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 1ijs_1_P DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVYITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVNGNM ALDDIHAEIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSES ATQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNIYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGDTNFGDI GVQQDKRRGV TQMGNTNYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGNP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHVNA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNQYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPSNI GGMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 37 G C 0.000 174.924 174.900 0.040 0.000 0.946 37 G CA 0.000 45.121 45.100 0.034 0.000 0.502 38 V N 2.638 122.578 119.914 0.043 0.000 3.337 38 V HA 0.027 4.146 4.120 -0.001 0.000 0.277 38 V C 1.710 177.834 176.094 0.049 0.000 1.256 38 V CA 3.013 65.343 62.300 0.050 0.000 1.244 38 V CB -0.857 30.993 31.823 0.044 0.000 0.962 38 V HN 1.152 nan 8.190 nan 0.000 0.579 39 G N 0.108 108.934 108.800 0.043 0.000 2.673 39 G HA2 0.280 4.239 3.960 -0.001 0.000 0.208 39 G HA3 0.280 4.239 3.960 -0.001 0.000 0.208 39 G C 0.503 175.427 174.900 0.040 0.000 1.128 39 G CA 0.444 45.567 45.100 0.038 0.000 0.805 39 G HN 0.786 nan 8.290 nan 0.000 0.526 40 I N -2.593 118.002 120.570 0.041 0.000 2.957 40 I HA 0.730 4.900 4.170 -0.001 0.000 0.310 40 I C -0.056 176.089 176.117 0.047 0.000 1.063 40 I CA -0.987 60.334 61.300 0.035 0.000 1.033 40 I CB 2.006 40.018 38.000 0.022 0.000 1.230 40 I HN -0.213 nan 8.210 nan 0.000 0.447 41 S N 0.524 116.245 115.700 0.034 0.000 2.589 41 S HA 0.308 4.778 4.470 -0.001 0.000 0.265 41 S C 0.777 175.394 174.600 0.028 0.000 1.342 41 S CA 0.256 58.479 58.200 0.038 0.000 1.005 41 S CB 0.695 63.891 63.200 -0.006 0.000 0.909 41 S HN 0.860 nan 8.310 nan 0.000 0.555 42 T N -0.246 114.335 114.554 0.045 0.000 2.954 42 T HA 0.418 4.768 4.350 -0.001 0.000 0.252 42 T C 0.583 175.225 174.700 -0.096 0.000 0.983 42 T CA 0.080 62.201 62.100 0.035 0.000 0.941 42 T CB 0.452 69.408 68.868 0.147 0.000 1.141 42 T HN 0.690 nan 8.240 nan 0.000 0.500 43 G N 0.254 108.885 108.800 -0.282 0.000 2.827 43 G HA2 0.610 4.570 3.960 -0.001 0.000 0.296 43 G HA3 0.610 4.570 3.960 -0.001 0.000 0.296 43 G C -1.608 172.777 174.900 -0.859 0.000 1.362 43 G CA -0.502 44.077 45.100 -0.868 0.000 0.809 43 G HN 0.068 nan 8.290 nan 0.000 0.522 44 T N -0.282 113.658 114.554 -1.023 0.000 2.906 44 T HA 0.560 4.909 4.350 -0.001 0.000 0.295 44 T C -1.739 172.761 174.700 -0.333 0.000 1.075 44 T CA -0.261 61.540 62.100 -0.498 0.000 1.005 44 T CB 1.924 70.632 68.868 -0.268 0.000 1.136 44 T HN 0.400 nan 8.240 nan 0.000 0.498 45 F N 3.146 122.995 119.950 -0.169 0.000 2.420 45 F HA 0.662 5.189 4.527 -0.001 0.000 0.342 45 F C 0.000 175.804 175.800 0.006 0.000 1.113 45 F CA -1.211 56.797 58.000 0.014 0.000 1.059 45 F CB 0.713 39.689 39.000 -0.041 0.000 1.128 45 F HN 0.396 nan 8.300 nan 0.000 0.475 46 N N 5.100 124.030 118.700 0.384 0.000 2.616 46 N HA 0.112 4.852 4.740 -0.001 0.000 0.281 46 N C -1.995 173.653 175.510 0.229 0.000 1.145 46 N CA -0.108 53.127 53.050 0.308 0.000 0.919 46 N CB 1.011 39.562 38.487 0.106 0.000 1.509 46 N HN 0.785 nan 8.380 nan 0.000 0.537 47 N N 2.827 121.754 118.700 0.378 0.000 2.679 47 N HA 0.121 4.861 4.740 -0.001 0.000 0.302 47 N C -1.195 174.458 175.510 0.238 0.000 1.941 47 N CA -0.055 53.172 53.050 0.296 0.000 0.875 47 N CB 0.949 39.713 38.487 0.461 0.000 1.278 47 N HN 0.592 nan 8.380 nan 0.000 0.490 48 Q N -0.024 119.887 119.800 0.184 0.000 2.274 48 Q HA 0.390 4.729 4.340 -0.001 0.000 0.260 48 Q C -0.906 175.167 176.000 0.122 0.000 0.974 48 Q CA -0.387 55.510 55.803 0.157 0.000 0.876 48 Q CB 1.701 30.518 28.738 0.133 0.000 1.297 48 Q HN 0.076 nan 8.270 nan 0.000 0.446 49 T N 3.189 117.826 114.554 0.137 0.000 2.788 49 T HA 0.276 4.625 4.350 -0.001 0.000 0.296 49 T C -0.959 173.760 174.700 0.032 0.000 1.009 49 T CA -0.519 61.620 62.100 0.065 0.000 0.949 49 T CB 0.648 69.620 68.868 0.173 0.000 0.946 49 T HN 0.457 nan 8.240 nan 0.000 0.453 50 E N 2.279 122.433 120.200 -0.078 0.000 2.174 50 E HA 0.352 4.701 4.350 -0.001 0.000 0.282 50 E C -0.997 175.465 176.600 -0.231 0.000 0.992 50 E CA -0.458 55.924 56.400 -0.030 0.000 0.803 50 E CB 1.014 30.730 29.700 0.026 0.000 1.090 50 E HN 0.467 nan 8.360 nan 0.000 0.396 51 F N 2.682 122.635 119.950 0.004 0.000 2.359 51 F HA 0.228 4.755 4.527 -0.001 0.000 0.369 51 F C 0.375 176.012 175.800 -0.271 0.000 1.084 51 F CA -0.807 57.078 58.000 -0.192 0.000 1.096 51 F CB 1.063 39.870 39.000 -0.322 0.000 1.335 51 F HN 0.176 nan 8.300 nan 0.000 0.457 52 K N 4.453 124.847 120.400 -0.009 0.000 2.257 52 K HA 0.357 4.676 4.320 -0.001 0.000 0.270 52 K C -1.065 175.560 176.600 0.042 0.000 1.098 52 K CA -0.355 55.966 56.287 0.057 0.000 0.943 52 K CB 0.128 32.703 32.500 0.125 0.000 1.316 52 K HN 0.277 nan 8.250 nan 0.000 0.447 53 F N 5.078 125.158 119.950 0.217 0.000 2.471 53 F HA 0.169 4.696 4.527 -0.001 0.000 0.365 53 F C 0.325 176.220 175.800 0.157 0.000 1.095 53 F CA -0.169 57.946 58.000 0.192 0.000 1.174 53 F CB 0.227 39.313 39.000 0.143 0.000 1.105 53 F HN 0.363 nan 8.300 nan 0.000 0.535 54 L N 2.197 123.641 121.223 0.368 0.000 2.751 54 L HA 0.401 4.741 4.340 -0.001 0.000 0.241 54 L C 0.181 177.215 176.870 0.274 0.000 1.146 54 L CA -0.744 54.256 54.840 0.267 0.000 0.879 54 L CB 0.494 42.709 42.059 0.260 0.000 1.687 54 L HN 0.381 nan 8.230 nan 0.000 0.527 55 E N 0.399 120.731 120.200 0.220 0.000 2.156 55 E HA 0.315 4.665 4.350 -0.001 0.000 0.279 55 E C -0.948 175.832 176.600 0.301 0.000 0.965 55 E CA -0.147 56.371 56.400 0.198 0.000 0.789 55 E CB 0.626 30.394 29.700 0.114 0.000 1.098 55 E HN 0.506 nan 8.360 nan 0.000 0.397 56 N N 1.932 120.805 118.700 0.289 0.000 3.022 56 N HA -0.138 4.601 4.740 -0.001 0.000 0.246 56 N C 0.323 176.036 175.510 0.339 0.000 1.119 56 N CA 0.055 53.312 53.050 0.343 0.000 0.681 56 N CB -0.850 37.892 38.487 0.425 0.000 1.037 56 N HN 0.882 nan 8.380 nan 0.000 0.561 57 G N -1.204 107.715 108.800 0.198 0.000 2.187 57 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.261 57 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.261 57 G C -0.129 174.795 174.900 0.040 0.000 1.000 57 G CA 0.599 45.745 45.100 0.076 0.000 0.718 57 G HN 0.492 nan 8.290 nan 0.000 0.519 58 W N -0.989 120.421 121.300 0.184 0.000 2.390 58 W HA 0.627 5.287 4.660 -0.001 0.000 0.312 58 W C 0.227 176.897 176.519 0.252 0.000 1.123 58 W CA -0.808 56.658 57.345 0.201 0.000 1.202 58 W CB 1.571 31.130 29.460 0.165 0.000 1.251 58 W HN 0.103 nan 8.180 nan 0.000 0.511 59 V N 3.107 123.297 119.914 0.461 0.000 3.001 59 V HA 0.359 4.478 4.120 -0.001 0.000 0.314 59 V C -1.522 174.785 176.094 0.355 0.000 1.099 59 V CA -1.316 61.178 62.300 0.323 0.000 0.989 59 V CB 2.142 34.071 31.823 0.177 0.000 1.040 59 V HN 0.258 nan 8.190 nan 0.000 0.434 60 Y N 3.196 123.546 120.300 0.084 0.000 2.345 60 Y HA 0.632 5.181 4.550 -0.001 0.000 0.331 60 Y C -0.288 175.606 175.900 -0.010 0.000 0.959 60 Y CA -0.589 57.553 58.100 0.070 0.000 1.204 60 Y CB 1.331 39.819 38.460 0.046 0.000 1.135 60 Y HN 0.462 nan 8.280 nan 0.000 0.477 61 I N 5.261 125.789 120.570 -0.070 0.000 2.359 61 I HA 0.244 4.413 4.170 -0.001 0.000 0.284 61 I C -0.527 175.561 176.117 -0.048 0.000 1.018 61 I CA -0.179 61.057 61.300 -0.107 0.000 1.173 61 I CB 1.200 39.206 38.000 0.010 0.000 1.326 61 I HN 0.514 nan 8.210 nan 0.000 0.462 62 T N 6.116 120.609 114.554 -0.102 0.000 2.947 62 T HA 0.524 4.873 4.350 -0.001 0.000 0.337 62 T C 0.087 174.752 174.700 -0.058 0.000 1.139 62 T CA -0.476 61.575 62.100 -0.082 0.000 0.992 62 T CB 0.888 69.737 68.868 -0.031 0.000 1.043 62 T HN 0.563 nan 8.240 nan 0.000 0.498 63 A N 4.301 127.101 122.820 -0.035 0.000 2.301 63 A HA 0.657 4.977 4.320 -0.001 0.000 0.298 63 A C -0.012 177.647 177.584 0.126 0.000 1.185 63 A CA -0.776 51.243 52.037 -0.029 0.000 0.830 63 A CB 0.193 19.065 19.000 -0.214 0.000 1.112 63 A HN 0.834 nan 8.150 nan 0.000 0.508 64 N N 0.817 119.610 118.700 0.156 0.000 2.354 64 N HA 0.514 5.254 4.740 -0.001 0.000 0.287 64 N C -1.149 174.453 175.510 0.154 0.000 1.016 64 N CA -0.258 52.897 53.050 0.175 0.000 0.871 64 N CB 1.970 40.497 38.487 0.066 0.000 1.299 64 N HN 0.398 nan 8.380 nan 0.000 0.482 65 S N 1.003 116.759 115.700 0.094 0.000 2.664 65 S HA 0.259 4.728 4.470 -0.001 0.000 0.262 65 S C -0.953 173.540 174.600 -0.179 0.000 1.229 65 S CA -0.763 57.383 58.200 -0.091 0.000 1.151 65 S CB 0.104 63.074 63.200 -0.383 0.000 1.054 65 S HN 0.547 nan 8.310 nan 0.000 0.483 66 S N 3.937 119.485 115.700 -0.253 0.000 2.543 66 S HA 0.521 4.990 4.470 -0.001 0.000 0.299 66 S C -0.146 174.216 174.600 -0.396 0.000 1.125 66 S CA -0.842 57.098 58.200 -0.434 0.000 1.098 66 S CB 0.645 63.403 63.200 -0.737 0.000 1.063 66 S HN 0.610 nan 8.310 nan 0.000 0.493 67 R N 1.480 122.019 120.500 0.066 0.000 2.604 67 R HA 0.561 4.900 4.340 -0.001 0.000 0.287 67 R C -0.781 175.546 176.300 0.046 0.000 0.970 67 R CA -0.894 55.264 56.100 0.098 0.000 0.946 67 R CB 1.102 31.446 30.300 0.072 0.000 1.127 67 R HN 0.701 nan 8.270 nan 0.000 0.473 68 L N 3.698 124.816 121.223 -0.175 0.000 2.255 68 L HA 0.403 4.742 4.340 -0.001 0.000 0.289 68 L C -1.195 175.334 176.870 -0.568 0.000 1.046 68 L CA -0.333 54.086 54.840 -0.702 0.000 0.816 68 L CB 1.245 42.337 42.059 -1.611 0.000 1.197 68 L HN 0.280 nan 8.230 nan 0.000 0.427 69 V N 5.189 124.704 119.914 -0.666 0.000 2.539 69 V HA 0.364 4.483 4.120 -0.001 0.000 0.292 69 V C -0.161 175.488 176.094 -0.742 0.000 1.045 69 V CA -0.529 61.344 62.300 -0.712 0.000 0.945 69 V CB 1.289 32.544 31.823 -0.947 0.000 0.993 69 V HN 0.775 nan 8.190 nan 0.000 0.464 70 H N 4.885 123.653 119.070 -0.504 0.000 2.529 70 H HA 0.744 5.299 4.556 -0.001 0.000 0.348 70 H C -1.539 173.679 175.328 -0.182 0.000 1.152 70 H CA -0.750 55.116 56.048 -0.304 0.000 1.202 70 H CB 2.054 31.678 29.762 -0.230 0.000 1.562 70 H HN 0.504 nan 8.280 nan 0.000 0.515 71 L N 3.738 124.640 121.223 -0.535 0.000 2.565 71 L HA 0.362 4.701 4.340 -0.001 0.000 0.261 71 L C -1.617 175.113 176.870 -0.232 0.000 0.932 71 L CA -0.400 54.312 54.840 -0.214 0.000 0.878 71 L CB 1.921 44.006 42.059 0.044 0.000 1.333 71 L HN 0.687 nan 8.230 nan 0.000 0.409 72 N N 3.125 121.771 118.700 -0.090 0.000 2.478 72 N HA 0.603 5.342 4.740 -0.001 0.000 0.275 72 N C -0.748 174.771 175.510 0.015 0.000 1.221 72 N CA -0.816 52.233 53.050 -0.003 0.000 0.979 72 N CB 1.187 39.689 38.487 0.025 0.000 1.202 72 N HN 0.714 nan 8.380 nan 0.000 0.564 73 M N 2.038 121.658 119.600 0.034 0.000 2.217 73 M HA 0.217 4.697 4.480 -0.001 0.000 0.352 73 M C -2.159 174.127 176.300 -0.023 0.000 1.376 73 M CA -1.359 53.941 55.300 -0.000 0.000 1.107 73 M CB 0.621 33.228 32.600 0.013 0.000 1.723 73 M HN 0.317 nan 8.290 nan 0.000 0.461 74 P HA -0.012 nan 4.420 nan 0.000 0.267 74 P C -0.082 177.182 177.300 -0.059 0.000 1.205 74 P CA 0.050 63.106 63.100 -0.072 0.000 0.765 74 P CB 0.323 31.944 31.700 -0.133 0.000 0.828 75 E N 1.936 122.108 120.200 -0.047 0.000 2.037 75 E HA -0.218 4.132 4.350 -0.001 0.000 0.214 75 E C 0.237 176.811 176.600 -0.042 0.000 1.041 75 E CA 1.113 57.490 56.400 -0.038 0.000 0.872 75 E CB -0.611 29.065 29.700 -0.039 0.000 0.785 75 E HN 0.316 nan 8.360 nan 0.000 0.476 76 S N -0.048 115.618 115.700 -0.056 0.000 2.525 76 S HA 0.114 4.584 4.470 -0.001 0.000 0.290 76 S C 0.051 174.601 174.600 -0.083 0.000 1.152 76 S CA -0.717 57.450 58.200 -0.054 0.000 1.072 76 S CB 1.458 64.627 63.200 -0.051 0.000 1.027 76 S HN 0.304 nan 8.310 nan 0.000 0.500 77 E N 2.693 122.860 120.200 -0.054 0.000 2.465 77 E HA 0.180 4.530 4.350 -0.001 0.000 0.195 77 E C -0.615 175.983 176.600 -0.003 0.000 1.028 77 E CA 0.014 56.374 56.400 -0.066 0.000 0.899 77 E CB 0.064 29.743 29.700 -0.034 0.000 1.032 77 E HN 0.477 nan 8.360 nan 0.000 0.468 78 N N -0.259 118.444 118.700 0.004 0.000 2.335 78 N HA 0.247 4.986 4.740 -0.001 0.000 0.304 78 N C -1.246 174.302 175.510 0.064 0.000 1.135 78 N CA -0.538 52.576 53.050 0.107 0.000 0.817 78 N CB 1.161 39.700 38.487 0.086 0.000 1.294 78 N HN -0.135 nan 8.380 nan 0.000 0.497 79 Y N 0.941 121.300 120.300 0.100 0.000 2.309 79 Y HA 0.394 4.944 4.550 -0.001 0.000 0.327 79 Y C 0.600 176.492 175.900 -0.014 0.000 1.172 79 Y CA 0.080 58.244 58.100 0.105 0.000 1.280 79 Y CB 0.825 39.451 38.460 0.277 0.000 1.234 79 Y HN 0.203 nan 8.280 nan 0.000 0.512 80 R N 1.697 122.216 120.500 0.031 0.000 2.854 80 R HA 0.595 4.935 4.340 -0.001 0.000 0.271 80 R C -0.984 175.199 176.300 -0.195 0.000 0.996 80 R CA -1.260 54.786 56.100 -0.089 0.000 0.961 80 R CB 2.338 32.578 30.300 -0.100 0.000 1.182 80 R HN 0.583 nan 8.270 nan 0.000 0.479 81 R N 1.972 122.324 120.500 -0.248 0.000 2.451 81 R HA 0.445 4.784 4.340 -0.001 0.000 0.307 81 R C -1.706 174.445 176.300 -0.249 0.000 0.965 81 R CA -0.427 55.470 56.100 -0.338 0.000 0.865 81 R CB 1.422 31.425 30.300 -0.495 