177.300 -0.182 0.000 1.148 178 P CA 1.285 64.185 63.100 -0.333 0.000 0.822 178 P CB 0.325 31.520 31.700 -0.842 0.000 0.784 179 N N -1.691 116.931 118.700 -0.130 0.000 2.280 179 N HA 0.004 4.744 4.740 -0.000 0.000 0.192 179 N C 0.157 175.650 175.510 -0.028 0.000 1.109 179 N CA 0.427 53.443 53.050 -0.058 0.000 0.855 179 N CB -0.119 38.352 38.487 -0.027 0.000 0.974 179 N HN 0.067 nan 8.380 nan 0.000 0.482 180 L N 0.984 122.194 121.223 -0.021 0.000 2.358 180 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 180 L C 0.508 177.382 176.870 0.006 0.000 1.032 180 L CA -0.576 54.266 54.840 0.003 0.000 0.805 180 L CB 1.364 43.436 42.059 0.022 0.000 1.253 180 L HN -0.050 nan 8.230 nan 0.000 0.452 181 S N 0.502 116.212 115.700 0.016 0.000 2.568 181 S HA 0.136 4.606 4.470 -0.000 0.000 0.282 181 S C 0.376 175.001 174.600 0.042 0.000 1.338 181 S CA -0.417 57.795 58.200 0.021 0.000 1.045 181 S CB 0.537 63.755 63.200 0.029 0.000 0.873 181 S HN 0.684 nan 8.310 nan 0.000 0.516 182 S N 1.744 117.477 115.700 0.054 0.000 2.617 182 S HA 0.455 4.925 4.470 -0.000 0.000 0.269 182 S C -0.550 174.106 174.600 0.093 0.000 1.292 182 S CA -0.763 57.489 58.200 0.087 0.000 1.010 182 S CB 1.036 64.315 63.200 0.131 0.000 0.944 182 S HN 0.629 nan 8.310 nan 0.000 0.536 183 Q N 1.348 121.188 119.800 0.067 0.000 2.333 183 Q HA 0.375 4.715 4.340 -0.000 0.000 0.265 183 Q C -0.525 175.432 176.000 -0.071 0.000 0.989 183 Q CA -0.487 55.339 55.803 0.039 0.000 0.842 183 Q CB 1.257 30.015 28.738 0.034 0.000 1.262 183 Q HN 0.751 nan 8.270 nan 0.000 0.451 184 R N 4.514 124.921 120.500 -0.156 0.000 2.491 184 R HA 0.126 4.465 4.340 -0.000 0.000 0.283 184 R C 0.104 176.090 176.300 -0.524 0.000 1.072 184 R CA -0.027 55.672 56.100 -0.668 0.000 1.048 184 R CB 0.473 30.163 30.300 -1.016 0.000 0.983 184 R HN 0.795 nan 8.270 nan 0.000 0.450 185 I N 1.680 121.837 120.570 -0.688 0.000 3.172 185 I HA -0.003 4.167 4.170 -0.000 0.000 0.278 185 I C 1.012 176.869 176.117 -0.433 0.000 1.174 185 I CA 0.877 61.915 61.300 -0.436 0.000 1.445 185 I CB -0.398 37.329 38.000 -0.455 0.000 1.175 185 I HN 0.617 nan 8.210 nan 0.000 0.447 186 T N -3.614 110.516 114.554 -0.706 0.000 2.907 186 T HA 0.427 4.776 4.350 -0.000 0.000 0.292 186 T C -0.734 173.535 174.700 -0.718 0.000 1.043 186 T CA -0.487 61.311 62.100 -0.503 0.000 1.003 186 T CB 1.914 70.502 68.868 -0.466 0.000 1.084 186 T HN 0.154 nan 8.240 nan 0.000 0.483 187 W N 0.290 121.478 121.300 -0.188 0.000 2.518 187 W HA 0.252 4.912 4.660 0.000 0.000 0.352 187 W C 1.761 178.221 176.519 -0.099 0.000 0.952 187 W CA -0.163 57.105 57.345 -0.129 0.000 1.624 187 W CB 0.032 29.436 29.460 -0.094 0.000 1.135 187 W HN 0.911 nan 8.180 nan 0.000 0.540 188 T N -2.733 111.843 114.554 0.036 0.000 3.086 188 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 188 T C 1.252 175.930 174.700 -0.038 0.000 1.074 188 T CA 0.173 62.284 62.100 0.017 0.000 0.988 188 T CB -0.146 68.736 68.868 0.024 0.000 0.988 188 T HN 0.024 nan 8.240 nan 0.000 0.530 189 G N 1.476 110.221 108.800 -0.092 0.000 2.178 189 G HA2 0.319 4.279 3.960 -0.000 0.000 0.244 189 G HA3 0.319 4.279 3.960 -0.000 0.000 0.244 189 G C -0.559 174.259 174.900 -0.135 0.000 1.213 189 G CA -0.308 44.712 45.100 -0.135 0.000 0.912 189 G HN 0.605 nan 8.290 nan 0.000 0.474 190 K N 2.014 122.307 120.400 -0.178 0.000 2.588 190 K HA 0.209 4.529 4.320 -0.000 0.000 0.250 190 K C -0.136 176.321 176.600 -0.239 0.000 0.972 190 K CA -0.711 55.478 56.287 -0.164 0.000 0.821 190 K CB 1.492 33.934 32.500 -0.098 0.000 1.249 190 K HN 0.602 nan 8.250 nan 0.000 0.442 191 E N 3.689 123.768 120.200 -0.201 0.000 2.652 191 E HA -0.180 4.169 4.350 -0.000 0.000 0.255 191 E C -0.445 176.070 176.600 -0.141 0.000 0.952 191 E CA 1.244 57.531 56.400 -0.187 0.000 0.947 191 E CB -0.035 29.594 29.700 -0.118 0.000 0.912 191 E HN 0.815 nan 8.360 nan 0.000 0.489 192 N N 1.558 120.178 118.700 -0.134 0.000 2.863 192 N HA -0.261 4.479 4.740 -0.000 0.000 0.245 192 N C 0.111 175.661 175.510 0.066 0.000 1.001 192 N CA 0.548 53.633 53.050 0.059 0.000 0.901 192 N CB -0.498 38.033 38.487 0.072 0.000 1.124 192 N HN 0.313 nan 8.380 nan 0.000 0.582 193 V N -0.877 118.987 119.914 -0.083 0.000 3.161 193 V HA 0.278 4.398 4.120 -0.000 0.000 0.221 193 V C 0.186 176.313 176.094 0.054 0.000 1.296 193 V CA 0.409 62.726 62.300 0.028 0.000 1.306 193 V CB 0.732 32.554 31.823 -0.002 0.000 1.171 193 V HN 0.085 nan 8.190 nan 0.000 0.513 194 I N 1.148 121.654 120.570 -0.108 0.000 2.418 194 I HA 0.457 4.626 4.170 -0.000 0.000 0.287 194 I C -1.522 174.502 176.117 -0.155 0.000 1.008 194 I CA -0.546 60.747 61.300 -0.011 0.000 1.104 194 I CB 1.116 39.115 38.000 -0.001 0.000 1.264 194 I HN 0.234 nan 8.210 nan 0.000 0.438 195 Y N 4.655 125.029 120.300 0.124 0.000 2.328 195 Y HA 0.404 4.954 4.550 -0.000 0.000 0.333 195 Y C 0.410 176.373 175.900 0.105 0.000 0.958 195 Y CA -0.805 57.368 58.100 0.121 0.000 1.167 195 Y CB 1.138 39.720 38.460 0.204 0.000 1.151 195 Y HN 0.404 nan 8.280 nan 0.000 0.470 196 N N 2.260 121.023 118.700 0.105 0.000 2.444 196 N HA 0.365 5.105 4.740 -0.000 0.000 0.262 196 N C 0.796 176.257 175.510 -0.081 0.000 0.974 196 N CA 0.426 53.473 53.050 -0.005 0.000 0.933 196 N CB 1.819 40.176 38.487 -0.216 0.000 1.137 196 N HN 0.993 nan 8.380 nan 0.000 0.498 197 G N 0.502 109.303 108.800 0.002 0.000 2.176 197 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.253 197 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.253 197 G C -0.022 174.778 174.900 -0.168 0.000 0.979 197 G CA 0.629 45.668 45.100 -0.102 0.000 0.641 197 G HN 0.705 nan 8.290 nan 0.000 0.530 198 V N -2.172 117.687 119.914 -0.091 0.000 3.114 198 V HA 0.925 5.045 4.120 -0.000 0.000 0.308 198 V C 0.325 176.380 176.094 -0.066 0.000 1.168 198 V CA -0.017 62.087 62.300 -0.326 0.000 1.015 198 V CB 1.432 32.745 31.823 -0.850 0.000 1.050 198 V HN 1.184 nan 8.190 nan 0.000 0.433 199 T N 0.071 114.463 114.554 -0.270 0.000 2.868 199 T HA 0.467 4.816 4.350 -0.000 0.000 0.292 199 T C -0.061 174.260 174.700 -0.632 0.000 1.028 199 T CA -0.034 61.639 62.100 -0.712 0.000 1.059 199 T CB 0.997 69.495 68.868 -0.618 0.000 0.991 199 T HN 1.120 nan 8.240 nan 0.000 0.531 200 D N 0.187 120.000 120.400 -0.978 0.000 2.478 200 D HA 0.028 4.667 4.640 -0.000 0.000 0.274 200 D C 0.960 177.064 176.300 -0.328 0.000 1.234 200 D CA -1.078 52.389 54.000 -0.889 0.000 1.069 200 D CB 0.051 40.398 40.800 -0.755 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N -0.027 121.126 121.300 -0.245 0.000 2.335 201 W HA -0.193 4.467 4.660 -0.001 0.000 0.311 201 W C 2.158 178.508 176.519 -0.281 0.000 1.213 201 W CA 2.140 59.349 57.345 -0.226 0.000 1.274 201 W CB -0.413 28.863 29.460 -0.307 0.000 1.148 201 W HN 0.181 nan 8.180 nan 0.000 0.498 202 V N -0.179 119.722 119.914 -0.021 0.000 2.548 202 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 202 V C 1.816 177.654 176.094 -0.426 0.000 1.055 202 V CA 1.858 64.035 62.300 -0.206 0.000 1.065 202 V CB -0.690 31.042 31.823 -0.150 0.000 0.681 202 V HN 0.277 nan 8.190 nan 0.000 0.462 203 Y N 0.622 120.604 120.300 -0.530 0.000 2.263 203 Y HA -0.147 4.403 4.550 -0.000 0.000 0.292 203 Y C 2.572 178.135 175.900 -0.561 0.000 1.130 203 Y CA 2.055 59.757 58.100 -0.663 0.000 1.179 203 Y CB -0.064 37.733 38.460 -1.104 0.000 0.998 203 Y HN 0.381 nan 8.280 nan 0.000 0.532 204 E N 0.365 120.350 120.200 -0.357 0.000 2.051 204 E HA -0.291 4.059 4.350 -0.000 0.000 0.192 204 E C 2.009 178.492 176.600 -0.196 0.000 0.991 204 E CA 1.578 57.851 56.400 -0.211 0.000 0.799 204 E CB 0.003 29.613 29.700 -0.150 0.000 0.748 204 E HN 0.424 nan 8.360 nan 0.000 0.449 205 E N 0.275 120.172 120.200 -0.504 0.000 2.051 205 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 205 E C 1.661 178.127 176.600 -0.223 0.000 0.979 205 E CA 1.526 57.651 56.400 -0.458 0.000 0.803 205 E CB 0.150 29.230 29.700 -1.033 0.000 0.761 205 E HN 0.232 nan 8.360 nan 0.000 0.451 206 E N -0.714 119.329 120.200 -0.262 0.000 2.431 206 E HA 0.092 4.442 4.350 -0.000 0.000 0.200 206 E C 1.723 178.241 176.600 -0.137 0.000 0.995 206 E CA 0.374 56.689 56.400 -0.141 0.000 0.915 206 E CB 1.004 30.606 29.700 -0.163 0.000 0.930 206 E HN 0.206 nan 8.360 nan 0.000 0.496 207 V N -0.046 119.757 119.914 -0.186 0.000 2.735 207 V HA 0.023 4.143 4.120 -0.000 0.000 0.234 207 V C 1.631 177.899 176.094 0.291 0.000 1.121 207 V CA 0.638 62.904 62.300 -0.057 0.000 1.160 207 V CB -0.272 31.366 31.823 -0.309 0.000 0.908 207 V HN 0.027 nan 8.190 nan 0.000 0.495 208 F N 0.706 120.653 119.950 -0.004 0.000 2.569 208 F HA 0.279 4.806 4.527 -0.001 0.000 0.295 208 F C 1.713 177.469 175.800 -0.074 0.000 1.115 208 F CA 0.157 58.168 58.000 0.018 0.000 1.450 208 F CB -0.899 38.132 39.000 0.051 0.000 1.107 208 F HN 0.162 nan 8.300 nan 0.000 0.563 209 S N 0.092 115.835 115.700 0.071 0.000 3.641 209 S HA 0.044 4.513 4.470 -0.000 0.000 0.346 209 S C 0.088 174.322 174.600 -0.610 0.000 1.074 209 S CA 0.474 58.576 58.200 -0.164 0.000 1.026 209 S CB -1.604 61.549 63.200 -0.078 0.000 0.908 209 S HN 0.701 nan 8.310 nan 0.000 0.479 210 A N -0.646 122.021 122.820 -0.254 0.000 2.597 210 A HA 0.679 4.999 4.320 -0.000 0.000 0.292 210 A C -0.433 177.173 177.584 0.038 0.000 1.057 210 A CA -0.401 51.526 52.037 -0.183 0.000 0.674 210 A CB 0.228 19.149 19.000 -0.131 0.000 1.278 210 A HN 0.408 nan 8.150 nan 0.000 0.416 211 Y N 1.605 121.802 120.300 -0.172 0.000 2.436 211 Y HA 0.177 4.727 4.550 -0.000 0.000 0.288 211 Y C 1.577 177.257 175.900 -0.367 0.000 1.112 211 Y CA 0.782 58.766 58.100 -0.194 0.000 1.220 211 Y CB 0.017 38.405 38.460 -0.120 0.000 1.073 211 Y HN 0.795 nan 8.280 nan 0.000 0.552 212 S N 0.774 116.044 115.700 -0.718 0.000 2.562 212 S HA 0.480 4.950 4.470 -0.000 0.000 0.281 212 S C 0.286 174.522 174.600 -0.608 0.000 1.333 212 S CA -0.073 57.432 58.200 -1.159 0.000 1.052 212 S CB 1.317 63.319 63.200 -1.996 0.000 0.884 212 S HN 0.477 nan 8.310 nan 0.000 0.506 213 A N 3.616 126.054 122.820 -0.637 0.000 3.045 213 A HA 0.564 4.884 4.320 -0.000 0.000 0.244 213 A C -0.458 176.566 177.584 -0.933 0.000 0.917 213 A CA -0.587 51.103 52.037 -0.579 0.000 1.075 213 A CB -0.009 19.105 19.000 0.190 0.000 1.202 213 A HN 0.791 nan 8.150 nan 0.000 0.486 214 L N 0.406 120.912 121.223 -1.196 0.000 2.408 214 L HA 0.619 4.959 4.340 -0.000 0.000 0.268 214 L C -1.320 175.157 176.870 -0.655 0.000 0.986 214 L CA -0.522 53.947 54.840 -0.620 0.000 0.820 214 L CB 2.101 44.011 42.059 -0.247 0.000 1.303 214 L HN 0.475 nan 8.230 nan 0.000 0.411 215 W N 2.443 123.839 121.300 0.161 0.000 2.728 215 W HA 0.221 4.881 4.660 -0.001 0.000 0.324 215 W C -1.067 175.735 176.519 0.472 0.000 1.012 215 W CA -1.047 56.503 57.345 0.342 0.000 1.279 215 W CB 1.296 30.973 29.460 0.362 0.000 1.289 215 W HN 0.481 nan 8.180 nan 0.000 0.418 216 W N 2.454 124.015 121.300 0.435 0.000 2.170 216 W HA 0.212 4.872 4.660 -0.000 0.000 0.336 216 W C 1.337 177.737 176.519 -0.199 0.000 1.283 216 W CA 0.416 57.872 57.345 0.185 0.000 1.224 216 W CB 0.820 30.346 29.460 0.110 0.000 1.132 216 W HN 0.177 nan 8.180 nan 0.000 0.571 217 S N 2.301 117.782 115.700 -0.366 0.000 2.600 217 S HA 0.170 4.640 4.470 -0.000 0.000 0.265 217 S C -1.825 172.504 174.600 -0.452 0.000 1.325 217 S CA -1.024 56.343 58.200 -1.388 0.000 1.002 217 S CB 0.964 63.439 63.200 -1.210 0.000 0.921 217 S HN 0.284 nan 8.310 nan 0.000 0.554 218 P HA -0.111 nan 4.420 nan 0.000 0.217 218 P C 0.718 177.974 177.300 -0.073 0.000 1.151 218 P CA 1.268 64.326 63.100 -0.069 0.000 0.849 218 P CB -0.003 31.706 31.700 0.016 0.000 0.787 219 N N -2.232 116.401 118.700 -0.111 0.000 2.238 219 N HA 0.114 4.854 4.740 -0.000 0.000 0.222 219 N C 0.937 176.353 175.510 -0.157 0.000 1.133 219 N CA 0.733 53.717 53.050 -0.110 0.000 0.854 219 N CB 0.314 38.753 38.487 -0.081 0.000 1.041 219 N HN 0.065 nan 8.380 nan 0.000 0.510 220 G N 0.492 109.200 108.800 -0.153 0.000 2.155 220 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 220 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 220 G C 1.101 175.997 174.900 -0.005 0.000 0.983 220 G CA 1.199 46.215 45.100 -0.140 0.000 0.676 220 G HN 0.344 nan 8.290 nan 0.000 0.528 221 T N -0.272 114.179 114.554 -0.172 0.000 2.770 221 T HA 0.240 4.589 4.350 -0.000 0.000 0.263 221 T C 0.808 175.246 174.700 -0.438 0.000 1.039 221 T CA 1.326 63.169 62.100 -0.428 0.000 1.142 221 T CB -0.041 68.313 68.868 -0.856 0.000 0.868 221 T HN 0.305 nan 8.240 nan 0.000 0.435 222 F N 0.345 120.343 119.950 0.081 0.000 2.492 222 F HA 0.658 5.184 4.527 -0.001 0.000 0.327 222 F C -0.324 175.559 175.800 0.139 0.000 1.079 222 F CA -1.848 56.231 58.000 0.131 0.000 0.967 222 F CB 1.218 40.330 39.000 0.186 0.000 1.169 222 F HN -0.130 nan 8.300 nan 0.000 0.472 223 L N 2.696 124.073 121.223 0.256 0.000 2.377 223 L HA 0.812 5.152 4.340 -0.000 0.000 0.270 223 L C -0.639 176.327 176.870 0.161 0.000 0.991 223 L CA -0.559 54.249 54.840 -0.054 0.000 0.851 223 L CB 0.622 42.339 42.059 -0.571 0.000 1.218 223 L HN 0.679 nan 8.230 nan 0.000 0.420 224 A N 4.748 127.767 122.820 0.332 0.000 2.304 224 A HA 0.751 5.071 4.320 -0.000 0.000 0.301 224 A C -1.281 176.433 177.584 0.217 0.000 1.132 224 A CA -0.191 51.928 52.037 0.137 0.000 0.819 224 A CB 0.487 19.590 19.000 0.171 0.000 1.094 224 A HN 0.930 nan 8.150 nan 0.000 0.492 225 Y N -1.485 118.706 120.300 -0.181 0.000 2.609 225 Y HA 0.741 5.290 4.550 -0.001 0.000 0.336 225 Y C -0.414 175.444 175.900 -0.069 0.000 1.129 225 Y CA -0.854 57.223 58.100 -0.037 0.000 1.040 225 Y CB 0.883 39.268 38.460 -0.125 0.000 1.310 225 Y HN 0.928 nan 8.280 nan 0.000 0.460 226 A N 2.506 125.459 122.820 0.221 0.000 2.320 226 A HA 0.661 4.981 4.320 -0.000 0.000 0.334 226 A C -1.235 176.267 177.584 -0.137 0.000 1.147 226 A CA -0.870 51.121 52.037 -0.075 0.000 0.820 226 A CB 1.744 20.688 19.000 -0.094 0.000 1.218 226 A HN 0.831 nan 8.150 nan 0.000 0.482 227 Q N 1.144 120.772 119.800 -0.286 0.000 2.331 227 Q HA 0.611 4.950 4.340 -0.000 0.000 0.267 227 Q C -2.041 173.701 176.000 -0.430 0.000 1.006 227 Q CA -0.376 55.367 55.803 -0.100 0.000 0.818 227 Q CB 0.992 29.890 28.738 0.266 0.000 1.276 227 Q HN 0.581 nan 8.270 nan 0.000 0.450 228 F N 2.511 122.533 119.950 0.120 0.000 2.436 228 F HA 0.401 4.928 4.527 -0.000 0.000 0.340 228 F C 0.368 176.285 175.800 0.196 0.000 1.113 228 F CA -0.894 57.144 58.000 0.063 0.000 1.022 228 F CB 1.444 40.386 39.000 -0.097 0.000 1.128 228 F HN 0.457 nan 8.300 nan 0.000 0.466 229 N N 2.067 120.951 118.700 0.307 0.000 2.479 229 N HA 0.217 4.957 4.740 -0.000 0.000 0.261 229 N C -0.914 174.743 175.510 0.245 0.000 0.979 229 N CA -0.356 52.843 53.050 0.248 0.000 0.930 229 N CB 1.007 39.589 38.487 0.159 0.000 1.172 229 N HN 0.540 nan 8.380 nan 0.000 0.499 230 D N 1.433 121.999 120.400 0.278 0.000 2.427 230 D HA 0.133 4.772 4.640 -0.000 0.000 0.224 230 D C 1.162 177.561 176.300 0.164 0.000 1.157 230 D CA 0.135 54.276 54.000 0.234 0.000 0.828 230 D CB 0.532 41.517 40.800 0.309 0.000 0.974 230 D HN 0.467 nan 8.370 nan 0.000 0.498 231 T N 0.180 114.813 114.554 0.131 0.000 2.685 231 T HA -0.207 4.142 4.350 -0.000 0.000 0.268 231 T C 1.436 176.181 174.700 0.075 0.000 1.034 231 T CA 1.310 63.463 62.100 0.089 0.000 1.149 231 T CB -0.027 68.883 68.868 0.071 0.000 0.860 231 T HN 0.308 nan 8.240 nan 0.000 0.449 232 E N 0.207 120.453 120.200 0.076 0.000 2.474 232 E HA 0.140 4.490 4.350 -0.000 0.000 0.195 232 E C -0.324 176.316 176.600 0.067 0.000 1.039 232 E CA -0.226 56.210 56.400 0.061 0.000 0.881 232 E CB 0.558 30.288 29.700 0.050 0.000 0.970 232 E HN 0.216 nan 8.360 nan 0.000 0.486 233 V N 3.637 123.603 119.914 0.087 0.000 2.508 233 V HA 0.099 4.218 4.120 -0.000 0.000 0.281 233 V C -2.031 174.111 176.094 0.080 0.000 1.041 233 V CA -1.508 60.847 62.300 0.091 0.000 1.016 233 V CB 0.373 32.266 31.823 0.116 0.000 0.984 233 V HN 0.031 nan 8.190 nan 0.000 0.478 234 P HA 0.234 nan 4.420 nan 0.000 0.270 234 P C -0.698 176.632 177.300 0.050 0.000 1.223 234 P CA -0.251 62.880 63.100 0.051 0.000 0.785 234 P CB 0.492 32.220 31.700 0.047 0.000 0.923 235 L N 1.913 123.143 121.223 0.012 0.000 2.309 235 L HA 0.449 4.789 4.340 -0.000 0.000 0.282 235 L C 0.330 177.146 176.870 -0.088 0.000 1.036 235 L CA -0.993 53.835 54.840 -0.019 0.000 0.806 235 L CB 1.015 43.056 42.059 -0.029 0.000 1.220 235 L HN 0.296 nan 8.230 nan 0.000 0.429 236 I N 2.650 123.120 120.570 -0.168 0.000 2.396 236 I HA 0.256 4.425 4.170 -0.000 0.000 0.292 236 I C -0.320 175.643 176.117 -0.257 0.000 0.999 236 I CA 0.222 61.323 61.300 -0.331 0.000 1.310 236 I CB 0.888 38.415 38.000 -0.788 0.000 1.404 236 I HN 0.574 nan 8.210 nan 0.000 0.496 237 E N 7.293 127.366 120.200 -0.212 0.000 2.248 237 E HA 0.507 4.857 4.350 -0.000 0.000 0.267 237 E C -1.814 174.722 176.600 -0.105 0.000 0.877 237 E CA -0.613 55.664 56.400 -0.205 0.000 0.759 237 E CB 2.170 31.779 29.700 -0.152 0.000 1.182 237 E HN 0.572 nan 8.360 nan 0.000 0.418 238 Y N -1.892 118.311 120.300 -0.161 0.000 2.609 238 Y HA 0.529 5.078 4.550 -0.000 0.000 0.336 238 Y C -0.689 175.131 175.900 -0.133 0.000 1.129 238 Y CA -1.256 56.758 58.100 -0.145 0.000 1.040 238 Y CB 0.871 39.250 38.460 -0.134 0.000 1.310 238 Y HN 0.207 nan 8.280 nan 0.000 0.460 239 S N 2.118 117.808 115.700 -0.016 0.000 2.565 239 S HA 0.462 4.932 4.470 -0.000 0.000 0.276 239 S C -1.328 173.106 174.600 -0.278 0.000 1.326 239 S CA -0.348 57.690 58.200 -0.271 0.000 1.045 239 S CB 0.407 63.303 63.200 -0.506 0.000 0.918 239 S HN 0.543 nan 8.310 nan 0.000 0.505 240 F N 2.104 121.772 119.950 -0.469 0.000 2.518 240 F HA 0.446 4.973 4.527 -0.000 0.000 0.323 240 F C -0.299 175.243 175.800 -0.430 0.000 1.129 240 F CA -0.891 56.936 58.000 -0.288 0.000 0.920 240 F CB 0.896 39.855 39.000 -0.070 0.000 1.160 240 F HN 0.643 nan 8.300 nan 0.000 0.440 241 Y N 2.751 122.790 120.300 -0.434 0.000 2.397 241 Y HA 0.149 4.698 4.550 -0.000 0.000 0.292 241 Y C 1.677 177.504 175.900 -0.122 0.000 1.115 241 Y CA 1.100 59.067 58.100 -0.222 0.000 1.208 241 Y CB -0.464 37.850 38.460 -0.244 0.000 1.046 241 Y HN 0.752 nan 8.280 nan 0.000 0.552 242 S N -0.092 115.534 115.700 -0.124 0.000 3.513 242 S HA -0.312 4.158 4.470 -0.000 0.000 0.636 242 S C -0.181 174.475 174.600 0.094 0.000 2.452 242 S CA 0.187 58.483 58.200 0.160 0.000 2.644 242 S CB -1.387 61.987 63.200 0.290 0.000 0.331 242 S HN 0.610 nan 8.310 nan 0.000 1.787 243 D N 0.916 121.386 120.400 0.117 0.000 2.419 243 D HA 0.180 4.819 4.640 -0.000 0.000 0.236 243 D C 1.420 177.754 176.300 0.056 0.000 1.165 243 D CA 0.982 55.028 54.000 0.077 0.000 0.882 243 D CB 0.411 41.256 40.800 0.075 0.000 1.201 243 D HN 0.536 nan 8.370 nan 0.000 0.443 244 E N 0.866 121.087 120.200 0.035 0.000 2.171 244 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 244 E C 1.588 178.201 176.600 0.022 0.000 0.997 244 E CA 1.362 57.773 56.400 0.019 0.000 0.810 244 E CB -0.009 29.696 29.700 0.008 0.000 0.738 244 E HN 0.578 nan 8.360 nan 0.000 0.467 245 S N 0.215 115.934 115.700 0.031 0.000 2.442 245 S HA -0.105 4.364 4.470 -0.000 0.000 0.236 245 S C 1.173 175.797 174.600 0.040 0.000 1.007 245 S CA 0.124 58.343 58.200 0.031 0.000 0.965 245 S CB -0.245 62.975 63.200 0.034 0.000 0.773 245 S HN 0.263 nan 8.310 nan 0.000 0.504 246 L N 2.438 123.695 121.223 0.055 0.000 2.456 246 L HA 0.119 4.459 4.340 -0.000 0.000 0.277 246 L C 1.633 178.538 176.870 0.060 0.000 1.124 246 L CA 0.040 54.925 54.840 0.074 0.000 0.880 246 L CB 0.771 42.888 42.059 0.097 0.000 1.192 246 L HN 0.443 nan 8.230 nan 0.000 0.463 247 Q N 4.014 123.854 119.800 0.066 0.000 2.119 247 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 247 Q C -0.639 175.282 176.000 -0.131 0.000 0.972 247 Q CA 1.377 57.167 55.803 -0.021 0.000 0.847 247 Q CB 0.232 28.976 28.738 0.010 0.000 0.903 247 Q HN 0.589 nan 8.270 nan 0.000 0.433 248 Y N 0.320 120.631 120.300 0.018 0.000 2.364 248 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 248 Y C -2.064 173.839 175.900 0.006 0.000 0.975 248 Y CA -2.960 55.146 58.100 0.010 0.000 1.089 248 Y CB 1.400 39.859 38.460 -0.003 0.000 1.192 248 Y HN 0.114 nan 8.280 nan 0.000 0.454 249 P HA 0.060 nan 4.420 nan 0.000 0.269 249 P C -0.843 176.456 177.300 -0.001 0.000 1.215 249 P CA -0.561 62.541 63.100 0.003 0.000 0.780 249 P CB 0.739 32.367 31.700 -0.119 0.000 0.898 250 K N 0.781 121.163 120.400 -0.031 0.000 2.110 250 K HA 0.399 4.719 4.320 -0.000 0.000 0.263 250 K C -0.828 175.719 176.600 -0.090 0.000 0.975 250 K CA -0.406 55.866 56.287 -0.024 0.000 0.895 250 K CB 0.643 33.160 32.500 0.028 0.000 1.060 250 K HN 0.305 nan 8.250 nan 0.000 0.448 251 T N 2.920 117.408 114.554 -0.109 0.000 2.758 251 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 251 T C -0.616 173.951 174.700 -0.222 0.000 0.981 251 T CA -0.628 61.372 62.100 -0.167 0.000 0.965 251 T CB 1.105 69.891 68.868 -0.137 0.000 0.927 251 T HN 0.319 nan 8.240 nan 0.000 0.448 252 V N 6.110 125.791 119.914 -0.388 0.000 2.546 252 V HA 0.490 4.610 4.120 -0.000 0.000 0.284 252 V C 0.358 176.178 176.094 -0.457 0.000 1.050 252 V CA -0.672 61.346 62.300 -0.469 0.000 0.981 252 V CB 0.670 32.004 31.823 -0.815 0.000 0.990 252 V HN 0.755 nan 8.190 nan 0.000 0.474 253 R N 5.540 125.898 120.500 -0.237 0.000 2.561 253 R HA 0.745 5.085 4.340 -0.000 0.000 0.297 253 R C -1.563 174.709 176.300 -0.047 0.000 0.969 253 R CA -0.654 55.350 56.100 -0.159 0.000 0.879 253 R CB 1.879 32.120 30.300 -0.097 0.000 1.178 253 R HN 0.591 nan 8.270 nan 0.000 0.445 254 I N 2.277 122.816 120.570 -0.051 0.000 2.569 254 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 254 I C -2.564 173.587 176.117 0.056 0.000 1.088 254 I CA -2.713 58.614 61.300 0.046 0.000 1.047 254 I CB 3.059 41.012 38.000 -0.079 0.000 1.237 254 I HN 0.228 nan 8.210 nan 0.000 0.421 255 P HA 0.086 nan 4.420 nan 0.000 0.270 255 P C -1.473 175.920 177.300 0.155 0.000 1.242 255 P CA 0.264 63.452 63.100 0.147 0.000 0.768 255 P CB -0.033 31.790 31.700 0.206 0.000 0.820 256 Y N 6.684 126.957 120.300 -0.045 0.000 2.315 256 Y HA 0.396 4.946 4.550 -0.001 0.000 0.324 256 Y C -2.745 173.130 175.900 -0.042 0.000 1.062 256 Y CA -2.962 55.075 58.100 -0.105 0.000 1.159 256 Y CB 1.793 40.081 38.460 -0.286 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.262 nan 4.420 nan 0.000 0.287 257 P C -0.996 176.360 177.300 0.095 0.000 1.307 257 P CA -0.206 62.936 63.100 0.069 0.000 0.777 257 P CB 1.541 33.259 31.700 0.031 0.000 0.883 258 K N 1.977 122.510 120.400 0.221 0.000 2.127 258 K HA 0.550 4.870 4.320 -0.000 0.000 0.240 258 K C 0.470 177.169 176.600 0.165 0.000 1.024 258 K CA -0.829 55.607 56.287 0.249 0.000 0.918 258 K CB 0.624 33.283 32.500 0.264 0.000 1.108 258 K HN 0.449 nan 8.250 nan 0.000 0.485 259 A N 0.621 123.563 122.820 0.202 0.000 2.580 259 A HA 0.269 4.588 4.320 -0.000 0.000 0.244 259 A C 1.172 178.801 177.584 0.075 0.000 1.045 259 A CA 1.101 53.247 52.037 0.181 0.000 0.761 259 A CB -1.287 17.902 19.000 0.315 0.000 0.962 259 A HN 0.901 nan 8.150 nan 0.000 0.512 260 G N 0.938 109.773 108.800 0.058 0.000 2.205 260 G HA2 0.110 4.069 3.960 -0.000 0.000 0.261 260 G HA3 0.110 4.069 3.960 -0.000 0.000 0.261 260 G C 0.658 175.572 174.900 0.023 0.000 0.980 260 G CA 0.735 45.842 45.100 0.012 0.000 0.632 260 G HN 2.195 nan 8.290 nan 0.000 0.533 261 A N -0.041 122.808 122.820 0.049 0.000 2.259 261 A HA 0.646 4.966 4.320 -0.000 0.000 0.278 261 A C 0.575 178.188 177.584 0.048 0.000 1.107 261 A CA -0.223 51.844 52.037 0.050 0.000 0.828 261 A CB 0.349 19.393 19.000 0.073 0.000 1.111 261 A HN 0.290 nan 8.150 nan 0.000 0.498 262 E N 1.321 121.548 120.200 0.046 0.000 2.415 262 E HA 0.035 4.385 4.350 -0.000 0.000 0.263 262 E C -0.570 176.068 176.600 0.064 0.000 0.995 262 E CA 0.201 56.627 56.400 0.045 0.000 0.915 262 E CB 0.310 30.036 29.700 0.044 0.000 0.951 262 E HN 0.476 nan 8.360 nan 0.000 0.449 263 N N 2.969 121.709 118.700 0.065 0.000 2.482 263 N HA 0.376 5.115 4.740 -0.000 0.000 0.279 263 N C -2.365 173.222 175.510 0.128 0.000 1.182 263 N CA -1.638 51.474 53.050 0.104 0.000 0.969 263 N CB 0.725 39.283 38.487 0.118 0.000 1.201 263 N HN 0.210 nan 8.380 nan 0.000 0.523 264 P HA 0.106 nan 4.420 nan 0.000 0.274 264 P C -0.504 176.937 177.300 0.234 0.000 1.231 264 P CA -0.136 63.102 63.100 0.230 0.000 0.790 264 P CB 0.430 32.308 31.700 0.295 0.000 0.951 265 T N -1.207 113.456 114.554 0.181 0.000 2.944 265 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 265 T C -0.201 174.585 174.700 0.142 0.000 1.010 265 T CA -0.828 61.338 62.100 0.109 0.000 1.025 265 T CB 1.509 70.408 68.868 0.051 0.000 1.079 265 T HN 0.341 nan 8.240 nan 0.000 0.516 266 V N 0.330 120.298 119.914 0.089 0.000 2.962 266 V HA 0.748 4.868 4.120 -0.000 0.000 0.313 266 V C -1.574 174.532 176.094 0.020 0.000 1.099 266 V CA -0.928 61.372 62.300 -0.001 0.000 0.971 266 V CB 2.122 33.980 31.823 0.058 0.000 1.028 266 V HN 1.026 nan 8.190 nan 0.000 0.430 267 K N 4.550 124.878 120.400 -0.121 0.000 2.468 267 K HA 0.508 4.827 4.320 -0.000 0.000 0.252 267 K C -1.886 174.477 176.600 -0.395 0.000 0.932 267 K CA -0.413 55.726 56.287 -0.247 0.000 0.794 267 K CB 2.699 35.016 32.500 -0.305 0.000 1.241 267 K HN 0.575 nan 8.250 nan 0.000 0.428 268 F N 3.291 122.886 119.950 -0.592 0.000 2.458 268 F HA 0.555 5.082 4.527 -0.000 0.000 0.336 268 F C -1.390 173.913 175.800 -0.828 0.000 1.114 268 F CA -0.656 57.025 58.000 -0.531 0.000 0.987 268 F CB 0.703 39.547 39.000 -0.260 0.000 1.130 268 F HN 0.379 nan 8.300 nan 0.000 0.458 269 F N 4.395 123.655 119.950 -1.151 0.000 2.577 269 F HA 0.692 5.219 4.527 -0.000 0.000 0.318 269 F C -0.902 174.376 175.800 -0.870 0.000 1.065 269 F CA -1.250 56.236 58.000 -0.856 0.000 0.929 269 F CB 2.069 40.512 39.000 -0.927 0.000 1.237 269 F HN 0.071 nan 8.300 nan 0.000 0.468 270 V N 3.259 123.063 119.914 -0.185 0.000 2.407 270 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 270 V C -0.636 175.568 176.094 0.183 0.000 1.018 270 V CA -0.795 61.433 62.300 -0.120 0.000 0.842 270 V CB 1.593 33.134 31.823 -0.469 0.000 0.996 270 V HN 0.527 nan 8.190 nan 0.000 0.426 271 V N 3.487 123.550 119.914 0.247 0.000 2.439 271 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 271 V C 0.009 176.372 176.094 0.448 0.000 1.039 271 V CA -0.473 62.009 62.300 0.303 0.000 0.913 271 V CB 1.868 33.812 31.823 0.201 0.000 0.983 271 V HN 0.861 nan 8.190 nan 0.000 0.460 272 D N 3.316 123.992 120.400 0.459 0.000 2.380 272 D HA 0.107 4.747 4.640 -0.000 0.000 0.230 272 D C 1.308 177.732 176.300 0.207 0.000 1.154 272 D CA 0.017 54.285 54.000 0.446 0.000 0.859 272 D CB 1.688 42.764 40.800 0.460 0.000 1.045 272 D HN 0.748 nan 8.370 nan 0.000 0.495 273 T N 1.331 115.961 114.554 0.126 0.000 3.085 273 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 273 T C 1.602 176.343 174.700 0.069 0.000 1.127 273 T CA 0.392 62.556 62.100 0.106 0.000 1.103 273 T CB 0.016 68.988 68.868 0.174 0.000 0.921 273 T HN 0.304 nan 8.240 nan 0.000 0.510 274 R N 1.360 121.873 120.500 0.023 0.000 2.148 274 R HA -0.014 4.325 4.340 -0.000 0.000 0.227 274 R C 2.372 178.699 176.300 0.046 0.000 1.103 274 R CA 1.672 57.780 56.100 0.013 0.000 0.983 274 R CB -0.475 29.811 30.300 -0.023 0.000 0.874 274 R HN 0.666 nan 8.270 nan 0.000 0.451 275 T N -1.927 112.670 114.554 0.072 0.000 3.122 275 T HA 0.171 4.520 4.350 -0.000 0.000 0.250 275 T C 0.416 175.160 174.700 0.073 0.000 1.067 275 T CA -0.383 61.763 62.100 0.076 0.000 0.966 275 T CB 0.081 69.007 68.868 0.095 0.000 1.002 275 T HN -0.149 nan 8.240 nan 0.000 0.542 276 L N 2.777 124.044 121.223 0.072 0.000 2.513 276 L HA 0.516 4.855 4.340 -0.000 0.000 0.272 276 L C 0.339 177.246 176.870 0.062 0.000 1.187 276 L CA 0.564 55.444 54.840 0.068 0.000 0.895 276 L CB 0.338 42.437 42.059 0.066 0.000 1.147 276 L HN 0.392 nan 8.230 nan 0.000 0.483 277 S N 4.632 120.370 115.700 0.064 0.000 2.543 277 S HA 0.510 4.979 4.470 -0.000 0.000 0.274 277 S C -2.078 172.562 174.600 0.066 0.000 1.149 277 S CA -0.779 57.456 58.200 0.059 0.000 0.866 277 S CB 1.651 64.882 63.200 0.051 0.000 1.111 277 S HN 0.424 nan 8.310 nan 0.000 0.457 278 P HA -0.089 nan 4.420 nan 0.000 0.217 278 P C 0.444 177.781 177.300 0.063 0.000 1.148 278 P CA 1.262 64.406 63.100 0.074 0.000 0.828 278 P CB -0.037 31.702 31.700 0.066 0.000 0.783 279 N N -0.545 118.183 118.700 0.047 0.000 2.268 279 N HA 0.216 4.956 4.740 -0.000 0.000 0.204 279 N C 0.405 175.933 175.510 0.030 0.000 1.124 279 N CA 0.057 53.127 53.050 0.033 0.000 0.838 279 N CB 0.633 39.136 38.487 0.027 0.000 0.994 279 N HN 0.151 nan 8.380 nan 0.000 0.489 280 A N 0.477 123.322 122.820 0.042 0.000 2.337 280 A HA 0.601 4.921 4.320 -0.000 0.000 0.331 280 A C 0.541 178.153 177.584 0.047 0.000 1.137 280 A CA -0.540 51.523 52.037 0.043 0.000 0.807 280 A CB 1.006 20.038 19.000 0.053 0.000 1.250 280 A HN 0.167 nan 8.150 nan 0.000 0.468 281 S N 0.160 115.885 115.700 0.041 0.000 2.634 281 S HA 0.509 4.978 4.470 -0.000 0.000 0.261 281 S C 0.028 174.670 174.600 0.070 0.000 1.271 281 S CA -0.514 57.710 58.200 0.040 0.000 0.985 281 S CB 0.703 63.919 63.200 0.027 0.000 0.968 281 S HN 0.809 nan 8.310 nan 0.000 0.568 282 V N 1.572 121.533 119.914 0.079 0.000 2.498 282 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 282 V C 0.356 176.515 176.094 0.107 0.000 1.048 282 V CA -0.418 61.937 62.300 0.092 0.000 0.967 282 V CB 1.111 32.984 31.823 0.084 0.000 0.988 282 V HN 1.009 nan 8.190 nan 0.000 0.473 283 T N 4.866 119.504 114.554 0.139 0.000 2.727 283 T HA 0.475 4.825 4.350 -0.000 0.000 0.298 283 T C 0.061 174.904 174.700 0.239 0.000 0.942 283 T CA -0.189 62.023 62.100 0.187 0.000 0.997 283 T CB 0.432 69.426 68.868 0.211 0.000 0.917 283 T HN 0.921 nan 8.240 nan 0.000 0.487 284 S N 3.208 119.054 115.700 0.244 0.000 2.588 284 S HA 0.715 5.185 4.470 -0.000 0.000 0.275 284 S C -1.651 173.177 174.600 0.380 0.000 1.130 284 S CA -0.990 57.384 58.200 0.291 0.000 0.855 284 S CB 1.693 64.996 63.200 0.172 0.000 1.116 284 S HN 0.584 nan 8.310 nan 0.000 0.472 285 Y N 1.146 121.621 120.300 0.292 0.000 2.406 285 Y HA 0.499 5.048 4.550 -0.001 0.000 0.340 285 Y C -0.471 175.568 175.900 0.232 0.000 0.975 285 Y CA -0.471 57.804 58.100 0.292 0.000 1.056 285 Y CB 1.901 40.605 38.460 0.407 0.000 1.210 285 Y HN 0.929 nan 8.280 nan 0.000 0.448 286 Q N 6.467 126.051 119.800 -0.362 0.000 2.274 286 Q HA 0.471 4.811 4.340 -0.000 0.000 0.256 286 Q C -1.225 174.527 176.000 -0.413 0.000 0.927 286 Q CA -0.444 55.107 55.803 -0.419 0.000 0.939 286 Q CB 0.703 29.179 28.738 -0.436 0.000 1.201 286 Q HN 0.759 nan 8.270 nan 0.000 0.426 287 I N 4.668 125.190 120.570 -0.080 0.000 2.315 287 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 287 I C -0.314 175.823 176.117 0.033 0.000 1.006 287 I CA -0.762 60.602 61.300 0.106 0.000 1.265 287 I CB 1.349 39.499 38.000 0.251 0.000 1.387 287 I HN 0.359 nan 8.210 nan 0.000 0.475 288 V N 7.972 127.832 119.914 -0.090 0.000 2.716 288 V HA 0.390 4.509 4.120 -0.000 0.000 0.304 288 V C -1.876 173.917 176.094 -0.501 0.000 1.053 288 V CA -1.603 60.532 62.300 -0.275 0.000 0.984 288 V CB 1.297 32.966 31.823 -0.256 0.000 1.021 288 V HN 0.619 nan 8.190 nan 0.000 0.467 289 P HA 0.275 nan 4.420 nan 0.000 0.272 289 P C -2.788 174.090 177.300 -0.703 0.000 1.240 289 P CA -1.550 60.673 63.100 -1.463 0.000 0.791 289 P CB -0.168 30.183 31.700 -2.249 0.000 0.978 290 P HA -0.023 nan 4.420 nan 0.000 0.269 290 P C 0.857 177.995 177.300 -0.269 0.000 1.217 290 P CA 0.285 63.231 63.100 -0.257 0.000 0.783 290 P CB 0.056 31.675 31.700 -0.135 0.000 0.898 291 A N 1.937 124.646 122.820 -0.185 0.000 1.986 291 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 291 A C 2.046 179.526 177.584 -0.172 0.000 1.171 291 A CA 2.313 54.247 52.037 -0.172 0.000 0.640 291 A CB -1.712 17.218 19.000 -0.118 0.000 0.811 291 A HN 0.621 nan 8.150 nan 0.000 0.451 292 S N -1.147 114.468 115.700 -0.142 0.000 2.474 292 S HA -0.014 4.455 4.470 -0.000 0.000 0.235 292 S C 1.442 175.889 174.600 -0.255 0.000 0.997 292 S CA 1.309 59.403 58.200 -0.177 0.000 0.949 292 S CB -0.198 62.956 63.200 -0.077 0.000 0.766 292 S HN 0.268 nan 8.310 nan 0.000 0.517 293 V N 0.722 120.500 119.914 -0.227 0.000 2.908 293 V HA 0.255 4.374 4.120 -0.000 0.000 0.240 293 V C 2.131 178.008 176.094 -0.361 0.000 1.117 293 V CA 0.368 62.517 62.300 -0.252 0.000 1.133 293 V CB -0.380 31.303 31.823 -0.234 0.000 0.857 293 V HN 0.413 nan 8.190 nan 0.000 0.478 294 L N 0.111 121.058 121.223 -0.459 0.000 2.189 294 L HA -0.208 4.131 4.340 -0.000 0.000 0.214 294 L C 2.319 179.067 176.870 -0.202 0.000 1.097 294 L CA 1.768 56.347 54.840 -0.436 0.000 0.764 294 L CB -0.201 41.635 42.059 -0.371 0.000 0.900 294 L HN 0.317 nan 8.230 nan 0.000 0.436 295 I N -0.489 119.976 120.570 -0.175 0.000 2.248 295 I HA -0.203 3.966 4.170 -0.000 0.000 0.248 295 I C 1.388 177.461 176.117 -0.074 0.000 1.107 295 I CA 1.308 62.538 61.300 -0.118 0.000 1.373 295 I CB -0.510 37.412 38.000 -0.130 0.000 1.055 295 I HN 0.369 nan 8.210 nan 0.000 0.418 296 G N -0.984 107.784 108.800 -0.054 0.000 3.086 296 G HA2 0.284 4.244 3.960 -0.000 0.000 0.282 296 G HA3 0.284 4.244 3.960 -0.000 0.000 0.282 296 G C -1.379 173.544 174.900 0.038 0.000 1.343 296 G CA -0.458 44.627 45.100 -0.025 0.000 0.895 296 G HN -0.095 nan 8.290 nan 0.000 0.557 297 D N 1.003 121.377 120.400 -0.042 0.000 2.472 297 D HA 0.367 5.007 4.640 -0.000 0.000 0.237 297 D C 0.407 176.620 176.300 -0.145 0.000 1.141 297 D CA 0.817 54.735 54.000 -0.136 0.000 0.875 297 D CB 0.384 41.078 40.800 -0.177 0.000 1.192 297 D HN 0.535 nan 8.370 nan 0.000 0.450 298 H N -0.968 117.955 119.070 -0.245 0.000 2.948 298 H HA 0.426 4.982 4.556 -0.001 0.000 0.315 298 H C -1.429 173.786 175.328 -0.188 0.000 1.360 298 H CA -0.818 55.090 56.048 -0.233 0.000 1.125 298 H CB 0.301 30.046 29.762 -0.029 0.000 1.844 298 H HN 0.280 nan 8.280 nan 0.000 0.529 299 Y N 0.219 120.764 120.300 0.409 0.000 2.512 299 Y HA 0.391 4.941 4.550 -0.001 0.000 0.348 299 Y C -0.306 175.955 175.900 0.603 0.000 0.990 299 Y CA -1.162 57.195 58.100 0.429 0.000 1.033 299 Y CB 1.970 40.511 38.460 0.135 0.000 1.259 299 Y HN 0.513 nan 8.280 nan 0.000 0.461 300 L N 3.411 125.087 121.223 0.754 0.000 2.265 300 L HA 0.438 4.778 4.340 -0.000 0.000 0.288 300 L C 0.391 177.481 176.870 0.366 0.000 1.058 300 L CA -0.249 54.684 54.840 0.156 0.000 0.809 300 L CB 0.450 42.477 42.059 -0.052 0.000 1.179 300 L HN 0.956 nan 8.230 nan 0.000 0.429 301 C N 1.782 121.138 119.300 0.092 0.000 3.491 301 C HA 0.860 5.320 4.460 -0.000 0.000 0.298 301 C C 0.626 175.588 174.990 -0.048 0.000 1.424 301 C CA 0.004 59.136 59.018 0.190 0.000 1.772 301 C CB -0.824 27.009 27.740 0.156 0.000 2.447 301 C HN 0.962 nan 8.230 nan 0.000 0.670 302 G N 0.121 108.734 108.800 -0.312 0.000 2.702 302 G HA2 0.578 4.538 3.960 -0.000 0.000 0.296 302 G HA3 0.578 4.538 3.960 -0.000 0.000 0.296 302 G C -1.882 172.585 174.900 -0.721 0.000 1.463 302 G CA -0.206 44.623 45.100 -0.452 0.000 0.890 302 G HN 0.407 nan 8.290 nan 0.000 0.534 303 V N 0.806 120.227 119.914 -0.822 0.000 2.668 303 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 303 V C -0.466 175.172 176.094 -0.760 0.000 1.071 303 V CA -0.672 60.978 62.300 -1.082 0.000 0.894 303 V CB 2.068 32.745 31.823 -1.910 0.000 1.008 303 V HN 0.884 nan 8.190 nan 0.000 0.425 304 T N 3.378 117.557 114.554 -0.624 0.000 2.949 304 T HA 0.358 4.708 4.350 -0.000 0.000 0.300 304 T C -0.895 173.591 174.700 -0.356 0.000 0.988 304 T CA -0.386 61.507 62.100 -0.345 0.000 0.993 304 T CB 0.822 69.580 68.868 -0.184 0.000 0.984 304 T HN 0.547 nan 8.240 nan 0.000 0.442 305 W N 2.806 124.024 121.300 -0.136 0.000 2.266 305 W HA 0.334 4.994 4.660 -0.001 0.000 0.317 305 W C 1.120 177.560 176.519 -0.131 0.000 1.310 305 W CA -0.382 56.907 57.345 -0.094 0.000 1.207 305 W CB 0.700 30.189 29.460 0.048 0.000 1.199 305 W HN 0.467 nan 8.180 nan 0.000 0.544 306 V N 1.822 121.758 119.914 0.037 0.000 2.581 306 V HA 0.072 4.192 4.120 -0.000 0.000 0.240 306 V C 0.909 177.063 176.094 0.100 0.000 1.054 306 V CA 1.539 63.756 62.300 -0.138 0.000 1.076 306 V CB -0.258 31.230 31.823 -0.559 0.000 0.748 306 V HN 0.670 nan 8.190 nan 0.000 0.474 307 T N -4.362 110.317 114.554 0.208 0.000 2.681 307 T HA 0.354 4.704 4.350 -0.000 0.000 0.296 307 T C 0.418 175.304 174.700 0.311 0.000 1.157 307 T CA -0.470 61.759 62.100 0.216 0.000 1.025 307 T CB 1.910 70.882 68.868 0.174 0.000 1.441 307 T HN -0.093 nan 8.240 nan 0.000 0.504 308 E N 0.469 120.806 120.200 0.229 0.000 2.333 308 E HA -0.027 4.323 4.350 -0.000 0.000 0.198 308 E C 0.853 177.748 176.600 0.492 0.000 1.007 308 E CA 1.054 57.604 56.400 0.249 0.000 0.845 308 E CB 0.069 29.858 29.700 0.148 0.000 0.766 308 E HN 0.758 nan 8.360 nan 0.000 0.507 309 E N -0.180 120.275 120.200 0.425 0.000 2.758 309 E HA 0.163 4.513 4.350 -0.000 0.000 0.215 309 E C 0.127 176.985 176.600 0.430 0.000 0.985 309 E CA -0.174 56.458 56.400 0.387 0.000 1.102 309 E CB 1.024 30.861 29.700 0.228 0.000 1.042 309 E HN -0.125 nan 8.360 nan 0.000 0.480 310 R N 1.554 122.371 120.500 0.528 0.000 2.533 310 R HA 0.504 4.843 4.340 -0.000 0.000 0.288 310 R C -1.842 174.579 176.300 0.202 0.000 1.039 310 R CA -0.437 55.865 56.100 0.337 0.000 0.909 310 R CB 1.345 31.720 30.300 0.124 0.000 1.195 310 R HN 0.072 nan 8.270 nan 0.000 0.438 311 I N 2.324 122.871 120.570 -0.038 0.000 2.608 311 I HA 0.409 4.578 4.170 -0.000 0.000 0.295 311 I C -1.196 174.632 176.117 -0.482 0.000 1.049 311 I CA -0.526 60.463 61.300 -0.517 0.000 1.063 311 I CB 2.381 39.691 38.000 -1.151 0.000 1.248 311 I HN 0.666 nan 8.210 nan 0.000 0.424 312 S N 7.467 122.818 115.700 -0.581 0.000 2.449 312 S HA 0.655 5.125 4.470 -0.000 0.000 0.310 312 S C -0.984 173.273 174.600 -0.572 0.000 1.096 312 S CA -0.650 57.273 58.200 -0.462 0.000 1.095 312 S CB 0.641 63.628 63.200 -0.354 0.000 1.007 312 S HN 0.501 nan 8.310 nan 0.000 0.474 313 L N 4.278 125.187 121.223 -0.523 0.000 2.329 313 L HA 0.578 4.917 4.340 -0.000 0.000 0.279 313 L C -0.084 176.459 176.870 -0.545 0.000 1.014 313 L CA -0.654 53.747 54.840 -0.731 0.000 0.814 313 L CB 1.934 43.514 42.059 -0.798 0.000 1.257 313 L HN 0.625 nan 8.230 nan 0.000 0.424 314 Q N 2.054 121.469 119.800 -0.642 0.000 2.333 314 Q HA 0.417 4.757 4.340 -0.000 0.000 0.268 314 Q C -1.903 173.869 176.000 -0.379 0.000 1.007 314 Q CA -0.554 55.031 55.803 -0.363 0.000 0.810 314 Q CB 1.585 30.158 28.738 -0.276 0.000 1.264 314 Q HN 0.474 nan 8.270 nan 0.000 0.452 315 W N 3.740 125.005 121.300 -0.058 0.000 2.799 315 W HA 0.705 5.365 4.660 -0.001 0.000 0.349 315 W C -0.657 175.914 176.519 0.086 0.000 1.100 315 W CA -0.667 56.697 57.345 0.031 0.000 1.174 315 W CB 1.369 30.818 29.460 -0.018 0.000 1.427 315 W HN 0.517 nan 8.180 nan 0.000 0.547 316 I N 1.280 122.112 120.570 0.437 0.000 2.722 316 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 316 I C -0.245 176.060 176.117 0.313 0.000 1.161 316 I CA -1.101 60.403 61.300 0.340 0.000 1.032 316 I CB 1.463 39.637 38.000 0.290 0.000 1.244 316 I HN 0.424 nan 8.210 nan 0.000 0.421 317 R N 4.217 124.864 120.500 0.245 0.000 2.707 317 R HA 0.249 4.589 4.340 -0.000 0.000 0.270 317 R C 1.058 177.369 176.300 0.019 0.000 1.083 317 R CA -0.264 55.900 56.100 0.106 0.000 1.182 317 R CB 0.495 30.831 30.300 0.061 0.000 1.084 317 R HN 0.598 nan 8.270 nan 0.000 0.528 318 R N 1.238 121.650 120.500 -0.148 0.000 2.105 318 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 318 R C 0.069 176.374 176.300 0.008 0.000 1.135 318 R CA 1.642 57.606 56.100 -0.227 0.000 0.967 318 R CB -0.032 30.121 30.300 -0.245 0.000 0.861 318 R HN 0.637 nan 8.270 nan 0.000 0.442 319 A N 1.465 124.292 122.820 0.010 0.000 2.415 319 A HA 0.115 4.435 4.320 -0.000 0.000 0.309 319 A C -0.280 177.352 177.584 0.080 0.000 1.356 319 A CA -0.360 51.698 52.037 0.034 0.000 0.998 319 A CB 0.489 19.499 19.000 0.016 0.000 1.145 319 A HN 0.454 nan 8.150 nan 0.000 0.545 320 Q N 1.731 121.583 119.800 0.087 0.000 2.292 320 Q HA -0.033 4.307 4.340 -0.000 0.000 0.235 320 Q C 0.575 176.650 176.000 0.126 0.000 0.910 320 Q CA 0.108 55.983 55.803 0.120 0.000 0.952 320 Q CB -0.123 28.661 28.738 0.077 0.000 1.089 320 Q HN 0.870 nan 8.270 nan 0.000 0.431 321 N N -0.868 117.905 118.700 0.121 0.000 2.184 321 N HA -0.061 4.679 4.740 -0.000 0.000 0.206 321 N C -0.942 174.653 175.510 0.142 0.000 1.151 321 N CA -0.140 52.968 53.050 0.097 0.000 0.878 321 N CB 0.340 38.861 38.487 0.057 0.000 1.014 321 N HN 0.188 nan 8.380 nan 0.000 0.512 322 Y N 0.562 120.885 120.300 0.039 0.000 2.329 322 Y HA 0.593 5.143 4.550 -0.000 0.000 0.328 322 Y C -1.068 174.869 175.900 0.061 0.000 0.992 322 Y CA -1.087 57.035 58.100 0.038 0.000 1.151 322 Y CB 1.521 39.993 38.460 0.020 0.000 1.150 322 Y HN -0.005 nan 8.280 nan 0.000 0.450 323 S N 6.606 122.206 115.700 -0.167 0.000 2.568 323 S HA 0.796 5.266 4.470 -0.000 0.000 0.293 323 S C -1.665 172.834 174.600 -0.168 0.000 1.089 323 S CA -0.644 57.534 58.200 -0.036 0.000 0.945 323 S CB 1.075 64.278 63.200 0.004 0.000 1.077 323 S HN 0.737 nan 8.310 nan 0.000 0.485 324 I N 3.363 123.939 120.570 0.011 0.000 2.752 324 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 324 I C -1.655 174.500 176.117 0.062 0.000 1.219 324 I CA -0.950 60.355 61.300 0.007 0.000 1.030 324 I CB 1.617 39.660 38.000 0.071 0.000 1.259 324 I HN 0.669 nan 8.210 nan 0.000 0.423 325 I N 5.644 126.224 120.570 0.017 0.000 2.377 325 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 325 I C -1.119 175.028 176.117 0.050 0.000 0.987 325 I CA -0.301 60.985 61.300 -0.022 0.000 1.185 325 I CB 1.571 39.483 38.000 -0.146 0.000 1.341 325 I HN 0.448 nan 8.210 nan 0.000 0.455 326 D N 7.345 127.766 120.400 0.034 0.000 2.481 326 D HA 0.437 5.077 4.640 -0.000 0.000 0.246 326 D C -0.739 175.552 176.300 -0.016 0.000 1.109 326 D CA -0.278 53.749 54.000 0.045 0.000 0.845 326 D CB 1.174 42.034 40.800 0.100 0.000 1.160 326 D HN 0.250 nan 8.370 nan 0.000 0.534 327 I N 4.057 124.642 120.570 0.025 0.000 2.306 327 I HA 0.273 4.442 4.170 -0.000 0.000 0.288 