0.000 1.174 81 R HN 0.340 nan 8.270 nan 0.000 0.455 82 V N 4.904 124.683 119.914 -0.224 0.000 2.638 82 V HA 0.430 4.550 4.120 -0.001 0.000 0.306 82 V C -0.555 175.404 176.094 -0.225 0.000 1.052 82 V CA -0.825 61.353 62.300 -0.202 0.000 0.885 82 V CB 2.175 33.889 31.823 -0.183 0.000 0.999 82 V HN 0.488 nan 8.190 nan 0.000 0.424 83 V N 4.969 124.730 119.914 -0.255 0.000 2.435 83 V HA 0.484 4.604 4.120 -0.001 0.000 0.290 83 V C -0.243 175.608 176.094 -0.405 0.000 1.030 83 V CA -0.605 61.491 62.300 -0.340 0.000 0.881 83 V CB 2.024 33.606 31.823 -0.402 0.000 0.983 83 V HN 0.604 nan 8.190 nan 0.000 0.445 84 V N 4.468 124.063 119.914 -0.532 0.000 2.347 84 V HA 0.420 4.539 4.120 -0.001 0.000 0.280 84 V C -0.164 175.720 176.094 -0.350 0.000 1.021 84 V CA -0.450 61.578 62.300 -0.453 0.000 0.847 84 V CB 1.377 32.825 31.823 -0.625 0.000 0.990 84 V HN 0.939 nan 8.190 nan 0.000 0.444 85 N N 3.903 122.450 118.700 -0.256 0.000 2.576 85 N HA 0.293 5.033 4.740 -0.001 0.000 0.269 85 N C -0.287 175.152 175.510 -0.119 0.000 1.058 85 N CA -0.497 52.439 53.050 -0.191 0.000 0.860 85 N CB 0.849 39.199 38.487 -0.228 0.000 1.249 85 N HN 0.659 nan 8.380 nan 0.000 0.525 86 N N 3.971 122.622 118.700 -0.081 0.000 3.170 86 N HA 0.112 4.852 4.740 -0.001 0.000 0.305 86 N C -0.650 174.840 175.510 -0.034 0.000 1.499 86 N CA -0.208 52.811 53.050 -0.051 0.000 1.110 86 N CB 0.184 38.651 38.487 -0.034 0.000 1.390 86 N HN 0.551 nan 8.380 nan 0.000 0.508 87 M N 1.372 120.948 119.600 -0.039 0.000 3.443 87 M HA 0.079 4.559 4.480 -0.001 0.000 0.228 87 M C -0.454 175.829 176.300 -0.028 0.000 1.227 87 M CA 0.009 55.294 55.300 -0.025 0.000 1.321 87 M CB 0.060 32.645 32.600 -0.024 0.000 1.134 87 M HN 0.319 nan 8.290 nan 0.000 0.567 88 D N -1.841 118.542 120.400 -0.028 0.000 2.460 88 D HA 0.046 4.686 4.640 -0.001 0.000 0.263 88 D C 0.983 177.268 176.300 -0.025 0.000 1.209 88 D CA -0.036 53.947 54.000 -0.028 0.000 0.818 88 D CB 0.265 41.046 40.800 -0.031 0.000 1.239 88 D HN 0.101 nan 8.370 nan 0.000 0.530 89 K N 0.268 120.655 120.400 -0.022 0.000 2.399 89 K HA 0.123 4.442 4.320 -0.001 0.000 0.196 89 K C 1.083 177.671 176.600 -0.021 0.000 1.117 89 K CA 1.242 57.516 56.287 -0.021 0.000 0.965 89 K CB 0.662 33.152 32.500 -0.016 0.000 0.983 89 K HN 0.263 nan 8.250 nan 0.000 0.531 90 T N -1.553 112.991 114.554 -0.016 0.000 3.287 90 T HA 0.459 4.809 4.350 -0.001 0.000 0.253 90 T C 1.000 175.689 174.700 -0.019 0.000 0.975 90 T CA 0.137 62.229 62.100 -0.013 0.000 0.912 90 T CB 0.385 69.254 68.868 0.003 0.000 1.071 90 T HN 0.024 nan 8.240 nan 0.000 0.578 91 A N 0.360 123.166 122.820 -0.024 0.000 2.140 91 A HA 0.456 4.776 4.320 -0.001 0.000 0.199 91 A C 1.816 179.380 177.584 -0.033 0.000 1.416 91 A CA 0.181 52.201 52.037 -0.027 0.000 1.018 91 A CB 0.055 19.040 19.000 -0.025 0.000 1.117 91 A HN 0.388 nan 8.150 nan 0.000 0.480 92 V N 0.806 120.700 119.914 -0.032 0.000 2.982 92 V HA -0.216 3.904 4.120 -0.001 0.000 0.265 92 V C 0.828 176.898 176.094 -0.040 0.000 1.122 92 V CA 1.492 63.772 62.300 -0.033 0.000 1.143 92 V CB -1.758 30.047 31.823 -0.031 0.000 0.726 92 V HN 0.717 nan 8.190 nan 0.000 0.507 93 N N -0.274 118.398 118.700 -0.048 0.000 2.735 93 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 93 N C 0.696 176.170 175.510 -0.060 0.000 1.083 93 N CA 0.988 53.998 53.050 -0.065 0.000 0.703 93 N CB -1.192 37.244 38.487 -0.085 0.000 1.005 93 N HN 0.641 nan 8.380 nan 0.000 0.550 94 G N -1.840 106.931 108.800 -0.048 0.000 2.414 94 G HA2 0.069 4.028 3.960 -0.001 0.000 0.198 94 G HA3 0.069 4.028 3.960 -0.001 0.000 0.198 94 G C -0.057 174.806 174.900 -0.061 0.000 1.399 94 G CA -0.252 44.824 45.100 -0.040 0.000 0.618 94 G HN 0.196 nan 8.290 nan 0.000 1.054 95 N N 1.168 119.832 118.700 -0.060 0.000 2.457 95 N HA 0.524 5.263 4.740 -0.001 0.000 0.250 95 N C 0.392 175.858 175.510 -0.072 0.000 0.982 95 N CA -0.058 52.950 53.050 -0.070 0.000 0.941 95 N CB 1.559 40.017 38.487 -0.049 0.000 1.120 95 N HN 0.217 nan 8.380 nan 0.000 0.505 96 M N -0.277 119.255 119.600 -0.114 0.000 2.249 96 M HA 0.300 4.780 4.480 -0.001 0.000 0.318 96 M C 1.157 177.385 176.300 -0.119 0.000 0.930 96 M CA -0.043 55.194 55.300 -0.104 0.000 1.080 96 M CB 0.692 33.215 32.600 -0.127 0.000 1.797 96 M HN 0.364 nan 8.290 nan 0.000 0.619 97 A N 0.725 123.429 122.820 -0.193 0.000 2.275 97 A HA 0.399 4.718 4.320 -0.001 0.000 0.212 97 A C 1.437 179.045 177.584 0.041 0.000 1.201 97 A CA 0.171 52.131 52.037 -0.129 0.000 0.843 97 A CB -0.264 18.533 19.000 -0.339 0.000 0.873 97 A HN 0.450 nan 8.150 nan 0.000 0.492 98 L N 0.035 121.262 121.223 0.006 0.000 2.791 98 L HA 0.161 4.500 4.340 -0.001 0.000 0.239 98 L C -0.187 176.706 176.870 0.039 0.000 1.203 98 L CA -0.318 54.537 54.840 0.024 0.000 1.002 98 L CB 0.078 42.135 42.059 -0.004 0.000 1.295 98 L HN 0.130 nan 8.230 nan 0.000 0.504 99 D N 0.869 121.309 120.400 0.066 0.000 2.338 99 D HA 0.016 4.656 4.640 -0.001 0.000 0.255 99 D C 0.059 176.414 176.300 0.091 0.000 1.237 99 D CA 0.293 54.342 54.000 0.081 0.000 0.883 99 D CB 0.884 41.756 40.800 0.120 0.000 1.087 99 D HN -0.016 nan 8.370 nan 0.000 0.485 100 D N 3.231 123.667 120.400 0.060 0.000 2.559 100 D HA 0.172 4.812 4.640 -0.001 0.000 0.234 100 D C -0.031 176.310 176.300 0.068 0.000 1.226 100 D CA -0.347 53.694 54.000 0.069 0.000 0.830 100 D CB -0.146 40.683 40.800 0.048 0.000 1.028 100 D HN 0.447 nan 8.370 nan 0.000 0.492 101 I N 2.151 122.723 120.570 0.003 0.000 2.325 101 I HA 0.185 4.355 4.170 -0.001 0.000 0.291 101 I C -0.625 175.201 176.117 -0.485 0.000 1.019 101 I CA -0.219 60.994 61.300 -0.146 0.000 1.302 101 I CB 0.128 38.113 38.000 -0.026 0.000 1.401 101 I HN 0.094 nan 8.210 nan 0.000 0.485 102 H N 5.478 124.066 119.070 -0.803 0.000 3.014 102 H HA 0.678 5.234 4.556 -0.001 0.000 0.337 102 H C -2.066 172.928 175.328 -0.556 0.000 1.320 102 H CA -1.337 53.796 56.048 -1.524 0.000 1.128 102 H CB 1.430 30.562 29.762 -1.050 0.000 1.862 102 H HN 0.526 nan 8.280 nan 0.000 0.536 103 A N 1.920 124.672 122.820 -0.114 0.000 2.310 103 A HA 0.467 4.786 4.320 -0.001 0.000 0.304 103 A C -0.275 177.532 177.584 0.371 0.000 1.231 103 A CA -0.577 51.593 52.037 0.222 0.000 0.799 103 A CB 0.515 19.876 19.000 0.602 0.000 1.162 103 A HN 0.742 nan 8.150 nan 0.000 0.486 104 E N 2.530 122.795 120.200 0.109 0.000 2.277 104 E HA 0.751 5.101 4.350 -0.001 0.000 0.266 104 E C -1.441 175.050 176.600 -0.182 0.000 0.901 104 E CA -0.806 55.596 56.400 0.004 0.000 0.782 104 E CB 1.837 31.519 29.700 -0.030 0.000 1.228 104 E HN 0.453 nan 8.360 nan 0.000 0.424 105 I N 2.539 122.892 120.570 -0.362 0.000 2.378 105 I HA 0.242 4.411 4.170 -0.001 0.000 0.291 105 I C -0.565 175.324 176.117 -0.380 0.000 0.992 105 I CA -1.253 59.798 61.300 -0.416 0.000 1.154 105 I CB 1.929 39.604 38.000 -0.542 0.000 1.315 105 I HN 0.414 nan 8.210 nan 0.000 0.448 106 V N 4.929 124.714 119.914 -0.215 0.000 2.607 106 V HA 0.339 4.459 4.120 -0.001 0.000 0.289 106 V C 0.423 176.449 176.094 -0.114 0.000 1.053 106 V CA -0.298 61.910 62.300 -0.154 0.000 0.996 106 V CB 1.673 33.419 31.823 -0.128 0.000 0.995 106 V HN 0.846 nan 8.190 nan 0.000 0.476 107 T N 2.378 116.888 114.554 -0.074 0.000 2.807 107 T HA 0.439 4.789 4.350 -0.001 0.000 0.279 107 T C -2.011 172.598 174.700 -0.152 0.000 0.993 107 T CA -2.146 59.858 62.100 -0.160 0.000 0.970 107 T CB 1.978 71.067 68.868 0.369 0.000 0.950 107 T HN 0.439 nan 8.240 nan 0.000 0.441 108 P HA 0.002 nan 4.420 nan 0.000 0.228 108 P C -0.328 176.831 177.300 -0.236 0.000 1.151 108 P CA 0.402 63.316 63.100 -0.310 0.000 0.770 108 P CB -0.098 31.344 31.700 -0.430 0.000 0.786 109 W N 0.650 121.922 121.300 -0.048 0.000 2.266 109 W HA 0.223 4.882 4.660 -0.001 0.000 0.317 109 W C 0.439 177.030 176.519 0.120 0.000 1.310 109 W CA -0.046 57.316 57.345 0.029 0.000 1.207 109 W CB 0.319 29.768 29.460 -0.019 0.000 1.199 109 W HN -0.245 nan 8.180 nan 0.000 0.544 110 S N 4.556 120.462 115.700 0.344 0.000 2.438 110 S HA 0.410 4.879 4.470 -0.001 0.000 0.293 110 S C -0.330 174.455 174.600 0.309 0.000 1.141 110 S CA -0.789 57.579 58.200 0.279 0.000 1.080 110 S CB 0.517 63.821 63.200 0.174 0.000 0.978 110 S HN 0.433 nan 8.310 nan 0.000 0.479 111 L N 4.235 125.642 121.223 0.307 0.000 2.454 111 L HA 0.692 5.032 4.340 -0.001 0.000 0.256 111 L C -1.139 175.780 176.870 0.081 0.000 1.136 111 L CA -0.429 54.532 54.840 0.202 0.000 0.804 111 L CB 0.917 43.124 42.059 0.247 0.000 1.181 111 L HN 0.374 nan 8.230 nan 0.000 0.469 112 V N 2.017 121.910 119.914 -0.035 0.000 2.567 112 V HA 0.345 4.464 4.120 -0.001 0.000 0.298 112 V C -1.365 174.644 176.094 -0.142 0.000 1.047 112 V CA -0.601 61.640 62.300 -0.099 0.000 0.880 112 V CB 1.620 33.380 31.823 -0.104 0.000 1.009 112 V HN 0.678 nan 8.190 nan 0.000 0.429 113 D N 3.322 123.633 120.400 -0.148 0.000 2.362 113 D HA 0.812 5.451 4.640 -0.001 0.000 0.247 113 D C 0.205 176.398 176.300 -0.179 0.000 1.050 113 D CA -0.067 53.854 54.000 -0.132 0.000 0.839 113 D CB 2.366 43.099 40.800 -0.112 0.000 1.283 113 D HN 0.639 nan 8.370 nan 0.000 0.477 114 A N 3.140 125.908 122.820 -0.085 0.000 2.630 114 A HA 0.112 4.431 4.320 -0.001 0.000 0.287 114 A C 0.464 178.106 177.584 0.097 0.000 1.040 114 A CA -0.422 51.587 52.037 -0.045 0.000 0.971 114 A CB -0.177 18.911 19.000 0.146 0.000 1.241 114 A HN 0.358 nan 8.150 nan 0.000 0.558 115 N N 2.033 120.625 118.700 -0.180 0.000 3.178 115 N HA 0.495 5.235 4.740 -0.001 0.000 0.300 115 N C -0.350 174.921 175.510 -0.398 0.000 1.242 115 N CA 0.863 53.531 53.050 -0.636 0.000 1.192 115 N CB -0.222 37.728 38.487 -0.894 0.000 1.463 115 N HN 0.541 nan 8.380 nan 0.000 0.539 116 A N 0.626 123.329 122.820 -0.194 0.000 2.609 116 A HA 0.464 4.783 4.320 -0.001 0.000 0.291 116 A C -0.110 177.469 177.584 -0.008 0.000 1.096 116 A CA -0.819 51.141 52.037 -0.128 0.000 0.684 116 A CB 0.238 19.183 19.000 -0.093 0.000 1.282 116 A HN 0.430 nan 8.150 nan 0.000 0.412 117 W N 0.403 121.760 121.300 0.094 0.000 2.494 117 W HA 0.191 4.850 4.660 -0.001 0.000 0.286 117 W C 2.154 178.717 176.519 0.073 0.000 1.218 117 W CA 1.235 58.723 57.345 0.238 0.000 1.313 117 W CB 0.088 29.617 29.460 0.115 0.000 1.105 117 W HN 0.854 nan 8.180 nan 0.000 0.561 118 G N 0.098 108.749 108.800 -0.248 0.000 2.470 118 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 118 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 118 G C 1.294 175.490 174.900 -1.173 0.000 1.121 118 G CA 1.233 45.798 45.100 -0.893 0.000 0.766 118 G HN 0.150 nan 8.290 nan 0.000 0.553 119 V N -1.210 118.020 119.914 -1.139 0.000 2.951 119 V HA 0.022 4.142 4.120 -0.001 0.000 0.255 119 V C 1.957 177.601 176.094 -0.751 0.000 1.088 119 V CA 0.903 62.615 62.300 -0.980 0.000 1.109 119 V CB -0.413 30.777 31.823 -1.054 0.000 0.724 119 V HN 0.619 nan 8.190 nan 0.000 0.471 120 W N -1.679 119.535 121.300 -0.142 0.000 3.013 120 W HA 0.420 5.080 4.660 -0.001 0.000 0.280 120 W C 0.363 176.513 176.519 -0.615 0.000 1.249 120 W CA -0.396 56.776 57.345 -0.288 0.000 1.577 120 W CB 0.451 29.778 29.460 -0.222 0.000 1.057 120 W HN 0.062 nan 8.180 nan 0.000 0.613 121 F N 0.508 120.666 119.950 0.346 0.000 2.662 121 F HA 0.260 4.787 4.527 -0.001 0.000 0.312 121 F C 0.042 176.048 175.800 0.342 0.000 1.113 121 F CA -1.569 56.648 58.000 0.362 0.000 0.951 121 F CB 0.828 40.098 39.000 0.451 0.000 1.344 121 F HN -0.277 nan 8.300 nan 0.000 0.462 122 N N 0.320 119.350 118.700 0.550 0.000 2.471 122 N HA 0.488 5.228 4.740 -0.001 0.000 0.288 122 N C -2.524 173.265 175.510 0.464 0.000 1.220 122 N CA -1.960 51.369 53.050 0.464 0.000 0.893 122 N CB 2.189 40.902 38.487 0.377 0.000 1.256 122 N HN 0.124 nan 8.380 nan 0.000 0.534 123 P HA -0.076 nan 4.420 nan 0.000 0.223 123 P C 1.192 178.628 177.300 0.227 0.000 1.144 123 P CA 1.137 64.473 63.100 0.393 0.000 0.783 123 P CB -0.161 31.878 31.700 0.564 0.000 0.771 124 G N -0.106 108.836 108.800 0.235 0.000 2.411 124 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.213 124 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.213 124 G C 1.114 176.121 174.900 0.178 0.000 1.166 124 G CA 0.405 45.598 45.100 0.154 0.000 0.802 124 G HN 0.145 nan 8.290 nan 0.000 0.533 125 D N -0.281 120.300 120.400 0.302 0.000 2.097 125 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 125 D C 1.869 178.310 176.300 0.236 0.000 0.984 125 D CA 0.331 54.574 54.000 0.405 0.000 0.826 125 D CB -0.440 40.766 40.800 0.676 0.000 0.973 125 D HN 0.428 nan 8.370 nan 0.000 0.460 126 W N 1.907 123.145 121.300 -0.104 0.000 2.317 126 W HA -0.257 4.403 4.660 -0.001 0.000 0.318 126 W C 2.170 178.529 176.519 -0.268 0.000 1.227 126 W CA 1.623 58.736 57.345 -0.386 0.000 1.269 126 W CB -0.248 28.772 29.460 -0.732 0.000 1.155 126 W HN 0.082 nan 8.180 nan 0.000 0.484 127 Q N 0.379 120.157 119.800 -0.037 0.000 2.197 127 Q HA -0.287 4.052 4.340 -0.001 0.000 0.207 127 Q C 2.306 178.206 176.000 -0.167 0.000 0.984 127 Q CA 2.092 57.831 55.803 -0.106 0.000 0.869 127 Q CB -0.448 28.257 28.738 -0.054 0.000 0.906 127 Q HN 0.335 nan 8.270 nan 0.000 0.426 128 L N 0.415 121.557 121.223 -0.135 0.000 1.988 128 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 128 L C 2.099 178.861 176.870 -0.180 0.000 1.071 128 L CA 1.657 56.407 54.840 -0.151 0.000 0.744 128 L CB -0.453 41.502 42.059 -0.173 0.000 0.893 128 L HN 0.303 nan 8.230 nan 0.000 0.433 129 I N -1.270 119.168 120.570 -0.219 0.000 2.335 129 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 129 I C 2.157 178.027 176.117 -0.412 0.000 1.129 129 I CA 0.964 62.089 61.300 -0.292 0.000 1.402 129 I CB -0.318 37.389 38.000 -0.490 0.000 1.069 129 I HN 0.141 nan 8.210 nan 0.000 0.424 130 V N 0.413 120.013 119.914 -0.523 0.000 2.446 130 V HA -0.123 3.996 4.120 -0.001 0.000 0.244 130 V C 2.018 177.966 176.094 -0.243 0.000 1.039 130 V CA 1.527 63.541 62.300 -0.477 0.000 1.045 130 V CB -0.599 30.880 31.823 -0.574 0.000 0.681 130 V HN 0.431 nan 8.190 nan 0.000 0.459 131 N N 0.059 118.641 118.700 -0.195 0.000 2.290 131 N HA -0.070 4.670 4.740 -0.001 0.000 0.179 131 N C 1.819 177.271 175.510 -0.098 0.000 1.016 131 N CA 1.773 54.752 53.050 -0.118 0.000 0.871 131 N CB 0.114 38.538 38.487 -0.105 0.000 0.987 131 N HN 0.444 nan 8.380 nan 0.000 0.431 132 T N 1.110 115.600 114.554 -0.106 0.000 2.939 132 T HA 0.202 4.552 4.350 -0.001 0.000 0.254 132 T C 1.246 175.912 174.700 -0.058 0.000 1.041 132 T CA 0.523 62.580 62.100 -0.071 0.000 1.142 132 T CB 0.424 69.263 68.868 -0.049 0.000 0.874 132 T HN 0.044 nan 8.240 nan 0.000 0.452 133 M N 1.257 120.808 119.600 -0.081 0.000 2.471 133 M HA 0.387 4.867 4.480 -0.001 0.000 0.309 133 M C 1.412 177.654 176.300 -0.098 0.000 1.186 133 M CA -0.517 54.736 55.300 -0.079 0.000 1.008 133 M CB 1.681 34.231 32.600 -0.084 0.000 1.551 133 M HN 0.153 nan 8.290 nan 0.000 0.477 134 S N 0.412 116.055 115.700 -0.094 0.000 2.431 134 S HA 0.102 4.572 4.470 -0.001 0.000 0.210 134 S C 0.263 174.800 174.600 -0.105 0.000 1.013 134 S CA -0.203 57.946 58.200 -0.085 0.000 0.920 134 S CB -0.144 63.010 63.200 -0.077 0.000 0.882 134 S HN 0.788 nan 8.310 nan 0.000 0.567 135 E N 0.688 120.810 120.200 -0.130 0.000 2.238 135 E HA 0.676 5.026 4.350 -0.001 0.000 0.267 135 E C -1.484 174.998 176.600 -0.197 0.000 0.887 135 E CA -1.091 55.211 56.400 -0.163 0.000 0.769 135 E CB 1.648 31.246 29.700 -0.171 0.000 1.187 135 E HN 0.308 nan 8.360 nan 0.000 0.416 136 L N 2.495 123.616 121.223 -0.170 0.000 2.334 136 L HA 0.465 4.804 4.340 -0.001 0.000 0.273 136 L C -1.314 175.542 176.870 -0.024 0.000 1.013 136 L CA -0.498 54.326 54.840 -0.026 0.000 0.816 136 L CB 1.577 43.696 42.059 0.100 0.000 1.278 136 L HN 0.641 nan 8.230 nan 0.000 0.431 137 H N 4.295 123.584 119.070 0.366 0.000 2.667 137 H HA 0.410 4.965 4.556 -0.001 0.000 0.353 137 H C -1.204 174.250 175.328 0.211 0.000 1.072 137 H CA -0.772 55.487 56.048 0.352 0.000 1.214 137 H CB 2.283 32.217 29.762 0.285 0.000 1.600 137 H HN 0.477 nan 8.280 nan 0.000 0.527 138 L N 3.041 124.292 121.223 0.045 0.000 2.326 138 L HA 0.219 4.559 4.340 -0.001 0.000 0.278 138 L C -0.010 176.693 176.870 -0.279 0.000 1.092 138 L CA 0.190 54.742 54.840 -0.479 0.000 0.810 138 L CB 0.874 42.228 42.059 -1.176 0.000 1.153 138 L HN 0.468 nan 8.230 nan 0.000 0.439 139 V N 1.717 121.422 119.914 -0.349 0.000 4.535 139 V HA 0.392 4.512 4.120 -0.001 0.000 0.173 139 V C 0.434 176.578 176.094 0.083 0.000 1.036 139 V CA 0.009 62.267 62.300 -0.070 0.000 1.412 139 V CB 0.867 32.611 31.823 -0.131 0.000 1.991 139 V HN 0.748 nan 8.190 nan 0.000 0.469 140 S N 0.019 115.647 115.700 -0.121 0.000 2.690 140 S HA 0.746 5.215 4.470 -0.001 0.000 0.291 140 S C -1.330 173.216 174.600 -0.090 0.000 1.138 140 S CA -0.110 57.974 58.200 -0.193 0.000 1.013 140 S CB 1.745 64.738 63.200 -0.346 0.000 1.053 140 S HN 0.346 nan 8.310 nan 0.000 0.539 141 F N 2.064 121.844 119.950 -0.283 0.000 2.651 141 F HA 0.392 4.919 4.527 -0.001 0.000 0.329 141 F C -1.539 174.134 175.800 -0.212 0.000 1.186 141 F CA -0.416 57.435 58.000 -0.247 0.000 1.046 141 F CB 1.091 39.974 39.000 -0.194 0.000 1.296 141 F HN 0.701 nan 8.300 nan 0.000 0.497 142 E N 5.318 124.975 120.200 -0.905 0.000 2.304 142 E HA 0.434 4.783 4.350 -0.001 0.000 0.277 142 E C -2.004 174.158 176.600 -0.730 0.000 0.898 142 E CA -1.010 54.986 56.400 -0.673 0.000 0.764 142 E CB 2.329 31.785 29.700 -0.406 0.000 1.216 142 E HN 0.676 nan 8.360 nan 0.000 0.419 143 Q N 1.735 121.223 119.800 -0.520 0.000 2.266 143 Q HA 0.419 4.758 4.340 -0.001 0.000 0.261 143 Q C -1.056 174.814 176.000 -0.218 0.000 0.985 143 Q CA -0.777 54.836 55.803 -0.317 0.000 0.873 143 Q CB 2.386 31.180 28.738 0.094 0.000 1.306 143 Q HN 0.637 nan 8.270 nan 0.000 0.447 144 E N 2.333 122.376 120.200 -0.262 0.000 2.304 144 E HA 0.428 4.778 4.350 -0.001 0.000 0.277 144 E C -1.616 175.007 176.600 0.038 0.000 0.898 144 E CA -0.398 55.950 56.400 -0.086 0.000 0.764 144 E CB 1.375 31.025 29.700 -0.084 0.000 1.216 144 E HN 0.524 nan 8.360 nan 0.000 0.419 145 I N 5.618 126.317 120.570 0.215 0.000 2.433 145 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 145 I C -0.738 175.568 176.117 0.314 0.000 1.001 145 I CA -0.828 60.621 61.300 0.249 0.000 1.119 145 I CB 0.857 38.999 38.000 0.236 0.000 1.289 145 I HN 0.448 nan 8.210 nan 0.000 0.438 146 F N 3.129 123.230 119.950 0.251 0.000 2.685 146 F HA 0.519 5.045 4.527 -0.001 0.000 0.315 146 F C -0.079 175.921 175.800 0.333 0.000 1.126 146 F CA -1.277 56.849 58.000 0.209 0.000 0.950 146 F CB 0.927 39.993 39.000 0.110 0.000 1.360 146 F HN 0.438 nan 8.300 nan 0.000 0.469 147 N N 0.594 119.593 118.700 0.497 0.000 2.696 147 N HA -0.140 4.600 4.740 -0.001 0.000 0.256 147 N C -0.935 174.805 175.510 0.384 0.000 1.031 147 N CA 0.535 53.846 53.050 0.435 0.000 0.730 147 N CB -0.635 38.176 38.487 0.541 0.000 0.894 147 N HN 0.485 nan 8.380 nan 0.000 0.544 148 V N 1.148 121.230 119.914 0.280 0.000 2.572 148 V HA 0.216 4.336 4.120 -0.001 0.000 0.291 148 V C 0.903 177.108 176.094 0.185 0.000 1.039 148 V CA 0.029 62.465 62.300 0.228 0.000 1.055 148 V CB 1.705 33.613 31.823 0.142 0.000 0.969 148 V HN 0.089 nan 8.190 nan 0.000 0.482 149 V N 6.617 126.635 119.914 0.175 0.000 2.686 149 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 149 V C -0.525 175.607 176.094 0.063 0.000 1.065 149 V CA -0.501 61.871 62.300 0.120 0.000 0.894 149 V CB 2.010 33.918 31.823 0.142 0.000 1.004 149 V HN 0.656 nan 8.190 nan 0.000 0.424 150 L N 5.246 126.469 121.223 0.001 0.000 2.372 150 L HA 0.624 4.963 4.340 -0.001 0.000 0.274 150 L C -0.417 176.356 176.870 -0.161 0.000 0.988 150 L CA -0.489 54.299 54.840 -0.087 0.000 0.833 150 L CB 1.889 43.916 42.059 -0.052 0.000 1.236 150 L HN 0.510 nan 8.230 nan 0.000 0.410 151 K N 1.877 122.053 120.400 -0.373 0.000 2.316 151 K HA 0.659 4.979 4.320 -0.001 0.000 0.251 151 K C -0.851 175.484 176.600 -0.442 0.000 0.934 151 K CA -0.782 55.281 56.287 -0.372 0.000 0.802 151 K CB 2.757 35.042 32.500 -0.357 0.000 1.171 151 K HN 0.386 nan 8.250 nan 0.000 0.426 152 T N 1.027 115.472 114.554 -0.182 0.000 2.902 152 T HA 0.303 4.652 4.350 -0.001 0.000 0.283 152 T C -0.293 174.389 174.700 -0.030 0.000 1.009 152 T CA -0.670 61.373 62.100 -0.096 0.000 1.051 152 T CB 1.533 70.367 68.868 -0.056 0.000 0.999 152 T HN 0.139 nan 8.240 nan 0.000 0.474 153 V N 2.800 122.711 119.914 -0.005 0.000 2.370 153 V HA 0.402 4.521 4.120 -0.001 0.000 0.283 153 V C -0.004 176.041 176.094 -0.083 0.000 1.023 153 V CA -0.566 61.701 62.300 -0.055 0.000 0.857 153 V CB 1.614 33.442 31.823 0.008 0.000 0.985 153 V HN 0.974 nan 8.190 nan 0.000 0.443 154 S N 3.954 119.578 115.700 -0.128 0.000 2.438 154 S HA 0.350 4.820 4.470 -0.001 0.000 0.316 154 S C -0.161 174.370 174.600 -0.116 0.000 1.084 154 S CA -0.487 57.658 58.200 -0.092 0.000 1.107 154 S CB 0.978 64.139 63.200 -0.064 0.000 0.981 154 S HN 0.819 nan 8.310 nan 0.000 0.466 155 E N 2.457 122.608 120.200 -0.081 0.000 1.993 155 E HA 0.172 4.522 4.350 -0.001 0.000 0.271 155 E C -0.506 176.066 176.600 -0.047 0.000 1.008 155 E CA -0.127 56.230 56.400 -0.071 0.000 0.814 155 E CB 0.436 30.106 29.700 -0.051 0.000 1.098 155 E HN 0.421 nan 8.360 nan 0.000 0.407 156 S N 3.686 119.358 115.700 -0.046 0.000 3.869 156 S HA 0.272 4.742 4.470 -0.001 0.000 0.241 156 S C 0.066 174.654 174.600 -0.020 0.000 1.363 156 S CA -0.426 57.758 58.200 -0.028 0.000 0.894 156 S CB -0.397 62.789 63.200 -0.023 0.000 1.519 156 S HN 0.596 nan 8.310 nan 0.000 0.470 157 A N 4.000 126.810 122.820 -0.017 0.000 2.729 157 A HA 0.303 4.622 4.320 -0.001 0.000 0.291 157 A C 0.599 178.178 177.584 -0.008 0.000 1.574 157 A CA 0.306 52.336 52.037 -0.012 0.000 1.194 157 A CB -0.525 18.468 19.000 -0.011 0.000 1.047 157 A HN 0.556 nan 8.150 nan 0.000 0.578 158 T N 2.565 117.115 114.554 -0.006 0.000 3.313 158 T HA 0.425 4.774 4.350 -0.001 0.000 0.333 158 T C 0.303 175.003 174.700 -0.001 0.000 0.904 158 T CA -0.190 61.908 62.100 -0.003 0.000 1.079 158 T CB -0.006 68.861 68.868 -0.002 0.000 1.017 158 T HN 0.830 nan 8.240 nan 0.000 0.471 159 Q N 1.190 120.990 119.800 -0.000 0.000 2.576 159 Q HA -0.179 4.161 4.340 -0.001 0.000 0.198 159 Q C -1.552 174.449 176.000 0.001 0.000 2.845 159 Q CA 1.763 57.567 55.803 0.001 0.000 0.325 159 Q CB -2.646 26.094 28.738 0.003 0.000 0.538 159 Q HN 0.538 nan 8.270 nan 0.000 0.423 160 P HA -0.025 nan 4.420 nan 0.000 0.213 160 P C -1.197 176.103 177.300 0.001 0.000 1.170 160 P CA 2.030 65.132 63.100 0.003 0.000 0.902 160 P CB -1.430 30.274 31.700 0.007 0.000 0.789 161 P HA 0.128 nan 4.420 nan 0.000 0.310 161 P C -0.178 177.120 177.300 -0.003 0.000 1.309 161 P CA 0.416 63.513 63.100 -0.004 0.000 0.753 161 P CB -0.135 31.559 31.700 -0.010 0.000 1.491 162 T N -1.140 113.409 114.554 -0.009 0.000 2.906 162 T HA 0.443 4.793 4.350 -0.001 0.000 0.295 162 T C -0.620 174.056 174.700 -0.039 0.000 1.075 162 T CA -0.739 61.356 62.100 -0.008 0.000 1.005 162 T CB 1.504 70.373 68.868 0.002 0.000 1.136 162 T HN 0.157 nan 8.240 nan 0.000 0.498 163 K N 1.553 121.919 120.400 -0.056 0.000 2.323 163 K HA 0.664 4.984 4.320 -0.001 0.000 0.259 163 K C -1.337 175.120 176.600 -0.239 0.000 0.947 163 K CA -0.736 55.435 56.287 -0.193 0.000 0.819 163 K CB 2.148 34.487 32.500 -0.269 0.000 1.109 163 K HN 0.247 nan 8.250 nan 0.000 0.429 164 V N 4.435 124.187 119.914 -0.270 0.000 2.378 164 V HA 0.275 4.395 4.120 -0.001 0.000 0.288 164 V C -1.052 174.913 176.094 -0.216 0.000 1.016 164 V CA -0.921 61.293 62.300 -0.142 0.000 0.840 164 V CB 0.323 32.117 31.823 -0.048 0.000 0.994 164 V HN 0.578 nan 8.190 nan 0.000 0.431 165 Y N 3.663 123.999 120.300 0.059 0.000 2.313 165 Y HA 0.503 5.053 4.550 -0.001 0.000 0.332 165 Y C 0.585 176.507 175.900 0.037 0.000 1.071 165 Y CA -0.146 57.996 58.100 0.070 0.000 1.169 165 Y CB 1.015 39.543 38.460 0.114 0.000 1.192 165 Y HN 0.646 nan 8.280 nan 0.000 0.487 166 N N 1.087 119.867 118.700 0.134 0.000 2.697 166 N HA 0.411 5.151 4.740 -0.001 0.000 0.272 166 N C -1.645 173.880 175.510 0.025 0.000 1.381 166 N CA -1.201 51.891 53.050 0.069 0.000 0.797 166 N CB 1.338 39.844 38.487 0.032 0.000 1.523 166 N HN 0.502 nan 8.380 nan 0.000 0.518 167 N N 0.740 119.449 118.700 0.016 0.000 2.392 167 N HA 0.143 4.882 4.740 -0.001 0.000 0.283 167 N C -1.593 173.911 175.510 -0.010 0.000 1.003 167 N CA -0.287 52.761 53.050 -0.004 0.000 0.892 167 N CB 1.702 40.201 38.487 0.020 0.000 1.193 167 N HN 0.540 nan 8.380 nan 0.000 0.487 168 D N 3.085 123.467 120.400 -0.029 0.000 2.638 168 D HA 0.193 4.833 4.640 -0.001 0.000 0.245 168 D C 1.244 177.536 176.300 -0.012 0.000 1.176 168 D CA -0.377 53.609 54.000 -0.024 0.000 0.996 168 D CB 0.059 40.835 40.800 -0.040 0.000 1.012 168 D HN 0.435 nan 8.370 nan 0.000 0.515 169 L N 0.916 122.140 121.223 0.002 0.000 2.450 169 L HA -0.141 4.198 4.340 -0.001 0.000 0.225 169 L C 1.775 178.652 176.870 0.012 0.000 1.145 169 L CA 1.320 56.168 54.840 0.013 0.000 0.801 169 L CB -0.627 41.444 42.059 0.020 0.000 0.924 169 L HN 0.359 nan 8.230 nan 0.000 0.447 170 T N -3.622 110.934 114.554 0.004 0.000 3.040 170 T HA 0.393 4.742 4.350 -0.001 0.000 0.250 170 T C 0.981 175.680 174.700 -0.003 0.000 1.058 170 T CA 0.211 62.312 62.100 0.003 0.000 0.988 170 T CB 0.145 69.013 68.868 -0.000 0.000 0.993 170 T HN 0.222 nan 8.240 nan 0.000 0.519 171 A N 1.498 124.312 122.820 -0.010 0.000 2.387 171 A HA 0.609 4.928 4.320 -0.001 0.000 0.251 171 A C 0.437 178.016 177.584 -0.009 0.000 1.113 171 A CA -0.279 51.747 52.037 -0.019 0.000 0.794 171 A CB 0.051 19.032 19.000 -0.032 0.000 1.069 171 A HN 0.377 nan 8.150 nan 0.000 0.506 172 S N -1.896 113.794 115.700 -0.016 0.000 2.618 172 S HA 0.636 5.105 4.470 -0.001 0.000 0.277 172 S C -1.372 173.216 174.600 -0.019 0.000 1.138 172 S CA -0.410 57.785 58.200 -0.008 0.000 0.844 172 S CB 1.431 64.629 63.200 -0.005 0.000 1.127 172 S HN 0.759 nan 8.310 nan 0.000 0.474 173 L N 1.977 123.191 121.223 -0.016 0.000 2.365 173 L HA 0.642 4.981 4.340 -0.001 0.000 0.273 173 L C -1.230 175.633 176.870 -0.012 0.000 1.000 173 L CA -0.359 54.459 54.840 -0.038 0.000 0.819 173 L CB 1.398 43.407 42.059 -0.083 0.000 1.284 173 L HN 0.657 nan 8.230 nan 0.000 0.418 174 M N 5.366 124.974 119.600 0.013 0.000 2.061 174 M HA 0.420 4.899 4.480 -0.001 0.000 0.346 174 M C -0.972 175.455 176.300 0.212 0.000 1.112 174 M CA -0.660 54.724 55.300 0.140 0.000 1.021 174 M CB 1.315 34.022 32.600 0.178 0.000 1.530 174 M HN 0.227 nan 8.290 nan 0.000 0.437 175 V N 2.518 122.460 119.914 0.048 0.000 2.612 175 V HA 0.903 5.022 4.120 -0.001 0.000 0.301 175 V C 0.014 176.013 176.094 -0.159 0.000 1.046 175 V CA -0.658 61.536 62.300 -0.176 0.000 0.946 175 V CB 1.705 33.189 31.823 -0.566 0.000 1.003 175 V HN 0.924 nan 8.190 nan 0.000 0.459 176 A N 4.284 126.948 122.820 -0.261 0.000 2.488 176 A HA 0.782 5.102 4.320 -0.001 0.000 0.298 176 A C -1.744 175.735 177.584 -0.175 0.000 1.044 176 A CA -0.412 51.495 52.037 -0.218 0.000 0.693 176 A CB 1.630 20.377 19.000 -0.421 0.000 1.272 176 A HN 0.602 nan 8.150 nan 0.000 0.402 177 L N 2.008 123.198 121.223 -0.055 0.000 2.356 177 L HA 0.500 4.839 4.340 -0.001 0.000 0.277 177 L C -0.977 175.890 176.870 -0.004 0.000 0.996 177 L CA -0.138 54.694 54.840 -0.012 0.000 0.822 177 L CB 1.746 43.910 42.059 0.176 0.000 1.256 177 L HN 0.901 nan 8.230 nan 0.000 0.413 178 D N 1.259 121.624 120.400 -0.058 0.000 2.781 178 D HA 0.181 4.821 4.640 -0.001 0.000 0.254 178 D C 0.879 177.176 176.300 -0.006 0.000 1.213 178 D CA 0.096 54.088 54.000 -0.013 0.000 0.994 178 D CB 0.625 41.438 40.800 0.021 0.000 1.019 178 D HN 0.416 nan 8.370 nan 0.000 0.514 179 S N 0.769 116.484 115.700 0.024 0.000 2.474 179 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 179 S C 1.301 175.932 174.600 0.051 0.000 0.997 179 S CA 0.440 58.668 58.200 0.047 0.000 0.949 179 S CB -0.100 63.143 63.200 0.071 0.000 0.766 179 S HN 0.506 nan 8.310 nan 0.000 0.517 180 N N 1.300 120.021 118.700 0.036 0.000 2.273 180 N HA 0.192 4.932 4.740 -0.001 0.000 0.231 180 N C -0.752 174.775 175.510 0.028 0.000 1.134 180 N CA -0.214 52.857 53.050 0.034 0.000 0.856 180 N CB 0.130 38.634 38.487 0.028 0.000 1.068 180 N HN 0.097 nan 8.380 nan 0.000 0.510 181 N N 1.097 119.814 118.700 0.028 0.000 2.823 181 N HA -0.165 4.575 4.740 -0.001 0.000 0.287 181 N C 0.017 175.537 175.510 0.016 0.000 1.007 181 N CA 0.690 53.760 53.050 0.034 0.000 0.840 181 N CB -0.139 38.370 38.487 0.037 0.000 0.944 181 N HN 0.355 nan 8.380 nan 0.000 0.590 182 T N -0.505 114.038 114.554 -0.018 0.000 3.054 182 T HA 0.096 4.446 4.350 -0.001 0.000 0.259 182 T C 1.170 175.728 174.700 -0.237 0.000 1.092 182 T CA 0.458 62.527 62.100 -0.052 0.000 1.121 182 T CB 0.454 69.300 68.868 -0.038 0.000 0.912 182 T HN 0.272 nan 8.240 nan 0.000 0.489 183 M N 1.158 120.601 119.600 -0.261 0.000 2.573 183 M HA 0.408 4.887 4.480 -0.001 0.000 0.309 183 M C -2.216 174.008 176.300 -0.128 0.000 1.202 183 M CA -2.528 52.485 55.300 -0.479 0.000 0.975 183 M CB 1.321 33.810 32.600 -0.185 0.000 1.600 183 M HN -0.176 nan 8.290 nan 0.000 0.479 184 P HA 0.030 nan 4.420 nan 0.000 0.272 184 P C -1.417 176.124 177.300 0.402 0.000 1.248 184 P CA 0.056 63.265 63.100 0.181 0.000 0.799 184 P CB 0.251 32.049 31.700 0.164 0.000 0.997 185 F N 0.760 120.844 119.950 0.225 0.000 2.403 185 F HA 0.361 4.888 4.527 -0.001 0.000 0.355 185 F C -0.181 175.777 175.800 0.263 0.000 1.119 185 F CA -0.325 57.821 58.000 0.243 0.000 1.007 185 F CB 0.766 39.879 39.000 0.188 0.000 1.194 185 F HN 0.151 nan 8.300 nan 0.000 0.443 186 T N 4.106 118.620 114.554 -0.067 0.000 3.332 186 T HA 0.411 4.760 4.350 -0.001 0.000 0.385 186 T C -2.844 171.730 174.700 -0.210 0.000 1.695 186 T CA -2.225 59.868 62.100 -0.011 0.000 1.397 186 T CB 0.133 69.120 68.868 0.198 0.000 1.100 186 T HN 0.256 nan 8.240 nan 0.000 0.669 187 P HA 0.273 nan 4.420 nan 0.000 0.264 187 P C 0.374 177.604 177.300 -0.117 0.000 1.229 187 P CA -0.144 62.787 63.100 -0.281 0.000 0.780 187 P CB 0.216 31.835 31.700 -0.135 0.000 0.808 188 A N 3.299 126.054 122.820 -0.108 0.000 2.648 188 A HA 0.406 4.726 4.320 -0.001 0.000 0.269 188 A C 1.489 179.033 177.584 -0.066 0.000 1.392 188 A CA 0.510 52.513 52.037 -0.057 0.000 1.019 188 A CB -0.750 18.232 19.000 -0.030 0.000 1.009 188 A HN 0.506 nan 8.150 nan 0.000 0.565 189 A N -0.852 121.935 122.820 -0.055 0.000 2.070 189 A HA 0.224 4.544 4.320 -0.001 0.000 0.202 189 A C 1.794 179.391 177.584 0.022 0.000 1.277 189 A CA 0.806 52.833 52.037 -0.017 0.000 0.872 189 A CB -0.365 18.631 19.000 -0.006 0.000 0.933 189 A HN 0.477 nan 8.150 nan 0.000 0.475 190 M N 0.067 119.676 119.600 0.015 0.000 2.089 190 M HA -0.189 4.291 4.480 -0.001 0.000 0.257 190 M C 1.154 177.447 176.300 -0.011 0.000 1.071 190 M CA 1.623 56.931 55.300 0.015 0.000 1.096 190 M CB -0.017 32.589 32.600 0.011 0.000 1.330 190 M HN 0.315 nan 8.290 nan 0.000 0.403 191 R N -1.343 119.138 120.500 -0.033 0.000 2.633 191 R HA 0.214 4.554 4.340 -0.001 0.000 0.348 191 R C 0.663 176.907 176.300 -0.094 0.000 1.100 191 R CA 0.183 56.252 56.100 -0.052 0.000 1.068 191 R CB 0.270 30.540 30.300 -0.051 0.000 1.351 191 R HN 0.302 nan 8.270 nan 0.000 0.575 192 S N 1.629 117.254 115.700 -0.125 0.000 3.477 192 S HA -0.187 4.283 4.470 -0.001 0.000 0.357 192 S C 0.009 174.304 174.600 -0.508 0.000 1.083 192 S CA 0.945 58.938 58.200 -0.345 0.000 1.042 192 S CB -0.894 62.145 63.200 -0.267 0.000 0.911 192 S HN 0.580 nan 8.310 nan 0.000 0.490 193 E N 1.257 121.313 120.200 -0.239 0.000 2.464 193 E HA 0.209 4.559 4.350 -0.001 0.000 0.260 193 E C 0.796 177.370 176.600 -0.043 0.000 1.318 193 E CA -0.183 56.151 56.400 -0.109 0.000 1.571 193 E CB 0.576 30.250 29.700 -0.043 0.000 1.525 193 E HN 0.445 nan 8.360 nan 0.000 0.449 194 T N 0.187 114.749 114.554 0.012 0.000 3.160 194 T HA 0.404 4.754 4.350 -0.001 0.000 0.251 194 T C 0.012 174.815 174.700 0.172 0.000 1.088 194 T CA -0.309 61.868 62.100 0.128 0.000 1.119 194 T CB 0.451 69.469 68.868 0.250 0.000 2.590 194 T HN 0.026 nan 8.240 nan 0.000 0.482 195 L N -0.017 121.286 121.223 0.135 0.000 2.354 195 L HA 0.630 4.970 4.340 -0.001 0.000 0.264 195 L C 0.700 177.506 176.870 -0.107 0.000 1.008 195 L CA -0.800 53.985 54.840 -0.091 0.000 0.819 195 L CB 1.267 43.121 42.059 -0.342 0.000 1.339 195 L HN 0.716 nan 8.230 nan 0.000 0.420 196 G N 0.104 108.774 108.800 -0.217 0.000 2.391 196 G HA2 0.084 4.044 3.960 -0.001 0.000 0.234 196 G HA3 0.084 4.044 3.960 -0.001 0.000 0.234 196 G C 0.106 174.923 174.900 -0.138 0.000 1.284 196 G CA 0.046 45.004 45.100 -0.236 0.000 0.873 196 G HN 0.455 nan 8.290 nan 0.000 0.549 197 F N 0.159 119.687 119.950 -0.704 0.000 2.776 197 F HA 0.256 4.782 4.527 -0.001 0.000 0.300 197 F C 0.252 175.505 175.800 -0.913 0.000 1.116 197 F CA -0.825 56.695 58.000 -0.800 0.000 1.375 197 F CB -0.144 38.287 39.000 -0.948 0.000 1.109 197 F HN 0.339 nan 8.300 nan 0.000 0.585 198 Y N 0.884 121.026 120.300 -0.264 0.000 2.417 198 Y HA 0.355 4.904 4.550 -0.001 0.000 0.336 198 Y C -1.618 173.878 175.900 -0.673 0.000 0.961 198 Y CA -3.483 54.189 58.100 -0.714 0.000 1.215 198 Y CB 0.243 38.157 38.460 -0.910 0.000 1.120 198 Y HN -0.179 nan 8.280 nan 0.000 0.499 199 P HA -0.188 nan 4.420 nan 0.000 0.215 199 P C 0.928 178.328 177.300 0.167 0.000 1.153 199 P CA 1.578 64.704 63.100 0.043 0.000 0.853 199 P CB -0.093 31.789 31.700 0.303 0.000 0.788 200 W N 0.758 122.217 121.300 0.265 0.000 3.316 200 W HA 0.254 4.913 4.660 -0.001 0.000 0.258 200 W C 0.159 176.771 176.519 0.156 0.000 1.330 200 W CA -0.508 56.961 57.345 0.205 0.000 1.595 200 W CB -0.991 28.552 29.460 0.138 0.000 1.088 200 W HN -0.096 nan 8.180 nan 0.000 0.734 201 K N 2.492 122.846 120.400 -0.076 0.000 2.559 201 K HA 0.319 4.638 4.320 -0.001 0.000 0.249 201 K C -2.548 174.013 176.600 -0.064 0.000 0.958 201 K CA -2.311 53.933 56.287 -0.071 0.000 0.901 201 K CB 1.204 33.603 32.500 -0.168 0.000 1.124 201 K HN -0.303 nan 8.250 nan 0.000 0.437 202 P HA -0.020 nan 4.420 nan 0.000 0.264 202 P C -0.480 176.730 177.300 -0.149 0.000 1.193 202 P CA -0.105 62.906 63.100 -0.147 0.000 0.763 202 P CB 1.308 32.906 31.700 -0.171 0.000 0.810 203 T N 2.086 116.533 114.554 -0.179 0.000 2.844 203 T HA 0.801 5.150 4.350 -0.001 0.000 0.274 203 T C -0.546 174.066 174.700 -0.146 0.000 0.991 203 T CA -0.895 61.111 62.100 -0.158 0.000 0.983 203 T CB 0.541 69.301 68.868 -0.180 0.000 1.310 203 T HN 0.355 nan 8.240 nan 0.000 0.596 204 I N -0.131 120.375 120.570 -0.107 0.000 2.644 204 I HA 0.563 4.733 4.170 -0.001 0.000 0.291 204 I C -2.922 173.165 176.117 -0.049 0.000 1.180 204 I CA -2.663 58.597 61.300 -0.066 0.000 1.040 204 I CB 2.069 40.062 38.000 -0.012 0.000 1.255 204 I HN 0.400 nan 8.210 nan 0.000 0.422 205 P HA 0.178 nan 4.420 nan 0.000 0.272 205 P C -0.303 177.022 177.300 0.042 0.000 1.254 205 P CA 0.039 63.141 63.100 0.003 0.000 0.795 205 P CB 0.395 32.132 31.700 0.061 0.000 1.022 206 T N -2.688 111.910 114.554 0.073 0.000 2.794 206 T HA 0.476 4.825 4.350 -0.001 0.000 0.280 206 T C -2.666 172.131 174.700 0.162 0.000 0.987 206 T CA -2.557 59.601 62.100 0.096 0.000 0.993 206 T CB 0.601 69.519 68.868 0.084 0.000 0.939 206 T HN 0.150 nan 8.240 nan 0.000 0.449 207 P HA 0.062 nan 4.420 nan 0.000 0.263 207 P C -0.736 176.704 177.300 0.233 0.000 1.195 207 P CA -0.383 62.810 63.100 0.154 0.000 0.762 207 P CB 0.306 32.046 31.700 0.068 0.000 0.799 208 W N 6.171 127.528 121.300 0.095 0.000 2.218 208 W HA 0.283 4.942 4.660 -0.001 0.000 0.326 208 W C 0.723 177.290 176.519 0.081 0.000 1.276 208 W CA 0.342 57.760 57.345 0.123 0.000 1.210 208 W CB 0.565 30.128 29.460 0.171 0.000 1.143 208 W HN 0.399 nan 8.180 nan 0.000 0.563 209 R N 4.880 125.053 120.500 -0.545 0.000 2.664 209 R HA 0.523 4.862 4.340 -0.001 0.000 0.266 209 R C -2.069 173.782 176.300 -0.748 0.000 1.046 209 R CA -0.822 54.950 56.100 -0.546 0.000 0.885 209 R CB 1.615 31.720 30.300 -0.326 0.000 1.254 209 R HN 0.665 nan 8.270 nan 0.000 0.465 210 Y N -1.343 118.597 120.300 -0.599 0.000 2.670 210 Y HA 0.581 5.131 4.550 -0.001 0.000 0.334 210 Y C -1.715 174.081 175.900 -0.173 0.000 1.185 210 Y CA -1.581 56.252 58.100 -0.444 0.000 1.053 210 Y CB 0.766 39.002 38.460 -0.372 0.000 1.298 210 Y HN 0.448 nan 8.280 nan 0.000 0.459 211 Y N 1.732 122.213 120.300 0.302 0.000 2.309 211 Y HA 0.409 4.959 4.550 -0.001 0.000 0.327 211 Y C -0.608 175.543 175.900 0.418 0.000 1.172 211 Y CA -0.493 57.812 58.100 0.341 0.000 1.280 211 Y CB 0.788 39.471 38.460 0.371 0.000 1.234 211 Y HN 0.607 nan 8.280 nan 0.000 0.512 212 F N 3.286 123.499 119.950 0.439 0.000 2.507 212 F HA 0.287 4.814 4.527 -0.001 0.000 0.325 212 F C -0.022 175.996 175.800 0.364 0.000 1.116 212 F CA -1.083 57.102 58.000 0.308 0.000 0.930 212 F CB 1.133 40.217 39.000 0.141 0.000 1.146 212 F HN 0.375 nan 8.300 nan 0.000 0.447 213 Q N 6.175 125.766 119.800 -0.349 0.000 2.388 213 Q HA -0.082 4.258 4.340 -0.001 0.000 0.302 213 Q C -1.425 174.598 176.000 0.038 0.000 1.149 213 Q CA 0.550 56.201 55.803 -0.253 0.000 1.014 213 Q CB 0.146 28.637 28.738 -0.413 0.000 1.072 213 Q HN 0.640 nan 8.270 nan 0.000 0.395 214 W N 4.242 125.560 121.300 0.030 0.000 2.532 214 W HA 0.546 5.205 4.660 -0.001 0.000 0.321 214 W C -1.428 175.044 176.519 -0.077 0.000 1.037 214 W CA -1.256 56.110 57.345 0.036 0.000 1.220 214 W CB 0.844 30.444 29.460 0.233 0.000 1.361 214 W HN 0.379 nan 8.180 nan 0.000 0.468 215 D N 3.417 123.741 120.400 -0.126 0.000 2.193 215 D HA 0.525 5.164 4.640 -0.001 0.000 0.244 215 D C -0.536 175.803 176.300 0.065 0.000 1.064 215 D CA -0.341 53.576 54.000 -0.137 0.000 0.845 215 D CB 0.984 41.694 40.800 -0.150 0.000 1.148 215 D HN 0.503 nan 8.370 nan 0.000 0.464 216 R N 1.357 121.977 120.500 0.200 0.000 2.734 216 R HA 0.603 4.943 4.340 -0.001 0.000 0.271 216 R C -1.532 174.953 176.300 0.309 0.000 1.021 216 R CA -0.613 55.697 56.100 0.349 0.000 0.893 216 R CB 1.918 32.439 30.300 0.369 0.000 1.244 216 R HN 0.441 nan 8.270 nan 0.000 0.464 217 T N 2.249 116.971 114.554 0.280 0.000 2.916 217 T HA 0.565 4.915 4.350 -0.001 0.000 0.298 217 T C -1.656 173.119 174.700 0.125 0.000 1.031 217 T CA -0.551 61.673 62.100 0.207 0.000 0.993 217 T CB 1.431 70.458 68.868 0.266 0.000 1.045 217 T HN 0.389 nan 8.240 nan 0.000 0.454 218 L N 4.315 125.598 121.223 0.099 0.000 2.639 218 L HA 0.585 4.925 4.340 -0.001 0.000 0.264 218 L C -1.632 175.265 176.870 0.045 0.000 0.948 218 L CA -0.493 54.388 54.840 0.068 0.000 0.912 218 L CB 1.006 43.114 42.059 0.082 0.000 1.294 218 L HN 0.661 nan 8.230 nan 0.000 0.412 219 I N 5.478 126.064 120.570 0.026 0.000 2.396 219 I HA 0.481 4.651 4.170 -0.001 0.000 0.292 219 I C -1.747 174.367 176.117 -0.005 0.000 0.999 219 I CA -1.875 59.432 61.300 0.011 0.000 1.310 219 I CB 0.926 38.931 38.000 0.007 0.000 1.404 219 I HN 0.449 nan 8.210 nan 0.000 0.496 220 P HA 0.095 nan 4.420 nan 0.000 0.273 220 P C -0.728 176.547 177.300 -0.042 0.000 1.258 220 P CA -0.183 62.902 63.100 -0.025 0.000 0.802 220 P CB 0.456 32.149 31.700 -0.013 0.000 1.040 221 S N -2.599 113.066 115.700 -0.058 0.000 2.551 