327 I C -0.213 175.919 176.117 0.025 0.000 1.036 327 I CA -0.662 60.635 61.300 -0.005 0.000 1.221 327 I CB 0.798 38.848 38.000 0.084 0.000 1.385 327 I HN 0.254 nan 8.210 nan 0.000 0.472 328 C N 4.522 123.834 119.300 0.020 0.000 2.350 328 C HA 0.415 4.874 4.460 -0.000 0.000 0.348 328 C C 0.024 175.160 174.990 0.244 0.000 1.260 328 C CA -0.699 58.399 59.018 0.134 0.000 1.966 328 C CB 0.552 28.400 27.740 0.181 0.000 2.380 328 C HN 0.581 nan 8.230 nan 0.000 0.535 329 D N 0.808 121.305 120.400 0.161 0.000 2.192 329 D HA 0.228 4.868 4.640 -0.000 0.000 0.246 329 D C -0.521 175.689 176.300 -0.151 0.000 1.042 329 D CA -0.208 53.840 54.000 0.081 0.000 0.847 329 D CB 1.084 41.897 40.800 0.020 0.000 1.186 329 D HN 0.585 nan 8.370 nan 0.000 0.461 330 Y N 1.580 121.512 120.300 -0.614 0.000 2.425 330 Y HA 0.129 4.679 4.550 -0.001 0.000 0.331 330 Y C 0.024 175.593 175.900 -0.551 0.000 1.157 330 Y CA -0.060 57.352 58.100 -1.147 0.000 1.372 330 Y CB 0.666 38.310 38.460 -1.360 0.000 1.253 330 Y HN 0.157 nan 8.280 nan 0.000 0.536 331 D N 5.253 125.014 120.400 -1.066 0.000 2.454 331 D HA 0.133 4.773 4.640 -0.000 0.000 0.225 331 D C 0.406 176.134 176.300 -0.954 0.000 1.081 331 D CA -0.169 53.398 54.000 -0.722 0.000 0.864 331 D CB 0.626 41.125 40.800 -0.502 0.000 1.040 331 D HN 0.780 nan 8.370 nan 0.000 0.517 332 E N 1.219 121.032 120.200 -0.645 0.000 2.219 332 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 332 E C 1.486 177.938 176.600 -0.247 0.000 0.998 332 E CA 1.196 57.364 56.400 -0.385 0.000 0.818 332 E CB 0.119 29.789 29.700 -0.050 0.000 0.741 332 E HN 0.536 nan 8.360 nan 0.000 0.477 333 S N -0.324 115.237 115.700 -0.232 0.000 2.527 333 S HA -0.033 4.437 4.470 -0.000 0.000 0.222 333 S C 1.792 176.308 174.600 -0.141 0.000 0.985 333 S CA 1.023 59.140 58.200 -0.139 0.000 0.921 333 S CB 0.137 63.274 63.200 -0.105 0.000 0.772 333 S HN 0.298 nan 8.310 nan 0.000 0.529 334 T N -4.677 109.739 114.554 -0.231 0.000 3.009 334 T HA 0.539 4.888 4.350 -0.000 0.000 0.267 334 T C 1.542 176.131 174.700 -0.185 0.000 0.942 334 T CA 0.595 62.593 62.100 -0.171 0.000 0.883 334 T CB 0.072 68.840 68.868 -0.166 0.000 1.192 334 T HN 1.095 nan 8.240 nan 0.000 0.524 335 G N 2.303 110.886 108.800 -0.362 0.000 2.184 335 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 335 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 335 G C 0.254 174.948 174.900 -0.344 0.000 0.975 335 G CA 0.146 45.124 45.100 -0.204 0.000 0.642 335 G HN 0.710 nan 8.290 nan 0.000 0.536 336 R N -1.172 118.978 120.500 -0.583 0.000 2.615 336 R HA 0.414 4.754 4.340 -0.000 0.000 0.270 336 R C -0.602 175.127 176.300 -0.951 0.000 1.081 336 R CA -0.133 55.419 56.100 -0.914 0.000 1.154 336 R CB 0.474 30.378 30.300 -0.660 0.000 1.063 336 R HN 0.218 nan 8.270 nan 0.000 0.519 337 W N 2.294 123.035 121.300 -0.932 0.000 2.296 337 W HA 0.398 5.058 4.660 -0.001 0.000 0.316 337 W C -0.370 176.035 176.519 -0.191 0.000 1.022 337 W CA -0.298 56.864 57.345 -0.304 0.000 1.324 337 W CB 0.634 30.059 29.460 -0.058 0.000 1.227 337 W HN 0.292 nan 8.180 nan 0.000 0.409 338 I N 3.888 124.435 120.570 -0.038 0.000 2.396 338 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 338 I C 0.736 176.882 176.117 0.049 0.000 0.999 338 I CA -0.337 60.960 61.300 -0.005 0.000 1.310 338 I CB 1.038 38.990 38.000 -0.080 0.000 1.404 338 I HN 0.331 nan 8.210 nan 0.000 0.496 339 S N 3.926 119.658 115.700 0.053 0.000 2.718 339 S HA 0.853 5.323 4.470 -0.000 0.000 0.300 339 S C -0.372 174.237 174.600 0.015 0.000 1.117 339 S CA -0.652 57.572 58.200 0.041 0.000 1.002 339 S CB 1.931 65.154 63.200 0.039 0.000 1.092 339 S HN 0.702 nan 8.310 nan 0.000 0.542 340 S N -0.366 115.338 115.700 0.008 0.000 2.537 340 S HA 0.432 4.901 4.470 -0.000 0.000 0.270 340 S C 0.470 175.058 174.600 -0.020 0.000 1.142 340 S CA -0.656 57.540 58.200 -0.006 0.000 0.870 340 S CB 0.805 64.005 63.200 -0.002 0.000 1.112 340 S HN 0.589 nan 8.310 nan 0.000 0.466 341 V N 2.072 121.968 119.914 -0.030 0.000 2.324 341 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 341 V C 3.061 179.113 176.094 -0.070 0.000 1.060 341 V CA 2.664 64.936 62.300 -0.047 0.000 1.042 341 V CB -1.591 30.209 31.823 -0.040 0.000 0.650 341 V HN 1.065 nan 8.190 nan 0.000 0.450 342 A N -0.390 122.400 122.820 -0.050 0.000 2.024 342 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 342 A C 2.252 179.790 177.584 -0.076 0.000 1.164 342 A CA 1.754 53.758 52.037 -0.054 0.000 0.643 342 A CB -0.462 18.529 19.000 -0.015 0.000 0.806 342 A HN 0.516 nan 8.150 nan 0.000 0.451 343 R N -0.352 120.125 120.500 -0.040 0.000 2.426 343 R HA 0.163 4.503 4.340 -0.000 0.000 0.263 343 R C -0.372 175.907 176.300 -0.035 0.000 0.961 343 R CA 0.009 56.127 56.100 0.029 0.000 1.086 343 R CB 0.196 30.551 30.300 0.091 0.000 1.186 343 R HN 0.636 nan 8.270 nan 0.000 0.537 344 Q N -0.278 119.388 119.800 -0.223 0.000 2.312 344 Q HA 0.289 4.629 4.340 -0.000 0.000 0.263 344 Q C -1.126 174.611 176.000 -0.438 0.000 0.995 344 Q CA -0.646 55.053 55.803 -0.173 0.000 0.853 344 Q CB 2.122 30.808 28.738 -0.087 0.000 1.300 344 Q HN 0.221 nan 8.270 nan 0.000 0.448 345 H N 1.039 120.110 119.070 0.002 0.000 2.823 345 H HA 0.400 4.956 4.556 -0.001 0.000 0.332 345 H C -0.811 174.478 175.328 -0.066 0.000 0.980 345 H CA -0.380 55.664 56.048 -0.005 0.000 1.286 345 H CB 0.941 30.689 29.762 -0.024 0.000 1.541 345 H HN 0.440 nan 8.280 nan 0.000 0.521 346 I N 2.229 122.798 120.570 -0.002 0.000 2.428 346 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 346 I C 0.233 176.277 176.117 -0.121 0.000 1.019 346 I CA -0.026 61.186 61.300 -0.146 0.000 1.351 346 I CB 1.075 38.965 38.000 -0.183 0.000 1.412 346 I HN 0.607 nan 8.210 nan 0.000 0.513 347 E N 7.908 127.979 120.200 -0.214 0.000 2.255 347 E HA 0.523 4.872 4.350 -0.000 0.000 0.256 347 E C -1.320 175.175 176.600 -0.175 0.000 0.887 347 E CA -0.592 55.737 56.400 -0.117 0.000 0.782 347 E CB 1.561 31.229 29.700 -0.053 0.000 1.214 347 E HN 0.634 nan 8.360 nan 0.000 0.417 348 I N 0.431 120.933 120.570 -0.113 0.000 3.067 348 I HA 0.725 4.894 4.170 -0.000 0.000 0.312 348 I C -0.908 175.196 176.117 -0.022 0.000 1.073 348 I CA -0.803 60.454 61.300 -0.070 0.000 1.016 348 I CB 2.343 40.326 38.000 -0.028 0.000 1.227 348 I HN 0.335 nan 8.210 nan 0.000 0.456 349 S N 0.622 116.314 115.700 -0.014 0.000 2.557 349 S HA 0.486 4.955 4.470 -0.000 0.000 0.291 349 S C 0.302 174.885 174.600 -0.029 0.000 1.116 349 S CA 0.051 58.232 58.200 -0.033 0.000 0.992 349 S CB 1.422 64.566 63.200 -0.094 0.000 1.028 349 S HN 0.893 nan 8.310 nan 0.000 0.484 350 T N 0.056 114.597 114.554 -0.020 0.000 3.014 350 T HA 0.063 4.412 4.350 -0.000 0.000 0.250 350 T C 1.517 176.200 174.700 -0.029 0.000 1.060 350 T CA 0.841 62.933 62.100 -0.014 0.000 1.040 350 T CB -0.364 68.503 68.868 -0.001 0.000 0.971 350 T HN 0.668 nan 8.240 nan 0.000 0.497 351 T N -1.907 112.628 114.554 -0.032 0.000 3.037 351 T HA 0.603 4.953 4.350 -0.000 0.000 0.251 351 T C 1.196 175.786 174.700 -0.184 0.000 1.079 351 T CA 0.434 62.525 62.100 -0.015 0.000 1.067 351 T CB 0.329 69.257 68.868 0.100 0.000 0.948 351 T HN 0.628 nan 8.240 nan 0.000 0.496 352 G N 0.509 109.040 108.800 -0.449 0.000 2.704 352 G HA2 0.448 4.408 3.960 -0.000 0.000 0.118 352 G HA3 0.448 4.408 3.960 -0.000 0.000 0.118 352 G C -1.689 172.929 174.900 -0.470 0.000 1.197 352 G CA -0.470 44.182 45.100 -0.746 0.000 1.152 352 G HN 0.513 nan 8.290 nan 0.000 0.571 353 W N 0.235 121.210 121.300 -0.541 0.000 2.390 353 W HA 0.783 5.443 4.660 -0.001 0.000 0.362 353 W C -0.421 176.022 176.519 -0.127 0.000 1.206 353 W CA -1.361 55.829 57.345 -0.258 0.000 1.355 353 W CB 0.926 30.227 29.460 -0.264 0.000 1.278 353 W HN 0.276 nan 8.180 nan 0.000 0.653 354 V N 3.417 123.393 119.914 0.104 0.000 2.432 354 V HA 0.663 4.783 4.120 -0.000 0.000 0.275 354 V C 0.872 177.055 176.094 0.148 0.000 1.043 354 V CA 0.599 62.934 62.300 0.058 0.000 0.925 354 V CB -0.017 31.845 31.823 0.063 0.000 0.985 354 V HN 1.307 nan 8.190 nan 0.000 0.466 355 G N 5.499 114.342 108.800 0.070 0.000 2.725 355 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 355 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 355 G C 0.345 175.342 174.900 0.163 0.000 1.357 355 G CA 0.346 45.511 45.100 0.109 0.000 0.866 355 G HN 0.625 nan 8.290 nan 0.000 0.548 356 R N -1.409 119.168 120.500 0.129 0.000 2.048 356 R HA 0.294 4.633 4.340 -0.000 0.000 0.224 356 R C 2.247 178.467 176.300 -0.134 0.000 1.163 356 R CA 1.922 58.027 56.100 0.010 0.000 0.956 356 R CB -0.110 30.162 30.300 -0.046 0.000 0.849 356 R HN 0.420 nan 8.270 nan 0.000 0.435 357 F N -0.404 119.688 119.950 0.238 0.000 2.667 357 F HA 0.257 4.784 4.527 -0.001 0.000 0.288 357 F C 0.712 176.572 175.800 0.101 0.000 1.086 357 F CA -0.219 57.874 58.000 0.155 0.000 1.297 357 F CB 0.608 39.704 39.000 0.161 0.000 1.059 357 F HN -0.111 nan 8.300 nan 0.000 0.624 358 R N 0.131 120.796 120.500 0.275 0.000 2.764 358 R HA 0.446 4.786 4.340 -0.000 0.000 0.270 358 R C -3.290 173.105 176.300 0.159 0.000 1.014 358 R CA -1.870 54.338 56.100 0.181 0.000 0.904 358 R CB 0.671 31.064 30.300 0.156 0.000 1.236 358 R HN -0.309 nan 8.270 nan 0.000 0.466 359 P HA 0.028 nan 4.420 nan 0.000 0.266 359 P C -0.256 177.088 177.300 0.073 0.000 1.195 359 P CA 0.081 63.230 63.100 0.082 0.000 0.768 359 P CB 0.495 32.222 31.700 0.045 0.000 0.838 360 A N 3.191 126.058 122.820 0.078 0.000 2.466 360 A HA 0.090 4.410 4.320 -0.000 0.000 0.238 360 A C 0.455 178.062 177.584 0.038 0.000 1.074 360 A CA -0.085 52.008 52.037 0.093 0.000 0.774 360 A CB -0.211 18.860 19.000 0.119 0.000 1.015 360 A HN 0.561 nan 8.150 nan 0.000 0.498 361 E N 1.810 122.034 120.200 0.041 0.000 2.277 361 E HA 0.351 4.701 4.350 -0.000 0.000 0.274 361 E C -2.373 174.162 176.600 -0.109 0.000 1.022 361 E CA -1.798 54.559 56.400 -0.072 0.000 0.853 361 E CB 0.983 30.621 29.700 -0.103 0.000 1.086 361 E HN 0.524 nan 8.360 nan 0.000 0.397 362 P HA 0.072 nan 4.420 nan 0.000 0.279 362 P C -0.990 176.099 177.300 -0.352 0.000 1.239 362 P CA 0.065 62.941 63.100 -0.373 0.000 0.789 362 P CB 0.791 31.934 31.700 -0.928 0.000 0.933 363 H N 2.832 121.877 119.070 -0.041 0.000 2.638 363 H HA 0.297 4.853 4.556 -0.000 0.000 0.317 363 H C -0.210 175.197 175.328 0.130 0.000 1.006 363 H CA -0.289 55.829 56.048 0.116 0.000 1.222 363 H CB 0.363 30.224 29.762 0.165 0.000 1.419 363 H HN 0.318 nan 8.280 nan 0.000 0.489 364 F N 1.464 121.572 119.950 0.264 0.000 2.377 364 F HA 0.112 4.638 4.527 -0.000 0.000 0.328 364 F C 1.530 177.500 175.800 0.282 0.000 1.094 364 F CA -0.580 57.589 58.000 0.282 0.000 1.093 364 F CB 1.069 40.167 39.000 0.163 0.000 1.214 364 F HN 0.358 nan 8.300 nan 0.000 0.518 365 T N -1.790 113.051 114.554 0.479 0.000 2.813 365 T HA 0.069 4.419 4.350 -0.000 0.000 0.297 365 T C 1.284 176.162 174.700 0.296 0.000 1.036 365 T CA -0.361 61.950 62.100 0.351 0.000 1.044 365 T CB 1.235 70.289 68.868 0.309 0.000 0.993 365 T HN 0.590 nan 8.240 nan 0.000 0.535 366 S N 0.750 116.583 115.700 0.220 0.000 2.374 366 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 366 S C 1.755 176.458 174.600 0.172 0.000 1.037 366 S CA 1.892 60.200 58.200 0.180 0.000 1.024 366 S CB -0.870 62.414 63.200 0.140 0.000 0.861 366 S HN 0.924 nan 8.310 nan 0.000 0.456 367 D N -0.807 119.695 120.400 0.170 0.000 2.317 367 D HA 0.070 4.709 4.640 -0.000 0.000 0.211 367 D C 1.396 177.801 176.300 0.174 0.000 0.966 367 D CA 0.932 55.023 54.000 0.152 0.000 0.876 367 D CB -0.569 40.312 40.800 0.134 0.000 0.927 367 D HN 0.566 nan 8.370 nan 0.000 0.519 368 G N 1.423 110.365 108.800 0.237 0.000 2.155 368 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 368 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 368 G C 0.643 175.735 174.900 0.319 0.000 0.983 368 G CA 0.485 45.754 45.100 0.282 0.000 0.676 368 G HN 0.452 nan 8.290 nan 0.000 0.528 369 N N -0.117 118.741 118.700 0.264 0.000 2.463 369 N HA 0.295 5.035 4.740 -0.000 0.000 0.181 369 N C 0.961 176.602 175.510 0.219 0.000 1.078 369 N CA 0.825 54.005 53.050 0.217 0.000 0.902 369 N CB 0.237 38.814 38.487 0.149 0.000 0.970 369 N HN 0.718 nan 8.380 nan 0.000 0.451 370 S N -0.455 115.402 115.700 0.262 0.000 2.625 370 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 370 S C -1.277 173.407 174.600 0.140 0.000 1.161 370 S CA -1.092 57.169 58.200 0.103 0.000 0.820 370 S CB 1.420 64.649 63.200 0.048 0.000 1.137 370 S HN 0.154 nan 8.310 nan 0.000 0.470 371 F N -1.728 118.056 119.950 -0.278 0.000 2.668 371 F HA 0.829 5.356 4.527 -0.000 0.000 0.309 371 F C -2.313 173.263 175.800 -0.373 0.000 1.117 371 F CA -1.481 56.258 58.000 -0.434 0.000 0.951 371 F CB 0.607 38.848 39.000 -1.265 0.000 1.323 371 F HN 0.603 nan 8.300 nan 0.000 0.451 372 Y N 1.361 121.762 120.300 0.167 0.000 2.377 372 Y HA 0.698 5.248 4.550 -0.001 0.000 0.339 372 Y C -0.282 175.771 175.900 0.255 0.000 1.011 372 Y CA -0.957 57.237 58.100 0.157 0.000 1.093 372 Y CB 2.144 40.649 38.460 0.074 0.000 1.201 372 Y HN 0.777 nan 8.280 nan 0.000 0.455 373 K N 3.094 123.715 120.400 0.368 0.000 2.543 373 K HA 0.513 4.833 4.320 -0.000 0.000 0.255 373 K C -1.732 175.022 176.600 0.256 0.000 0.934 373 K CA -0.553 55.913 56.287 0.298 0.000 0.810 373 K CB 1.570 34.199 32.500 0.214 0.000 1.315 373 K HN 0.742 nan 8.250 nan 0.000 0.433 374 I N 6.216 126.906 120.570 0.200 0.000 2.533 374 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 374 I C 0.313 176.535 176.117 0.174 0.000 1.109 374 I CA -0.148 61.255 61.300 0.171 0.000 1.412 374 I CB 0.207 38.281 38.000 0.123 0.000 1.396 374 I HN 0.512 nan 8.210 nan 0.000 0.543 375 I N 1.407 122.114 120.570 0.227 0.000 3.102 375 I HA 0.478 4.647 4.170 -0.000 0.000 0.310 375 I C -0.469 175.778 176.117 0.216 0.000 1.246 375 I CA -0.828 60.596 61.300 0.207 0.000 0.979 375 I CB 2.151 40.297 38.000 0.242 0.000 1.267 375 I HN 0.233 nan 8.210 nan 0.000 0.451 376 S N 2.696 118.465 115.700 0.115 0.000 2.549 376 S HA 0.245 4.715 4.470 -0.000 0.000 0.279 376 S C 0.140 174.804 174.600 0.107 0.000 1.321 376 S CA -0.322 57.895 58.200 0.029 0.000 1.054 376 S CB 0.120 63.284 63.200 -0.060 0.000 0.899 376 S HN 0.590 nan 8.310 nan 0.000 0.497 377 N N 1.794 120.455 118.700 -0.064 0.000 2.263 377 N HA 0.093 4.833 4.740 -0.000 0.000 0.239 377 N C 0.965 176.445 175.510 -0.050 0.000 1.317 377 N CA -0.218 52.705 53.050 -0.213 0.000 0.909 377 N CB 0.204 38.510 38.487 -0.302 0.000 1.171 377 N HN 0.497 nan 8.380 nan 0.000 0.492 378 E N 0.095 120.266 120.200 -0.048 0.000 2.427 378 E HA -0.081 4.268 4.350 -0.000 0.000 0.196 378 E C 0.800 177.380 176.600 -0.034 0.000 1.028 378 E CA 0.593 56.988 56.400 -0.010 0.000 0.864 378 E CB 0.045 29.746 29.700 0.002 0.000 0.813 378 E HN 0.621 nan 8.360 nan 0.000 0.514 379 E N -0.726 119.446 120.200 -0.046 0.000 2.472 379 E HA 0.069 4.418 4.350 -0.000 0.000 0.196 379 E C 0.688 177.275 176.600 -0.021 0.000 1.033 379 E CA 0.556 56.962 56.400 0.010 0.000 0.886 379 E CB 0.213 29.952 29.700 0.064 0.000 0.944 379 E HN 0.201 nan 8.360 nan 0.000 0.492 380 G N 0.323 109.059 108.800 -0.107 0.000 2.141 380 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.231 380 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.231 380 G C -0.558 174.067 174.900 -0.458 0.000 0.984 380 G CA 0.219 45.150 45.100 -0.281 0.000 0.660 380 G HN 0.229 nan 8.290 nan 0.000 0.525 381 Y N 0.686 120.863 120.300 -0.206 0.000 2.341 381 Y HA 0.541 5.091 4.550 -0.000 0.000 0.337 381 Y C 0.870 176.579 175.900 -0.318 0.000 1.014 381 Y CA -0.839 57.106 58.100 -0.258 0.000 1.111 381 Y CB 1.300 39.621 38.460 -0.232 0.000 1.194 381 Y HN -0.013 nan 8.280 nan 0.000 0.462 382 K N 4.687 124.932 120.400 -0.258 0.000 2.349 382 K HA 0.219 4.538 4.320 -0.000 0.000 0.289 382 K C -0.747 175.563 176.600 -0.483 0.000 1.064 382 K CA -0.037 56.108 56.287 -0.236 0.000 0.947 382 K CB 0.185 32.605 32.500 -0.134 0.000 1.007 382 K HN 0.646 nan 8.250 nan 0.000 0.478 383 H N 1.400 120.408 119.070 -0.103 0.000 2.949 383 H HA 0.343 4.899 4.556 -0.001 0.000 0.356 383 H C -0.093 175.301 175.328 0.111 0.000 1.212 383 H CA -0.956 55.004 56.048 -0.147 0.000 1.136 383 H CB 1.448 30.953 29.762 -0.428 0.000 1.869 383 H HN 0.337 nan 8.280 nan 0.000 0.556 384 I N 1.397 122.059 120.570 0.154 0.000 2.452 384 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 384 I C 0.433 176.654 176.117 0.173 0.000 1.079 384 I CA 0.194 61.567 61.300 0.123 0.000 1.387 384 I CB 0.267 38.230 38.000 -0.063 0.000 1.404 384 I HN 0.147 nan 8.210 nan 0.000 0.522 385 c N 6.886 125.507 118.600 0.036 0.000 2.411 385 c HA 0.326 4.895 4.570 -0.000 0.000 0.330 385 c C 0.063 173.977 174.090 -0.294 0.000 1.224 385 c CA -0.437 55.648 56.329 -0.408 0.000 1.770 385 c CB 0.741 42.693 42.510 -0.930 0.000 2.297 385 c HN 0.763 nan 8.230 nan 0.000 0.507 386 H N 3.927 122.651 119.070 -0.577 0.000 2.552 386 H HA 0.478 5.033 4.556 -0.000 0.000 0.311 386 H C -1.308 173.518 175.328 -0.838 0.000 1.071 386 H CA -0.205 55.439 56.048 -0.673 0.000 1.307 386 H CB 0.507 29.985 29.762 -0.474 0.000 1.416 386 H HN 0.588 nan 8.280 nan 0.000 0.464 387 F N 2.522 121.766 119.950 -1.177 0.000 2.492 387 F HA 0.168 4.695 4.527 -0.000 0.000 0.327 387 F C 0.134 175.247 175.800 -1.145 0.000 1.079 387 F CA -0.865 56.373 58.000 -1.271 0.000 0.967 387 F CB 1.869 39.675 39.000 -1.989 0.000 1.169 387 F HN 0.508 nan 8.300 nan 0.000 0.472 388 Q N 0.716 120.211 119.800 -0.509 0.000 2.278 388 Q HA 0.286 4.626 4.340 -0.000 0.000 0.257 388 Q C 0.873 176.866 176.000 -0.012 0.000 0.928 388 Q CA 0.056 55.699 55.803 -0.267 0.000 0.932 388 Q CB 1.663 30.296 28.738 -0.174 0.000 1.221 388 Q HN 0.765 nan 8.270 nan 0.000 0.434 389 T N 2.096 116.721 114.554 0.118 0.000 2.760 389 T HA -0.210 4.139 4.350 -0.000 0.000 0.269 389 T C 0.156 175.093 174.700 0.396 0.000 1.047 389 T CA 1.980 64.295 62.100 0.358 0.000 1.139 389 T CB -0.105 68.981 68.868 0.362 0.000 0.855 389 T HN 0.766 nan 8.240 nan 0.000 0.471 390 D N -0.595 119.942 120.400 0.228 0.000 2.501 390 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 390 D C 0.008 176.359 176.300 0.084 0.000 1.202 390 D CA -0.378 53.709 54.000 0.146 0.000 0.829 390 D CB 0.307 41.160 40.800 0.087 0.000 1.023 390 D HN 0.064 nan 8.370 nan 0.000 0.499 391 K N 0.119 120.597 120.400 0.130 0.000 2.371 391 K HA 0.326 4.645 4.320 -0.000 0.000 0.251 391 K C 0.584 177.251 176.600 0.111 0.000 0.934 391 K CA -0.459 55.858 56.287 0.050 0.000 0.798 391 K CB 2.023 34.514 32.500 -0.016 0.000 1.204 391 K HN 0.022 nan 8.250 nan 0.000 0.427 392 S N 0.451 116.168 115.700 0.029 0.000 2.470 392 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 392 S C 0.515 175.148 174.600 0.056 0.000 1.006 392 S CA 0.113 58.355 58.200 0.071 0.000 0.934 392 S CB -0.563 62.632 63.200 -0.009 0.000 0.778 392 S HN 0.734 nan 8.310 nan 0.000 0.517 393 N N 1.285 119.948 118.700 -0.061 0.000 2.514 393 N HA 0.469 5.208 4.740 -0.000 0.000 0.277 393 N C -0.093 175.192 175.510 -0.375 0.000 1.126 393 N CA -0.550 52.394 53.050 -0.178 0.000 0.978 393 N CB 1.019 39.417 38.487 -0.148 0.000 1.106 393 N HN 0.487 nan 8.380 nan 0.000 0.461 394 c N -0.133 118.099 118.600 -0.613 0.000 2.771 394 c HA 0.783 5.353 4.570 -0.000 0.000 0.333 394 c C -0.348 173.319 174.090 -0.705 0.000 1.267 394 c CA -0.662 55.076 56.329 -0.985 0.000 1.721 394 c CB 1.186 42.434 42.510 -2.102 0.000 2.222 394 c HN 0.726 nan 8.230 nan 0.000 0.485 395 T N 1.855 116.032 114.554 -0.629 0.000 2.840 395 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 395 T C -0.821 173.664 174.700 -0.357 0.000 0.991 395 T CA 0.113 61.997 62.100 -0.360 0.000 0.964 395 T CB 0.433 69.235 68.868 -0.109 0.000 0.954 395 T HN 0.485 nan 8.240 nan 0.000 0.438 396 F N 3.502 123.330 119.950 -0.204 0.000 2.538 396 F HA 0.230 4.757 4.527 -0.000 0.000 0.371 396 F C 1.655 177.287 175.800 -0.279 0.000 1.087 396 F CA -0.857 57.009 58.000 -0.223 0.000 1.250 396 F CB 0.376 39.251 39.000 -0.208 0.000 1.110 396 F HN 0.576 nan 8.300 nan 0.000 0.570 397 I N -0.270 120.177 120.570 -0.206 0.000 3.956 397 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 397 I C 0.061 176.002 176.117 -0.292 0.000 1.302 397 I CA 0.117 61.060 61.300 -0.594 0.000 1.122 397 I CB -0.074 37.230 38.000 -1.161 0.000 1.013 397 I HN 0.494 nan 8.210 nan 0.000 0.405 398 T N -0.070 114.366 114.554 -0.196 0.000 2.883 398 T HA 0.705 5.054 4.350 -0.000 0.000 0.301 398 T C -0.796 173.525 174.700 -0.633 0.000 1.158 398 T CA -0.693 61.267 62.100 -0.233 0.000 1.007 398 T CB 2.785 71.559 68.868 -0.156 0.000 1.186 398 T HN 0.339 nan 8.240 nan 0.000 0.499 399 K N -0.022 119.854 120.400 -0.875 0.000 2.642 399 K HA 0.778 5.098 4.320 -0.000 0.000 0.290 399 K C -0.425 175.547 176.600 -1.047 0.000 1.006 399 K CA -0.417 55.024 56.287 -1.411 0.000 0.869 399 K CB 1.281 33.351 32.500 -0.716 0.000 1.499 399 K HN 1.954 nan 8.250 nan 0.000 0.403 400 G N -0.765 107.453 108.800 -0.971 0.000 2.334 400 G HA2 0.401 4.361 3.960 -0.000 0.000 0.566 400 G HA3 0.401 4.361 3.960 -0.000 0.000 0.566 400 G C -1.097 173.300 174.900 -0.838 0.000 1.413 400 G CA -0.289 44.434 45.100 -0.629 0.000 0.993 400 G HN 1.025 nan 8.290 nan 0.000 0.642 401 A N 1.485 123.971 122.820 -0.556 0.000 3.048 401 A HA 0.603 4.922 4.320 -0.000 0.000 0.264 401 A C 0.440 177.855 177.584 -0.280 0.000 1.796 401 A CA 0.903 52.413 52.037 -0.879 0.000 1.445 401 A CB -1.268 17.485 19.000 -0.412 0.000 1.074 401 A HN 1.826 nan 8.150 nan 0.000 0.621 402 W N -0.946 120.178 121.300 -0.293 0.000 2.799 402 W HA 0.612 5.271 4.660 -0.000 0.000 0.416 402 W C -1.157 175.360 176.519 -0.002 0.000 1.108 402 W CA -0.765 56.576 57.345 -0.007 0.000 1.169 402 W CB 0.303 29.757 29.460 -0.009 0.000 1.471 402 W HN 0.270 nan 8.180 nan 0.000 0.586 403 E N 0.608 121.007 120.200 0.332 0.000 2.367 403 E HA 0.472 4.822 4.350 -0.000 0.000 0.273 403 E C -1.297 175.433 176.600 0.216 0.000 0.903 403 E CA -1.135 55.253 56.400 -0.019 0.000 0.764 403 E CB 3.348 33.070 29.700 0.036 0.000 1.252 403 E HN 0.159 nan 8.360 nan 0.000 0.446 404 V N 3.324 123.237 119.914 -0.002 0.000 2.498 404 V HA 0.044 4.164 4.120 -0.000 0.000 0.279 404 V C 1.032 177.228 176.094 0.171 0.000 1.048 404 V CA -0.134 62.271 62.300 0.174 0.000 0.967 404 V CB 0.796 32.628 31.823 0.015 0.000 0.988 404 V HN 0.672 nan 8.190 nan 0.000 0.473 405 I N 2.976 123.675 120.570 0.216 0.000 2.429 405 I HA 0.276 4.446 4.170 -0.000 0.000 0.247 405 I C 1.118 177.358 176.117 0.206 0.000 1.099 405 I CA 1.129 62.554 61.300 0.208 0.000 1.422 405 I CB -0.858 37.215 38.000 0.122 0.000 1.112 405 I HN 0.746 nan 8.210 nan 0.000 0.430 406 G N 0.525 109.444 108.800 0.199 0.000 2.632 406 G HA2 0.553 4.513 3.960 -0.000 0.000 0.292 406 G HA3 0.553 4.513 3.960 -0.000 0.000 0.292 406 G C -1.305 173.683 174.900 0.147 0.000 1.465 406 G CA -0.546 44.661 45.100 0.179 0.000 0.824 406 G HN -0.043 nan 8.290 nan 0.000 0.509 407 I N 1.574 122.159 120.570 0.025 0.000 2.325 407 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 407 I C 0.821 176.824 176.117 -0.190 0.000 1.019 407 I CA -0.545 60.652 61.300 -0.172 0.000 1.302 407 I CB 1.837 39.490 38.000 -0.578 0.000 1.401 407 I HN 0.503 nan 8.210 nan 0.000 0.485 408 E N 4.691 124.860 120.200 -0.052 0.000 2.127 408 E HA 0.253 4.603 4.350 -0.000 0.000 0.191 408 E C 0.183 176.703 176.600 -0.133 0.000 0.964 408 E CA 0.410 56.814 56.400 0.007 0.000 0.832 408 E CB 0.662 30.449 29.700 0.146 0.000 0.790 408 E HN 0.724 nan 8.360 nan 0.000 0.465 409 A N 0.234 122.871 122.820 -0.306 0.000 2.612 409 A HA 0.620 4.939 4.320 -0.000 0.000 0.293 409 A C -1.899 175.594 177.584 -0.152 0.000 1.075 409 A CA -0.612 51.217 52.037 -0.347 0.000 0.680 409 A CB 1.340 19.744 19.000 -0.993 0.000 1.279 409 A HN 0.052 nan 8.150 nan 0.000 0.411 410 L N 1.148 122.343 121.223 -0.047 0.000 2.464 410 L HA 0.831 5.171 4.340 -0.000 0.000 0.266 410 L C 0.006 176.908 176.870 0.054 0.000 0.965 410 L CA 0.474 55.313 54.840 -0.002 0.000 0.833 410 L CB 2.245 44.321 42.059 0.028 0.000 1.296 410 L HN 1.235 nan 8.230 nan 0.000 0.405 411 T N -0.391 114.202 114.554 0.064 0.000 2.858 411 T HA 0.436 4.785 4.350 -0.000 0.000 0.285 411 T C 0.971 175.696 174.700 0.042 0.000 1.052 411 T CA 0.041 62.193 62.100 0.087 0.000 1.009 411 T CB 1.189 70.146 68.868 0.149 0.000 1.241 411 T HN 0.645 nan 8.240 nan 0.000 0.542 412 S N 0.017 115.741 115.700 0.040 0.000 2.419 412 S HA -0.101 4.369 4.470 -0.000 0.000 0.233 412 S C 0.922 175.473 174.600 -0.082 0.000 1.016 412 S CA 1.170 59.376 58.200 0.010 0.000 0.974 412 S CB -0.495 62.718 63.200 0.022 0.000 0.786 412 S HN 0.757 nan 8.310 nan 0.000 0.492 413 D N -0.596 119.704 120.400 -0.167 0.000 2.422 413 D HA 0.248 4.888 4.640 -0.000 0.000 0.218 413 D C -0.269 175.582 176.300 -0.747 0.000 1.047 413 D CA 0.545 54.256 54.000 -0.482 0.000 0.885 413 D CB 0.273 40.679 40.800 -0.656 0.000 1.035 413 D HN 0.441 nan 8.370 nan 0.000 0.502 414 Y N -0.203 120.031 120.300 -0.110 0.000 2.605 414 Y HA 0.546 5.096 4.550 -0.001 0.000 0.343 414 Y C -0.551 175.180 175.900 -0.283 0.000 1.036 414 Y CA -1.133 56.824 58.100 -0.238 0.000 1.065 414 Y CB 2.470 40.697 38.460 -0.389 0.000 1.288 414 Y HN -0.297 nan 8.280 nan 0.000 0.481 415 L N 1.894 123.001 121.223 -0.194 0.000 2.409 415 L HA 0.600 4.939 4.340 -0.000 0.000 0.272 415 L C -1.995 174.747 176.870 -0.213 0.000 0.980 415 L CA -0.611 54.099 54.840 -0.218 0.000 0.826 415 L CB 1.188 43.039 42.059 -0.347 0.000 1.268 415 L HN 0.623 nan 8.230 nan 0.000 0.407 416 Y N 4.717 124.917 120.300 -0.166 0.000 2.341 416 Y HA 0.551 5.101 4.550 -0.001 0.000 0.337 416 Y C -0.432 175.451 175.900 -0.028 0.000 1.014 416 Y CA -0.390 57.612 58.100 -0.164 0.000 1.111 416 Y CB 1.366 39.560 38.460 -0.443 0.000 1.194 416 Y HN 0.528 nan 8.280 nan 0.000 0.462 417 Y N 0.210 120.557 120.300 0.079 0.000 2.615 417 Y HA 0.830 5.380 4.550 -0.001 0.000 0.341 417 Y C -1.616 174.364 175.900 0.134 0.000 1.089 417 Y CA -1.917 56.221 58.100 0.064 0.000 1.049 417 Y CB 1.273 39.745 38.460 0.019 0.000 1.296 417 Y HN 0.395 nan 8.280 nan 0.000 0.470 418 I N 2.957 123.663 120.570 0.227 0.000 2.441 418 I HA 0.610 4.779 4.170 -0.000 0.000 0.295 418 I C -0.409 175.843 176.117 0.225 0.000 0.994 418 I CA -0.509 60.877 61.300 0.143 0.000 1.144 418 I CB 1.967 40.041 38.000 0.124 0.000 1.314 418 I HN 0.874 nan 8.210 nan 0.000 0.445 419 S N 3.349 119.128 115.700 0.132 0.000 2.638 419 S HA 0.390 4.860 4.470 -0.000 0.000 0.274 419 S C -0.553 174.069 174.600 0.037 0.000 1.157 419 S CA -0.877 57.406 58.200 0.140 0.000 0.826 419 S CB 1.759 65.066 63.200 0.179 0.000 1.139 419 S HN 0.652 nan 8.310 nan 0.000 0.474 420 N N -0.171 118.564 118.700 0.059 0.000 2.321 420 N HA 0.138 4.877 4.740 -0.000 0.000 0.242 420 N C 0.598 176.074 175.510 -0.058 0.000 1.141 420 N CA -0.159 52.890 53.050 -0.002 0.000 0.864 420 N CB 0.234 38.720 38.487 -0.002 0.000 1.100 420 N HN 0.832 nan 8.380 nan 0.000 0.510 421 E N 0.308 120.314 120.200 -0.323 0.000 2.072 421 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 421 E C -0.118 176.320 176.600 -0.270 0.000 0.985 421 E CA 0.434 56.399 56.400 -0.725 0.000 0.801 421 E CB -0.194 28.421 29.700 -1.808 0.000 0.750 421 E HN 0.486 nan 8.360 nan 0.000 0.452 422 H N 1.050 120.029 119.070 -0.153 0.000 3.167 422 H HA -0.069 4.487 4.556 -0.001 0.000 0.306 422 H C 0.034 175.334 175.328 -0.046 0.000 0.965 422 H CA 1.151 57.164 56.048 -0.059 0.000 1.408 422 H CB 0.198 29.952 29.762 -0.013 0.000 1.406 422 H HN 0.099 nan 8.280 nan 0.000 0.576 423 K N 2.928 123.107 120.400 -0.369 0.000 3.130 423 K HA -0.195 4.125 4.320 -0.000 0.000 0.282 423 K C 0.978 177.557 176.600 -0.034 0.000 1.145 423 K CA 1.156 57.303 56.287 -0.234 0.000 0.831 423 K CB -1.567 30.780 32.500 -0.255 0.000 1.226 423 K HN 1.084 nan 8.250 nan 0.000 0.478 424 G N -0.146 108.641 108.800 -0.022 0.000 2.321 424 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.287 424 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.287 424 G C 0.042 175.013 174.900 0.118 0.000 1.018 424 G CA 0.695 45.843 45.100 0.079 0.000 0.855 424 G HN 0.342 nan 8.290 nan 0.000 0.507 425 M N 0.980 120.557 119.600 -0.039 0.000 2.111 425 M HA 0.202 4.681 4.480 -0.000 0.000 0.351 425 M C -0.729 175.350 176.300 -0.368 0.000 1.214 425 M CA -2.124 52.977 55.300 -0.331 0.000 1.120 425 M CB 1.447 33.893 32.600 -0.257 0.000 1.443 425 M HN -0.042 nan 8.290 nan 0.000 0.429 426 P HA -0.109 nan 4.420 nan 0.000 0.221 426 P C 0.946 178.100 177.300 -0.243 0.000 1.145 426 P CA 1.283 64.233 63.100 -0.250 0.000 0.795 426 P CB 0.071 31.655 31.700 -0.194 0.000 0.775 427 G N -0.759 107.819 108.800 -0.371 0.000 3.141 427 G HA2 0.299 4.259 3.960 -0.000 0.000 0.218 427 G HA3 0.299 4.259 3.960 -0.000 0.000 0.218 427 G C 0.682 175.580 174.900 -0.004 0.000 1.170 427 G CA 0.130 45.139 45.100 -0.152 0.000 0.769 427 G HN 0.442 nan 8.290 nan 0.000 0.546 428 G N -0.255 108.486 108.800 -0.099 0.000 2.471 428 G HA2 0.662 4.622 3.960 -0.000 0.000 0.332 428 G HA3 0.662 4.622 3.960 -0.000 0.000 0.332 428 G C -0.850 173.931 174.900 -0.198 0.000 1.176 428 G CA -0.759 44.319 45.100 -0.036 0.000 0.949 428 G HN 0.085 nan 8.290 nan 0.000 0.488 429 R N 0.810 121.168 120.500 -0.237 0.000 2.548 429 R HA 0.423 4.762 4.340 -0.000 0.000 0.280 429 R C -1.338 174.958 176.300 -0.007 0.000 1.061 429 R CA -0.788 55.155 56.100 -0.261 0.000 0.915 429 R CB 2.155 32.051 30.300 -0.674 0.000 1.210 429 R HN 0.626 nan 8.270 nan 0.000 0.442 430 N N 1.542 120.262 118.700 0.034 0.000 2.329 430 N HA 0.315 5.054 4.740 -0.000 0.000 0.282 430 N C -1.362 174.110 175.510 -0.063 0.000 1.198 430 N CA -0.817 52.200 53.050 -0.055 0.000 0.790 430 N CB 2.742 41.111 38.487 -0.197 0.000 1.579 430 N HN 0.244 nan 8.380 nan 0.000 0.475 431 L N 2.270 123.318 121.223 -0.292 0.000 2.276 431 L HA 0.472 4.812 4.340 -0.000 0.000 0.286 431 L C -1.423 175.212 176.870 -0.391 0.000 1.061 431 L CA 0.012 54.713 54.840 -0.231 0.000 0.807 431 L CB -0.211 41.693 42.059 -0.259 0.000 1.177 431 L HN 0.391 nan 8.230 nan 0.000 0.429 432 Y N 4.192 124.178 120.300 -0.523 0.000 2.562 432 Y HA 0.658 5.208 4.550 -0.001 0.000 0.343 432 Y C -0.130 175.489 175.900 -0.468 0.000 1.025 432 Y CA -0.825 56.928 58.100 -0.578 0.000 1.082 432 Y CB 1.558 39.476 38.460 -0.903 0.000 1.264 432 Y HN 0.522 nan 8.280 nan 0.000 0.478 433 R N 2.986 123.372 120.500 -0.190 0.000 2.513 433 R HA 0.685 5.025 4.340 -0.000 0.000 0.301 433 R C -1.886 174.352 176.300 -0.104 0.000 0.968 433 R CA -0.594 55.298 56.100 -0.345 0.000 0.872 433 R CB 1.450 31.388 30.300 -0.604 0.000 1.177 433 R HN 0.907 nan 8.270 nan 0.000 0.444 434 I N 2.705 123.269 120.570 -0.010 0.000 2.569 434 I HA 0.286 4.456 4.170 -0.000 0.000 0.296 434 I C -0.743 175.458 176.117 0.140 0.000 1.028 434 I CA -0.827 60.547 61.300 0.123 0.000 1.082 434 I CB 2.239 40.351 38.000 0.187 0.000 1.264 434 I HN 0.663 nan 8.210 nan 0.000 0.429 435 Q N 5.355 125.254 119.800 0.165 0.000 2.295 435 Q HA 0.177 4.517 4.340 -0.000 0.000 0.259 435 Q C 0.370 176.393 176.000 0.037 0.000 0.976 435 Q CA -0.620 55.217 55.803 0.056 0.000 0.923 435 Q CB 1.631 30.395 28.738 0.043 0.000 1.185 435 Q HN 0.608 nan 8.270 nan 0.000 0.410 436 L N 2.994 124.169 121.223 -0.079 0.000 2.275 436 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 436 L C 1.573 178.394 176.870 -0.082 0.000 1.119 436 L CA 1.598 56.447 54.840 0.016 0.000 0.790 436 L CB -0.741 41.273 42.059 -0.076 0.000 0.919 436 L HN 0.690 nan 8.230 nan 0.000 0.443 437 N N -1.899 116.701 118.700 -0.167 0.000 2.353 437 N HA -0.013 4.726 4.740 -0.000 0.000 0.185 437 N C -0.264 175.079 175.510 -0.278 0.000 1.098 437 N CA 0.277 53.202 53.050 -0.209 0.000 0.872 437 N CB 0.142 38.536 38.487 -0.155 0.000 0.970 437 N HN 0.228 nan 8.380 nan 0.000 0.467 438 D N -0.891 119.354 120.400 -0.259 0.000 2.312 438 D HA 0.106 4.746 4.640 -0.000 0.000 0.229 438 D C -0.780 175.484 176.300 -0.060 0.000 1.337 438 D CA -0.599 53.263 54.000 -0.232 0.000 0.964 438 D CB -0.021 40.714 40.800 -0.108 0.000 1.456 438 D HN -0.060 nan 8.370 nan 0.000 0.547 439 Y N 1.432 121.728 120.300 -0.007 0.000 2.716 439 Y HA 0.022 4.572 4.550 -0.001 0.000 0.302 439 Y C 2.201 178.116 175.900 0.026 0.000 1.160 439 Y CA 0.580 58.686 58.100 0.009 0.000 1.362 439 Y CB -0.749 37.714 38.460 0.006 0.000 0.988 439 Y HN 0.359 nan 8.280 nan 0.000 0.546 440 T N -0.729 113.900 114.554 0.126 0.000 3.014 440 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 440 T C 0.830 175.583 174.700 0.089 0.000 1.078 440 T CA 0.620 62.774 62.100 0.089 0.000 1.135 440 T CB -0.029 68.863 68.868 0.040 0.000 0.895 440 T HN 0.169 nan 8.240 nan 0.000 0.480 441 K N 2.468 122.922 120.400 0.090 0.000 2.296 441 K HA 0.442 4.762 4.320 -0.000 0.000 0.257 441 K C -1.255 175.412 176.600 0.111 0.000 1.088 441 K CA -0.185 56.153 56.287 0.085 0.000 0.980 441 K CB 1.194 33.734 32.500 0.067 0.000 1.430 441 K HN 0.033 nan 8.250 nan 0.000 0.441 442 V N 2.363 122.348 119.914 0.119 0.000 2.417 442 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 442 V C 0.022 176.175 176.094 0.099 0.000 1.024 442 V CA -0.677 61.712 62.300 0.149 0.000 0.861 442 V CB 1.780 33.736 31.823 0.221 0.000 0.985 442 V HN 0.586 nan 8.190 nan 0.000 0.436 443 T N 3.164 117.740 114.554 0.037 0.000 2.829 443 T HA 0.284 4.633 4.350 -0.000 0.000 0.280 443 T C -0.481 174.113 174.700 -0.177 0.000 0.999 443 T CA -0.320 61.744 62.100 -0.060 0.000 0.983 443 T CB 1.441 70.247 68.868 -0.104 0.000 0.968 443 T HN 0.784 nan 8.240 nan 0.000 0.446 444 C N 5.392 124.486 119.300 -0.344 0.000 2.246 444 C HA 0.445 4.904 4.460 -0.000 0.000 0.329 444 C C 1.723 176.381 174.990 -0.554 0.000 1.221 444 C CA -0.679 57.862 59.018 -0.796 0.000 1.697 444 C CB -2.019 25.085 27.740 -1.059 0.000 2.312 444 C HN 1.007 nan 8.230 nan 0.000 0.509 445 L N 4.431 125.348 121.223 -0.510 0.000 2.313 445 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 445 L C 2.287 178.891 176.870 -0.444 0.000 1.119 445 L CA 1.431 56.050 54.840 -0.368 0.000 0.809 445 L CB -0.234 41.652 42.059 -0.288 0.000 0.933 445 L HN 0.905 nan 8.230 nan 0.000 0.449 446 S N -3.203 112.122 115.700 -0.624 0.000 2.554 446 S HA -0.031 4.438 4.470 -0.000 0.000 0.227 446 S C 1.947 176.204 174.600 -0.572 0.000 1.050 446 S CA -0.010 57.728 58.200 -0.770 0.000 0.927 446 S CB -0.357 61.996 63.200 -1.411 0.000 0.859 446 S HN 0.304 nan 8.310 nan 0.000 0.494 447 C N 2.118 121.059 119.300 -0.599 0.000 2.369 447 C HA -0.096 4.364 4.460 -0.000 0.000 0.273 447 C C 2.252 177.057 174.990 -0.309 0.000 1.172 447 C CA 1.639 60.292 59.018 -0.608 0.000 1.791 447 C CB -1.125 26.032 27.740 -0.972 0.000 2.086 447 C HN 0.609 nan 8.230 nan 0.000 0.459 448 E N -0.306 119.752 120.200 -0.236 0.000 2.499 448 E HA 0.240 4.590 4.350 -0.000 0.000 0.199 448 E C 1.645 178.210 176.600 -0.059 0.000 1.016 448 E CA -0.090 56.250 56.400 -0.101 0.000 0.933 448 E CB -0.168 29.480 29.700 -0.087 0.000 1.050 448 E HN 0.566 nan 8.360 nan 0.000 0.462 449 L N -0.291 120.896 121.223 -0.060 0.000 2.072 449 L HA 0.000 4.340 4.340 -0.000 0.000 0.205 449 L C 0.017 176.907 176.870 0.032 0.000 1.079 449 L CA 0.967 55.804 54.840 -0.005 0.000 0.752 449 L CB -0.021 42.044 42.059 0.010 0.000 0.906 449 L HN 0.067 nan 8.230 nan 0.000 0.436 450 N N -1.783 116.953 118.700 0.060 0.000 2.732 450 N HA 0.076 4.816 4.740 -0.000 0.000 0.230 450 N C -2.085 173.454 175.510 0.048 0.000 1.487 450 N CA -0.567 52.506 53.050 0.040 0.000 0.765 450 N CB 0.865 39.368 38.487 0.026 0.000 1.384 450 N HN -0.116 nan 8.380 nan 0.000 0.530 451 P HA -0.231 nan 4.420 nan 0.000 0.217 451 P C 0.507 177.841 177.300 0.056 0.000 1.148 451 P CA 1.539 64.681 63.100 0.070 0.000 0.834 451 P CB 0.599 32.342 31.700 0.071 0.000 0.783 452 E N -0.505 119.712 120.200 0.028 0.000 2.122 452 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 452 E C 2.285 178.883 176.600 -0.003 0.000 0.977 452 E CA 0.583 56.991 56.400 0.015 0.000 0.820 452 E CB -0.333 29.369 29.700 0.004 0.000 0.770 452 E HN 0.337 nan 8.360 nan 0.000 0.462 453 R N -0.067 120.420 120.500 -0.021 0.000 2.173 453 R HA 0.069 4.409 4.340 -0.000 0.000 0.208 453 R C -0.056 176.191 176.300 -0.088 0.000 1.035 453 R CA 0.501 56.566 56.100 -0.057 0.000 1.004 453 R CB 0.391 30.647 30.300 -0.074 0.000 0.917 453 R HN -0.000 nan 8.270 nan 0.000 0.462 454 c N 1.071 119.624 118.600 -0.077 0.000 2.356 454 c HA 0.411 4.981 4.570 -0.000 0.000 0.324 454 c C -0.091 173.970 174.090 -0.047 0.000 1.167 454 c CA -0.696 55.515 56.329 -0.197 0.000 1.420 454 c CB 1.320 43.629 42.510 -0.335 0.000 2.036 454 c HN 0.510 nan 8.230 nan 0.000 0.435 455 Q N 0.419 120.203 119.800 -0.026 0.000 2.103 455 Q HA 0.211 4.551 4.340 -0.000 0.000 0.219 455 Q C -0.930 175.163 176.000 0.154 0.000 0.784 455 Q CA 0.071 55.944 55.803 0.116 0.000 1.014 455 Q CB 1.295 30.104 28.738 0.117 0.000 1.183 455 Q HN 0.786 nan 8.270 nan 0.000 0.469 456 Y N 0.426 120.676 120.300 -0.083 0.000 2.344 456 Y HA 0.385 4.935 4.550 -0.001 0.000 0.328 456 Y C -1.729 174.141 175.900 -0.049 0.000 1.067 456 Y CA -1.114 56.993 58.100 0.012 0.000 1.247 456 Y CB 0.748 39.233 38.460 0.042 0.000 1.113 456 Y HN -0.080 nan 8.280 nan 0.000 0.465 457 Y N 2.076 122.405 120.300 0.048 0.000 2.562 457 Y HA 0.696 5.246 4.550 -0.001 0.000 0.343 457 Y C 0.164 176.121 175.900 0.096 0.000 1.025 457 Y CA -0.709 57.410 58.100 0.033 0.000 1.082 457 Y CB 2.357 40.767 38.460 -0.082 0.000 1.264 457 Y HN 0.486 nan 8.280 nan 0.000 0.478 458 S N 0.874 116.777 115.700 0.338 0.000 2.667 458 S HA 0.993 5.463 4.470 -0.000 0.000 0.292 458 S C -1.163 173.573 174.600 0.226 0.000 1.126 458 S CA -0.523 57.866 58.200 0.315 0.000 0.881 458 S CB 2.097 65.582 63.200 0.474 0.000 1.132 458 S HN 1.072 nan 8.310 nan 0.000 0.492 459 A N 0.385 123.337 122.820 0.219 0.000 2.556 459 A HA 0.877 5.197 4.320 -0.000 0.000 0.294 459 A C -0.728 176.998 177.584 0.238 0.000 1.091 459 A CA -0.636 51.501 52.037 0.167 0.000 0.704 459 A CB 1.606 20.652 19.000 0.077 0.000 1.300 459 A HN 1.447 nan 8.150 nan 0.000 0.406 460 S N 0.466 116.289 115.700 0.206 0.000 2.733 460 S HA 0.703 5.173 4.470 -0.000 0.000 0.294 460 S C -1.477 173.333 174.600 0.351 0.000 1.149 460 S CA -0.354 58.061 58.200 0.358 0.000 1.034 460 S CB -0.069 63.364 63.200 0.389 0.000 1.015 460 S HN 0.466 nan 8.310 nan 0.000 0.486 461 F N 3.140 123.207 119.950 0.195 0.000 2.379 461 F HA 0.480 5.006 4.527 -0.001 0.000 0.332 461 F C 1.359 176.834 175.800 -0.541 0.000 1.096 461 F CA -0.340 57.614 58.000 -0.076 0.000 1.105 461 F CB 1.564 40.467 39.000 -0.162 0.000 1.189 461 F HN 0.651 nan 8.300 nan 0.000 0.515 462 S N 1.292 116.424 115.700 -0.947 0.000 2.608 462 S HA 0.118 4.588 4.470 -0.000 0.000 0.261 462 S C 1.071 175.458 174.600 -0.356 0.000 1.314 462 S CA -0.447 56.933 58.200 -1.367 0.000 0.992 462 S CB 0.321 62.697 63.200 -1.374 0.000 0.935 462 S HN 0.762 nan 8.310 nan 0.000 0.564 463 N N 0.923 119.540 118.700 -0.139 0.000 2.073 463 N HA -0.221 4.519 4.740 -0.000 0.000 0.199 463 N C 1.249 176.782 175.510 0.038 0.000 1.023 463 N CA 1.731 54.798 53.050 0.029 0.000 0.880 463 N CB -0.218 38.325 38.487 0.094 0.000 1.052 463 N HN 0.655 nan 8.380 nan 0.000 0.449 464 K N 0.427 120.842 120.400 0.025 0.000 2.576 464 K HA 0.305 4.625 4.320 -0.000 0.000 0.209 464 K C -0.292 176.322 176.600 0.022 0.000 1.049 464 K CA 0.110 56.423 56.287 0.043 0.000 1.140 464 K CB 0.356 32.892 32.500 0.060 0.000 0.871 464 K HN 0.196 nan 8.250 nan 0.000 0.479 465 A N 1.134 123.954 122.820 -0.001 0.000 2.832 465 A HA -0.245 4.075 4.320 -0.000 0.000 0.280 465 A C 1.043 178.637 177.584 0.018 0.000 1.464 465 A CA 1.440 53.502 52.037 0.041 0.000 0.804 465 A CB -1.918 17.039 19.000 -0.071 0.000 1.020 465 A HN 0.597 nan 8.150 nan 0.000 0.563 466 K N -2.004 118.339 120.400 -0.095 0.000 2.305 466 K HA 0.187 4.507 4.320 -0.000 0.000 0.199 466 K C -0.162 176.081 176.600 -0.595 0.000 1.047 466 K CA 1.127 57.235 56.287 -0.299 0.000 0.976 466 K CB 0.066 32.381 32.500 -0.308 0.000 0.765 466 K HN 0.666 nan 8.250 nan 0.000 0.474 467 Y N -0.963 119.292 120.300 -0.076 0.000 2.588 467 Y HA 0.298 4.848 4.550 -0.001 0.000 0.343 467 Y C -1.146 174.687 175.900 -0.112 0.000 1.065 467 Y CA -1.388 56.669 58.100 -0.071 0.000 1.038 467 Y CB 1.729 40.154 38.460 -0.058 0.000 1.297 467 Y HN -0.036 nan 8.280 nan 0.000 0.467 468 Y N -0.808 119.472 120.300 -0.034 0.000 2.482 468 Y HA 0.502 5.052 4.550 -0.001 0.000 0.334 468 Y C -1.243 174.646 175.900 -0.018 0.000 1.091 468 Y CA -1.454 56.452 58.100 -0.322 0.000 1.027 468 Y CB 1.317 38.965 38.460 -1.354 0.000 1.306 468 Y HN 0.627 nan 8.280 nan 0.000 0.446 469 Q N 3.880 123.774 119.800 0.157 0.000 2.243 469 Q HA 0.592 4.932 4.340 -0.000 0.000 0.252 469 Q C -1.722 174.324 176.000 0.077 0.000 0.909 469 Q CA -0.715 55.133 55.803 0.076 0.000 0.922 469 Q CB 1.283 30.053 28.738 0.053 0.000 1.215 469 Q HN 0.963 nan 8.270 nan 0.000 0.427 470 L N 3.942 125.204 121.223 0.065 0.000 2.307 470 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 470 L C -0.749 176.111 176.870 -0.016 0.000 1.023 470 L CA -0.834 54.041 54.840 0.057 0.000 0.810 470 L CB 1.551 43.609 42.059 -0.000 0.000 1.231 470 L HN 0.634 nan 8.230 nan 0.000 0.423 471 R N 2.312 122.753 120.500 -0.098 0.000 2.288 471 R HA 0.306 4.646 4.340 -0.000 0.000 0.326 471 R C -0.848 174.942 176.300 -0.849 0.000 0.959 471 R CA -0.264 55.453 56.100 -0.638 0.000 0.834 471 R CB 1.281 31.260 30.300 -0.536 0.000 1.157 471 R HN 0.535 nan 8.270 nan 0.000 0.470 472 c N 4.612 122.608 118.600 -1.007 0.000 2.285 472 c HA 0.486 5.055 4.570 -0.000 0.000 0.335 472 c C 0.263 173.822 174.090 -0.885 0.000 1.267 472 c CA -0.555 55.169 56.329 -1.008 0.000 1.762 472 c CB -0.853 41.154 42.510 -0.839 0.000 2.365 472 c HN 0.973 nan 8.230 nan 0.000 0.527 473 F N 4.303 124.113 119.950 -0.234 0.000 2.678 473 F HA 0.467 4.994 4.527 -0.000 0.000 0.305 473 F C 1.431 177.190 175.800 -0.068 0.000 1.090 473 F CA 0.613 58.548 58.000 -0.109 0.000 1.272 473 F CB 0.336 39.293 39.000 -0.072 0.000 1.060 473 F HN 