221 S HA 0.297 4.766 4.470 -0.001 0.000 0.325 221 S C -0.530 173.999 174.600 -0.119 0.000 0.963 221 S CA -0.992 57.127 58.200 -0.135 0.000 0.876 221 S CB -0.885 62.233 63.200 -0.137 0.000 1.132 221 S HN 0.738 nan 8.310 nan 0.000 0.458 222 H N 1.044 120.093 119.070 -0.035 0.000 2.309 222 H HA 0.613 5.168 4.556 -0.001 0.000 0.341 222 H C 1.480 176.788 175.328 -0.033 0.000 1.677 222 H CA 0.278 56.303 56.048 -0.038 0.000 1.440 222 H CB -0.558 29.184 29.762 -0.034 0.000 1.693 222 H HN 0.404 nan 8.280 nan 0.000 0.608 223 T N -0.803 113.848 114.554 0.161 0.000 2.881 223 T HA -0.075 4.274 4.350 -0.001 0.000 0.270 223 T C 2.027 176.774 174.700 0.078 0.000 1.068 223 T CA 1.428 63.576 62.100 0.079 0.000 1.131 223 T CB -0.652 68.260 68.868 0.073 0.000 0.871 223 T HN 0.819 nan 8.240 nan 0.000 0.479 224 G N 1.040 109.995 108.800 0.257 0.000 2.437 224 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.212 224 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.212 224 G C 0.645 175.494 174.900 -0.084 0.000 1.174 224 G CA -0.018 45.189 45.100 0.178 0.000 0.811 224 G HN 0.413 nan 8.290 nan 0.000 0.537 225 T N 2.716 116.941 114.554 -0.548 0.000 2.542 225 T HA 0.217 4.566 4.350 -0.001 0.000 0.246 225 T C 0.984 175.573 174.700 -0.184 0.000 1.052 225 T CA 0.561 62.398 62.100 -0.440 0.000 1.251 225 T CB -0.241 68.278 68.868 -0.580 0.000 1.031 225 T HN 0.476 nan 8.240 nan 0.000 0.498 226 S N 3.213 118.855 115.700 -0.097 0.000 2.584 226 S HA 0.553 5.022 4.470 -0.001 0.000 0.270 226 S C 1.048 175.615 174.600 -0.056 0.000 1.346 226 S CA -0.342 57.825 58.200 -0.056 0.000 1.018 226 S CB 0.587 63.771 63.200 -0.028 0.000 0.899 226 S HN 1.551 nan 8.310 nan 0.000 0.542 227 G N 1.123 109.898 108.800 -0.042 0.000 2.894 227 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.247 227 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.247 227 G C -0.040 174.835 174.900 -0.043 0.000 1.442 227 G CA -0.283 44.795 45.100 -0.035 0.000 0.897 227 G HN 2.075 nan 8.290 nan 0.000 0.550 228 T N 0.169 114.703 114.554 -0.034 0.000 2.723 228 T HA 0.598 4.947 4.350 -0.001 0.000 0.297 228 T C -0.377 174.303 174.700 -0.032 0.000 0.925 228 T CA -0.352 61.728 62.100 -0.033 0.000 1.030 228 T CB 1.521 70.374 68.868 -0.025 0.000 0.905 228 T HN 0.581 nan 8.240 nan 0.000 0.502 229 P HA 0.072 nan 4.420 nan 0.000 0.199 229 P C 0.100 177.389 177.300 -0.017 0.000 1.085 229 P CA 0.650 63.730 63.100 -0.034 0.000 0.924 229 P CB 0.012 31.686 31.700 -0.044 0.000 0.736 230 T N -1.133 113.415 114.554 -0.011 0.000 3.841 230 T HA 0.418 4.768 4.350 -0.001 0.000 0.428 230 T C -1.746 172.960 174.700 0.010 0.000 1.447 230 T CA -0.683 61.418 62.100 0.001 0.000 1.135 230 T CB 0.109 68.983 68.868 0.010 0.000 1.389 230 T HN 0.615 nan 8.240 nan 0.000 0.461 231 N N 3.137 121.841 118.700 0.008 0.000 2.929 231 N HA 0.609 5.348 4.740 -0.001 0.000 0.245 231 N C -1.774 173.739 175.510 0.005 0.000 1.081 231 N CA -0.649 52.414 53.050 0.022 0.000 1.048 231 N CB 1.025 39.526 38.487 0.024 0.000 1.629 231 N HN 0.594 nan 8.380 nan 0.000 0.598 232 I N 1.273 121.841 120.570 -0.003 0.000 3.004 232 I HA 0.306 4.475 4.170 -0.001 0.000 0.305 232 I C -1.630 174.482 176.117 -0.008 0.000 1.312 232 I CA -0.988 60.277 61.300 -0.058 0.000 0.992 232 I CB 2.316 40.161 38.000 -0.258 0.000 1.282 232 I HN 0.637 nan 8.210 nan 0.000 0.449 233 Y N 3.030 123.274 120.300 -0.095 0.000 2.717 233 Y HA 0.354 4.904 4.550 -0.001 0.000 0.329 233 Y C 0.827 176.716 175.900 -0.018 0.000 1.017 233 Y CA -0.146 57.959 58.100 0.008 0.000 1.275 233 Y CB 0.243 38.720 38.460 0.028 0.000 1.109 233 Y HN 0.530 nan 8.280 nan 0.000 0.511 234 H N 3.015 121.970 119.070 -0.192 0.000 2.290 234 H HA 0.080 4.636 4.556 -0.001 0.000 0.298 234 H C 1.596 176.797 175.328 -0.212 0.000 1.087 234 H CA 1.942 57.901 56.048 -0.148 0.000 1.291 234 H CB 0.063 29.746 29.762 -0.131 0.000 1.369 234 H HN 0.874 nan 8.280 nan 0.000 0.492 235 G N -1.604 106.975 108.800 -0.370 0.000 2.113 235 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.082 235 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.082 235 G C -0.831 173.985 174.900 -0.140 0.000 1.155 235 G CA -0.171 44.764 45.100 -0.275 0.000 1.241 235 G HN 0.322 nan 8.290 nan 0.000 0.453 236 T N 1.890 116.452 114.554 0.014 0.000 2.928 236 T HA 0.569 4.919 4.350 -0.001 0.000 0.296 236 T C -1.847 172.852 174.700 -0.001 0.000 1.000 236 T CA -0.547 61.578 62.100 0.042 0.000 0.989 236 T CB 1.876 70.871 68.868 0.213 0.000 1.005 236 T HN 0.434 nan 8.240 nan 0.000 0.442 237 D N 4.762 125.124 120.400 -0.063 0.000 2.346 237 D HA 0.192 4.831 4.640 -0.001 0.000 0.260 237 D C -1.376 174.891 176.300 -0.054 0.000 1.252 237 D CA -1.961 51.996 54.000 -0.071 0.000 0.895 237 D CB 1.319 42.051 40.800 -0.112 0.000 1.097 237 D HN 0.178 nan 8.370 nan 0.000 0.489 238 P HA -0.109 nan 4.420 nan 0.000 0.229 238 P C 0.538 177.824 177.300 -0.023 0.000 1.150 238 P CA 0.810 63.910 63.100 0.000 0.000 0.765 238 P CB 0.525 32.233 31.700 0.012 0.000 0.783 239 D N -0.137 120.233 120.400 -0.050 0.000 2.240 239 D HA -0.032 4.608 4.640 -0.001 0.000 0.206 239 D C -0.035 176.216 176.300 -0.082 0.000 0.963 239 D CA 0.962 54.928 54.000 -0.056 0.000 0.863 239 D CB -0.027 40.738 40.800 -0.059 0.000 0.973 239 D HN 0.313 nan 8.370 nan 0.000 0.501 240 D N 0.548 120.878 120.400 -0.117 0.000 3.163 240 D HA 0.148 4.787 4.640 -0.001 0.000 0.284 240 D C -0.658 175.494 176.300 -0.246 0.000 1.368 240 D CA -0.099 53.804 54.000 -0.161 0.000 0.895 240 D CB 1.118 41.808 40.800 -0.183 0.000 1.061 240 D HN -0.190 nan 8.370 nan 0.000 0.496 241 V N 1.718 121.528 119.914 -0.175 0.000 2.293 241 V HA 0.203 4.323 4.120 -0.001 0.000 0.275 241 V C -0.163 175.891 176.094 -0.067 0.000 1.021 241 V CA -0.613 61.579 62.300 -0.181 0.000 0.815 241 V CB 1.043 32.882 31.823 0.028 0.000 1.025 241 V HN 0.274 nan 8.190 nan 0.000 0.448 242 Q N 4.662 124.399 119.800 -0.104 0.000 2.394 242 Q HA 0.415 4.755 4.340 -0.001 0.000 0.259 242 Q C -1.244 174.844 176.000 0.148 0.000 1.021 242 Q CA -0.529 55.211 55.803 -0.104 0.000 0.805 242 Q CB 2.278 30.902 28.738 -0.190 0.000 1.226 242 Q HN 0.630 nan 8.270 nan 0.000 0.476 243 F N 4.272 124.195 119.950 -0.046 0.000 2.325 243 F HA 0.370 4.896 4.527 -0.001 0.000 0.369 243 F C -1.533 174.263 175.800 -0.006 0.000 1.095 243 F CA -1.525 56.553 58.000 0.131 0.000 1.082 243 F CB 0.160 39.245 39.000 0.141 0.000 1.289 243 F HN 0.376 nan 8.300 nan 0.000 0.462 244 Y N 2.550 123.178 120.300 0.546 0.000 2.354 244 Y HA 0.587 5.136 4.550 -0.001 0.000 0.322 244 Y C 0.466 176.368 175.900 0.002 0.000 1.253 244 Y CA -0.597 57.570 58.100 0.113 0.000 1.272 244 Y CB 1.661 40.110 38.460 -0.020 0.000 1.255 244 Y HN 0.434 nan 8.280 nan 0.000 0.500 245 T N 3.194 117.803 114.554 0.091 0.000 3.237 245 T HA 0.318 4.668 4.350 -0.001 0.000 0.319 245 T C 0.869 175.558 174.700 -0.018 0.000 1.037 245 T CA -0.571 61.468 62.100 -0.102 0.000 1.048 245 T CB 0.676 69.300 68.868 -0.407 0.000 1.081 245 T HN 0.547 nan 8.240 nan 0.000 0.455 246 I N 1.300 121.875 120.570 0.007 0.000 2.252 246 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 246 I C 2.269 178.314 176.117 -0.119 0.000 1.102 246 I CA 1.298 62.454 61.300 -0.240 0.000 1.385 246 I CB -0.035 37.480 38.000 -0.809 0.000 1.064 246 I HN 0.587 nan 8.210 nan 0.000 0.414 247 E N 1.112 121.364 120.200 0.087 0.000 2.085 247 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 247 E C 1.815 178.430 176.600 0.025 0.000 0.994 247 E CA 1.549 58.026 56.400 0.129 0.000 0.801 247 E CB -0.390 29.439 29.700 0.214 0.000 0.743 247 E HN 0.505 nan 8.360 nan 0.000 0.453 248 N N -0.797 117.894 118.700 -0.015 0.000 2.173 248 N HA -0.048 4.692 4.740 -0.001 0.000 0.184 248 N C 1.522 177.015 175.510 -0.028 0.000 1.025 248 N CA 1.468 54.497 53.050 -0.035 0.000 0.852 248 N CB 0.123 38.563 38.487 -0.078 0.000 0.998 248 N HN 0.066 nan 8.380 nan 0.000 0.427 249 S N -0.733 114.948 115.700 -0.031 0.000 2.470 249 S HA 0.184 4.653 4.470 -0.001 0.000 0.222 249 S C 0.525 175.104 174.600 -0.035 0.000 1.024 249 S CA -0.105 58.085 58.200 -0.018 0.000 0.931 249 S CB 0.488 63.692 63.200 0.006 0.000 0.791 249 S HN -0.067 nan 8.310 nan 0.000 0.513 250 V N 3.871 123.744 119.914 -0.069 0.000 2.588 250 V HA 0.456 4.575 4.120 -0.001 0.000 0.304 250 V C -2.714 173.329 176.094 -0.085 0.000 1.042 250 V CA -2.275 59.978 62.300 -0.077 0.000 0.877 250 V CB 1.879 33.633 31.823 -0.116 0.000 0.996 250 V HN 0.079 nan 8.190 nan 0.000 0.425 251 P HA 0.256 nan 4.420 nan 0.000 0.272 251 P C -0.911 176.317 177.300 -0.119 0.000 1.223 251 P CA -0.087 62.953 63.100 -0.099 0.000 0.784 251 P CB 0.790 32.413 31.700 -0.129 0.000 0.923 252 V N 3.316 123.153 119.914 -0.128 0.000 2.448 252 V HA 0.234 4.353 4.120 -0.001 0.000 0.295 252 V C 0.136 176.148 176.094 -0.137 0.000 1.025 252 V CA -0.561 61.704 62.300 -0.058 0.000 0.859 252 V CB 0.944 32.825 31.823 0.096 0.000 0.988 252 V HN 0.550 nan 8.190 nan 0.000 0.431 253 H N 5.176 124.253 119.070 0.013 0.000 2.640 253 H HA 0.340 4.895 4.556 -0.001 0.000 0.297 253 H C -0.715 174.628 175.328 0.025 0.000 1.073 253 H CA -0.552 55.520 56.048 0.040 0.000 1.305 253 H CB 1.730 31.543 29.762 0.084 0.000 1.404 253 H HN 0.372 nan 8.280 nan 0.000 0.459 254 L N 5.402 126.696 121.223 0.117 0.000 2.385 254 L HA 0.036 4.376 4.340 -0.001 0.000 0.285 254 L C -0.055 176.865 176.870 0.083 0.000 1.125 254 L CA 0.072 54.959 54.840 0.078 0.000 0.890 254 L CB -0.010 42.080 42.059 0.051 0.000 1.251 254 L HN 0.357 nan 8.230 nan 0.000 0.445 255 L N 3.925 125.187 121.223 0.066 0.000 2.375 255 L HA 0.429 4.769 4.340 -0.001 0.000 0.271 255 L C 0.901 177.795 176.870 0.041 0.000 1.107 255 L CA 0.144 55.021 54.840 0.061 0.000 0.806 255 L CB 1.229 43.307 42.059 0.031 0.000 1.146 255 L HN 0.673 nan 8.230 nan 0.000 0.447 256 R N 0.667 121.198 120.500 0.052 0.000 3.091 256 R HA 0.382 4.722 4.340 -0.001 0.000 0.197 256 R C 1.019 177.355 176.300 0.061 0.000 1.554 256 R CA -0.444 55.683 56.100 0.045 0.000 0.895 256 R CB 0.128 30.453 30.300 0.042 0.000 2.235 256 R HN 0.519 nan 8.270 nan 0.000 0.512 257 T N -0.223 114.369 114.554 0.065 0.000 3.010 257 T HA 0.035 4.384 4.350 -0.001 0.000 0.252 257 T C 1.190 175.949 174.700 0.098 0.000 1.047 257 T CA 0.927 63.079 62.100 0.086 0.000 1.140 257 T CB 0.019 68.932 68.868 0.076 0.000 0.885 257 T HN 0.661 nan 8.240 nan 0.000 0.464 258 G N 1.801 110.649 108.800 0.079 0.000 3.591 258 G HA2 0.246 4.206 3.960 -0.001 0.000 0.282 258 G HA3 0.246 4.206 3.960 -0.001 0.000 0.282 258 G C -0.571 174.374 174.900 0.076 0.000 1.238 258 G CA -0.311 44.835 45.100 0.076 0.000 0.993 258 G HN 0.304 nan 8.290 nan 0.000 0.542 259 D N 0.083 120.538 120.400 0.091 0.000 2.619 259 D HA 0.280 4.920 4.640 -0.001 0.000 0.241 259 D C -0.937 175.436 176.300 0.121 0.000 1.087 259 D CA -0.315 53.741 54.000 0.093 0.000 0.851 259 D CB 2.587 43.442 40.800 0.093 0.000 1.474 259 D HN 0.229 nan 8.370 nan 0.000 0.478 260 E N 2.089 122.355 120.200 0.111 0.000 2.199 260 E HA 0.297 4.647 4.350 -0.001 0.000 0.265 260 E C -1.676 174.992 176.600 0.113 0.000 0.882 260 E CA -0.679 55.801 56.400 0.132 0.000 0.759 260 E CB 1.498 31.253 29.700 0.090 0.000 1.148 260 E HN 0.250 nan 8.360 nan 0.000 0.412 261 F N 3.813 123.762 119.950 -0.003 0.000 2.411 261 F HA 0.667 5.194 4.527 -0.001 0.000 0.352 261 F C -1.007 174.763 175.800 -0.050 0.000 1.123 261 F CA -0.353 57.607 58.000 -0.067 0.000 1.044 261 F CB 1.269 40.214 39.000 -0.092 0.000 1.135 261 F HN 0.523 nan 8.300 nan 0.000 0.461 262 A N 4.397 126.758 122.820 -0.764 0.000 2.449 262 A HA 0.678 4.998 4.320 -0.001 0.000 0.302 262 A C -0.341 176.772 177.584 -0.785 0.000 1.048 262 A CA -0.565 51.139 52.037 -0.555 0.000 0.708 262 A CB 1.205 20.020 19.000 -0.308 0.000 1.274 262 A HN 0.706 nan 8.150 nan 0.000 0.410 263 T N 0.350 114.621 114.554 -0.472 0.000 3.018 263 T HA 0.598 4.947 4.350 -0.001 0.000 0.338 263 T C 1.088 175.631 174.700 -0.263 0.000 1.208 263 T CA 0.442 62.344 62.100 -0.330 0.000 0.963 263 T CB 0.397 69.174 68.868 -0.151 0.000 1.697 263 T HN 1.086 nan 8.240 nan 0.000 0.560 264 G N -0.363 108.327 108.800 -0.183 0.000 3.122 264 G HA2 0.535 4.495 3.960 -0.001 0.000 0.180 264 G HA3 0.535 4.495 3.960 -0.001 0.000 0.180 264 G C -1.129 173.648 174.900 -0.206 0.000 1.279 264 G CA -0.490 44.510 45.100 -0.166 0.000 0.987 264 G HN 0.574 nan 8.290 nan 0.000 0.589 265 T N 0.811 115.222 114.554 -0.240 0.000 2.788 265 T HA 0.386 4.735 4.350 -0.001 0.000 0.296 265 T C -1.393 172.981 174.700 -0.545 0.000 1.009 265 T CA -0.065 61.784 62.100 -0.418 0.000 0.949 265 T CB 0.857 69.415 68.868 -0.516 0.000 0.946 265 T HN 0.259 nan 8.240 nan 0.000 0.453 266 F N 4.400 123.997 119.950 -0.588 0.000 2.404 266 F HA 0.545 5.071 4.527 -0.001 0.000 0.358 266 F C -0.747 174.619 175.800 -0.722 0.000 1.120 266 F CA -1.406 56.258 58.000 -0.560 0.000 1.144 266 F CB 0.182 38.903 39.000 -0.464 0.000 1.133 266 F HN 0.438 nan 8.300 nan 0.000 0.495 267 F N 5.807 