1.004 nan 8.300 nan 0.000 0.576 474 G N 0.295 109.104 108.800 0.015 0.000 2.356 474 G HA2 0.070 4.030 3.960 -0.000 0.000 0.300 474 G HA3 0.070 4.030 3.960 -0.000 0.000 0.300 474 G C -2.532 172.367 174.900 -0.002 0.000 1.331 474 G CA -0.706 44.420 45.100 0.043 0.000 0.905 474 G HN -0.296 nan 8.290 nan 0.000 0.587 475 P HA 0.099 nan 4.420 nan 0.000 0.226 475 P C 1.311 178.642 177.300 0.051 0.000 1.153 475 P CA 1.561 64.696 63.100 0.058 0.000 0.777 475 P CB 0.210 31.936 31.700 0.043 0.000 0.794 476 G N 0.312 109.080 108.800 -0.053 0.000 2.510 476 G HA2 0.405 4.365 3.960 -0.000 0.000 0.280 476 G HA3 0.405 4.365 3.960 -0.000 0.000 0.280 476 G C -0.207 174.491 174.900 -0.337 0.000 1.386 476 G CA -0.759 44.241 45.100 -0.167 0.000 1.047 476 G HN 0.032 nan 8.290 nan 0.000 0.527 477 L N 1.000 121.940 121.223 -0.471 0.000 2.485 477 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 477 L C -1.925 174.785 176.870 -0.267 0.000 1.207 477 L CA -1.232 53.273 54.840 -0.558 0.000 0.855 477 L CB 0.497 42.303 42.059 -0.422 0.000 1.114 477 L HN 0.222 nan 8.230 nan 0.000 0.485 478 P HA 0.019 nan 4.420 nan 0.000 0.264 478 P C -0.915 176.313 177.300 -0.120 0.000 1.183 478 P CA 0.080 63.119 63.100 -0.101 0.000 0.763 478 P CB 0.565 32.359 31.700 0.157 0.000 0.807 479 L N 5.396 126.430 121.223 -0.316 0.000 2.406 479 L HA 0.489 4.828 4.340 -0.000 0.000 0.272 479 L C -1.787 174.868 176.870 -0.359 0.000 0.980 479 L CA -0.676 54.044 54.840 -0.199 0.000 0.831 479 L CB 0.894 42.852 42.059 -0.168 0.000 1.253 479 L HN 0.206 nan 8.230 nan 0.000 0.406 480 Y N 2.750 122.967 120.300 -0.139 0.000 2.341 480 Y HA 0.791 5.341 4.550 -0.001 0.000 0.337 480 Y C 0.584 176.364 175.900 -0.201 0.000 1.014 480 Y CA -0.354 57.651 58.100 -0.158 0.000 1.111 480 Y CB 2.132 40.501 38.460 -0.152 0.000 1.194 480 Y HN 0.713 nan 8.280 nan 0.000 0.462 481 T N 1.059 115.586 114.554 -0.044 0.000 2.864 481 T HA 0.665 5.015 4.350 -0.000 0.000 0.299 481 T C -1.518 173.096 174.700 -0.144 0.000 1.166 481 T CA -0.942 61.084 62.100 -0.123 0.000 1.007 481 T CB 1.688 70.532 68.868 -0.039 0.000 1.219 481 T HN 0.618 nan 8.240 nan 0.000 0.506 482 L N 1.528 122.571 121.223 -0.300 0.000 2.341 482 L HA 0.682 5.022 4.340 -0.000 0.000 0.278 482 L C -1.270 175.328 176.870 -0.453 0.000 1.005 482 L CA -0.761 53.935 54.840 -0.241 0.000 0.818 482 L CB 1.319 43.262 42.059 -0.193 0.000 1.259 482 L HN 0.888 nan 8.230 nan 0.000 0.418 483 H N 1.284 120.087 119.070 -0.445 0.000 2.797 483 H HA 0.405 4.961 4.556 -0.001 0.000 0.372 483 H C -0.794 174.324 175.328 -0.349 0.000 1.168 483 H CA -0.475 55.233 56.048 -0.566 0.000 1.163 483 H CB 2.120 31.184 29.762 -1.164 0.000 1.778 483 H HN 0.419 nan 8.280 nan 0.000 0.551 484 S N 0.264 115.958 115.700 -0.010 0.000 2.437 484 S HA 0.201 4.671 4.470 -0.000 0.000 0.305 484 S C 0.566 175.219 174.600 0.087 0.000 1.109 484 S CA -0.613 57.642 58.200 0.091 0.000 1.099 484 S CB 0.671 63.941 63.200 0.117 0.000 1.004 484 S HN 0.649 nan 8.310 nan 0.000 0.475 485 S N 3.609 119.363 115.700 0.090 0.000 2.447 485 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 485 S C 2.199 176.842 174.600 0.072 0.000 1.006 485 S CA 1.248 59.571 58.200 0.204 0.000 0.957 485 S CB -0.413 62.874 63.200 0.146 0.000 0.773 485 S HN 0.943 nan 8.310 nan 0.000 0.507 486 S N 2.593 118.285 115.700 -0.013 0.000 2.351 486 S HA -0.126 4.343 4.470 -0.000 0.000 0.220 486 S C 1.734 176.337 174.600 0.005 0.000 1.035 486 S CA 1.500 59.691 58.200 -0.015 0.000 1.031 486 S CB -0.616 62.559 63.200 -0.040 0.000 0.928 486 S HN 0.597 nan 8.310 nan 0.000 0.433 487 S N -0.236 115.473 115.700 0.016 0.000 2.650 487 S HA 0.301 4.771 4.470 -0.000 0.000 0.240 487 S C -0.136 174.487 174.600 0.037 0.000 1.007 487 S CA 0.142 58.352 58.200 0.017 0.000 0.984 487 S CB -0.104 63.102 63.200 0.010 0.000 0.910 487 S HN 0.335 nan 8.310 nan 0.000 0.509 488 D N 1.204 121.651 120.400 0.079 0.000 2.997 488 D HA -0.179 4.461 4.640 -0.000 0.000 0.226 488 D C 0.065 176.438 176.300 0.121 0.000 1.189 488 D CA 1.236 55.319 54.000 0.140 0.000 0.834 488 D CB -0.855 40.002 40.800 0.094 0.000 1.105 488 D HN 0.633 nan 8.370 nan 0.000 0.415 489 K N 0.816 121.253 120.400 0.061 0.000 2.154 489 K HA 0.175 4.494 4.320 -0.000 0.000 0.264 489 K C 0.221 176.785 176.600 -0.059 0.000 1.008 489 K CA -0.376 55.923 56.287 0.020 0.000 0.937 489 K CB 0.798 33.293 32.500 -0.009 0.000 1.002 489 K HN -0.024 nan 8.250 nan 0.000 0.469 490 E N 4.269 124.380 120.200 -0.148 0.000 2.029 490 E HA 0.007 4.357 4.350 -0.000 0.000 0.276 490 E C 0.746 177.168 176.600 -0.297 0.000 1.163 490 E CA -0.119 56.015 56.400 -0.444 0.000 0.909 490 E CB 0.288 29.779 29.700 -0.349 0.000 1.046 490 E HN 0.592 nan 8.360 nan 0.000 0.406 491 L N 4.634 125.677 121.223 -0.300 0.000 2.046 491 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 491 L C 1.216 177.987 176.870 -0.164 0.000 1.077 491 L CA 1.277 56.017 54.840 -0.166 0.000 0.747 491 L CB -0.508 41.480 42.059 -0.117 0.000 0.896 491 L HN 0.622 nan 8.230 nan 0.000 0.432 492 R N -2.678 117.684 120.500 -0.231 0.000 2.828 492 R HA 0.366 4.705 4.340 -0.000 0.000 0.280 492 R C -1.644 174.519 176.300 -0.230 0.000 1.020 492 R CA -0.956 55.031 56.100 -0.188 0.000 0.855 492 R CB 1.129 31.349 30.300 -0.132 0.000 1.278 492 R HN -0.292 nan 8.270 nan 0.000 0.495 493 V N 2.926 122.731 119.914 -0.182 0.000 2.432 493 V HA 0.179 4.298 4.120 -0.000 0.000 0.271 493 V C 1.359 177.308 176.094 -0.242 0.000 1.046 493 V CA -0.383 61.809 62.300 -0.179 0.000 0.945 493 V CB 1.121 32.874 31.823 -0.116 0.000 0.992 493 V HN 0.631 nan 8.190 nan 0.000 0.471 494 L N 2.677 123.687 121.223 -0.355 0.000 2.202 494 L HA 0.260 4.600 4.340 -0.000 0.000 0.205 494 L C 0.732 177.355 176.870 -0.412 0.000 1.083 494 L CA 0.742 55.177 54.840 -0.676 0.000 0.790 494 L CB 0.185 41.480 42.059 -1.272 0.000 0.942 494 L HN 0.705 nan 8.230 nan 0.000 0.452 495 E N -0.060 120.037 120.200 -0.171 0.000 2.406 495 E HA 0.077 4.426 4.350 -0.000 0.000 0.297 495 E C -1.172 175.456 176.600 0.046 0.000 0.917 495 E CA -0.351 56.036 56.400 -0.022 0.000 0.795 495 E CB 1.031 30.732 29.700 0.001 0.000 1.285 495 E HN 0.148 nan 8.360 nan 0.000 0.400 496 D N 3.190 123.597 120.400 0.012 0.000 2.433 496 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 496 D C -0.216 176.083 176.300 -0.001 0.000 1.114 496 D CA -0.231 53.770 54.000 0.002 0.000 0.837 496 D CB -0.043 40.741 40.800 -0.028 0.000 0.984 496 D HN 0.460 nan 8.370 nan 0.000 0.505 497 N N 0.525 119.237 118.700 0.019 0.000 2.714 497 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 497 N C 1.084 176.589 175.510 -0.007 0.000 1.117 497 N CA 0.941 53.998 53.050 0.013 0.000 0.719 497 N CB -1.364 37.129 38.487 0.011 0.000 1.081 497 N HN 0.495 nan 8.380 nan 0.000 0.557 498 S N -0.989 114.706 115.700 -0.008 0.000 2.383 498 S HA -0.129 4.340 4.470 -0.000 0.000 0.229 498 S C 2.087 176.690 174.600 0.006 0.000 1.030 498 S CA 1.200 59.394 58.200 -0.010 0.000 1.002 498 S CB -0.212 62.983 63.200 -0.008 0.000 0.829 498 S HN 0.511 nan 8.310 nan 0.000 0.467 499 A N 1.913 124.744 122.820 0.019 0.000 1.877 499 A HA 0.083 4.402 4.320 -0.000 0.000 0.216 499 A C 2.246 179.870 177.584 0.066 0.000 1.186 499 A CA 1.575 53.635 52.037 0.039 0.000 0.620 499 A CB -0.911 18.112 19.000 0.038 0.000 0.822 499 A HN 0.545 nan 8.150 nan 0.000 0.443 500 L N 0.418 121.681 121.223 0.067 0.000 2.046 500 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 500 L C 1.883 178.781 176.870 0.047 0.000 1.077 500 L CA 2.793 57.693 54.840 0.100 0.000 0.747 500 L CB -0.833 41.279 42.059 0.088 0.000 0.896 500 L HN 0.484 nan 8.230 nan 0.000 0.432 501 D N -0.651 119.745 120.400 -0.007 0.000 2.149 501 D HA -0.275 4.364 4.640 -0.000 0.000 0.198 501 D C 2.158 178.457 176.300 -0.000 0.000 0.990 501 D CA 1.325 55.303 54.000 -0.035 0.000 0.839 501 D CB 0.000 40.771 40.800 -0.048 0.000 0.948 501 D HN 0.199 nan 8.370 nan 0.000 0.460 502 K N -0.304 120.112 120.400 0.027 0.000 2.097 502 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 502 K C 2.026 178.672 176.600 0.077 0.000 1.050 502 K CA 1.146 57.459 56.287 0.043 0.000 0.938 502 K CB -0.210 32.316 32.500 0.044 0.000 0.718 502 K HN 0.249 nan 8.250 nan 0.000 0.442 503 M N -0.228 119.447 119.600 0.125 0.000 2.156 503 M HA -0.040 4.439 4.480 -0.000 0.000 0.264 503 M C 1.896 178.282 176.300 0.144 0.000 1.067 503 M CA 1.260 56.696 55.300 0.227 0.000 1.131 503 M CB -0.209 32.655 32.600 0.440 0.000 1.368 503 M HN 0.035 nan 8.290 nan 0.000 0.416 504 L N 0.505 121.733 121.223 0.008 0.000 2.275 504 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 504 L C 2.626 179.467 176.870 -0.049 0.000 1.119 504 L CA 0.963 55.734 54.840 -0.116 0.000 0.790 504 L CB -0.742 41.236 42.059 -0.134 0.000 0.919 504 L HN 0.469 nan 8.230 nan 0.000 0.443 505 Q N -0.714 119.082 119.800 -0.006 0.000 2.436 505 Q HA -0.196 4.143 4.340 -0.000 0.000 0.209 505 Q C 1.101 177.118 176.000 0.028 0.000 0.965 505 Q CA 1.195 57.000 55.803 0.003 0.000 0.910 505 Q CB -0.247 28.496 28.738 0.009 0.000 0.980 505 Q HN 0.422 nan 8.270 nan 0.000 0.491 506 D N 0.971 121.402 120.400 0.050 0.000 2.395 506 D HA 0.110 4.750 4.640 -0.000 0.000 0.226 506 D C -0.905 175.451 176.300 0.092 0.000 1.146 506 D CA -0.078 53.970 54.000 0.080 0.000 0.830 506 D CB 0.950 41.816 40.800 0.110 0.000 0.958 506 D HN 0.112 nan 8.370 nan 0.000 0.501 507 V N 0.499 120.442 119.914 0.050 0.000 2.932 507 V HA 0.253 4.373 4.120 -0.000 0.000 0.307 507 V C -1.185 174.927 176.094 0.029 0.000 1.147 507 V CA -0.734 61.600 62.300 0.056 0.000 0.951 507 V CB 2.201 34.033 31.823 0.015 0.000 1.031 507 V HN -0.076 nan 8.190 nan 0.000 0.426 508 Q N 6.078 125.914 119.800 0.061 0.000 2.641 508 Q HA 0.298 4.638 4.340 -0.000 0.000 0.225 508 Q C -0.321 175.679 176.000 0.001 0.000 1.309 508 Q CA -0.140 55.679 55.803 0.027 0.000 0.935 508 Q CB 0.367 29.152 28.738 0.079 0.000 1.557 508 Q HN 0.585 nan 8.270 nan 0.000 0.563 509 M N 3.791 123.365 119.600 -0.043 0.000 2.217 509 M HA 0.251 4.731 4.480 -0.000 0.000 0.354 509 M C -1.907 174.345 176.300 -0.081 0.000 1.225 509 M CA -2.175 53.085 55.300 -0.067 0.000 1.137 509 M CB -0.008 32.544 32.600 -0.079 0.000 1.576 509 M HN 0.284 nan 8.290 nan 0.000 0.461 510 P HA 0.237 nan 4.420 nan 0.000 0.276 510 P C -0.925 176.309 177.300 -0.109 0.000 1.261 510 P CA -0.417 62.623 63.100 -0.101 0.000 0.800 510 P CB 0.585 32.220 31.700 -0.107 0.000 1.066 511 S N -0.565 115.057 115.700 -0.130 0.000 2.537 511 S HA 0.501 4.971 4.470 -0.000 0.000 0.301 511 S C -0.409 174.111 174.600 -0.134 0.000 1.092 511 S CA -0.875 57.254 58.200 -0.118 0.000 1.048 511 S CB 1.696 64.821 63.200 -0.126 0.000 1.053 511 S HN 0.457 nan 8.310 nan 0.000 0.501 512 K N 1.434 121.778 120.400 -0.094 0.000 2.265 512 K HA 0.377 4.697 4.320 -0.000 0.000 0.267 512 K C -0.978 175.575 176.600 -0.077 0.000 0.994 512 K CA -0.479 55.758 56.287 -0.085 0.000 0.860 512 K CB 0.873 33.342 32.500 -0.052 0.000 1.099 512 K HN 0.743 nan 8.250 nan 0.000 0.448 513 K N 5.069 125.410 120.400 -0.098 0.000 2.345 513 K HA 0.347 4.666 4.320 -0.000 0.000 0.255 513 K C -1.462 175.079 176.600 -0.099 0.000 0.934 513 K CA -0.788 55.442 56.287 -0.094 0.000 0.801 513 K CB 0.997 33.416 32.500 -0.134 0.000 1.137 513 K HN 0.395 nan 8.250 nan 0.000 0.424 514 L N 3.142 124.327 121.223 -0.064 0.000 2.329 514 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 514 L C -0.317 176.468 176.870 -0.143 0.000 1.014 514 L CA -0.035 54.776 54.840 -0.048 0.000 0.814 514 L CB 1.679 43.839 42.059 0.168 0.000 1.257 514 L HN 0.789 nan 8.230 nan 0.000 0.424 515 D N 0.766 120.903 120.400 -0.439 0.000 2.838 515 D HA 0.650 5.289 4.640 -0.000 0.000 0.334 515 D C -1.669 174.336 176.300 -0.491 0.000 1.315 515 D CA -0.165 53.556 54.000 -0.465 0.000 0.917 515 D CB 2.133 42.713 40.800 -0.367 0.000 1.435 515 D HN 0.124 nan 8.370 nan 0.000 0.517 516 V N 0.889 120.672 119.914 -0.218 0.000 3.040 516 V HA 0.681 4.800 4.120 -0.000 0.000 0.312 516 V C -0.218 176.037 176.094 0.268 0.000 1.115 516 V CA -0.729 61.531 62.300 -0.067 0.000 0.998 516 V CB 1.971 33.483 31.823 -0.519 0.000 1.042 516 V HN 0.575 nan 8.190 nan 0.000 0.433 517 I N 0.052 120.814 120.570 0.319 0.000 3.074 517 I HA 0.722 4.892 4.170 -0.000 0.000 0.310 517 I C -1.050 175.192 176.117 0.207 0.000 1.153 517 I CA -0.842 60.583 61.300 0.208 0.000 0.993 517 I CB 2.544 40.590 38.000 0.078 0.000 1.237 517 I HN 0.588 nan 8.210 nan 0.000 0.443 518 N N 2.804 121.584 118.700 0.133 0.000 2.399 518 N HA 0.731 5.471 4.740 -0.000 0.000 0.295 518 N C -1.734 173.899 175.510 0.205 0.000 1.048 518 N CA -0.494 52.656 53.050 0.166 0.000 0.886 518 N CB 1.525 40.059 38.487 0.079 0.000 1.185 518 N HN 0.684 nan 8.380 nan 0.000 0.487 519 L N 2.899 124.345 121.223 0.372 0.000 2.470 519 L HA 0.323 4.662 4.340 -0.000 0.000 0.268 519 L C -0.726 176.451 176.870 0.512 0.000 0.964 519 L CA -0.805 54.273 54.840 0.397 0.000 0.839 519 L CB 1.575 43.861 42.059 0.378 0.000 1.276 519 L HN 0.828 nan 8.230 nan 0.000 0.403 520 H N 1.632 120.770 119.070 0.113 0.000 2.741 520 H HA -0.175 4.381 4.556 -0.000 0.000 0.305 520 H C 1.256 176.632 175.328 0.080 0.000 1.169 520 H CA 1.202 57.297 56.048 0.079 0.000 1.144 520 H CB -1.329 28.477 29.762 0.073 0.000 1.397 520 H HN 1.062 nan 8.280 nan 0.000 0.409 521 G N -0.756 108.126 108.800 0.137 0.000 2.179 521 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.257 521 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.257 521 G C 0.285 175.217 174.900 0.054 0.000 1.010 521 G CA 0.755 45.901 45.100 0.076 0.000 0.736 521 G HN 0.729 nan 8.290 nan 0.000 0.513 522 T N 0.021 114.619 114.554 0.073 0.000 2.887 522 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 522 T C 0.140 174.691 174.700 -0.248 0.000 1.021 522 T CA -0.454 61.551 62.100 -0.158 0.000 1.000 522 T CB 1.579 70.221 68.868 -0.377 0.000 1.034 522 T HN 0.558 nan 8.240 nan 0.000 0.467 523 K N 2.231 122.438 120.400 -0.322 0.000 2.262 523 K HA 0.541 4.860 4.320 -0.000 0.000 0.282 523 K C -1.309 175.105 176.600 -0.311 0.000 1.066 523 K CA -0.406 55.757 56.287 -0.207 0.000 0.901 523 K CB 0.271 32.681 32.500 -0.149 0.000 1.089 523 K HN 0.348 nan 8.250 nan 0.000 0.476 524 F N 1.975 122.025 119.950 0.166 0.000 2.522 524 F HA 0.419 4.946 4.527 -0.001 0.000 0.324 524 F C -0.354 175.612 175.800 0.277 0.000 1.077 524 F CA -0.876 57.278 58.000 0.256 0.000 0.944 524 F CB 1.097 40.298 39.000 0.336 0.000 1.175 524 F HN 0.484 nan 8.300 nan 0.000 0.468 525 W N 2.467 123.970 121.300 0.339 0.000 2.375 525 W HA 0.515 5.175 4.660 -0.000 0.000 0.336 525 W C -0.682 176.097 176.519 0.433 0.000 1.160 525 W CA -0.626 56.900 57.345 0.301 0.000 1.266 525 W CB 0.559 30.110 29.460 0.152 0.000 1.195 525 W HN 0.424 nan 8.180 nan 0.000 0.599 526 Y N -0.559 120.088 120.300 0.579 0.000 2.655 526 Y HA 0.682 5.232 4.550 -0.001 0.000 0.336 526 Y C -1.119 175.002 175.900 0.367 0.000 1.154 526 Y CA -1.827 56.602 58.100 0.549 0.000 1.055 526 Y CB 1.184 40.099 38.460 0.757 0.000 1.295 526 Y HN 0.565 nan 8.280 nan 0.000 0.465 527 Q N 2.021 122.034 119.800 0.354 0.000 2.416 527 Q HA 0.748 5.088 4.340 -0.000 0.000 0.281 527 Q C -1.849 174.259 176.000 0.181 0.000 1.067 527 Q CA -1.176 54.704 55.803 0.129 0.000 0.809 527 Q CB 3.380 32.182 28.738 0.106 0.000 1.418 527 Q HN 0.837 nan 8.270 nan 0.000 0.411 528 M N 2.405 122.036 119.600 0.051 0.000 2.327 528 M HA 0.464 4.943 4.480 -0.000 0.000 0.298 528 M C -1.274 174.960 176.300 -0.109 0.000 1.065 528 M CA -0.918 54.364 55.300 -0.031 0.000 0.916 528 M CB 2.246 34.800 32.600 -0.077 0.000 1.630 528 M HN 0.604 nan 8.290 nan 0.000 0.442 529 I N 5.069 125.572 120.570 -0.112 0.000 2.297 529 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 529 I C -0.461 175.528 176.117 -0.213 0.000 1.033 529 I CA -0.327 60.889 61.300 -0.140 0.000 1.253 529 I CB 0.499 38.437 38.000 -0.103 0.000 1.396 529 I HN 0.637 nan 8.210 nan 0.000 0.476 530 L N 8.271 129.316 121.223 -0.296 0.000 2.307 530 L HA 0.452 4.792 4.340 -0.000 0.000 0.282 530 L C -2.208 174.521 176.870 -0.234 0.000 1.051 530 L CA -1.826 52.754 54.840 -0.433 0.000 0.804 530 L CB 1.121 42.705 42.059 -0.793 0.000 1.197 530 L HN 0.243 nan 8.230 nan 0.000 0.431 531 P HA 0.055 nan 4.420 nan 0.000 0.268 531 P C -2.431 174.901 177.300 0.053 0.000 1.208 531 P CA -0.679 62.436 63.100 0.026 0.000 0.777 531 P CB -0.050 31.760 31.700 0.184 0.000 0.875 532 P HA -0.013 nan 4.420 nan 0.000 0.269 532 P C -0.531 176.784 177.300 0.025 0.000 1.217 532 P CA 0.374 63.424 63.100 -0.082 0.000 0.783 532 P CB -0.239 31.397 31.700 -0.107 0.000 0.898 533 H N -2.076 117.049 119.070 0.090 0.000 2.626 533 H HA -0.228 4.328 4.556 -0.000 0.000 0.317 533 H C -0.029 175.379 175.328 0.133 0.000 1.140 533 H CA -0.203 55.899 56.048 0.090 0.000 1.134 533 H CB -2.203 27.598 29.762 0.064 0.000 1.486 533 H HN 0.291 nan 8.280 nan 0.000 0.417 534 F N 1.544 121.521 119.950 0.044 0.000 2.608 534 F HA 0.111 4.638 4.527 -0.000 0.000 0.380 534 F C 0.516 176.360 175.800 0.073 0.000 1.083 534 F CA -0.102 57.901 58.000 0.004 0.000 1.266 534 F CB 0.475 39.355 39.000 -0.199 0.000 1.076 534 F HN 0.200 nan 8.300 nan 0.000 0.574 535 D N 5.570 125.642 120.400 -0.546 0.000 2.438 535 D HA 0.175 4.814 4.640 -0.000 0.000 0.257 535 D C -0.757 175.236 176.300 -0.512 0.000 1.148 535 D CA -0.548 53.237 54.000 -0.359 0.000 0.902 535 D CB 0.570 41.291 40.800 -0.133 0.000 1.062 535 D HN 0.508 nan 8.370 nan 0.000 0.518 536 K N 0.517 120.639 120.400 -0.464 0.000 2.285 536 K HA 0.243 4.562 4.320 -0.000 0.000 0.255 536 K C 0.486 177.079 176.600 -0.011 0.000 1.000 536 K CA -0.345 55.853 56.287 -0.147 0.000 0.887 536 K CB 0.376 32.928 32.500 0.086 0.000 0.997 536 K HN 0.168 nan 8.250 nan 0.000 0.510 537 S N -1.561 114.204 115.700 0.107 0.000 2.427 537 S HA -0.190 4.279 4.470 -0.000 0.000 0.253 537 S C -0.117 174.492 174.600 0.015 0.000 1.246 537 S CA 1.599 59.831 58.200 0.054 0.000 1.421 537 S CB -1.156 62.054 63.200 0.018 0.000 1.769 537 S HN 0.804 nan 8.310 nan 0.000 0.620 538 K N 1.752 122.151 120.400 -0.001 0.000 2.138 538 K HA 0.402 4.722 4.320 -0.000 0.000 0.263 538 K C -0.857 175.736 176.600 -0.011 0.000 0.965 538 K CA -0.614 55.618 56.287 -0.092 0.000 0.868 538 K CB 0.672 33.028 32.500 -0.240 0.000 1.083 538 K HN 0.067 nan 8.250 nan 0.000 0.443 539 K N 3.674 124.025 120.400 -0.081 0.000 2.263 539 K HA 0.161 4.481 4.320 -0.000 0.000 0.282 539 K C -1.164 175.399 176.600 -0.062 0.000 1.089 539 K CA -0.430 55.855 56.287 -0.003 0.000 0.907 539 K CB 0.519 32.994 32.500 -0.043 0.000 1.148 539 K HN 0.377 nan 8.250 nan 0.000 0.470 540 Y N 3.666 123.982 120.300 0.027 0.000 2.320 540 Y HA 0.203 4.753 4.550 -0.001 0.000 0.324 540 Y C -1.780 174.058 175.900 -0.103 0.000 1.190 540 Y CA -2.484 55.619 58.100 0.004 0.000 1.215 540 Y CB 0.469 39.014 38.460 0.142 0.000 1.221 540 Y HN 0.501 nan 8.280 nan 0.000 0.486 541 P HA 0.158 nan 4.420 nan 0.000 0.274 541 P C -1.210 175.940 177.300 -0.249 0.000 1.237 541 P CA -0.227 62.580 63.100 -0.488 0.000 0.793 541 P CB 1.521 32.611 31.700 -1.015 0.000 0.977 542 L N 2.513 123.599 121.223 -0.228 0.000 2.385 542 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 542 L C -1.462 175.578 176.870 0.284 0.000 0.990 542 L CA -0.936 53.936 54.840 0.053 0.000 0.821 542 L CB 1.695 43.781 42.059 0.045 0.000 1.279 542 L HN 0.164 nan 8.230 nan 0.000 0.412 543 L N 6.085 127.485 121.223 0.295 0.000 2.325 543 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 543 L C -1.212 175.868 176.870 0.350 0.000 1.004 543 L CA -0.277 54.794 54.840 0.386 0.000 0.823 543 L CB 1.278 43.520 42.059 0.304 0.000 1.236 543 L HN 0.432 nan 8.230 nan 0.000 0.415 544 I N 4.216 125.044 120.570 0.431 0.000 2.325 544 I HA 0.303 4.472 4.170 -0.000 0.000 0.291 544 I C 0.257 176.617 176.117 0.406 0.000 1.019 544 I CA -0.088 61.454 61.300 0.404 0.000 1.302 544 I CB 1.040 39.330 38.000 0.483 0.000 1.401 544 I HN 0.720 nan 8.210 nan 0.000 0.485 545 E N 6.283 126.689 120.200 0.343 0.000 2.134 545 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 545 E C -1.533 175.143 176.600 0.127 0.000 0.959 545 E CA -0.430 56.096 56.400 0.209 0.000 0.783 545 E CB 1.928 31.829 29.700 0.336 0.000 1.095 545 E HN 0.430 nan 8.360 nan 0.000 0.399 546 V N 5.281 125.204 119.914 0.016 0.000 2.914 546 V HA 0.400 4.519 4.120 -0.000 0.000 0.314 546 V C -1.310 174.870 176.094 0.143 0.000 1.084 546 V CA -0.312 62.059 62.300 0.117 0.000 0.963 546 V CB 1.688 33.588 31.823 0.129 0.000 1.025 546 V HN 0.922 nan 8.190 nan 0.000 0.432 547 Y N 4.471 124.831 120.300 0.100 0.000 3.183 547 Y HA 0.583 5.132 4.550 -0.001 0.000 0.200 547 Y C 1.499 177.531 175.900 0.221 0.000 0.912 547 Y CA 1.428 59.614 58.100 0.143 0.000 1.642 547 Y CB 0.013 38.539 38.460 0.109 0.000 1.447 547 Y HN 1.192 nan 8.280 nan 0.000 0.421 548 A N 0.841 123.753 122.820 0.153 0.000 2.847 548 A HA -0.138 4.181 4.320 -0.000 0.000 0.263 548 A C 0.905 178.323 177.584 -0.276 0.000 1.391 548 A CA 0.978 53.039 52.037 0.040 0.000 0.866 548 A CB -2.394 16.685 19.000 0.131 0.000 1.057 548 A HN 0.972 nan 8.150 nan 0.000 0.673 549 G N -0.475 107.919 108.800 -0.676 0.000 2.599 549 G HA2 0.523 4.483 3.960 -0.000 0.000 0.264 549 G HA3 0.523 4.483 3.960 -0.000 0.000 0.264 549 G C -1.887 172.646 174.900 -0.612 0.000 1.200 549 G CA -0.760 43.482 45.100 -1.429 0.000 0.896 549 G HN 0.398 nan 8.290 nan 0.000 0.536 550 P HA -0.003 nan 4.420 nan 0.000 0.261 550 P C 0.661 177.780 177.300 -0.302 0.000 1.183 550 P CA 0.283 63.049 63.100 -0.556 0.000 0.761 550 P CB 0.720 31.627 31.700 -1.321 0.000 0.785 551 C N 2.327 121.543 119.300 -0.140 0.000 4.417 551 C HA -0.151 4.309 4.460 -0.000 0.000 0.284 551 C C 1.079 176.078 174.990 0.015 0.000 1.379 551 C CA 1.116 60.022 59.018 -0.187 0.000 1.918 551 C CB -2.666 24.792 27.740 -0.470 0.000 1.280 551 C HN 0.826 nan 8.230 nan 0.000 0.783 552 S N 0.050 115.831 115.700 0.135 0.000 2.614 552 S HA 0.525 4.995 4.470 -0.000 0.000 0.265 552 S C -0.536 174.234 174.600 0.283 0.000 1.303 552 S CA 0.283 58.667 58.200 0.307 0.000 1.000 552 S CB 1.561 64.994 63.200 0.389 0.000 0.935 552 S HN 0.851 nan 8.310 nan 0.000 0.551 553 Q N 0.153 120.142 119.800 0.314 0.000 2.483 553 Q HA 0.325 4.665 4.340 -0.000 0.000 0.245 553 Q C -0.557 175.553 176.000 0.184 0.000 0.902 553 Q CA -0.627 55.339 55.803 0.273 0.000 0.767 553 Q CB 0.857 29.807 28.738 0.353 0.000 1.341 553 Q HN 0.630 nan 8.270 nan 0.000 0.453 554 K N 1.526 122.029 120.400 0.172 0.000 2.361 554 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 554 K C -0.128 176.550 176.600 0.129 0.000 1.032 554 K CA 0.326 56.702 56.287 0.147 0.000 1.048 554 K CB 0.976 33.590 32.500 0.190 0.000 0.842 554 K HN 0.376 nan 8.250 nan 0.000 0.526 555 V N 3.864 123.859 119.914 0.136 0.000 2.311 555 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 555 V C -0.499 175.634 176.094 0.065 0.000 1.022 555 V CA -0.748 61.630 62.300 0.130 0.000 0.830 555 V CB 1.038 32.984 31.823 0.205 0.000 1.012 555 V HN 0.288 nan 8.190 nan 0.000 0.452 556 D N 2.325 122.746 120.400 0.035 0.000 2.759 556 D HA 0.301 4.940 4.640 -0.000 0.000 0.321 556 D C 0.339 176.640 176.300 0.000 0.000 1.267 556 D CA -0.050 53.961 54.000 0.019 0.000 0.933 556 D CB 1.492 42.303 40.800 0.019 0.000 1.431 556 D HN 0.334 nan 8.370 nan 0.000 0.504 557 T N -2.049 112.528 114.554 0.038 0.000 3.251 557 T HA 0.398 4.748 4.350 -0.000 0.000 0.259 557 T C 0.207 174.882 174.700 -0.042 0.000 0.998 557 T CA -0.433 61.687 62.100 0.033 0.000 0.905 557 T CB -0.766 68.164 68.868 0.104 0.000 1.067 557 T HN 0.273 nan 8.240 nan 0.000 0.569 558 V N 2.420 122.203 119.914 -0.219 0.000 2.649 558 V HA 0.403 4.522 4.120 -0.000 0.000 0.292 558 V C 0.081 176.149 176.094 -0.043 0.000 1.055 558 V CA -1.064 61.091 62.300 -0.242 0.000 1.023 558 V CB 0.531 32.061 31.823 -0.489 0.000 0.992 558 V HN 0.615 nan 8.190 nan 0.000 0.480 559 F N 5.986 125.891 119.950 -0.075 0.000 2.427 559 F HA 0.607 5.134 4.527 -0.001 0.000 0.352 559 F C 0.386 176.166 175.800 -0.032 0.000 1.100 559 F CA -0.216 57.756 58.000 -0.047 0.000 1.191 559 F CB 0.342 39.330 39.000 -0.021 0.000 1.128 559 F HN 0.410 nan 8.300 nan 0.000 0.533 560 R N 5.918 125.889 120.500 -0.882 0.000 2.584 560 R HA 0.422 4.762 4.340 -0.000 0.000 0.276 560 R C -2.008 173.838 176.300 -0.757 0.000 1.046 560 R CA -1.168 54.550 56.100 -0.636 0.000 0.906 560 R CB 1.810 31.942 30.300 -0.279 0.000 1.215 560 R HN 0.470 nan 8.270 nan 0.000 0.449 561 L N 2.922 123.860 121.223 -0.475 0.000 2.272 561 L HA 0.359 4.699 4.340 -0.000 0.000 0.284 561 L C -0.004 176.873 176.870 0.012 0.000 1.045 561 L CA 0.165 54.825 54.840 -0.299 0.000 0.842 561 L CB 0.697 42.740 42.059 -0.027 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.430 562 S N 1.532 117.169 115.700 -0.106 0.000 2.745 562 S HA 0.322 4.792 4.470 -0.000 0.000 0.306 562 S C 0.574 174.880 174.600 -0.491 0.000 1.137 562 S CA -0.723 57.363 58.200 -0.190 0.000 0.900 562 S CB 0.722 63.880 63.200 -0.071 0.000 1.176 562 S HN 0.520 nan 8.310 nan 0.000 0.520 563 W N 1.423 122.080 121.300 -1.071 0.000 2.338 563 W HA -0.046 4.614 4.660 -0.000 0.000 0.304 563 W C 2.357 178.796 176.519 -0.135 0.000 1.212 563 W CA 2.265 59.170 57.345 -0.734 0.000 1.264 563 W CB -1.053 28.155 29.460 -0.419 0.000 1.142 563 W HN 0.850 nan 8.180 nan 0.000 0.512 564 A N -0.521 122.250 122.820 -0.081 0.000 1.972 564 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 564 A C 1.937 179.421 177.584 -0.168 0.000 1.169 564 A CA 2.390 54.323 52.037 -0.173 0.000 0.635 564 A CB -1.242 17.751 19.000 -0.011 0.000 0.810 564 A HN 0.312 nan 8.150 nan 0.000 0.446 565 T N -1.211 113.273 114.554 -0.117 0.000 2.708 565 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 565 T C 1.812 176.558 174.700 0.077 0.000 1.037 565 T CA 1.721 63.750 62.100 -0.119 0.000 1.146 565 T CB -0.467 68.189 68.868 -0.353 0.000 0.865 565 T HN 0.714 nan 8.240 nan 0.000 0.435 566 Y N 2.123 122.518 120.300 0.159 0.000 2.163 566 Y HA -0.007 4.542 4.550 -0.000 0.000 0.288 566 Y C 1.934 177.828 175.900 -0.010 0.000 1.136 566 Y CA 0.891 59.105 58.100 0.189 0.000 1.147 566 Y CB -0.805 37.748 38.460 0.154 0.000 0.987 566 Y HN 0.112 nan 8.280 nan 0.000 0.509 567 L N 0.394 121.120 121.223 -0.829 0.000 2.042 567 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 567 L C 2.844 179.459 176.870 -0.426 0.000 1.076 567 L CA 1.438 55.755 54.840 -0.872 0.000 0.749 567 L CB -1.029 40.580 42.059 -0.750 0.000 0.893 567 L HN 0.420 nan 8.230 nan 0.000 0.432 568 A N -1.266 121.399 122.820 -0.259 0.000 1.898 568 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 568 A C 2.521 180.067 177.584 -0.064 0.000 1.183 568 A CA 1.724 53.684 52.037 -0.127 0.000 0.622 568 A CB -0.577 18.351 19.000 -0.120 0.000 0.824 568 A HN 0.332 nan 8.150 nan 0.000 0.444 569 S N -1.238 114.435 115.700 -0.045 0.000 2.355 569 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 569 S C 2.003 176.638 174.600 0.058 0.000 1.031 569 S CA 2.233 60.456 58.200 0.038 0.000 0.993 569 S CB -0.359 62.916 63.200 0.124 0.000 0.859 569 S HN 0.571 nan 8.310 nan 0.000 0.453 570 T N 1.321 115.885 114.554 0.015 0.000 2.953 570 T HA 0.167 4.516 4.350 -0.000 0.000 0.247 570 T C 1.364 176.053 174.700 -0.018 0.000 1.029 570 T CA 0.553 62.682 62.100 0.049 0.000 1.144 570 T CB -0.116 68.865 68.868 0.188 0.000 0.870 570 T HN 0.324 nan 8.240 nan 0.000 0.446 571 E N 1.324 121.423 120.200 -0.169 0.000 2.479 571 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 571 E C -0.074 176.516 176.600 -0.017 0.000 1.049 571 E CA -0.057 56.283 56.400 -0.101 0.000 0.870 571 E CB -0.348 29.231 29.700 -0.202 0.000 0.944 571 E HN 0.468 nan 8.360 nan 0.000 0.492 572 N N 0.571 119.281 118.700 0.017 0.000 2.725 572 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 572 N C -0.969 174.661 175.510 0.201 0.000 1.031 572 N CA 0.367 53.507 53.050 0.150 0.000 0.720 572 N CB -1.231 37.361 38.487 0.175 0.000 0.930 572 N HN 0.225 nan 8.380 nan 0.000 0.543 573 I N 0.684 121.297 120.570 0.071 0.000 2.412 573 I HA 0.357 4.526 4.170 -0.000 0.000 0.296 573 I C 0.571 176.707 176.117 0.031 0.000 0.987 573 I CA -0.821 60.526 61.300 0.079 0.000 1.180 573 I CB 1.305 39.335 38.000 0.049 0.000 1.340 573 I HN 0.033 nan 8.210 nan 0.000 0.455 574 I N 6.452 127.051 120.570 0.049 0.000 2.416 574 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 574 I C -0.445 175.671 176.117 -0.002 0.000 1.051 574 I CA -0.448 60.831 61.300 -0.034 0.000 1.375 574 I CB 1.072 39.055 38.000 -0.029 0.000 1.407 574 I HN 0.187 nan 8.210 nan 0.000 0.516 575 V N 6.596 126.493 119.914 -0.029 0.000 2.357 575 V HA 0.637 4.757 4.120 -0.000 0.000 0.284 575 V C 0.296 176.414 176.094 0.040 0.000 1.018 575 V CA -0.429 61.893 62.300 0.037 0.000 0.841 575 V CB 1.207 33.046 31.823 0.026 0.000 0.991 575 V HN 0.848 nan 8.190 nan 0.000 0.437 576 A N 3.949 126.814 122.820 0.075 0.000 2.356 576 A HA 0.952 5.272 4.320 -0.000 0.000 0.323 576 A C -0.248 177.462 177.584 0.209 0.000 1.119 576 A CA -0.528 51.549 52.037 0.066 0.000 0.790 576 A CB 1.864 20.755 19.000 -0.182 0.000 1.273 576 A HN 0.677 nan 8.150 nan 0.000 0.452 577 S N -0.260 115.610 115.700 0.283 0.000 2.548 577 S HA 0.781 5.251 4.470 -0.000 0.000 0.286 577 S C -1.521 173.399 174.600 0.534 0.000 1.098 577 S CA -0.295 58.118 58.200 0.356 0.000 0.930 577 S CB 1.363 64.721 63.200 0.264 0.000 1.070 577 S HN 0.815 nan 8.310 nan 0.000 0.480 578 F N 1.764 121.922 119.950 0.346 0.000 2.574 578 F HA 0.485 5.012 4.527 -0.000 0.000 0.313 578 F C -1.662 174.314 175.800 0.293 0.000 1.130 578 F CA -0.812 57.418 58.000 0.383 0.000 0.936 578 F CB 1.507 40.736 39.000 0.381 0.000 1.219 578 F HN 0.379 nan 8.300 nan 0.000 0.445 579 D N 4.410 124.459 120.400 -0.585 0.000 2.443 579 D HA 0.432 5.071 4.640 -0.000 0.000 0.221 579 D C 0.325 176.139 176.300 -0.810 0.000 1.097 579 D CA 0.150 53.901 54.000 -0.415 0.000 0.865 579 D CB 1.540 42.324 40.800 -0.027 0.000 1.034 579 D HN 0.780 nan 8.370 nan 0.000 0.511 580 G N 1.394 109.809 108.800 -0.641 0.000 2.782 580 G HA2 0.310 4.270 3.960 -0.000 0.000 0.201 580 G HA3 0.310 4.270 3.960 -0.000 0.000 0.201 580 G C 0.042 174.789 174.900 -0.256 0.000 1.374 580 G CA -0.640 44.083 45.100 -0.629 0.000 1.039 580 G HN 0.264 nan 8.290 nan 0.000 0.576 581 R N -0.726 119.639 120.500 -0.226 0.000 2.585 581 R HA 0.388 4.728 4.340 -0.000 0.000 0.275 581 R C 1.354 177.696 176.300 0.070 0.000 1.018 581 R CA 2.021 58.133 56.100 0.019 0.000 1.072 581 R CB 0.439 30.767 30.300 0.047 0.000 0.953 581 R HN 1.241 nan 8.270 nan 0.000 0.419 582 G N 1.247 110.107 108.800 0.100 0.000 2.284 582 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.230 582 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.230 582 G C 0.114 175.033 174.900 0.032 0.000 1.021 582 G CA 0.223 45.368 45.100 0.075 0.000 0.619 582 G HN 0.835 nan 8.290 nan 0.000 0.510 583 S N 0.508 116.232 115.700 0.039 0.000 2.580 583 S HA 0.592 5.062 4.470 -0.000 0.000 0.266 583 S C 0.865 175.468 174.600 0.005 0.000 1.354 583 S CA 0.617 58.843 58.200 0.044 0.000 1.008 583 S CB 1.619 64.864 63.200 0.075 0.000 0.898 583 S HN 1.753 nan 8.310 nan 0.000 0.555 584 G N -1.045 107.731 108.800 -0.040 0.000 2.705 584 G HA2 0.518 4.478 3.960 -0.000 0.000 0.299 584 G HA3 0.518 4.478 3.960 -0.000 0.000 0.299 584 G C -1.010 173.801 174.900 -0.148 0.000 1.315 584 G CA -1.056 43.880 45.100 -0.275 0.000 1.045 584 G HN 0.946 nan 8.290 nan 0.000 0.517 585 Y N -2.346 117.962 120.300 0.014 0.000 4.668 585 Y HA -0.211 4.339 4.550 -0.001 0.000 0.234 585 Y C 1.363 177.290 175.900 0.044 0.000 1.056 585 Y CA 1.056 59.172 58.100 0.028 0.000 2.025 585 Y CB -2.085 36.404 38.460 0.048 0.000 1.613 585 Y HN 0.521 nan 8.280 nan 0.000 0.653 586 Q N -0.043 119.805 119.800 0.081 0.000 2.086 586 Q HA 0.501 4.841 4.340 -0.000 0.000 0.220 586 Q C 0.895 176.838 176.000 -0.096 0.000 0.792 586 Q CA 0.219 56.087 55.803 0.109 0.000 1.062 586 Q CB 1.607 30.416 28.738 0.119 0.000 1.198 586 Q HN 0.584 nan 8.270 nan 0.000 0.466 587 G N 0.724 109.329 108.800 -0.326 0.000 2.690 587 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 587 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 587 G C -0.403 174.127 174.900 -0.617 0.000 1.277 587 G CA -0.519 44.096 45.100 -0.808 0.000 0.799 587 G HN 0.128 nan 8.290 nan 0.000 0.613 588 D N 0.013 119.991 120.400 -0.703 0.000 2.178 588 D HA -0.079 4.560 4.640 -0.000 0.000 0.201 588 D C 2.230 178.197 176.300 -0.555 0.000 0.980 588 D CA 1.443 54.957 54.000 -0.811 0.000 0.842 588 D CB 0.006 40.309 40.800 -0.827 0.000 0.948 588 D HN 0.618 nan 8.370 nan 0.000 0.472 589 K N 0.373 120.540 120.400 -0.388 0.000 2.063 589 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 589 K C 1.881 178.410 176.600 -0.118 0.000 1.048 589 K CA 0.889 57.055 56.287 -0.201 0.000 0.928 589 K CB 0.065 32.475 32.500 -0.150 0.000 0.713 589 K HN 0.002 nan 8.250 nan 0.000 0.442 590 I N 1.077 121.570 120.570 -0.129 0.000 2.193 590 I HA -0.231 3.938 4.170 -0.000 0.000 0.240 590 I C 2.528 178.643 176.117 -0.003 0.000 1.084 590 I CA 1.252 62.555 61.300 0.005 0.000 1.365 590 I CB -0.914 37.113 38.000 0.046 0.000 1.064 590 I HN 0.389 nan 8.210 nan 0.000 0.410 591 M N 0.114 119.638 119.600 -0.127 0.000 2.086 591 M HA -0.223 4.256 4.480 -0.000 0.000 0.261 591 M C 2.053 178.388 176.300 0.057 0.000 1.067 591 M CA 1.877 57.130 55.300 -0.079 0.000 1.116 591 M CB -0.391 32.069 32.600 -0.234 0.000 1.348 591 M HN 0.265 nan 8.290 nan 0.000 0.407 592 H N -0.694 118.253 119.070 -0.205 0.000 2.556 592 H HA 0.156 4.712 4.556 -0.000 0.000 0.268 592 H C 1.805 177.145 175.328 0.021 0.000 0.996 592 H CA 0.079 56.010 56.048 -0.195 0.000 1.157 592 H CB 0.068 29.620 29.762 -0.350 0.000 1.355 592 H HN 0.529 nan 8.280 nan 0.000 0.597 593 A N 1.529 124.460 122.820 0.185 0.000 2.070 593 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 593 A C 2.073 179.863 177.584 0.343 0.000 1.159 593 A CA 1.048 53.240 52.037 0.259 0.000 0.656 593 A CB -0.637 18.500 19.000 0.229 0.000 0.800 593 A HN 0.599 nan 8.150 nan 0.000 0.453 594 I N -3.460 117.261 120.570 0.251 0.000 3.928 594 I HA 0.161 4.331 4.170 -0.000 0.000 0.335 594 I C 0.412 176.576 176.117 0.078 0.000 1.325 594 I CA -0.465 60.907 61.300 0.120 0.000 1.107 594 I CB -0.536 37.514 38.000 0.083 0.000 1.014 594 I HN 0.199 nan 8.210 nan 0.000 0.400 595 N N 3.130 121.939 118.700 0.181 0.000 2.359 595 N HA -0.088 4.652 4.740 -0.000 0.000 0.261 595 N C 0.121 175.621 175.510 -0.017 0.000 1.267 595 N CA 0.324 53.480 53.050 0.177 0.000 0.864 595 N CB 0.312 38.881 38.487 0.138 0.000 1.063 595 N HN 0.397 nan 8.380 nan 0.000 0.474 596 R N 0.454 120.913 120.500 -0.069 0.000 3.953 596 R HA -0.200 4.140 4.340 -0.000 0.000 0.340 596 R C -0.237 175.913 176.300 -0.249 0.000 1.195 596 R CA 1.490 57.481 56.100 -0.182 0.000 0.929 596 R CB -1.551 28.627 30.300 -0.204 0.000 1.402 596 R HN 0.793 nan 8.270 nan 0.000 0.540 597 R N -0.222 120.172 120.500 -0.175 0.000 2.583 597 R HA 0.260 4.600 4.340 -0.000 0.000 0.329 597 R C -0.450 175.800 176.300 -0.083 0.000 1.166 597 R CA -0.683 55.360 56.100 -0.094 0.000 1.264 597 R CB 0.182 30.374 30.300 -0.180 0.000 1.324 597 R HN -0.028 nan 8.270 nan 0.000 0.684 598 L N 0.917 122.066 121.223 -0.123 0.000 2.483 598 L HA 0.222 4.562 4.340 -0.000 0.000 0.276 598 L C 1.268 178.263 176.870 0.208 0.000 1.213 598 L CA 1.533 56.358 54.840 -0.025 0.000 0.843 598 L CB 0.537 42.384 42.059 -0.354 0.000 1.107 598 L HN 0.830 nan 8.230 nan 0.000 0.487 599 G N 0.765 109.776 108.800 0.351 0.000 2.176 599 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 599 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 599 G C 0.542 175.493 174.900 0.085 0.000 0.979 599 G CA 0.628 45.894 45.100 0.278 0.000 0.641 599 G HN 0.793 nan 8.290 nan 0.000 0.530 600 T N -2.824 111.750 114.554 0.035 0.000 3.507 600 T HA 0.461 4.810 4.350 -0.000 0.000 0.197 600 T C 1.745 176.493 174.700 0.080 0.000 0.847 600 T CA 1.047 63.122 62.100 -0.042 0.000 1.531 600 T CB -0.212 68.487 68.868 -0.282 0.000 1.834 600 T HN 0.116 nan 8.240 nan 0.000 0.433 601 F N 3.525 123.511 119.950 0.059 0.000 2.126 601 F HA 0.030 4.556 4.527 -0.000 0.000 0.299 601 F C 2.821 178.625 175.800 0.007 0.000 1.096 601 F CA 1.152 59.160 58.000 0.014 0.000 1.255 601 F CB -0.932 38.064 39.000 -0.006 0.000 0.997 601 F HN 0.516 nan 8.300 nan 0.000 0.479 602 E N 0.971 121.305 120.200 0.224 0.000 2.150 602 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 602 E C 2.340 179.026 176.600 0.142 0.000 0.985 602 E CA 1.518 58.013 56.400 0.158 0.000 0.814 602 E CB -1.298 28.496 29.700 0.157 0.000 0.752 602 E HN 0.333 nan 8.360 nan 0.000 0.466 603 V N 1.060 121.044 119.914 0.117 0.000 2.379 603 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 603 V C 2.027 178.163 176.094 0.070 0.000 1.044 603 V CA 2.098 64.431 62.300 0.055 0.000 1.036 603 V CB -0.270 31.535 31.823 -0.031 0.000 0.664 603 V HN 0.175 nan 8.190 nan 0.000 0.453 604 E N -0.110 120.149 120.200 0.099 0.000 2.118 604 E HA -0.234 4.115 4.350 -0.000 0.000 0.195 604 E C 1.922 178.565 176.600 0.072 0.000 0.992 604 E CA 1.709 58.168 56.400 0.099 0.000 0.804 604 E CB -0.175 29.618 29.700 0.155 0.000 0.741 604 E HN 0.643 nan 8.360 nan 0.000 0.458 605 D N 0.244 120.687 120.400 0.071 0.000 2.144 605 D HA -0.127 4.512 4.640 -0.000 0.000 0.200 605 D C 2.000 178.336 176.300 0.060 0.000 0.978 605 D CA 0.716 54.741 54.000 0.043 0.000 0.833 605 D CB -0.103 40.730 40.800 0.055 0.000 0.961 605 D HN 0.087 nan 8.370 nan 0.000 0.470 606 Q N 0.263 120.154 119.800 0.152 0.000 2.084 606 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 606 Q C 2.571 178.649 176.000 0.129 0.000 0.978 606 Q CA 0.624 56.539 55.803 0.187 0.000 0.844 606 Q CB -0.247 28.605 28.738 0.191 0.000 0.898 606 Q HN 0.427 nan 8.270 nan 0.000 0.426 607 I N 0.744 121.391 120.570 0.127 0.000 2.142 607 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 607 I C 2.480 178.592 176.117 -0.007 0.000 1.078 607 I CA 1.045 62.445 61.300 0.167 0.000 1.343 607 I CB -0.285 37.801 38.000 0.143 0.000 1.046 607 I HN 0.147 nan 8.210 nan 0.000 0.405 608 E N 1.213 121.369 120.200 -0.073 0.000 2.085 608 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 608 E C 2.238 178.617 176.600 -0.368 0.000 0.994 608 E CA 1.706 58.008 56.400 -0.164 0.000 0.801 608 E CB -0.171 29.467 29.700 -0.103 0.000 0.743 608 E HN 0.468 nan 8.360 nan 0.000 0.453 609 A N -0.006 122.470 122.820 -0.574 0.000 1.902 609 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 609 A C 2.466 179.351 177.584 -1.165 0.000 1.181 609 A CA 2.254 53.635 52.037 -1.094 0.000 0.623 609 A CB -0.901 17.106 19.000 -1.655 0.000 0.818 609 A HN 0.318 nan 8.150 nan 0.000 0.443 610 T N -0.876 113.392 114.554 -0.476 0.000 2.777 610 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 610 T C 2.046 176.607 174.700 -0.231 0.000 1.040 610 T CA 1.322 63.352 62.100 -0.118 0.000 1.141 610 T CB -0.235 68.681 68.868 0.080 0.000 0.868 610 T HN 0.530 nan 8.240 nan 0.000 0.444 611 R N 0.881 121.226 120.500 -0.259 0.000 2.091 611 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 611 R C 2.503 178.660 176.300 -0.237 0.000 1.136 611 R CA 1.506 57.475 56.100 -0.218 0.000 0.959 611 R CB -0.132 30.067 30.300 -0.169 0.000 0.856 611 R HN 0.512 nan 8.270 nan 0.000 0.437 612 Q N -0.777 118.809 119.800 -0.357 0.000 2.046 612 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 612 Q C 1.991 177.844 176.000 -0.245 0.000 0.975 612 Q CA 1.498 57.100 55.803 -0.336 0.000 0.836 612 Q CB -0.121 28.342 28.738 -0.459 0.000 0.896 612 Q HN 0.302 nan 8.270 nan 0.000 0.428 613 F N 1.013 120.822 119.950 -0.235 0.000 2.161 613 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 613 F C 2.774 178.427 175.800 -0.244 0.000 1.089 613 F CA 1.401 59.255 58.000 -0.243 0.000 1.282 613 F CB -1.196 37.684 39.000 -0.200 0.000 1.010 613 F HN 0.097 nan 8.300 nan 0.000 0.485 614 S N -0.153 115.527 115.700 -0.034 0.000 2.419 614 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 614 S C 1.703 176.228 174.600 -0.126 0.000 1.016 614 S CA 0.938 59.077 58.200 -0.101 0.000 0.974 614 S CB -0.561 62.557 63.200 -0.135 0.000 0.786 614 S HN 0.436 nan 8.310 nan 0.000 0.492 615 K N 0.174 120.498 120.400 -0.127 0.000 2.487 615 K HA 0.284 4.604 4.320 -0.000 0.000 0.192 615 K C 0.394 176.909 176.600 -0.143 0.000 1.027 615 K CA 0.027 56.242 56.287 -0.121 0.000 1.054 615 K CB -0.100 32.336 32.500 -0.107 0.000 0.824 615 K HN 0.465 nan 8.250 nan 0.000 0.510 616 M N -0.457 119.018 119.600 -0.208 0.000 2.226 616 M HA 0.037 4.517 4.480 -0.000 0.000 0.324 616 M C 1.647 177.735 176.300 -0.353 0.000 1.112 616 M CA 0.012 55.120 55.300 -0.320 0.000 1.176 616 M CB 0.916 33.180 32.600 -0.560 0.000 1.430 616 M HN 0.162 nan 8.290 nan 0.000 0.462 617 G N 1.340 109.979 108.800 -0.267 0.000 2.422 617 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 617 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 617 G C 0.807 175.671 174.900 -0.060 0.000 1.146 617 G CA 0.641 45.676 45.100 -0.108 0.000 0.769 617 G HN 0.784 nan 8.290 nan 0.000 0.547 618 F N 0.244 120.262 119.950 0.113 0.000 2.731 618 F HA 0.593 5.120 4.527 -0.001 0.000 0.304 618 F C -0.137 175.790 175.800 0.211 0.000 1.133 618 F CA -1.301 56.806 58.000 0.177 0.000 1.380 618 F CB -0.349 38.817 39.000 0.276 0.000 1.079 618 F HN -0.183 nan 8.300 nan 0.000 0.550 619 V N 1.475 121.315 119.914 -0.124 0.000 2.459 619 V HA 0.205 4.324 4.120 -0.000 0.000 0.295 619 V C -0.739 175.321 176.094 -0.057 0.000 1.029 619 V CA -0.855 61.415 62.300 -0.050 0.000 0.874 619 V CB 1.605 33.325 31.823 -0.172 0.000 0.985 619 V HN 0.076 nan 8.190 nan 0.000 0.438 620 D N 3.577 123.950 120.400 -0.046 0.000 2.411 620 D HA 0.098 4.737 4.640 -0.000 0.000 0.225 620 D C 0.909 177.150 176.300 -0.099 0.000 1.156 620 D CA -0.465 53.486 54.000 -0.082 0.000 0.874 620 D CB 1.203 41.938 40.800 -0.110 0.000 1.034 620 D HN 0.688 nan 