125.357 119.950 -0.667 0.000 2.396 267 F HA 0.351 4.877 4.527 -0.001 0.000 0.343 267 F C -0.431 175.007 175.800 -0.604 0.000 1.104 267 F CA -0.364 57.358 58.000 -0.462 0.000 1.161 267 F CB 0.503 39.297 39.000 -0.344 0.000 1.146 267 F HN 0.214 nan 8.300 nan 0.000 0.522 268 F N 1.742 121.663 119.950 -0.049 0.000 2.436 268 F HA 0.265 4.791 4.527 -0.001 0.000 0.340 268 F C 0.160 175.945 175.800 -0.024 0.000 1.113 268 F CA -0.804 57.165 58.000 -0.052 0.000 1.022 268 F CB 1.249 40.174 39.000 -0.125 0.000 1.128 268 F HN 0.307 nan 8.300 nan 0.000 0.466 269 D N 3.702 124.224 120.400 0.203 0.000 2.517 269 D HA 0.302 4.941 4.640 -0.001 0.000 0.301 269 D C -1.160 175.242 176.300 0.171 0.000 1.202 269 D CA -0.094 53.986 54.000 0.132 0.000 0.910 269 D CB 0.217 41.046 40.800 0.049 0.000 1.021 269 D HN 0.492 nan 8.370 nan 0.000 0.499 270 C N 0.126 119.556 119.300 0.218 0.000 2.971 270 C HA 0.669 5.129 4.460 -0.001 0.000 0.310 270 C C 0.188 175.343 174.990 0.276 0.000 1.285 270 C CA -1.188 57.975 59.018 0.243 0.000 1.593 270 C CB 1.308 29.233 27.740 0.308 0.000 2.076 270 C HN 0.209 nan 8.230 nan 0.000 0.472 271 K N 1.573 122.124 120.400 0.252 0.000 2.237 271 K HA 0.416 4.736 4.320 -0.001 0.000 0.270 271 K C -2.216 174.564 176.600 0.301 0.000 1.015 271 K CA -0.640 55.784 56.287 0.228 0.000 0.949 271 K CB 0.456 33.032 32.500 0.127 0.000 0.976 271 K HN 0.524 nan 8.250 nan 0.000 0.472 272 P HA -0.014 nan 4.420 nan 0.000 0.271 272 P C -0.522 176.776 177.300 -0.005 0.000 1.233 272 P CA -0.524 62.728 63.100 0.253 0.000 0.789 272 P CB 0.515 32.331 31.700 0.192 0.000 0.951 273 C N 2.368 121.611 119.300 -0.095 0.000 2.417 273 C HA 0.535 4.994 4.460 -0.001 0.000 0.324 273 C C -0.152 174.768 174.990 -0.116 0.000 1.240 273 C CA -0.612 58.282 59.018 -0.207 0.000 1.632 273 C CB 0.176 27.701 27.740 -0.359 0.000 2.241 273 C HN 0.506 nan 8.230 nan 0.000 0.499 274 R N 5.226 125.671 120.500 -0.090 0.000 2.338 274 R HA 0.404 4.743 4.340 -0.001 0.000 0.317 274 R C -0.181 176.087 176.300 -0.054 0.000 0.968 274 R CA -0.510 55.550 56.100 -0.066 0.000 0.849 274 R CB 1.037 31.316 30.300 -0.035 0.000 1.128 274 R HN 0.742 nan 8.270 nan 0.000 0.448 275 L N 2.495 123.674 121.223 -0.073 0.000 2.779 275 L HA 0.153 4.492 4.340 -0.001 0.000 0.239 275 L C -0.238 176.632 176.870 -0.000 0.000 1.245 275 L CA 0.300 55.094 54.840 -0.076 0.000 1.064 275 L CB -0.331 41.643 42.059 -0.142 0.000 1.350 275 L HN 0.623 nan 8.230 nan 0.000 0.455 276 T N -1.177 113.398 114.554 0.035 0.000 2.900 276 T HA 0.441 4.790 4.350 -0.001 0.000 0.295 276 T C -0.793 173.989 174.700 0.137 0.000 1.044 276 T CA -0.568 61.579 62.100 0.078 0.000 0.995 276 T CB 2.012 70.882 68.868 0.003 0.000 1.072 276 T HN 0.239 nan 8.240 nan 0.000 0.473 277 H N -0.403 118.722 119.070 0.091 0.000 2.622 277 H HA 0.644 5.199 4.556 -0.001 0.000 0.363 277 H C -0.932 174.458 175.328 0.105 0.000 1.151 277 H CA -0.904 55.212 56.048 0.113 0.000 1.184 277 H CB 1.156 31.030 29.762 0.187 0.000 1.643 277 H HN 0.632 nan 8.280 nan 0.000 0.531 278 T N 0.628 115.219 114.554 0.062 0.000 2.799 278 T HA 0.170 4.519 4.350 -0.001 0.000 0.286 278 T C 0.771 175.520 174.700 0.081 0.000 0.973 278 T CA -0.966 61.087 62.100 -0.077 0.000 1.035 278 T CB 0.706 69.518 68.868 -0.093 0.000 0.932 278 T HN 0.915 nan 8.240 nan 0.000 0.469 279 W N 1.544 122.867 121.300 0.040 0.000 3.005 279 W HA 0.312 4.972 4.660 -0.001 0.000 0.374 279 W C -0.496 176.058 176.519 0.057 0.000 1.076 279 W CA -0.840 56.558 57.345 0.088 0.000 1.794 279 W CB -0.063 29.442 29.460 0.074 0.000 1.113 279 W HN 0.513 nan 8.180 nan 0.000 0.584 280 Q N 2.057 121.584 119.800 -0.454 0.000 2.257 280 Q HA 0.266 4.606 4.340 -0.001 0.000 0.255 280 Q C 0.308 176.236 176.000 -0.121 0.000 0.920 280 Q CA 0.202 55.704 55.803 -0.502 0.000 0.927 280 Q CB 2.443 30.706 28.738 -0.790 0.000 1.229 280 Q HN -0.112 nan 8.270 nan 0.000 0.433 281 T N 0.521 115.075 114.554 0.000 0.000 3.485 281 T HA 0.138 4.487 4.350 -0.001 0.000 0.237 281 T C 0.724 175.412 174.700 -0.021 0.000 0.947 281 T CA -0.416 61.697 62.100 0.021 0.000 1.490 281 T CB 0.137 69.049 68.868 0.074 0.000 2.655 281 T HN 0.497 nan 8.240 nan 0.000 0.416 282 N N -0.175 118.526 118.700 0.002 0.000 2.181 282 N HA 0.156 4.895 4.740 -0.001 0.000 0.207 282 N C 1.172 176.682 175.510 -0.001 0.000 1.182 282 N CA -0.020 53.016 53.050 -0.024 0.000 0.893 282 N CB 0.642 39.119 38.487 -0.016 0.000 1.032 282 N HN 0.151 nan 8.380 nan 0.000 0.513 283 R N 0.258 120.781 120.500 0.039 0.000 2.362 283 R HA 0.296 4.636 4.340 -0.001 0.000 0.227 283 R C 0.397 176.755 176.300 0.096 0.000 0.905 283 R CA 0.052 56.191 56.100 0.064 0.000 1.067 283 R CB 0.656 31.003 30.300 0.078 0.000 1.078 283 R HN -0.024 nan 8.270 nan 0.000 0.516 284 A N 1.098 123.978 122.820 0.101 0.000 2.855 284 A HA 0.430 4.750 4.320 -0.001 0.000 0.301 284 A C -0.275 177.352 177.584 0.072 0.000 1.076 284 A CA -0.303 51.833 52.037 0.165 0.000 1.004 284 A CB 0.257 19.463 19.000 0.344 0.000 1.152 284 A HN 0.043 nan 8.150 nan 0.000 0.531 285 L N 0.318 121.566 121.223 0.040 0.000 2.404 285 L HA 0.662 5.002 4.340 -0.001 0.000 0.272 285 L C 0.593 177.497 176.870 0.056 0.000 0.980 285 L CA -0.033 54.809 54.840 0.002 0.000 0.836 285 L CB 1.598 43.533 42.059 -0.207 0.000 1.238 285 L HN 0.690 nan 8.230 nan 0.000 0.408 286 G N 2.471 111.404 108.800 0.222 0.000 2.472 286 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.205 286 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.205 286 G C -1.378 173.619 174.900 0.161 0.000 1.270 286 G CA -0.802 44.444 45.100 0.244 0.000 0.974 286 G HN 0.451 nan 8.290 nan 0.000 0.542 287 L N 3.150 124.451 121.223 0.131 0.000 2.312 287 L HA 0.578 4.918 4.340 -0.001 0.000 0.287 287 L C -1.057 175.874 176.870 0.102 0.000 1.091 287 L CA -1.339 53.565 54.840 0.107 0.000 0.846 287 L CB -0.038 42.077 42.059 0.093 0.000 1.219 287 L HN 0.567 nan 8.230 nan 0.000 0.439 288 P HA 0.267 nan 4.420 nan 0.000 0.271 288 P C -2.527 174.836 177.300 0.104 0.000 1.244 288 P CA -0.918 62.239 63.100 0.096 0.000 0.793 288 P CB -0.615 31.138 31.700 0.090 0.000 0.984 289 P HA 0.091 nan 4.420 nan 0.000 0.272 289 P C -0.790 176.606 177.300 0.160 0.000 1.248 289 P CA -0.031 63.142 63.100 0.121 0.000 0.799 289 P CB 0.212 31.968 31.700 0.093 0.000 0.997 290 F N 0.643 120.614 119.950 0.035 0.000 2.404 290 F HA 0.383 4.909 4.527 -0.001 0.000 0.354 290 F C -0.508 175.310 175.800 0.030 0.000 1.122 290 F CA -0.801 57.217 58.000 0.030 0.000 1.080 290 F CB 0.430 39.446 39.000 0.026 0.000 1.131 290 F HN 0.005 nan 8.300 nan 0.000 0.471 291 L N 7.281 128.152 121.223 -0.587 0.000 2.282 291 L HA 0.238 4.578 4.340 -0.001 0.000 0.287 291 L C 0.577 177.072 176.870 -0.625 0.000 1.075 291 L CA -0.225 54.359 54.840 -0.426 0.000 0.839 291 L CB 0.393 42.297 42.059 -0.258 0.000 1.219 291 L HN 0.717 nan 8.230 nan 0.000 0.434 292 N N 0.420 118.926 118.700 -0.322 0.000 2.453 292 N HA -0.111 4.629 4.740 -0.001 0.000 0.183 292 N C 0.404 175.851 175.510 -0.105 0.000 1.041 292 N CA 0.530 53.497 53.050 -0.138 0.000 0.900 292 N CB 0.206 38.741 38.487 0.079 0.000 0.961 292 N HN 0.428 nan 8.380 nan 0.000 0.443 293 S N -0.009 115.623 115.700 -0.113 0.000 2.647 293 S HA 0.539 5.009 4.470 -0.001 0.000 0.300 293 S C -1.255 173.301 174.600 -0.074 0.000 1.129 293 S CA -0.831 57.331 58.200 -0.064 0.000 1.029 293 S CB 0.354 63.541 63.200 -0.022 0.000 1.007 293 S HN 0.026 nan 8.310 nan 0.000 0.484 294 L N 4.965 126.148 121.223 -0.068 0.000 2.342 294 L HA 0.628 4.968 4.340 -0.001 0.000 0.271 294 L C -1.923 174.921 176.870 -0.043 0.000 1.008 294 L CA -2.301 52.502 54.840 -0.062 0.000 0.818 294 L CB 1.553 43.567 42.059 -0.074 0.000 1.296 294 L HN 0.491 nan 8.230 nan 0.000 0.427 295 P HA 0.113 nan 4.420 nan 0.000 0.271 295 P C -0.682 176.591 177.300 -0.045 0.000 1.244 295 P CA -0.254 62.817 63.100 -0.048 0.000 0.793 295 P CB 0.632 32.290 31.700 -0.070 0.000 0.984 296 Q N -1.153 118.621 119.800 -0.043 0.000 2.140 296 Q HA 0.180 4.519 4.340 -0.001 0.000 0.227 296 Q C 0.056 176.031 176.000 -0.040 0.000 0.798 296 Q CA -0.061 55.720 55.803 -0.037 0.000 0.987 296 Q CB 0.606 29.328 28.738 -0.028 0.000 1.161 296 Q HN 0.600 nan 8.270 nan 0.000 0.480 297 S N -0.992 114.677 115.700 -0.051 0.000 2.661 297 S HA 0.492 4.962 4.470 -0.001 0.000 0.285 297 S C -0.668 173.890 174.600 -0.070 0.000 1.138 297 S CA -0.963 57.205 58.200 -0.054 0.000 0.855 297 S CB 2.400 65.569 63.200 -0.052 0.000 1.136 297 S HN 0.050 nan 8.310 nan 0.000 0.484 298 E N -0.353 119.807 120.200 -0.068 0.000 2.312 298 E HA 0.598 4.947 4.350 -0.001 0.000 0.259 298 E C 0.028 176.570 176.600 -0.098 0.000 1.122 298 E CA -0.148 56.205 56.400 -0.078 0.000 0.922 298 E CB 1.027 30.690 29.700 -0.062 0.000 1.109 298 E HN 1.213 nan 8.360 nan 0.000 0.442 299 G N 1.494 110.228 108.800 -0.109 0.000 2.841 299 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.684 299 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.684 299 G C -0.614 174.171 174.900 -0.191 0.000 1.273 299 G CA -0.848 44.172 45.100 -0.133 0.000 0.811 299 G HN 0.507 nan 8.290 nan 0.000 0.631 300 D N 0.707 121.006 120.400 -0.169 0.000 2.338 300 D HA 0.155 4.795 4.640 -0.001 0.000 0.239 300 D C 2.093 178.170 176.300 -0.371 0.000 1.095 300 D CA 1.273 55.162 54.000 -0.185 0.000 0.888 300 D CB 0.360 41.114 40.800 -0.077 0.000 0.899 300 D HN 0.388 nan 8.370 nan 0.000 0.525 301 T N -0.729 113.544 114.554 -0.468 0.000 3.040 301 T HA 0.053 4.403 4.350 -0.001 0.000 0.252 301 T C 0.447 174.451 174.700 -1.160 0.000 1.064 301 T CA -0.119 61.574 62.100 -0.678 0.000 1.110 301 T CB 0.088 68.790 68.868 -0.276 0.000 0.921 301 T HN 0.051 nan 8.240 nan 0.000 0.480 302 N N 1.918 120.174 118.700 -0.741 0.000 2.439 302 N HA 0.360 5.099 4.740 -0.001 0.000 0.243 302 N C -1.245 173.958 175.510 -0.513 0.000 1.088 302 N CA -0.201 52.545 53.050 -0.507 0.000 0.940 302 N CB 0.103 38.441 38.487 -0.248 0.000 1.180 302 N HN 0.163 nan 8.380 nan 0.000 0.505 303 F N 0.184 120.120 119.950 -0.023 0.000 2.399 303 F HA 0.473 5.000 4.527 -0.001 0.000 0.334 303 F C 1.418 177.200 175.800 -0.030 0.000 1.097 303 F CA -1.273 56.712 58.000 -0.025 0.000 1.076 303 F CB 1.071 40.059 39.000 -0.019 0.000 1.162 303 F HN 0.292 nan 8.300 nan 0.000 0.495 304 G N 1.570 110.454 108.800 0.139 0.000 2.356 304 G HA2 0.291 4.250 3.960 -0.001 0.000 0.300 304 G HA3 0.291 4.250 3.960 -0.001 0.000 0.300 304 G C -1.149 173.779 174.900 0.045 0.000 1.107 304 G CA -0.416 44.712 45.100 0.046 0.000 0.960 304 G HN 0.703 nan 8.290 nan 0.000 0.418 305 D N 2.255 122.675 120.400 0.033 0.000 2.256 305 D HA 0.241 4.880 4.640 -0.001 0.000 0.250 305 D C 1.686 177.983 176.300 -0.005 0.000 1.093 305 D CA -0.671 53.343 54.000 0.024 0.000 0.882 305 D CB 0.912 41.732 40.800 0.032 0.000 1.185 305 D HN 0.239 nan 8.370 nan 0.000 0.437 306 I N 2.818 123.390 120.570 0.004 0.000 2.069 306 I HA -0.092 4.077 4.170 -0.001 0.000 0.237 306 I C 1.743 177.876 176.117 0.027 0.000 1.053 306 I CA 1.249 62.555 61.300 0.010 0.000 1.311 306 I CB -0.579 37.444 38.000 0.039 0.000 1.030 306 I HN 0.793 nan 8.210 nan 0.000 0.398 307 G N 0.471 109.294 108.800 0.038 0.000 2.141 307 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.164 307 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.164 307 G C -0.266 174.667 174.900 0.054 0.000 1.009 307 G CA -0.151 44.975 45.100 0.043 0.000 0.677 307 G HN 0.211 nan 8.290 nan 0.000 0.508 308 V N 0.237 120.185 119.914 0.057 0.000 2.841 308 V HA 0.514 4.633 4.120 -0.001 0.000 0.310 308 V C 0.222 176.349 176.094 0.055 0.000 1.090 308 V CA -1.088 61.246 62.300 0.057 0.000 0.930 308 V CB 1.955 33.818 31.823 0.066 0.000 1.014 308 V HN 0.388 nan 8.190 nan 0.000 0.425 309 Q N 1.854 121.683 119.800 0.048 0.000 2.340 309 Q HA 0.263 4.602 4.340 -0.001 0.000 0.249 309 Q C 0.746 176.784 176.000 0.064 0.000 0.957 309 Q CA -0.312 55.525 55.803 0.055 0.000 0.882 309 Q CB 1.248 30.010 28.738 0.040 0.000 1.235 309 Q HN 0.648 nan 8.270 nan 0.000 0.439 310 Q N 1.260 121.127 119.800 0.111 0.000 2.135 310 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 310 Q C 0.239 176.274 176.000 0.059 0.000 0.981 310 Q CA 1.796 57.701 55.803 0.169 0.000 0.856 310 Q CB -0.104 28.846 28.738 0.352 0.000 0.902 310 Q HN 0.719 nan 8.270 nan 0.000 0.425 311 D N -0.764 119.575 120.400 -0.102 0.000 2.690 311 D HA 0.090 4.729 4.640 -0.001 0.000 0.236 311 D C 0.224 176.442 176.300 -0.137 0.000 1.218 311 D CA -0.020 53.795 54.000 -0.308 0.000 0.829 311 D CB 0.195 40.651 40.800 -0.574 0.000 1.009 311 D HN -0.031 nan 8.370 nan 0.000 0.482 312 K N -0.133 120.234 120.400 -0.055 0.000 2.652 312 K HA 0.129 4.448 4.320 -0.001 0.000 0.169 312 K C -0.243 176.360 176.600 0.004 0.000 1.238 312 K CA -0.528 55.744 56.287 -0.025 0.000 1.147 312 K CB 0.919 33.410 32.500 -0.016 0.000 0.985 312 K HN 0.017 nan 8.250 nan 0.000 0.508 313 R N 1.527 122.037 120.500 0.016 0.000 2.410 313 R HA 0.336 4.675 4.340 -0.001 0.000 0.288 313 R C -0.033 176.284 176.300 0.029 0.000 1.051 313 R CA -0.502 55.619 56.100 0.036 0.000 1.021 313 R CB 1.085 31.420 30.300 0.058 0.000 1.032 313 R HN -0.043 nan 8.270 nan 0.000 0.481 314 R N 0.731 121.249 120.500 0.030 0.000 2.531 314 R HA 0.532 4.871 4.340 -0.001 0.000 0.273 314 R C 0.378 176.696 176.300 0.030 0.000 1.070 314 R CA -0.017 56.097 56.100 0.023 0.000 1.112 314 R CB 1.188 31.498 30.300 0.017 0.000 1.049 314 R HN 0.895 nan 8.270 nan 0.000 0.508 315 G N -0.097 108.717 108.800 0.024 0.000 2.293 315 G HA2 0.015 3.974 3.960 -0.001 0.000 0.282 315 G HA3 0.015 3.974 3.960 -0.001 0.000 0.282 315 G C -1.662 173.251 174.900 0.022 0.000 1.299 315 G CA -0.948 44.168 45.100 0.027 0.000 1.018 315 G HN 0.427 nan 8.290 nan 0.000 0.478 316 V N 0.330 120.257 119.914 0.022 0.000 2.604 316 V HA 0.859 4.978 4.120 -0.001 0.000 0.305 316 V C 0.209 176.311 176.094 0.014 0.000 1.043 316 V CA -0.196 62.113 62.300 0.014 0.000 0.888 316 V CB 1.687 33.517 31.823 0.010 0.000 0.995 316 V HN 1.086 nan 8.190 nan 0.000 0.429 317 T N 2.483 117.040 114.554 0.006 0.000 2.901 317 T HA 0.353 4.703 4.350 -0.001 0.000 0.293 317 T C -0.081 174.609 174.700 -0.018 0.000 1.084 317 T CA -0.448 61.651 62.100 -0.002 0.000 1.008 317 T CB 2.076 70.946 68.868 0.004 0.000 1.170 317 T HN 0.697 nan 8.240 nan 0.000 0.509 318 Q N 0.902 120.683 119.800 -0.031 0.000 2.237 318 Q HA 0.415 4.755 4.340 -0.001 0.000 0.252 318 Q C -0.737 175.227 176.000 -0.060 0.000 0.877 318 Q CA -0.015 55.764 55.803 -0.040 0.000 1.011 318 Q CB -0.160 28.554 28.738 -0.041 0.000 1.118 318 Q HN 0.535 nan 8.270 nan 0.000 0.458 319 M N -1.667 117.893 119.600 -0.066 0.000 2.530 319 M HA 0.481 4.961 4.480 -0.001 0.000 0.307 319 M C 0.455 176.720 176.300 -0.058 0.000 1.161 319 M CA -0.622 54.622 55.300 -0.094 0.000 0.903 319 M CB 2.180 34.679 32.600 -0.167 0.000 1.711 319 M HN 0.099 nan 8.290 nan 0.000 0.451 320 G N 0.298 109.067 108.800 -0.053 0.000 3.228 320 G HA2 0.136 4.095 3.960 -0.001 0.000 0.245 320 G HA3 0.136 4.095 3.960 -0.001 0.000 0.245 320 G C 0.537 175.428 174.900 -0.016 0.000 1.051 320 G CA -0.119 44.964 45.100 -0.027 0.000 0.809 320 G HN 0.708 nan 8.290 nan 0.000 0.531 321 N N 0.714 119.398 118.700 -0.027 0.000 2.322 321 N HA -0.017 4.723 4.740 -0.001 0.000 0.186 321 N C 1.364 176.903 175.510 0.050 0.000 1.037 321 N CA 1.209 54.265 53.050 0.010 0.000 0.869 321 N CB -0.049 38.439 38.487 0.002 0.000 1.036 321 N HN 0.360 nan 8.380 nan 0.000 0.439 322 T N -0.632 113.949 114.554 0.044 0.000 2.771 322 T HA 0.296 4.645 4.350 -0.001 0.000 0.290 322 T C 0.441 175.178 174.700 0.062 0.000 1.005 322 T CA -0.294 61.898 62.100 0.154 0.000 0.944 322 T CB 1.012 70.027 68.868 0.245 0.000 1.147 322 T HN 0.072 nan 8.240 nan 0.000 0.534 323 N N -2.220 116.493 118.700 0.021 0.000 2.082 323 N HA 0.199 4.938 4.740 -0.001 0.000 0.228 323 N C -1.304 174.149 175.510 -0.094 0.000 1.341 323 N CA -0.249 52.756 53.050 -0.074 0.000 0.873 323 N CB 0.453 38.848 38.487 -0.152 0.000 1.137 323 N HN 0.485 nan 8.380 nan 0.000 0.505 324 Y N 1.588 121.957 120.300 0.115 0.000 2.486 324 Y HA 0.329 4.878 4.550 -0.001 0.000 0.348 324 Y C 0.163 176.128 175.900 0.110 0.000 1.000 324 Y CA -0.338 57.843 58.100 0.133 0.000 1.253 324 Y CB 0.271 38.869 38.460 0.230 0.000 1.140 324 Y HN -0.058 nan 8.280 nan 0.000 0.526 325 I N 4.515 125.215 120.570 0.216 0.000 2.328 325 I HA 0.321 4.490 4.170 -0.001 0.000 0.287 325 I C -0.049 176.162 176.117 0.157 0.000 1.012 325 I CA -0.108 61.282 61.300 0.151 0.000 1.195 325 I CB 0.839 38.896 38.000 0.095 0.000 1.350 325 I HN 0.551 nan 8.210 nan 0.000 0.464 326 T N 3.535 118.181 114.554 0.152 0.000 2.888 326 T HA 0.235 4.585 4.350 -0.001 0.000 0.288 326 T C 0.924 175.686 174.700 0.102 0.000 1.063 326 T CA -0.619 61.561 62.100 0.134 0.000 1.010 326 T CB 2.156 71.116 68.868 0.154 0.000 1.214 326 T HN 0.420 nan 8.240 nan 0.000 0.533 327 E N 0.516 120.769 120.200 0.089 0.000 2.338 327 E HA -0.017 4.333 4.350 -0.001 0.000 0.197 327 E C 1.713 178.359 176.600 0.076 0.000 1.007 327 E CA 0.551 56.995 56.400 0.075 0.000 0.849 327 E CB -0.105 29.635 29.700 0.067 0.000 0.774 327 E HN 0.618 nan 8.360 nan 0.000 0.506 328 A N -0.022 122.857 122.820 0.098 0.000 2.063 328 A HA 0.059 4.379 4.320 -0.001 0.000 0.211 328 A C 2.212 179.849 177.584 0.088 0.000 1.177 328 A CA 0.671 52.770 52.037 0.104 0.000 0.759 328 A CB 0.095 19.197 19.000 0.171 0.000 0.857 328 A HN 0.107 nan 8.150 nan 0.000 0.468 329 T N 0.217 114.834 114.554 0.105 0.000 2.901 329 T HA 0.216 4.565 4.350 -0.001 0.000 0.252 329 T C 0.919 175.645 174.700 0.044 0.000 1.035 329 T CA 0.119 62.271 62.100 0.087 0.000 1.142 329 T CB -0.267 68.683 68.868 0.137 0.000 0.869 329 T HN 0.290 nan 8.240 nan 0.000 0.442 330 I N 2.341 122.942 120.570 0.051 0.000 2.993 330 I HA -0.046 4.123 4.170 -0.001 0.000 0.301 330 I C 0.657 176.778 176.117 0.007 0.000 1.229 330 I CA 0.210 61.529 61.300 0.032 0.000 1.435 330 I CB 0.271 38.295 38.000 0.039 0.000 1.328 330 I HN 0.312 nan 8.210 nan 0.000 0.584 331 M N 6.631 126.230 119.600 -0.002 0.000 2.184 331 M HA 0.181 4.661 4.480 -0.001 0.000 0.351 331 M C -0.595 175.686 176.300 -0.033 0.000 1.395 331 M CA -0.064 55.225 55.300 -0.019 0.000 1.117 331 M CB 0.117 32.707 32.600 -0.016 0.000 1.708 331 M HN 0.454 nan 8.290 nan 0.000 0.468 332 R N 5.216 125.684 120.500 -0.055 0.000 2.668 332 R HA 0.454 4.793 4.340 -0.001 0.000 0.279 332 R C -1.860 174.370 176.300 -0.117 0.000 0.976 332 R CA -1.900 54.139 56.100 -0.101 0.000 0.978 332 R CB -0.133 30.101 30.300 -0.110 0.000 1.133 332 R HN 0.513 nan 8.270 nan 0.000 0.484 333 P HA -0.086 nan 4.420 nan 0.000 0.216 333 P C -0.059 177.178 177.300 -0.104 0.000 1.150 333 P CA 1.417 64.434 63.100 -0.139 0.000 0.837 333 P CB 0.386 31.959 31.700 -0.210 0.000 0.786 334 A N -1.846 120.901 122.820 -0.123 0.000 3.201 334 A HA 0.584 4.903 4.320 -0.001 0.000 0.303 334 A C -1.500 176.044 177.584 -0.067 0.000 1.173 334 A CA -0.517 51.474 52.037 -0.078 0.000 0.621 334 A CB 0.563 19.526 19.000 -0.061 0.000 1.468 334 A HN -0.046 nan 8.150 nan 0.000 0.632 335 E N -0.209 119.968 120.200 -0.038 0.000 2.256 335 E HA 0.568 4.918 4.350 -0.001 0.000 0.268 335 E C -1.824 174.786 176.600 0.015 0.000 0.877 335 E CA -0.565 55.829 56.400 -0.010 0.000 0.757 335 E CB 2.108 31.815 29.700 0.011 0.000 1.183 335 E HN 0.437 nan 8.360 nan 0.000 0.418 336 V N 4.335 124.256 119.914 0.012 0.000 2.406 336 V HA 0.551 4.670 4.120 -0.001 0.000 0.272 336 V C 0.856 176.979 176.094 0.048 0.000 1.043 336 V CA 0.589 62.903 62.300 0.023 0.000 0.915 336 V CB 0.368 32.187 31.823 -0.006 0.000 0.988 336 V HN 0.996 nan 8.190 nan 0.000 0.466 337 G N 4.585 113.432 108.800 0.078 0.000 2.749 337 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.242 337 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.242 337 G C -0.865 174.139 174.900 0.173 0.000 1.364 337 G CA 0.499 45.640 45.100 0.069 0.000 0.888 337 G HN 1.684 nan 8.290 nan 0.000 0.566 338 Y N -2.971 117.376 120.300 0.078 0.000 2.669 338 Y HA 0.841 5.391 4.550 -0.001 0.000 0.335 338 Y C -0.041 175.894 175.900 0.058 0.000 1.116 338 Y CA -0.789 57.367 58.100 0.093 0.000 1.081 338 Y CB 1.073 39.619 38.460 0.145 0.000 1.297 338 Y HN 0.867 nan 8.280 nan 0.000 0.484 339 S N 0.945 116.824 115.700 0.299 0.000 2.707 339 S HA 0.855 5.324 4.470 -0.001 0.000 0.312 339 S C -0.753 174.019 174.600 0.286 0.000 1.116 339 S CA -0.462 57.870 58.200 0.220 0.000 1.078 339 S CB 0.954 64.323 63.200 0.282 0.000 0.997 339 S HN 0.995 nan 8.310 nan 0.000 0.477 340 A N 3.933 126.933 122.820 0.299 0.000 2.346 340 A HA 0.989 5.308 4.320 -0.001 0.000 0.313 340 A C -2.978 174.742 177.584 0.226 0.000 1.140 340 A CA -2.342 49.845 52.037 0.251 0.000 0.826 340 A CB 0.339 19.535 19.000 0.327 0.000 1.332 340 A HN 0.478 nan 8.150 nan 0.000 0.457 341 P HA 0.283 nan 4.420 nan 0.000 0.268 341 P C -1.393 176.003 177.300 0.160 0.000 1.204 341 P CA 0.630 63.809 63.100 0.132 0.000 0.768 341 P CB -0.067 31.669 31.700 0.060 0.000 0.842 342 Y N 0.656 120.978 120.300 0.037 0.000 2.341 342 Y HA 0.537 5.086 4.550 -0.001 0.000 0.338 342 Y C -0.361 175.615 175.900 0.127 0.000 0.965 342 Y CA -1.641 56.451 58.100 -0.014 0.000 1.108 342 Y CB 0.709 39.155 38.460 -0.023 0.000 1.180 342 Y HN 0.315 nan 8.280 nan 0.000 0.458 343 Y N 1.065 121.459 120.300 0.158 0.000 3.568 343 Y HA -0.229 4.321 4.550 -0.001 0.000 0.220 343 Y C 0.573 176.596 175.900 0.205 0.000 1.319 343 Y CA 0.772 58.989 58.100 0.195 0.000 1.629 343 Y CB -1.719 36.883 38.460 0.235 0.000 1.515 343 Y HN 0.819 nan 8.280 nan 0.000 0.613 344 S N 0.936 116.703 115.700 0.112 0.000 2.955 344 S HA 0.486 4.955 4.470 -0.001 0.000 0.294 344 S C -0.189 174.408 174.600 -0.005 0.000 1.198 344 S CA -0.518 57.725 58.200 0.071 0.000 1.008 344 S CB -0.499 62.705 63.200 0.007 0.000 1.279 344 S HN 0.233 nan 8.310 nan 0.000 0.508 345 F N 3.908 123.841 119.950 -0.029 0.000 2.464 345 F HA 0.301 4.827 4.527 -0.001 0.000 0.353 345 F C 1.216 176.896 175.800 -0.200 0.000 1.191 345 F CA -0.342 57.607 58.000 -0.085 0.000 1.147 345 F CB 0.279 39.265 39.000 -0.024 0.000 1.294 345 F HN 0.564 nan 8.300 nan 0.000 0.583 346 E N 1.756 121.775 120.200 -0.301 0.000 3.196 346 E HA 0.736 5.086 4.350 -0.001 0.000 0.268 346 E C -0.413 175.803 176.600 -0.641 0.000 1.430 346 E CA -0.576 55.548 56.400 -0.460 0.000 1.176 346 E CB 0.754 30.107 29.700 -0.579 0.000 1.228 346 E HN 0.546 nan 8.360 nan 0.000 0.730 347 A N -0.133 122.330 122.820 -0.596 0.000 2.581 347 A HA 0.482 4.801 4.320 -0.001 0.000 0.294 347 A C -0.870 176.693 177.584 -0.035 0.000 1.035 347 A CA -0.345 51.510 52.037 -0.304 0.000 0.684 347 A CB 1.595 20.540 19.000 -0.091 0.000 1.282 347 A HN 0.360 nan 8.150 nan 0.000 0.417 348 S N -1.444 114.341 115.700 0.142 0.000 3.642 348 S HA 0.645 5.114 4.470 -0.001 0.000 0.312 348 S C 1.415 176.041 174.600 0.042 0.000 1.117 348 S CA 0.807 59.074 58.200 0.112 0.000 1.104 348 S CB 0.361 63.665 63.200 0.174 0.000 1.397 348 S HN 1.651 nan 8.310 nan 0.000 0.756 349 T N 0.759 115.294 114.554 -0.031 0.000 3.007 349 T HA 0.022 4.372 4.350 -0.001 0.000 0.270 349 T C 1.150 175.750 174.700 -0.167 0.000 1.107 349 T CA 0.889 62.922 62.100 -0.111 0.000 1.118 349 T CB -0.170 68.601 68.868 -0.161 0.000 0.889 349 T HN 0.329 nan 8.240 nan 0.000 0.506 350 Q N 0.892 120.581 119.800 -0.185 0.000 2.373 350 Q HA 0.442 4.782 4.340 -0.001 0.000 0.210 350 Q C 1.255 177.364 176.000 0.181 0.000 0.913 350 Q CA 0.779 56.353 55.803 -0.381 0.000 0.911 350 Q CB 0.690 28.997 28.738 -0.720 0.000 1.040 350 Q HN 0.721 nan 8.270 nan 0.000 0.521 351 G N 1.073 110.005 108.800 0.220 0.000 2.351 351 G HA2 0.045 4.004 3.960 -0.001 0.000 0.353 351 G HA3 0.045 4.004 3.960 -0.001 0.000 0.353 351 G C -3.068 172.005 174.900 0.289 0.000 1.358 351 G CA -1.131 44.143 45.100 0.289 0.000 0.995 351 G HN -0.147 nan 8.290 nan 0.000 0.611 352 P HA 0.570 nan 4.420 nan 0.000 0.269 352 P C -0.629 176.830 177.300 0.265 0.000 1.215 352 P CA 0.146 63.315 63.100 0.115 0.000 0.780 352 P CB 0.156 31.942 31.700 0.143 0.000 0.898 353 F N -1.378 118.674 119.950 0.171 0.000 2.635 353 F HA 0.499 5.026 4.527 -0.001 0.000 0.314 353 F C -0.540 175.182 175.800 -0.130 0.000 1.119 353 F CA -1.538 56.503 58.000 0.069 0.000 1.000 353 F CB 0.857 39.879 39.000 0.036 0.000 1.278 353 F HN 0.038 nan 8.300 nan 0.000 0.446 354 K N 1.414 121.642 120.400 -0.286 0.000 2.397 354 K HA 0.196 4.516 4.320 -0.001 0.000 0.265 354 K C -0.586 175.913 176.600 -0.168 0.000 0.982 354 K CA 0.230 56.114 56.287 -0.672 0.000 0.931 354 K CB 0.923 32.971 32.500 -0.753 0.000 0.943 354 K HN 0.931 nan 8.250 nan 0.000 0.501 355 T N 5.580 120.010 114.554 -0.208 0.000 2.733 355 T HA 0.283 4.632 4.350 -0.001 0.000 0.294 355 T C -2.221 172.441 174.700 -0.063 0.000 0.956 355 T CA -1.334 60.732 62.100 -0.056 0.000 0.987 355 T CB 1.225 70.060 68.868 -0.056 0.000 0.920 355 T HN 0.442 nan 8.240 nan 0.000 0.470 356 P HA 0.329 nan 4.420 nan 0.000 0.271 356 P C -0.645 176.656 177.300 0.002 0.000 1.238 356 P CA -0.411 62.673 63.100 -0.027 0.000 0.794 356 P CB 0.636 32.324 31.700 -0.020 0.000 0.959 357 I N -0.613 119.964 120.570 0.011 0.000 2.743 357 I HA 0.326 4.495 4.170 -0.001 0.000 0.292 357 I C -0.948 175.188 176.117 0.032 0.000 1.343 357 I CA -0.682 60.654 61.300 0.061 0.000 1.038 357 I CB 2.053 40.042 38.000 -0.018 0.000 1.311 357 I HN 0.354 nan 8.210 nan 0.000 0.426 358 A N 5.181 128.041 122.820 0.067 0.000 2.938 358 A HA 0.846 5.166 4.320 -0.001 0.000 0.344 358 A C -0.297 177.249 177.584 -0.063 0.000 1.142 358 A CA -0.331 51.728 52.037 0.037 0.000 0.841 358 A CB 0.407 19.468 19.000 0.102 0.000 1.083 358 A HN 0.753 nan 8.150 nan 0.000 0.479 359 A N 0.575 123.332 122.820 -0.105 0.000 2.414 359 A HA 0.799 5.119 4.320 -0.001 0.000 0.306 359 A C 0.845 178.409 177.584 -0.033 0.000 1.054 359 A CA -0.011 51.944 52.037 -0.137 0.000 0.724 359 A CB 0.888 19.742 19.000 -0.242 0.000 1.267 359 A HN 1.194 nan 8.150 nan 0.000 