8.370 nan 0.000 0.502 621 D N 2.798 123.144 120.400 -0.090 0.000 2.384 621 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 621 D C 0.794 177.048 176.300 -0.076 0.000 0.976 621 D CA 0.745 54.688 54.000 -0.094 0.000 0.915 621 D CB -0.028 40.715 40.800 -0.096 0.000 0.896 621 D HN 0.402 nan 8.370 nan 0.000 0.523 622 K N -0.398 119.964 120.400 -0.064 0.000 2.393 622 K HA 0.181 4.501 4.320 -0.000 0.000 0.193 622 K C 0.499 177.092 176.600 -0.012 0.000 1.026 622 K CA 0.026 56.293 56.287 -0.033 0.000 1.064 622 K CB 0.592 33.075 32.500 -0.029 0.000 0.833 622 K HN -0.002 nan 8.250 nan 0.000 0.521 623 R N 1.266 121.725 120.500 -0.068 0.000 2.681 623 R HA 0.353 4.692 4.340 -0.000 0.000 0.277 623 R C -1.021 175.206 176.300 -0.121 0.000 1.563 623 R CA -0.126 55.910 56.100 -0.107 0.000 1.673 623 R CB 0.615 30.677 30.300 -0.398 0.000 1.258 623 R HN -0.005 nan 8.270 nan 0.000 0.650 624 I N 0.994 121.647 120.570 0.138 0.000 2.433 624 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 624 I C -0.044 176.365 176.117 0.487 0.000 1.001 624 I CA -0.788 60.637 61.300 0.208 0.000 1.119 624 I CB 1.993 39.954 38.000 -0.065 0.000 1.289 624 I HN 0.302 nan 8.210 nan 0.000 0.438 625 A N 6.893 130.104 122.820 0.653 0.000 2.435 625 A HA 0.929 5.248 4.320 -0.000 0.000 0.296 625 A C -1.208 176.753 177.584 0.628 0.000 1.147 625 A CA -0.651 51.745 52.037 0.598 0.000 0.775 625 A CB 2.161 21.360 19.000 0.330 0.000 1.340 625 A HN 0.727 nan 8.150 nan 0.000 0.427 626 I N 0.427 121.283 120.570 0.476 0.000 2.752 626 I HA 0.681 4.851 4.170 -0.000 0.000 0.295 626 I C -1.925 174.450 176.117 0.430 0.000 1.219 626 I CA -0.579 60.944 61.300 0.372 0.000 1.030 626 I CB 1.648 39.636 38.000 -0.020 0.000 1.259 626 I HN 0.940 nan 8.210 nan 0.000 0.423 627 W N 7.079 128.518 121.300 0.233 0.000 3.118 627 W HA 0.876 5.535 4.660 -0.001 0.000 0.328 627 W C -1.409 175.261 176.519 0.252 0.000 1.239 627 W CA -1.045 56.442 57.345 0.237 0.000 1.176 627 W CB 1.156 30.808 29.460 0.320 0.000 1.433 627 W HN 0.821 nan 8.180 nan 0.000 0.562 628 G N 0.663 109.365 108.800 -0.163 0.000 2.601 628 G HA2 0.452 4.411 3.960 -0.000 0.000 0.291 628 G HA3 0.452 4.411 3.960 -0.000 0.000 0.291 628 G C -2.812 172.016 174.900 -0.120 0.000 1.456 628 G CA -0.754 44.104 45.100 -0.404 0.000 0.804 628 G HN 0.600 nan 8.290 nan 0.000 0.499 629 W N 1.027 122.201 121.300 -0.210 0.000 2.702 629 W HA 0.593 5.253 4.660 -0.001 0.000 0.331 629 W C 0.809 177.383 176.519 0.091 0.000 1.049 629 W CA 0.425 57.740 57.345 -0.050 0.000 1.230 629 W CB 1.873 31.298 29.460 -0.058 0.000 1.408 629 W HN 1.183 nan 8.180 nan 0.000 0.492 630 S N 2.709 118.639 115.700 0.384 0.000 4.140 630 S HA -0.429 4.041 4.470 -0.000 0.000 0.618 630 S C 1.141 175.845 174.600 0.174 0.000 1.896 630 S CA 1.863 60.291 58.200 0.380 0.000 4.240 630 S CB -1.824 61.764 63.200 0.647 0.000 0.208 630 S HN 0.716 nan 8.310 nan 0.000 0.487 631 Y N 2.490 122.801 120.300 0.019 0.000 2.224 631 Y HA 0.050 4.600 4.550 -0.001 0.000 0.289 631 Y C 2.383 178.188 175.900 -0.158 0.000 1.146 631 Y CA 2.533 60.526 58.100 -0.177 0.000 1.182 631 Y CB -1.033 37.109 38.460 -0.529 0.000 0.983 631 Y HN 0.518 nan 8.280 nan 0.000 0.524 632 G N -0.979 107.827 108.800 0.009 0.000 2.432 632 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.219 632 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.219 632 G C 1.892 176.820 174.900 0.046 0.000 1.135 632 G CA 0.761 45.905 45.100 0.074 0.000 0.767 632 G HN 0.573 nan 8.290 nan 0.000 0.550 633 G N -0.302 108.533 108.800 0.059 0.000 2.403 633 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 633 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 633 G C 1.588 176.505 174.900 0.029 0.000 1.154 633 G CA 1.002 46.122 45.100 0.032 0.000 0.784 633 G HN 0.409 nan 8.290 nan 0.000 0.538 634 Y N 1.474 121.670 120.300 -0.173 0.000 2.145 634 Y HA -0.118 4.432 4.550 -0.000 0.000 0.286 634 Y C 2.723 178.522 175.900 -0.169 0.000 1.145 634 Y CA 1.529 59.476 58.100 -0.256 0.000 1.148 634 Y CB -0.486 37.666 38.460 -0.513 0.000 0.981 634 Y HN 0.028 nan 8.280 nan 0.000 0.507 635 V N -0.294 119.474 119.914 -0.243 0.000 2.343 635 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 635 V C 2.335 178.314 176.094 -0.192 0.000 1.051 635 V CA 2.413 64.570 62.300 -0.239 0.000 1.036 635 V CB -1.208 30.617 31.823 0.004 0.000 0.654 635 V HN 0.480 nan 8.190 nan 0.000 0.451 636 T N -0.012 114.484 114.554 -0.096 0.000 2.665 636 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 636 T C 2.128 176.767 174.700 -0.101 0.000 1.035 636 T CA 2.092 64.148 62.100 -0.072 0.000 1.151 636 T CB -0.289 68.616 68.868 0.063 0.000 0.862 636 T HN 0.527 nan 8.240 nan 0.000 0.438 637 S N 0.904 116.577 115.700 -0.044 0.000 2.383 637 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 637 S C 2.107 176.634 174.600 -0.122 0.000 1.026 637 S CA 0.878 59.081 58.200 0.004 0.000 0.981 637 S CB -0.251 62.993 63.200 0.075 0.000 0.818 637 S HN 0.310 nan 8.310 nan 0.000 0.472 638 M N 0.923 120.355 119.600 -0.280 0.000 2.175 638 M HA -0.000 4.480 4.480 -0.000 0.000 0.264 638 M C 2.186 178.328 176.300 -0.263 0.000 1.063 638 M CA 0.993 56.111 55.300 -0.302 0.000 1.119 638 M CB -1.400 30.919 32.600 -0.468 0.000 1.377 638 M HN 0.172 nan 8.290 nan 0.000 0.415 639 V N 0.634 120.378 119.914 -0.283 0.000 2.270 639 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 639 V C 2.540 178.420 176.094 -0.357 0.000 1.043 639 V CA 1.399 63.521 62.300 -0.298 0.000 1.014 639 V CB -0.680 30.886 31.823 -0.427 0.000 0.645 639 V HN 0.394 nan 8.190 nan 0.000 0.447 640 L N 0.472 121.422 121.223 -0.455 0.000 2.127 640 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 640 L C 2.227 178.582 176.870 -0.859 0.000 1.089 640 L CA 1.673 56.165 54.840 -0.580 0.000 0.757 640 L CB -0.828 40.859 42.059 -0.620 0.000 0.899 640 L HN 0.512 nan 8.230 nan 0.000 0.434 641 G N -1.415 106.854 108.800 -0.884 0.000 3.233 641 G HA2 0.224 4.184 3.960 -0.000 0.000 0.227 641 G HA3 0.224 4.184 3.960 -0.000 0.000 0.227 641 G C 1.368 176.087 174.900 -0.301 0.000 1.175 641 G CA 0.491 45.151 45.100 -0.732 0.000 0.781 641 G HN 0.383 nan 8.290 nan 0.000 0.542 642 A N -0.168 122.507 122.820 -0.242 0.000 2.123 642 A HA 0.456 4.776 4.320 -0.000 0.000 0.214 642 A C 2.092 179.629 177.584 -0.078 0.000 1.152 642 A CA 1.187 53.153 52.037 -0.119 0.000 0.728 642 A CB -0.321 18.632 19.000 -0.078 0.000 0.814 642 A HN 1.417 nan 8.150 nan 0.000 0.464 643 G N 0.069 108.810 108.800 -0.099 0.000 2.198 643 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.260 643 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.260 643 G C 0.993 175.885 174.900 -0.014 0.000 1.025 643 G CA 1.270 46.338 45.100 -0.054 0.000 0.769 643 G HN 1.456 nan 8.290 nan 0.000 0.507 644 S N -0.907 114.800 115.700 0.012 0.000 2.522 644 S HA 0.342 4.812 4.470 -0.000 0.000 0.227 644 S C 2.455 177.072 174.600 0.028 0.000 0.986 644 S CA 1.394 59.615 58.200 0.035 0.000 0.929 644 S CB -0.075 63.177 63.200 0.086 0.000 0.769 644 S HN 2.347 nan 8.310 nan 0.000 0.529 645 G N 0.446 109.267 108.800 0.035 0.000 2.196 645 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.268 645 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.268 645 G C 0.840 175.736 174.900 -0.006 0.000 0.975 645 G CA 0.543 45.654 45.100 0.019 0.000 0.648 645 G HN 0.685 nan 8.290 nan 0.000 0.538 646 V N -0.467 119.429 119.914 -0.029 0.000 2.427 646 V HA 0.184 4.303 4.120 -0.000 0.000 0.248 646 V C 1.311 177.173 176.094 -0.388 0.000 1.051 646 V CA 1.665 63.813 62.300 -0.253 0.000 1.048 646 V CB -0.413 31.149 31.823 -0.436 0.000 0.666 646 V HN 0.316 nan 8.190 nan 0.000 0.456 647 F N -0.202 119.771 119.950 0.037 0.000 2.421 647 F HA 0.406 4.933 4.527 -0.000 0.000 0.337 647 F C 1.079 176.928 175.800 0.082 0.000 1.105 647 F CA -0.596 57.452 58.000 0.079 0.000 1.049 647 F CB 1.340 40.388 39.000 0.081 0.000 1.139 647 F HN -0.257 nan 8.300 nan 0.000 0.479 648 K N 1.412 121.982 120.400 0.283 0.000 2.166 648 K HA 0.134 4.454 4.320 -0.000 0.000 0.201 648 K C -0.137 176.600 176.600 0.228 0.000 1.052 648 K CA 0.851 57.267 56.287 0.214 0.000 0.969 648 K CB 0.282 32.909 32.500 0.211 0.000 0.761 648 K HN 0.815 nan 8.250 nan 0.000 0.459 649 c N -2.990 115.786 118.600 0.294 0.000 3.320 649 c HA 0.898 5.468 4.570 -0.000 0.000 0.335 649 c C -0.248 174.074 174.090 0.386 0.000 1.430 649 c CA -0.598 55.922 56.329 0.320 0.000 1.271 649 c CB 1.081 43.709 42.510 0.197 0.000 1.609 649 c HN 0.342 nan 8.230 nan 0.000 0.457 650 G N -0.196 108.898 108.800 0.490 0.000 2.601 650 G HA2 0.704 4.664 3.960 -0.000 0.000 0.291 650 G HA3 0.704 4.664 3.960 -0.000 0.000 0.291 650 G C -2.071 173.072 174.900 0.407 0.000 1.456 650 G CA -0.667 44.691 45.100 0.431 0.000 0.804 650 G HN 1.019 nan 8.290 nan 0.000 0.499 651 I N 0.685 121.452 120.570 0.328 0.000 2.499 651 I HA 0.615 4.785 4.170 -0.000 0.000 0.288 651 I C 0.113 176.348 176.117 0.197 0.000 1.048 651 I CA -0.957 60.411 61.300 0.113 0.000 1.062 651 I CB 2.229 40.283 38.000 0.090 0.000 1.238 651 I HN 0.685 nan 8.210 nan 0.000 0.426 652 A N 6.425 129.261 122.820 0.028 0.000 2.318 652 A HA 0.810 5.129 4.320 -0.000 0.000 0.317 652 A C -0.763 176.735 177.584 -0.144 0.000 1.159 652 A CA -0.524 51.533 52.037 0.035 0.000 0.799 652 A CB 1.256 20.333 19.000 0.129 0.000 1.194 652 A HN 0.435 nan 8.150 nan 0.000 0.479 653 V N 1.980 121.755 119.914 -0.231 0.000 2.417 653 V HA 0.574 4.694 4.120 -0.000 0.000 0.291 653 V C 0.968 176.672 176.094 -0.650 0.000 1.024 653 V CA 0.284 62.229 62.300 -0.592 0.000 0.861 653 V CB 0.853 31.994 31.823 -1.136 0.000 0.985 653 V HN 2.115 nan 8.190 nan 0.000 0.436 654 A N 5.420 127.830 122.820 -0.685 0.000 2.511 654 A HA -0.108 4.212 4.320 -0.000 0.000 0.297 654 A C -1.660 175.750 177.584 -0.290 0.000 1.476 654 A CA 0.480 52.019 52.037 -0.829 0.000 0.757 654 A CB -1.570 17.105 19.000 -0.542 0.000 1.072 654 A HN 0.635 nan 8.150 nan 0.000 0.413 655 P HA 0.404 nan 4.420 nan 0.000 0.278 655 P C 0.184 177.436 177.300 -0.079 0.000 1.238 655 P CA -0.158 62.905 63.100 -0.060 0.000 0.794 655 P CB 1.381 33.074 31.700 -0.011 0.000 0.955 656 V N 2.571 122.344 119.914 -0.236 0.000 2.686 656 V HA 0.071 4.191 4.120 -0.000 0.000 0.295 656 V C 1.701 177.588 176.094 -0.346 0.000 1.055 656 V CA 0.990 63.001 62.300 -0.482 0.000 1.050 656 V CB 0.844 31.981 31.823 -1.143 0.000 0.984 656 V HN 0.842 nan 8.190 nan 0.000 0.482 657 S N 2.752 118.280 115.700 -0.286 0.000 2.589 657 S HA 0.306 4.776 4.470 -0.000 0.000 0.235 657 S C 0.273 174.716 174.600 -0.262 0.000 1.051 657 S CA -0.262 57.850 58.200 -0.147 0.000 0.978 657 S CB 0.275 63.449 63.200 -0.042 0.000 0.929 657 S HN 0.662 nan 8.310 nan 0.000 0.523 658 K N -0.369 119.745 120.400 -0.476 0.000 2.589 658 K HA 0.277 4.597 4.320 -0.000 0.000 0.253 658 K C -1.087 175.177 176.600 -0.560 0.000 0.974 658 K CA -0.656 55.302 56.287 -0.549 0.000 0.835 658 K CB 0.602 32.651 32.500 -0.751 0.000 1.272 658 K HN 0.133 nan 8.250 nan 0.000 0.444 659 W N 2.144 123.380 121.300 -0.107 0.000 2.364 659 W HA -0.121 4.538 4.660 -0.001 0.000 0.281 659 W C 1.228 177.878 176.519 0.219 0.000 1.219 659 W CA 0.758 58.133 57.345 0.049 0.000 1.220 659 W CB 0.249 29.689 29.460 -0.033 0.000 1.127 659 W HN 0.753 nan 8.180 nan 0.000 0.556 660 E N -1.120 119.234 120.200 0.256 0.000 2.338 660 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 660 E C 1.326 178.053 176.600 0.211 0.000 1.007 660 E CA 0.961 57.460 56.400 0.165 0.000 0.849 660 E CB -0.397 29.290 29.700 -0.022 0.000 0.774 660 E HN 0.363 nan 8.360 nan 0.000 0.506 661 Y N -1.485 118.893 120.300 0.130 0.000 2.517 661 Y HA 0.087 4.636 4.550 -0.001 0.000 0.281 661 Y C 0.659 176.642 175.900 0.139 0.000 1.125 661 Y CA -0.422 57.724 58.100 0.076 0.000 1.283 661 Y CB -0.447 38.000 38.460 -0.022 0.000 1.042 661 Y HN 0.024 nan 8.280 nan 0.000 0.547 662 Y N 2.008 122.438 120.300 0.217 0.000 2.334 662 Y HA 0.263 4.813 4.550 -0.000 0.000 0.325 662 Y C 0.382 176.489 175.900 0.344 0.000 1.308 662 Y CA -2.082 56.157 58.100 0.231 0.000 1.389 662 Y CB 0.294 38.912 38.460 0.264 0.000 1.328 662 Y HN 0.203 nan 8.280 nan 0.000 0.532 663 D N -0.634 119.446 120.400 -0.534 0.000 2.382 663 D HA 0.093 4.733 4.640 -0.000 0.000 0.240 663 D C 0.940 177.203 176.300 -0.063 0.000 1.146 663 D CA 0.366 54.150 54.000 -0.360 0.000 0.897 663 D CB 0.833 41.202 40.800 -0.719 0.000 1.197 663 D HN 0.469 nan 8.370 nan 0.000 0.432 664 S N 1.106 116.788 115.700 -0.030 0.000 2.348 664 S HA -0.226 4.243 4.470 -0.000 0.000 0.221 664 S C 1.939 176.571 174.600 0.053 0.000 1.033 664 S CA 1.163 59.402 58.200 0.065 0.000 1.010 664 S CB -1.019 62.227 63.200 0.076 0.000 0.891 664 S HN 0.435 nan 8.310 nan 0.000 0.442 665 V N 0.905 120.789 119.914 -0.050 0.000 2.255 665 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 665 V C 2.316 178.350 176.094 -0.100 0.000 1.051 665 V CA 2.330 64.530 62.300 -0.167 0.000 1.018 665 V CB -1.086 30.467 31.823 -0.450 0.000 0.641 665 V HN 0.603 nan 8.190 nan 0.000 0.445 666 Y N 1.258 121.500 120.300 -0.097 0.000 2.153 666 Y HA -0.209 4.341 4.550 -0.001 0.000 0.289 666 Y C 2.742 178.659 175.900 0.029 0.000 1.127 666 Y CA 2.269 60.391 58.100 0.036 0.000 1.131 666 Y CB -0.634 38.034 38.460 0.347 0.000 0.995 666 Y HN 0.223 nan 8.280 nan 0.000 0.505 667 T N 0.358 115.161 114.554 0.414 0.000 2.684 667 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 667 T C 1.593 176.293 174.700 -0.001 0.000 1.036 667 T CA 1.994 64.272 62.100 0.297 0.000 1.148 667 T CB -0.328 68.849 68.868 0.516 0.000 0.863 667 T HN 0.433 nan 8.240 nan 0.000 0.436 668 E N 0.433 120.650 120.200 0.028 0.000 2.204 668 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 668 E C 2.363 178.856 176.600 -0.178 0.000 0.989 668 E CA 0.487 56.886 56.400 -0.002 0.000 0.824 668 E CB -0.107 29.633 29.700 0.067 0.000 0.756 668 E HN 0.321 nan 8.360 nan 0.000 0.477 669 R N -0.049 120.208 120.500 -0.405 0.000 2.105 669 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 669 R C 1.249 177.061 176.300 -0.814 0.000 1.135 669 R CA 1.610 57.300 56.100 -0.684 0.000 0.967 669 R CB -0.003 29.599 30.300 -1.164 0.000 0.861 669 R HN 0.231 nan 8.270 nan 0.000 0.442 670 Y N -2.361 117.653 120.300 -0.477 0.000 2.507 670 Y HA 0.223 4.773 4.550 -0.000 0.000 0.263 670 Y C 1.593 177.285 175.900 -0.347 0.000 1.093 670 Y CA 0.052 57.850 58.100 -0.504 0.000 1.285 670 Y CB 0.466 38.478 38.460 -0.746 0.000 1.115 670 Y HN -0.031 nan 8.280 nan 0.000 0.533 671 M N -0.433 119.035 119.600 -0.220 0.000 2.313 671 M HA 0.376 4.856 4.480 -0.000 0.000 0.273 671 M C 1.010 177.290 176.300 -0.035 0.000 1.049 671 M CA 0.667 55.817 55.300 -0.250 0.000 1.004 671 M CB -0.285 31.949 32.600 -0.609 0.000 1.461 671 M HN 0.315 nan 8.290 nan 0.000 0.514 672 G N 1.795 110.604 108.800 0.014 0.000 2.645 672 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.246 672 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.246 672 G C -0.686 174.340 174.900 0.210 0.000 1.322 672 G CA -0.858 44.293 45.100 0.084 0.000 0.898 672 G HN 0.228 nan 8.290 nan 0.000 0.573 673 L N 2.493 123.808 121.223 0.153 0.000 2.350 673 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 673 L C -1.133 175.760 176.870 0.038 0.000 1.099 673 L CA -1.927 52.971 54.840 0.096 0.000 0.808 673 L CB 0.946 43.023 42.059 0.029 0.000 1.149 673 L HN 0.455 nan 8.230 nan 0.000 0.442 674 P HA 0.085 nan 4.420 nan 0.000 0.218 674 P C -0.608 176.541 177.300 -0.251 0.000 1.793 674 P CA -0.131 62.563 63.100 -0.677 0.000 0.941 674 P CB -0.412 30.528 31.700 -1.267 0.000 1.919 675 T N -2.831 111.672 114.554 -0.085 0.000 2.924 675 T HA 0.448 4.798 4.350 -0.000 0.000 0.291 675 T C -1.970 172.736 174.700 0.010 0.000 1.045 675 T CA -2.384 59.694 62.100 -0.037 0.000 1.015 675 T CB 1.916 70.771 68.868 -0.023 0.000 1.103 675 T HN -0.201 nan 8.240 nan 0.000 0.496 676 P HA -0.152 nan 4.420 nan 0.000 0.218 676 P C 1.171 178.492 177.300 0.035 0.000 1.148 676 P CA 1.190 64.308 63.100 0.030 0.000 0.822 676 P CB 0.142 31.854 31.700 0.020 0.000 0.784 677 E N -0.983 119.230 120.200 0.023 0.000 2.482 677 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 677 E C 0.877 177.494 176.600 0.028 0.000 1.047 677 E CA 0.611 57.025 56.400 0.022 0.000 0.869 677 E CB -0.185 29.521 29.700 0.011 0.000 0.836 677 E HN 0.216 nan 8.360 nan 0.000 0.520 678 D N 1.206 121.630 120.400 0.040 0.000 3.112 678 D HA 0.064 4.704 4.640 -0.000 0.000 0.212 678 D C 0.366 176.717 176.300 0.086 0.000 1.376 678 D CA -0.142 53.889 54.000 0.052 0.000 1.411 678 D CB -0.180 40.651 40.800 0.051 0.000 0.965 678 D HN 0.073 nan 8.370 nan 0.000 0.192 679 N N 0.122 118.908 118.700 0.143 0.000 2.238 679 N HA 0.052 4.792 4.740 -0.000 0.000 0.235 679 N C 1.410 177.139 175.510 0.365 0.000 1.209 679 N CA -0.110 53.077 53.050 0.227 0.000 0.879 679 N CB 0.851 39.468 38.487 0.216 0.000 1.136 679 N HN 0.014 nan 8.380 nan 0.000 0.517 680 L N 1.258 122.618 121.223 0.228 0.000 2.051 680 L HA -0.215 4.124 4.340 -0.000 0.000 0.214 680 L C 1.432 178.445 176.870 0.238 0.000 1.076 680 L CA 1.989 56.940 54.840 0.185 0.000 0.758 680 L CB -0.416 41.678 42.059 0.058 0.000 0.890 680 L HN 0.174 nan 8.230 nan 0.000 0.433 681 D N -1.355 119.173 120.400 0.214 0.000 2.149 681 D HA -0.234 4.406 4.640 -0.000 0.000 0.198 681 D C 2.022 178.393 176.300 0.118 0.000 0.990 681 D CA 1.666 55.758 54.000 0.153 0.000 0.839 681 D CB -0.235 40.650 40.800 0.141 0.000 0.948 681 D HN 0.463 nan 8.370 nan 0.000 0.460 682 Y N -0.751 119.610 120.300 0.102 0.000 2.457 682 Y HA -0.058 4.491 4.550 -0.001 0.000 0.292 682 Y C 1.988 177.939 175.900 0.085 0.000 1.125 682 Y CA 0.267 58.400 58.100 0.054 0.000 1.254 682 Y CB -0.396 38.055 38.460 -0.015 0.000 1.012 682 Y HN 0.044 nan 8.280 nan 0.000 0.555 683 Y N -0.286 120.121 120.300 0.179 0.000 2.220 683 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 683 Y C 2.386 178.347 175.900 0.102 0.000 1.129 683 Y CA 1.097 59.294 58.100 0.161 0.000 1.161 683 Y CB 0.031 38.565 38.460 0.124 0.000 0.997 683 Y HN -0.130 nan 8.280 nan 0.000 0.522 684 R N 0.495 121.131 120.500 0.227 0.000 2.073 684 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 684 R C 1.232 177.563 176.300 0.051 0.000 1.134 684 R CA 1.558 57.720 56.100 0.103 0.000 0.952 684 R CB -1.059 29.279 30.300 0.062 0.000 0.850 684 R HN 0.486 nan 8.270 nan 0.000 0.433 685 N N 0.147 118.855 118.700 0.013 0.000 2.295 685 N HA -0.035 4.704 4.740 -0.000 0.000 0.221 685 N C 0.061 175.578 175.510 0.013 0.000 1.129 685 N CA 0.261 53.298 53.050 -0.021 0.000 0.836 685 N CB 0.361 38.791 38.487 -0.095 0.000 1.040 685 N HN 0.033 nan 8.380 nan 0.000 0.494 686 S N -1.667 114.088 115.700 0.091 0.000 2.663 686 S HA 0.097 4.566 4.470 -0.000 0.000 0.243 686 S C 0.474 175.206 174.600 0.221 0.000 1.009 686 S CA -0.454 57.854 58.200 0.181 0.000 0.988 686 S CB -0.633 62.740 63.200 0.288 0.000 0.896 686 S HN 0.327 nan 8.310 nan 0.000 0.502 687 T N -0.891 113.724 114.554 0.102 0.000 2.882 687 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 687 T C 1.359 176.083 174.700 0.041 0.000 1.014 687 T CA -0.528 61.596 62.100 0.039 0.000 1.049 687 T CB 1.275 70.122 68.868 -0.036 0.000 1.001 687 T HN -0.037 nan 8.240 nan 0.000 0.525 688 V N 1.646 121.573 119.914 0.021 0.000 2.548 688 V HA -0.116 4.004 4.120 -0.000 0.000 0.249 688 V C 2.612 178.685 176.094 -0.034 0.000 1.055 688 V CA 1.435 63.730 62.300 -0.009 0.000 1.065 688 V CB -1.029 30.771 31.823 -0.039 0.000 0.681 688 V HN 0.804 nan 8.190 nan 0.000 0.462 689 M N 1.363 120.926 119.600 -0.063 0.000 2.144 689 M HA -0.174 4.305 4.480 -0.000 0.000 0.260 689 M C 2.335 178.615 176.300 -0.034 0.000 1.067 689 M CA 2.135 57.391 55.300 -0.074 0.000 1.095 689 M CB -1.018 31.547 32.600 -0.058 0.000 1.365 689 M HN 0.539 nan 8.290 nan 0.000 0.406 690 S N -0.285 115.407 115.700 -0.013 0.000 2.500 690 S HA -0.083 4.387 4.470 -0.000 0.000 0.239 690 S C 1.697 176.304 174.600 0.013 0.000 0.989 690 S CA 0.733 58.932 58.200 -0.002 0.000 0.951 690 S CB -0.388 62.811 63.200 -0.001 0.000 0.759 690 S HN 0.564 nan 8.310 nan 0.000 0.523 691 R N 0.046 120.569 120.500 0.037 0.000 2.509 691 R HA 0.469 4.809 4.340 -0.000 0.000 0.300 691 R C 2.048 178.459 176.300 0.185 0.000 0.985 691 R CA 0.404 56.551 56.100 0.079 0.000 1.092 691 R CB -0.049 30.291 30.300 0.065 0.000 1.237 691 R HN 0.438 nan 8.270 nan 0.000 0.546 692 A N 1.701 124.579 122.820 0.097 0.000 1.903 692 A HA -0.277 4.042 4.320 -0.000 0.000 0.219 692 A C 1.778 179.457 177.584 0.158 0.000 1.191 692 A CA 1.776 53.848 52.037 0.058 0.000 0.638 692 A CB -0.230 18.733 19.000 -0.061 0.000 0.823 692 A HN 0.200 nan 8.150 nan 0.000 0.451 693 E N 0.088 120.345 120.200 0.096 0.000 2.130 693 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 693 E C 1.708 178.366 176.600 0.096 0.000 0.998 693 E CA 1.612 58.062 56.400 0.084 0.000 0.806 693 E CB -0.465 29.264 29.700 0.048 0.000 0.738 693 E HN 0.812 nan 8.360 nan 0.000 0.459 694 N N -0.909 117.839 118.700 0.081 0.000 2.453 694 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 694 N C 0.800 176.271 175.510 -0.066 0.000 1.041 694 N CA 0.122 53.162 53.050 -0.016 0.000 0.900 694 N CB -0.092 38.331 38.487 -0.108 0.000 0.961 694 N HN 0.113 nan 8.380 nan 0.000 0.443 695 F N 1.507 121.413 119.950 -0.074 0.000 2.604 695 F HA 0.011 4.537 4.527 -0.000 0.000 0.298 695 F C 1.915 177.724 175.800 0.015 0.000 1.131 695 F CA 0.694 58.648 58.000 -0.076 0.000 1.457 695 F CB -0.003 38.899 39.000 -0.164 0.000 1.095 695 F HN -0.096 nan 8.300 nan 0.000 0.574 696 K N 0.023 120.525 120.400 0.169 0.000 2.209 696 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 696 K C 1.666 178.326 176.600 0.101 0.000 1.048 696 K CA 1.224 57.593 56.287 0.136 0.000 0.940 696 K CB -0.228 32.332 32.500 0.099 0.000 0.729 696 K HN 0.409 nan 8.250 nan 0.000 0.451 697 Q N 0.302 120.137 119.800 0.059 0.000 2.451 697 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 697 Q C 0.475 176.512 176.000 0.061 0.000 0.947 697 Q CA 0.268 56.097 55.803 0.043 0.000 0.937 697 Q CB 0.387 29.129 28.738 0.007 0.000 1.025 697 Q HN 0.166 nan 8.270 nan 0.000 0.511 698 V N -3.230 116.735 119.914 0.084 0.000 3.141 698 V HA 0.459 4.579 4.120 -0.000 0.000 0.312 698 V C -1.206 175.026 176.094 0.231 0.000 1.157 698 V CA -1.338 61.041 62.300 0.131 0.000 1.041 698 V CB 2.231 34.100 31.823 0.077 0.000 1.071 698 V HN -0.050 nan 8.190 nan 0.000 0.441 699 E N 1.254 121.620 120.200 0.277 0.000 2.109 699 E HA 0.475 4.824 4.350 -0.000 0.000 0.278 699 E C -1.849 175.122 176.600 0.618 0.000 0.954 699 E CA -0.306 56.322 56.400 0.380 0.000 0.779 699 E CB 1.703 31.542 29.700 0.231 0.000 1.093 699 E HN 0.679 nan 8.360 nan 0.000 0.401 700 Y N 3.358 123.929 120.300 0.452 0.000 2.446 700 Y HA 0.461 5.011 4.550 -0.001 0.000 0.345 700 Y C -1.585 174.407 175.900 0.154 0.000 0.984 700 Y CA -1.222 57.088 58.100 0.350 0.000 1.058 700 Y CB 1.105 39.797 38.460 0.388 0.000 1.220 700 Y HN 0.439 nan 8.280 nan 0.000 0.455 701 L N 7.949 128.868 121.223 -0.506 0.000 2.349 701 L HA 0.506 4.845 4.340 -0.000 0.000 0.278 701 L C -1.819 174.560 176.870 -0.819 0.000 0.996 701 L CA -0.815 53.580 54.840 -0.741 0.000 0.825 701 L CB 1.302 42.611 42.059 -1.251 0.000 1.243 701 L HN 0.696 nan 8.230 nan 0.000 0.412 702 L N 6.524 127.367 121.223 -0.634 0.000 2.305 702 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 702 L C -0.990 175.739 176.870 -0.235 0.000 1.013 702 L CA -0.502 54.027 54.840 -0.520 0.000 0.819 702 L CB 1.679 43.504 42.059 -0.390 0.000 1.227 702 L HN 0.616 nan 8.230 nan 0.000 0.417 703 I N 4.202 124.654 120.570 -0.198 0.000 2.545 703 I HA 0.484 4.654 4.170 -0.000 0.000 0.292 703 I C -0.930 175.175 176.117 -0.020 0.000 1.040 703 I CA -0.708 60.532 61.300 -0.099 0.000 1.068 703 I CB 2.012 39.918 38.000 -0.156 0.000 1.251 703 I HN 0.531 nan 8.210 nan 0.000 0.424 704 H N 2.954 122.077 119.070 0.089 0.000 3.085 704 H HA 0.394 4.950 4.556 -0.000 0.000 0.356 704 H C -0.775 174.771 175.328 0.364 0.000 1.178 704 H CA -0.553 55.601 56.048 0.177 0.000 1.214 704 H CB 2.487 32.337 29.762 0.146 0.000 1.881 704 H HN 0.751 nan 8.280 nan 0.000 0.538 705 G N 0.987 110.129 108.800 0.571 0.000 2.390 705 G HA2 0.225 4.185 3.960 -0.000 0.000 0.270 705 G HA3 0.225 4.185 3.960 -0.000 0.000 0.270 705 G C 1.103 176.244 174.900 0.403 0.000 1.211 705 G CA 0.190 45.565 45.100 0.459 0.000 0.842 705 G HN 0.649 nan 8.290 nan 0.000 0.519 706 T N -0.720 113.911 114.554 0.128 0.000 3.035 706 T HA 0.099 4.448 4.350 -0.000 0.000 0.268 706 T C 1.595 176.236 174.700 -0.099 0.000 1.109 706 T CA 1.211 63.184 62.100 -0.213 0.000 1.119 706 T CB 0.183 68.831 68.868 -0.367 0.000 0.900 706 T HN 0.693 nan 8.240 nan 0.000 0.503 707 A N 1.006 123.858 122.820 0.053 0.000 2.708 707 A HA 0.327 4.647 4.320 -0.000 0.000 0.293 707 A C 0.307 177.880 177.584 -0.018 0.000 1.303 707 A CA -0.536 51.525 52.037 0.040 0.000 0.949 707 A CB -0.212 19.070 19.000 0.470 0.000 1.121 707 A HN 0.369 nan 8.150 nan 0.000 0.542 708 D N 1.533 121.927 120.400 -0.009 0.000 2.344 708 D HA 0.014 4.653 4.640 -0.000 0.000 0.253 708 D C 0.263 176.546 176.300 -0.028 0.000 1.255 708 D CA 0.026 54.127 54.000 0.168 0.000 0.894 708 D CB 0.718 41.774 40.800 0.428 0.000 1.067 708 D HN 0.553 nan 8.370 nan 0.000 0.492 709 D N 2.311 122.744 120.400 0.056 0.000 2.355 709 D HA -0.130 4.510 4.640 -0.000 0.000 0.218 709 D C 0.881 177.150 176.300 -0.051 0.000 1.004 709 D CA -0.068 53.910 54.000 -0.036 0.000 0.880 709 D CB 0.492 41.245 40.800 -0.078 0.000 0.911 709 D HN 0.223 nan 8.370 nan 0.000 0.528 710 N N 0.798 119.557 118.700 0.098 0.000 2.426 710 N HA -0.047 4.693 4.740 -0.000 0.000 0.205 710 N C -0.099 175.340 175.510 -0.118 0.000 1.040 710 N CA 0.461 53.586 53.050 0.126 0.000 0.990 710 N CB 0.401 38.965 38.487 0.129 0.000 1.215 710 N HN -0.116 nan 8.380 nan 0.000 0.491 711 V N 3.090 122.935 119.914 -0.116 0.000 2.320 711 V HA 0.220 4.339 4.120 -0.000 0.000 0.265 711 V C -0.468 175.658 176.094 0.053 0.000 1.048 711 V CA -0.456 61.821 62.300 -0.038 0.000 0.865 711 V CB -0.384 31.457 31.823 0.029 0.000 1.043 711 V HN 0.298 nan 8.190 nan 0.000 0.474 712 H N 3.333 122.371 119.070 -0.054 0.000 2.972 712 H HA -0.029 4.527 4.556 -0.000 0.000 0.343 712 H C 0.809 175.977 175.328 -0.266 0.000 1.054 712 H CA -0.039 55.894 56.048 -0.192 0.000 1.412 712 H CB 0.735 30.295 29.762 -0.337 0.000 1.385 712 H HN 0.640 nan 8.280 nan 0.000 0.600 713 F N 2.143 121.872 119.950 -0.369 0.000 2.192 713 F HA -0.305 4.222 4.527 -0.001 0.000 0.301 713 F C 2.559 178.060 175.800 -0.498 0.000 1.079 713 F CA 1.805 59.371 58.000 -0.723 0.000 1.303 713 F CB -0.219 38.546 39.000 -0.393 0.000 1.024 713 F HN 0.663 nan 8.300 nan 0.000 0.494 714 Q N 0.168 119.802 119.800 -0.275 0.000 2.156 714 Q HA -0.317 4.023 4.340 -0.000 0.000 0.211 714 Q C 2.093 177.818 176.000 -0.458 0.000 0.995 714 Q CA 2.300 57.888 55.803 -0.358 0.000 0.877 714 Q CB -0.343 28.170 28.738 -0.374 0.000 0.920 714 Q HN 0.600 nan 8.270 nan 0.000 0.416 715 Q N -0.385 119.196 119.800 -0.364 0.000 2.061 715 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 715 Q C 2.232 178.115 176.000 -0.195 0.000 0.984 715 Q CA 1.763 57.475 55.803 -0.152 0.000 0.846 715 Q CB -0.099 28.632 28.738 -0.010 0.000 0.902 715 Q HN 0.332 nan 8.270 nan 0.000 0.421 716 S N 0.475 115.949 115.700 -0.377 0.000 2.436 716 S HA 0.017 4.486 4.470 -0.000 0.000 0.228 716 S C 1.975 176.306 174.600 -0.449 0.000 1.014 716 S CA 0.657 58.646 58.200 -0.353 0.000 0.950 716 S CB -0.012 62.994 63.200 -0.324 0.000 0.784 716 S HN 0.449 nan 8.310 nan 0.000 0.504 717 A N 1.472 123.908 122.820 -0.640 0.000 1.898 717 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 717 A C 2.138 179.599 177.584 -0.205 0.000 1.181 717 A CA 1.042 52.831 52.037 -0.414 0.000 0.620 717 A CB -0.427 18.367 19.000 -0.344 0.000 0.819 717 A HN 0.352 nan 8.150 nan 0.000 0.442 718 Q N -0.998 118.689 119.800 -0.188 0.000 2.119 718 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 718 Q C 2.087 178.045 176.000 -0.071 0.000 0.972 718 Q CA 1.221 56.979 55.803 -0.074 0.000 0.847 718 Q CB -0.461 28.297 28.738 0.034 0.000 0.903 718 Q HN 0.588 nan 8.270 nan 0.000 0.433 719 L N 1.225 122.381 121.223 -0.112 0.000 2.027 719 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 719 L C 2.367 179.092 176.870 -0.242 0.000 1.074 719 L CA 2.343 57.081 54.840 -0.170 0.000 0.745 719 L CB -0.971 40.985 42.059 -0.172 0.000 0.898 719 L HN 0.207 nan 8.230 nan 0.000 0.433 720 S N -0.908 114.675 115.700 -0.195 0.000 2.382 720 S HA -0.294 4.175 4.470 -0.000 0.000 0.228 720 S C 2.119 176.715 174.600 -0.007 0.000 1.027 720 S CA 1.447 59.573 58.200 -0.124 0.000 0.991 720 S CB -0.688 62.594 63.200 0.137 0.000 0.823 720 S HN 0.561 nan 8.310 nan 0.000 0.469 721 K N 1.754 122.142 120.400 -0.021 0.000 2.097 721 K HA 0.052 4.372 4.320 -0.000 0.000 0.206 721 K C 2.260 178.852 176.600 -0.014 0.000 1.049 721 K CA 1.115 57.406 56.287 0.007 0.000 0.933 721 K CB -0.634 31.861 32.500 -0.008 0.000 0.717 721 K HN 0.442 nan 8.250 nan 0.000 0.442 722 A N 0.959 123.739 122.820 -0.065 0.000 1.930 722 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 722 A C 2.065 179.594 177.584 -0.092 0.000 1.175 722 A CA 1.110 53.103 52.037 -0.073 0.000 0.627 722 A CB -0.514 18.427 19.000 -0.099 0.000 0.815 722 A HN 0.309 nan 8.150 nan 0.000 0.443 723 L N -0.718 120.395 121.223 -0.183 0.000 2.056 723 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 723 L C 2.523 179.438 176.870 0.075 0.000 1.078 723 L CA 0.957 55.680 54.840 -0.194 0.000 0.749 723 L CB -0.541 41.113 42.059 -0.675 0.000 0.901 723 L HN 0.240 nan 8.230 nan 0.000 0.433 724 V N -0.148 119.864 119.914 0.162 0.000 2.343 724 V HA -0.284 3.835 4.120 -0.000 0.000 0.247 724 V C 2.004 178.154 176.094 0.094 0.000 1.051 724 V CA 1.872 64.283 62.300 0.186 0.000 1.036 724 V CB -0.476 31.443 31.823 0.159 0.000 0.654 724 V HN 0.423 nan 8.190 nan 0.000 0.451 725 D N 0.414 120.846 120.400 0.054 0.000 2.218 725 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 725 D C 1.873 178.194 176.300 0.035 0.000 0.976 725 D CA 1.460 55.481 54.000 0.035 0.000 0.853 725 D CB -0.134 40.676 40.800 0.017 0.000 0.939 725 D HN 0.487 nan 8.370 nan 0.000 0.481 726 A N -0.573 122.269 122.820 0.038 0.000 2.275 726 A HA 0.457 4.777 4.320 -0.000 0.000 0.212 726 A C 1.665 179.287 177.584 0.064 0.000 1.201 726 A CA 0.759 52.821 52.037 0.042 0.000 0.843 726 A CB -0.091 18.927 19.000 0.030 0.000 0.873 726 A HN 0.186 nan 8.150 nan 0.000 0.492 727 G N -0.880 107.968 108.800 0.080 0.000 2.176 727 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.252 727 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.252 727 G C 0.031 175.001 174.900 0.117 0.000 1.024 727 G CA 0.271 45.424 45.100 0.088 0.000 0.755 727 G HN 0.806 nan 8.290 nan 0.000 0.507 728 V N 0.510 120.522 119.914 0.163 0.000 2.407 728 V HA 0.503 4.622 4.120 -0.000 0.000 0.278 728 V C 0.386 176.691 176.094 0.351 0.000 1.037 728 V CA -0.564 61.868 62.300 0.221 0.000 0.900 728 V CB 1.752 33.696 31.823 0.202 0.000 0.983 728 V HN 0.391 nan 8.190 nan 0.000 0.459 729 D N 3.752 124.320 120.400 0.281 0.000 2.283 729 D HA 0.662 5.302 4.640 -0.000 0.000 0.248 729 D C -0.595 175.951 176.300 0.411 0.000 1.072 729 D CA 0.157 54.291 54.000 0.224 0.000 0.929 729 D CB 0.978 41.841 40.800 0.105 0.000 1.182 729 D HN 0.357 nan 8.370 nan 0.000 0.433 730 F N -1.072 118.957 119.950 0.130 0.000 2.858 730 F HA 0.430 4.957 4.527 -0.001 0.000 0.319 730 F C -1.388 174.469 175.800 0.095 0.000 1.166 730 F CA -1.082 57.021 58.000 0.172 0.000 0.899 730 F CB 0.666 39.808 39.000 0.237 0.000 1.332 730 F HN 0.216 nan 8.300 nan 0.000 0.461 731 Q N 0.276 120.171 119.800 0.158 0.000 2.351 731 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 731 Q C -1.207 174.793 176.000 0.000 0.000 1.077 731 Q CA -1.092 54.702 55.803 -0.015 0.000 0.843 731 Q CB 2.537 31.300 28.738 0.041 0.000 1.367 731 Q HN 0.837 nan 8.270 nan 0.000 0.449 732 T N 0.544 115.062 114.554 -0.059 0.000 2.864 732 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 732 T C -1.928 172.684 174.700 -0.146 0.000 1.166 732 T CA -0.585 61.491 62.100 -0.041 0.000 1.007 732 T CB 1.417 70.330 68.868 0.075 0.000 1.219 732 T HN 0.500 nan 8.240 nan 0.000 0.506 733 M N 3.492 122.985 119.600 -0.179 0.000 2.234 733 M HA 0.552 5.032 4.480 -0.000 0.000 0.267 733 M C -2.092 174.026 176.300 -0.303 0.000 1.022 733 M CA -0.662 54.377 55.300 -0.435 0.000 0.993 733 M CB 0.920 33.194 32.600 -0.544 0.000 1.836 733 M HN 0.706 nan 8.290 nan 0.000 0.479 734 W N 4.240 125.368 121.300 -0.287 0.000 2.448 734 W HA 0.754 5.414 4.660 -0.000 0.000 0.339 734 W C -1.912 174.332 176.519 -0.458 0.000 1.124 734 W CA -0.812 56.445 57.345 -0.147 0.000 1.262 734 W CB 0.256 29.669 29.460 -0.080 0.000 1.251 734 W HN 0.610 nan 8.180 nan 0.000 0.597 735 Y N 2.139 122.584 120.300 0.241 0.000 2.447 735 Y HA 0.286 4.836 4.550 -0.001 0.000 0.325 735 Y C 0.415 176.415 175.900 0.166 0.000 0.976 735 Y CA -1.242 56.920 58.100 0.103 0.000 1.280 735 Y CB 1.147 39.631 38.460 0.040 0.000 1.104 735 Y HN 0.433 nan 8.280 nan 0.000 0.486 736 T N 4.657 119.378 114.554 0.279 0.000 2.822 736 T HA -0.035 4.314 4.350 -0.000 0.000 0.288 736 T C 0.222 174.968 174.700 0.077 0.000 0.991 736 T CA 0.778 62.948 62.100 0.118 0.000 1.176 736 T CB -0.140 68.738 68.868 0.017 0.000 0.951 736 T HN 0.691 nan 8.240 nan 0.000 0.526 737 D N 0.819 121.235 120.400 0.028 0.000 3.046 737 D HA -0.125 4.515 4.640 -0.000 0.000 0.210 737 D C 0.288 176.705 176.300 0.195 0.000 1.124 737 D CA 1.149 55.112 54.000 -0.062 0.000 0.986 737 D CB -0.375 40.182 40.800 -0.404 0.000 1.118 737 D HN 0.570 nan 8.370 nan 0.000 0.416 738 E N 0.894 121.228 120.200 0.223 0.000 2.313 738 E HA 0.332 4.682 4.350 -0.000 0.000 0.272 738 E C 0.779 177.559 176.600 0.299 0.000 1.038 738 E CA -0.268 56.287 56.400 0.258 0.000 0.863 738 E CB 1.226 31.068 29.700 0.237 0.000 1.060 738 E HN 0.343 nan 8.360 nan 0.000 0.402 739 D N -0.354 120.236 120.400 0.317 0.000 2.541 739 D HA -0.002 4.637 4.640 -0.000 0.000 0.276 739 D C 1.083 177.617 176.300 0.391 0.000 1.190 739 D CA -0.176 54.037 54.000 0.355 0.000 1.095 739 D CB -0.226 40.807 40.800 0.389 0.000 1.173 739 D HN 0.405 nan 8.370 nan 0.000 0.604 740 H N -1.573 117.682 119.070 0.308 0.000 2.456 740 H HA 0.108 4.664 4.556 -0.000 0.000 0.296 740 H C 1.862 177.451 175.328 0.435 0.000 1.079 740 H CA 2.082 58.335 56.048 0.342 0.000 1.322 740 H CB -0.365 29.581 29.762 0.307 0.000 1.388 740 H HN 0.485 nan 8.280 nan 0.000 0.538 741 G N -0.464 108.513 108.800 0.294 0.000 2.777 741 G HA2 0.036 3.996 3.960 -0.000 0.000 0.211 741 G HA3 0.036 3.996 3.960 -0.000 0.000 0.211 741 G C 0.610 175.707 174.900 0.329 0.000 1.149 741 G CA 0.228 45.428 45.100 0.165 0.000 0.785 741 G HN 0.502 nan 8.290 nan 0.000 0.536 742 I N 0.097 120.873 120.570 0.344 0.000 5.115 742 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 742 I C 1.617 177.861 176.117 0.211 0.000 1.316 742 I CA 0.156 61.599 61.300 0.239 0.000 2.641 742 I CB -1.105 37.003 38.000 0.180 0.000 2.272 742 I HN 0.267 nan 8.210 nan 0.000 0.321 743 A N 1.214 124.134 122.820 0.166 0.000 2.308 743 A HA 0.244 4.563 4.320 -0.000 0.000 0.217 743 A C 1.232 178.862 177.584 0.076 0.000 1.216 743 A CA 0.591 52.689 52.037 0.101 0.000 0.864 743 A CB 0.079 19.109 19.000 0.049 0.000 0.902 743 A HN 0.665 nan 8.150 nan 0.000 0.499 744 S N -0.231 115.528 115.700 0.099 0.000 2.573 744 S HA 0.045 4.515 4.470 -0.000 0.000 0.277 744 S C 0.706 175.358 174.600 0.085 0.000 1.346 744 S CA 0.370 58.620 58.200 0.085 0.000 1.034 744 S CB 0.081 63.338 63.200 0.095 0.000 0.879 744 S HN 0.499 nan 8.310 nan 0.000 0.528 745 N N 1.136 119.874 118.700 0.063 0.000 2.104 745 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 745 N C 1.646 177.217 175.510 0.101 0.000 1.024 745 N CA 1.636 54.728 53.050 0.071 0.000 0.853 745 N CB -0.275 38.234 38.487 0.037 0.000 1.008 745 N HN 0.490 nan 8.380 nan 0.000 0.424 746 M N 0.505 120.154 119.600 0.081 0.000 2.200 746 M HA 0.069 4.549 4.480 -0.000 0.000 0.265 746 M C 2.263 178.620 176.300 0.095 0.000 1.066 746 M CA 0.841 56.192 55.300 0.084 0.000 1.127 746 M CB -1.301 31.339 32.600 0.067 0.000 1.379 746 M HN 0.173 nan 8.290 nan 0.000 0.420 747 A N -1.038 121.819 122.820 0.061 0.000 1.930 747 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 747 A C 2.074 179.624 177.584 -0.056 0.000 1.175 747 A CA 1.985 53.988 52.037 -0.056 0.000 0.627 747 A CB -1.047 17.883 19.000 -0.116 0.000 0.815 747 A HN 0.570 nan 8.150 nan 0.000 0.443 748 H N -0.078 118.986 119.070 -0.011 0.000 2.319 748 H HA -0.141 4.414 4.556 -0.000 0.000 0.299 748 H C 2.092 177.501 175.328 0.135 0.000 1.092 748 H CA 2.365 58.465 56.048 0.086 0.000 1.302 748 H CB -0.196 29.612 29.762 0.076 0.000 1.373 748 H HN 0.573 nan 8.280 nan 0.000 0.497 749 Q N -1.045 118.775 119.800 0.033 0.000 2.079 749 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 749 Q C 2.223 178.223 176.000 -0.000 0.000 0.974 749 Q CA 1.313 57.095 55.803 -0.034 0.000 0.840 749 Q CB -0.190 28.564 28.738 0.027 0.000 0.898 749 Q HN 0.639 nan 8.270 nan 0.000 0.430 750 H N 0.709 119.759 119.070 -0.032 0.000 2.357 750 H HA -0.072 4.484 4.556 -0.000 0.000 0.301 750 H C 2.020 177.352 175.328 0.006 0.000 1.082 750 H CA 1.249 57.310 56.048 0.022 0.000 1.342 750 H CB -0.003 29.818 29.762 0.099 0.000 1.389 750 H HN 0.271 nan 8.280 nan 0.000 0.511 751 I N 0.112 120.660 120.570 -0.037 0.000 2.315 751 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 751 I C 1.667 177.560 176.117 -0.374 0.000 1.117 751 I CA 1.222 62.407 61.300 -0.191 0.000 1.404 751 I CB -0.229 37.471 38.000 -0.499 0.000 1.071 751 I HN 0.148 nan 8.210 nan 0.000 0.419 752 Y N 0.727 120.819 120.300 -0.348 0.000 2.337 752 Y HA -0.150 4.400 4.550 -0.001 0.000 0.293 752 Y C 2.678 178.377 175.900 -0.335 0.000 1.123 752 Y CA 1.602 59.370 58.100 -0.554 0.000 1.201 752 Y CB -0.647 37.486 38.460 -0.545 0.000 1.011 752 Y HN 0.123 nan 8.280 nan 0.000 0.545 753 T N -1.686 112.803 114.554 -0.109 0.000 2.777 753 T HA -0.207 4.142 4.350 -0.000 0.000 0.266 753 T C 1.542 176.138 174.700 -0.172 0.000 1.040 753 T CA 1.810 63.809 62.100 -0.169 0.000 1.141 753 T CB -0.397 68.381 68.868 -0.151 0.000 0.868 753 T HN 0.401 nan 8.240 nan 0.000 0.444 754 H N 0.871 119.833 119.070 -0.180 0.000 2.357 754 H HA 0.132 4.687 4.556 -0.000 0.000 0.301 754 H C 2.164 177.482 175.328 -0.017 0.000 1.082 754 H CA 1.501 57.512 56.048 -0.062 0.000 1.342 754 H CB -0.218 29.499 29.762 -0.076 0.000 1.389 754 H HN 0.236 nan 8.280 nan 0.000 0.511 755 M N -0.807 118.739 119.600 -0.090 0.000 2.229 755 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 755 M C 2.332 178.737 176.300 0.175 0.000 1.063 755 M CA 1.370 56.611 55.300 -0.097 0.000 1.114 755 M CB 0.078 32.367 32.600 -0.519 0.000 1.387 755 M HN 0.203 nan 8.290 nan 0.000 0.420 756 S N -0.721 115.100 115.700 0.202 0.000 2.368 756 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 756 S C 1.692 176.371 174.600 0.132 0.000 1.029 756 S CA 0.914 59.313 58.200 0.331 0.000 0.988 756 S CB -0.481 62.907 63.200 0.313 0.000 0.838 756 S HN 0.468 nan 8.310 nan 0.000 0.462 757 H N -0.097 119.027 119.070 0.090 0.000 2.357 757 H HA 0.007 4.563 4.556 -0.001 0.000 0.301 757 H C 1.952 177.278 175.328 -0.004 0.000 1.082 757 H CA 1.167 57.222 56.048 0.011 0.000 1.342 757 H CB -0.710 29.008 29.762 -0.075 0.000 1.389 757 H HN 0.455 nan 8.280 nan 0.000 0.511 758 F N 1.049 120.977 119.950 -0.038 0.000 2.102 758 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 758 F C 2.506 178.263 175.800 -0.072 0.000 1.105 758 F CA 0.914 58.867 58.000 -0.078 0.000 1.239 758 F CB -0.554 38.378 39.000 -0.113 0.000 0.991 758 F HN 0.011 nan 8.300 nan 0.000 0.474 759 L N 0.437 121.681 121.223 0.035 0.000 2.017 759 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 759 L C 2.522 179.199 176.870 -0.321 0.000 1.073 759 L CA 1.567 56.271 54.840 -0.226 0.000 0.745 759 L CB -0.515 41.507 42.059 -0.062 0.000 0.894 759 L HN 0.108 nan 8.230 nan 0.000 0.432 760 K N -0.608 119.747 120.400 -0.075 0.000 2.063 760 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 760 K C 2.007 178.599 176.600 -0.012 0.000 1.048 760 K CA 1.038 57.337 56.287 0.020 0.000 0.928 760 K CB -0.270 32.286 32.500 0.095 0.000 0.713 760 K HN 0.400 nan 8.250 nan 0.000 0.442 761 Q N 0.580 120.330 119.800 -0.084 0.000 2.084 761 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 761 Q C 2.402 178.315 176.000 -0.144 0.000 0.978 761 Q CA 1.143 56.882 55.803 -0.108 0.000 0.844 761 Q CB -1.014 27.635 28.738 -0.149 0.000 0.898 761 Q HN 0.408 nan 8.270 nan 0.000 0.426 762 c N 0.020 118.437 118.600 -0.306 0.000 2.422 762 c HA -0.092 4.478 4.570 -0.000 0.000 0.279 762 c C 2.049 176.187 174.090 0.080 0.000 1.305 762 c CA 0.318 56.495 56.329 -0.252 0.000 1.757 762 c CB -1.032 41.172 42.510 -0.509 0.000 1.962 762 c HN 0.333 nan 8.230 nan 0.000 0.499 763 F N 1.571 121.485 119.950 -0.059 0.000 2.765 763 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 763 F C 1.671 177.457 175.800 -0.024 0.000 1.111 763 F CA 0.417 58.402 58.000 -0.024 0.000 1.359 763 F CB -1.154 37.841 39.000 -0.008 0.000 1.097 763 F HN 0.232 nan 8.300 nan 0.000 0.577 764 S N 0.764 116.551 115.700 0.145 0.000 3.698 764 S HA -0.193 4.277 4.470 -0.000 0.000 0.338 764 S C -0.036 174.606 174.600 0.071 0.000 1.089 764 S CA 0.096 58.340 58.200 0.074 0.000 0.991 764 S CB -2.117 61.113 63.200 0.050 0.000 0.909 764 S HN 0.229 nan 8.310 nan 0.000 0.485 765 L N 2.071 123.351 121.223 0.096 0.000 2.295 765 L HA 0.491 4.830 4.340 -0.000 0.000 0.285 765 L C -1.107 175.804 176.870 0.069 0.000 1.035 765 L CA -2.051 52.839 54.840 0.084 0.000 0.806 765 L CB 0.698 42.828 42.059 0.119 0.000 1.214 765 L HN 0.050 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.056 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726