0.418 360 G N 0.918 109.717 108.800 -0.002 0.000 2.611 360 G HA2 0.154 4.113 3.960 -0.001 0.000 0.147 360 G HA3 0.154 4.113 3.960 -0.001 0.000 0.147 360 G C 1.085 176.014 174.900 0.048 0.000 1.798 360 G CA 1.089 46.221 45.100 0.053 0.000 0.973 360 G HN 1.062 nan 8.290 nan 0.000 0.416 361 R N -1.213 119.324 120.500 0.062 0.000 1.792 361 R HA 0.492 4.832 4.340 -0.001 0.000 0.139 361 R C 0.723 177.055 176.300 0.053 0.000 2.091 361 R CA 0.789 56.925 56.100 0.059 0.000 1.697 361 R CB -0.514 29.833 30.300 0.078 0.000 1.340 361 R HN 1.666 nan 8.270 nan 0.000 0.481 362 G N 0.452 109.299 108.800 0.077 0.000 3.399 362 G HA2 0.335 4.294 3.960 -0.001 0.000 0.685 362 G HA3 0.335 4.294 3.960 -0.001 0.000 0.685 362 G C 0.246 175.212 174.900 0.109 0.000 0.952 362 G CA 0.006 45.157 45.100 0.086 0.000 0.793 362 G HN 1.312 nan 8.290 nan 0.000 0.492 363 G N 0.473 109.338 108.800 0.107 0.000 2.879 363 G HA2 0.500 4.460 3.960 -0.001 0.000 0.686 363 G HA3 0.500 4.460 3.960 -0.001 0.000 0.686 363 G C 0.526 175.479 174.900 0.089 0.000 1.115 363 G CA 0.708 45.874 45.100 0.111 0.000 0.770 363 G HN 2.652 nan 8.290 nan 0.000 0.601 364 A N 1.693 124.549 122.820 0.060 0.000 2.520 364 A HA 0.529 4.848 4.320 -0.001 0.000 0.245 364 A C 1.084 178.706 177.584 0.063 0.000 1.072 364 A CA 0.617 52.683 52.037 0.048 0.000 0.761 364 A CB 0.665 19.681 19.000 0.027 0.000 1.004 364 A HN 1.439 nan 8.150 nan 0.000 0.499 365 Q N 1.616 121.449 119.800 0.056 0.000 2.737 365 Q HA 0.081 4.420 4.340 -0.001 0.000 0.224 365 Q C 0.283 176.317 176.000 0.057 0.000 1.325 365 Q CA 1.442 57.280 55.803 0.059 0.000 0.868 365 Q CB -0.952 27.819 28.738 0.055 0.000 1.711 365 Q HN 0.764 nan 8.270 nan 0.000 0.540 366 T N 0.340 114.934 114.554 0.066 0.000 3.852 366 T HA 0.069 4.418 4.350 -0.001 0.000 0.302 366 T C -1.210 173.544 174.700 0.090 0.000 0.887 366 T CA -0.163 61.975 62.100 0.064 0.000 0.826 366 T CB 0.258 69.155 68.868 0.048 0.000 1.185 366 T HN 0.360 nan 8.240 nan 0.000 0.787 367 D N 1.548 122.019 120.400 0.117 0.000 2.351 367 D HA 0.326 4.965 4.640 -0.001 0.000 0.235 367 D C -0.004 176.415 176.300 0.197 0.000 1.331 367 D CA -0.232 53.894 54.000 0.210 0.000 0.959 367 D CB 1.058 42.012 40.800 0.257 0.000 1.432 367 D HN 0.290 nan 8.370 nan 0.000 0.544 368 E N 0.847 121.113 120.200 0.110 0.000 3.868 368 E HA 0.575 4.924 4.350 -0.001 0.000 0.331 368 E C 0.372 176.951 176.600 -0.035 0.000 0.699 368 E CA -0.514 55.917 56.400 0.052 0.000 1.672 368 E CB 0.540 30.265 29.700 0.040 0.000 2.271 368 E HN 0.043 nan 8.360 nan 0.000 0.482 369 N N -1.249 117.427 118.700 -0.041 0.000 3.298 369 N HA -0.135 4.604 4.740 -0.001 0.000 0.197 369 N C -0.555 174.937 175.510 -0.030 0.000 1.022 369 N CA 0.645 53.646 53.050 -0.082 0.000 1.258 369 N CB -1.250 37.100 38.487 -0.228 0.000 1.059 369 N HN 0.446 nan 8.380 nan 0.000 0.547 370 Q N -0.498 119.307 119.800 0.009 0.000 2.433 370 Q HA -0.304 4.036 4.340 -0.001 0.000 0.217 370 Q C 1.290 177.317 176.000 0.044 0.000 0.985 370 Q CA 1.831 57.655 55.803 0.034 0.000 0.979 370 Q CB -0.278 28.497 28.738 0.060 0.000 0.979 370 Q HN 0.580 nan 8.270 nan 0.000 0.524 371 A N -0.396 122.444 122.820 0.033 0.000 1.983 371 A HA 0.379 4.698 4.320 -0.001 0.000 0.207 371 A C 2.138 179.633 177.584 -0.149 0.000 1.412 371 A CA 0.567 52.624 52.037 0.032 0.000 0.750 371 A CB -0.726 18.536 19.000 0.436 0.000 1.047 371 A HN 0.331 nan 8.150 nan 0.000 0.504 372 A N 0.526 123.189 122.820 -0.261 0.000 1.903 372 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 372 A C 1.105 178.566 177.584 -0.205 0.000 1.191 372 A CA 2.235 54.048 52.037 -0.373 0.000 0.638 372 A CB -0.650 18.052 19.000 -0.496 0.000 0.823 372 A HN 0.404 nan 8.150 nan 0.000 0.451 373 D N -0.640 119.667 120.400 -0.155 0.000 2.491 373 D HA 0.361 5.001 4.640 -0.001 0.000 0.228 373 D C 0.852 177.106 176.300 -0.077 0.000 1.183 373 D CA 0.669 54.599 54.000 -0.117 0.000 0.827 373 D CB -0.595 40.160 40.800 -0.075 0.000 0.989 373 D HN 0.527 nan 8.370 nan 0.000 0.494 374 G N 1.716 110.461 108.800 -0.092 0.000 2.376 374 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.226 374 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.226 374 G C -0.130 174.762 174.900 -0.013 0.000 0.268 374 G CA 0.009 45.065 45.100 -0.073 0.000 1.066 374 G HN 0.261 nan 8.290 nan 0.000 0.474 375 N N 3.212 121.921 118.700 0.014 0.000 2.434 375 N HA 0.513 5.253 4.740 -0.001 0.000 0.272 375 N C -1.894 173.648 175.510 0.054 0.000 1.040 375 N CA -1.183 51.908 53.050 0.069 0.000 0.956 375 N CB 1.307 39.841 38.487 0.078 0.000 1.108 375 N HN 0.309 nan 8.380 nan 0.000 0.481 376 P HA 0.138 nan 4.420 nan 0.000 0.270 376 P C -0.650 176.611 177.300 -0.065 0.000 1.223 376 P CA -0.204 62.878 63.100 -0.029 0.000 0.785 376 P CB 0.613 32.346 31.700 0.054 0.000 0.923 377 R N 0.993 121.326 120.500 -0.278 0.000 2.575 377 R HA 0.511 4.850 4.340 -0.001 0.000 0.293 377 R C -1.887 174.094 176.300 -0.530 0.000 0.983 377 R CA -0.611 55.325 56.100 -0.274 0.000 0.887 377 R CB 0.509 30.711 30.300 -0.163 0.000 1.184 377 R HN 0.388 nan 8.270 nan 0.000 0.445 378 Y N 2.005 122.051 120.300 -0.423 0.000 2.361 378 Y HA 0.703 5.253 4.550 -0.001 0.000 0.337 378 Y C -0.342 175.357 175.900 -0.336 0.000 0.965 378 Y CA -0.717 57.144 58.100 -0.400 0.000 1.091 378 Y CB 2.653 40.688 38.460 -0.709 0.000 1.182 378 Y HN 0.768 nan 8.280 nan 0.000 0.450 379 A N 5.286 128.071 122.820 -0.059 0.000 2.310 379 A HA 0.802 5.122 4.320 -0.001 0.000 0.304 379 A C -1.229 176.319 177.584 -0.061 0.000 1.231 379 A CA -0.473 51.434 52.037 -0.216 0.000 0.799 379 A CB -0.148 18.751 19.000 -0.168 0.000 1.162 379 A HN 0.635 nan 8.150 nan 0.000 0.486 380 F N 0.500 120.420 119.950 -0.050 0.000 2.740 380 F HA 0.974 5.501 4.527 -0.001 0.000 0.357 380 F C 0.372 176.160 175.800 -0.019 0.000 1.141 380 F CA -1.399 56.566 58.000 -0.058 0.000 1.044 380 F CB 1.308 40.269 39.000 -0.066 0.000 1.430 380 F HN 0.751 nan 8.300 nan 0.000 0.518 381 G N 0.193 109.133 108.800 0.234 0.000 2.505 381 G HA2 0.494 4.453 3.960 -0.001 0.000 0.292 381 G HA3 0.494 4.453 3.960 -0.001 0.000 0.292 381 G C -0.474 174.523 174.900 0.162 0.000 1.332 381 G CA -0.352 44.823 45.100 0.126 0.000 1.286 381 G HN 0.851 nan 8.290 nan 0.000 0.606 382 R N 0.044 120.632 120.500 0.146 0.000 3.154 382 R HA -0.283 4.056 4.340 -0.001 0.000 0.235 382 R C 1.609 177.969 176.300 0.099 0.000 0.808 382 R CA 3.008 59.167 56.100 0.098 0.000 1.801 382 R CB -1.280 29.050 30.300 0.050 0.000 1.411 382 R HN 0.602 nan 8.270 nan 0.000 0.589 383 Q N -0.745 119.098 119.800 0.071 0.000 2.282 383 Q HA 0.086 4.425 4.340 -0.001 0.000 0.206 383 Q C -0.475 175.096 176.000 -0.715 0.000 0.878 383 Q CA 0.246 55.944 55.803 -0.175 0.000 0.944 383 Q CB 0.586 29.192 28.738 -0.219 0.000 1.100 383 Q HN 0.614 nan 8.270 nan 0.000 0.509 384 H N -1.286 117.595 119.070 -0.314 0.000 3.083 384 H HA 0.331 4.886 4.556 -0.001 0.000 0.217 384 H C 0.134 174.931 175.328 -0.886 0.000 1.397 384 H CA 0.172 55.597 56.048 -1.037 0.000 1.248 384 H CB 0.761 30.030 29.762 -0.821 0.000 2.199 384 H HN 0.337 nan 8.280 nan 0.000 0.521 385 G N 1.277 109.854 108.800 -0.373 0.000 2.337 385 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.197 385 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.197 385 G C -0.722 174.349 174.900 0.286 0.000 1.238 385 G CA -0.366 44.682 45.100 -0.087 0.000 1.119 385 G HN 0.506 nan 8.290 nan 0.000 0.514 386 Q N -0.743 119.319 119.800 0.436 0.000 3.245 386 Q HA -0.179 4.160 4.340 -0.001 0.000 0.025 386 Q C -0.137 175.957 176.000 0.156 0.000 1.716 386 Q CA 1.211 57.184 55.803 0.284 0.000 0.237 386 Q CB 0.028 28.901 28.738 0.226 0.000 0.587 386 Q HN 0.801 nan 8.270 nan 0.000 0.322 387 K N 2.481 122.939 120.400 0.097 0.000 2.419 387 K HA -0.007 4.312 4.320 -0.001 0.000 0.282 387 K C 0.792 177.401 176.600 0.014 0.000 1.056 387 K CA 0.857 57.170 56.287 0.043 0.000 1.035 387 K CB 0.443 32.963 32.500 0.034 0.000 0.921 387 K HN 0.642 nan 8.250 nan 0.000 0.472 388 T N 1.272 115.807 114.554 -0.031 0.000 2.737 388 T HA -0.149 4.200 4.350 -0.001 0.000 0.269 388 T C 1.212 175.896 174.700 -0.027 0.000 1.040 388 T CA 2.020 64.087 62.100 -0.055 0.000 1.142 388 T CB -0.123 68.670 68.868 -0.125 0.000 0.861 388 T HN 0.741 nan 8.240 nan 0.000 0.456 389 T N 1.199 115.741 114.554 -0.020 0.000 3.467 389 T HA 0.335 4.684 4.350 -0.001 0.000 0.232 389 T C 0.208 174.903 174.700 -0.007 0.000 0.876 389 T CA -0.512 61.580 62.100 -0.013 0.000 0.939 389 T CB -0.378 68.483 68.868 -0.013 0.000 1.165 389 T HN 0.058 nan 8.240 nan 0.000 0.615 390 T N 1.396 115.948 114.554 -0.004 0.000 2.922 390 T HA 0.712 5.062 4.350 -0.001 0.000 0.281 390 T C -0.136 174.561 174.700 -0.005 0.000 1.005 390 T CA -0.565 61.534 62.100 -0.001 0.000 0.982 390 T CB 1.837 70.708 68.868 0.006 0.000 1.158 390 T HN 0.364 nan 8.240 nan 0.000 0.566 391 T N -0.315 114.235 114.554 -0.007 0.000 2.868 391 T HA 0.693 5.042 4.350 -0.001 0.000 0.306 391 T C -0.146 174.547 174.700 -0.012 0.000 1.224 391 T CA 0.147 62.241 62.100 -0.010 0.000 1.012 391 T CB 1.521 70.383 68.868 -0.010 0.000 1.221 391 T HN 1.235 nan 8.240 nan 0.000 0.499 392 G N 1.435 110.227 108.800 -0.013 0.000 2.757 392 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.638 392 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.638 392 G C -0.952 173.937 174.900 -0.018 0.000 1.344 392 G CA -0.466 44.625 45.100 -0.016 0.000 0.855 392 G HN 0.821 nan 8.290 nan 0.000 0.537 393 E N -0.070 120.117 120.200 -0.022 0.000 3.170 393 E HA 0.493 4.843 4.350 -0.001 0.000 0.212 393 E C -0.591 175.989 176.600 -0.034 0.000 1.143 393 E CA -0.359 56.026 56.400 -0.026 0.000 1.139 393 E CB 0.900 30.586 29.700 -0.024 0.000 1.346 393 E HN 0.464 nan 8.360 nan 0.000 0.432 394 T N 2.018 116.548 114.554 -0.040 0.000 2.930 394 T HA 0.295 4.644 4.350 -0.001 0.000 0.313 394 T C -2.245 172.408 174.700 -0.079 0.000 1.019 394 T CA -1.537 60.531 62.100 -0.053 0.000 1.004 394 T CB 1.062 69.904 68.868 -0.043 0.000 0.987 394 T HN 0.121 nan 8.240 nan 0.000 0.456 395 P HA 0.318 nan 4.420 nan 0.000 0.271 395 P C -0.347 176.810 177.300 -0.239 0.000 1.244 395 P CA -0.410 62.575 63.100 -0.193 0.000 0.793 395 P CB 0.830 32.402 31.700 -0.213 0.000 0.984 396 E N 0.190 120.137 120.200 -0.423 0.000 2.266 396 E HA 0.512 4.861 4.350 -0.001 0.000 0.268 396 E C -0.626 175.548 176.600 -0.710 0.000 0.879 396 E CA -0.872 55.282 56.400 -0.411 0.000 0.762 396 E CB 1.176 30.718 29.700 -0.263 0.000 1.199 396 E HN 0.397 nan 8.360 nan 0.000 0.422 397 R N 2.025 122.330 120.500 -0.326 0.000 2.766 397 R HA 0.549 4.888 4.340 -0.001 0.000 0.270 397 R C -1.344 175.000 176.300 0.073 0.000 1.035 397 R CA -0.874 55.073 56.100 -0.256 0.000 0.911 397 R CB 0.750 30.887 30.300 -0.273 0.000 1.243 397 R HN 0.485 nan 8.270 nan 0.000 0.460 398 F N -2.262 117.700 119.950 0.021 0.000 2.608 398 F HA 0.524 5.050 4.527 -0.001 0.000 0.309 398 F C -0.984 174.770 175.800 -0.077 0.000 1.103 398 F CA -1.021 56.910 58.000 -0.115 0.000 0.954 398 F CB 2.219 40.930 39.000 -0.482 0.000 1.267 398 F HN 0.330 nan 8.300 nan 0.000 0.444 399 T N 2.874 117.475 114.554 0.078 0.000 3.005 399 T HA 0.133 4.482 4.350 -0.001 0.000 0.323 399 T C -0.859 173.933 174.700 0.154 0.000 1.131 399 T CA -0.138 62.016 62.100 0.090 0.000 0.977 399 T CB -0.793 68.115 68.868 0.067 0.000 1.055 399 T HN 0.572 nan 8.240 nan 0.000 0.562 400 Y N 4.268 124.660 120.300 0.153 0.000 2.729 400 Y HA 0.187 4.737 4.550 -0.001 0.000 0.331 400 Y C 0.022 176.021 175.900 0.164 0.000 1.208 400 Y CA -0.215 58.004 58.100 0.197 0.000 1.521 400 Y CB 0.041 38.696 38.460 0.325 0.000 1.233 400 Y HN 0.516 nan 8.280 nan 0.000 0.539 401 I N 7.659 128.070 120.570 -0.267 0.000 2.437 401 I HA 0.363 4.533 4.170 -0.001 0.000 0.279 401 I C 0.518 176.433 176.117 -0.336 0.000 1.028 401 I CA -0.730 60.478 61.300 -0.154 0.000 1.142 401 I CB 0.683 38.662 38.000 -0.034 0.000 1.266 401 I HN 0.811 nan 8.210 nan 0.000 0.461 402 A N 4.810 127.537 122.820 -0.155 0.000 2.264 402 A HA 0.008 4.327 4.320 -0.001 0.000 0.291 402 A C 0.791 178.372 177.584 -0.005 0.000 1.253 402 A CA 0.936 52.932 52.037 -0.068 0.000 0.865 402 A CB 0.057 19.143 19.000 0.144 0.000 1.129 402 A HN 0.765 nan 8.150 nan 0.000 0.513 403 H N -1.294 117.729 119.070 -0.078 0.000 2.594 403 H HA 0.132 4.687 4.556 -0.001 0.000 0.274 403 H C 0.838 176.141 175.328 -0.042 0.000 0.982 403 H CA 0.742 56.651 56.048 -0.233 0.000 1.228 403 H CB -0.262 29.087 29.762 -0.688 0.000 1.447 403 H HN 0.775 nan 8.280 nan 0.000 0.485 404 Q N 1.932 121.875 119.800 0.239 0.000 2.349 404 Q HA 0.042 4.382 4.340 -0.001 0.000 0.287 404 Q C -0.873 175.247 176.000 0.199 0.000 1.044 404 Q CA 0.513 56.490 55.803 0.289 0.000 0.918 404 Q CB 0.696 29.565 28.738 0.217 0.000 1.242 404 Q HN 0.124 nan 8.270 nan 0.000 0.405 405 D N 3.471 123.990 120.400 0.198 0.000 2.432 405 D HA 0.107 4.747 4.640 -0.001 0.000 0.265 405 D C 0.061 176.418 176.300 0.095 0.000 1.160 405 D CA -0.024 54.064 54.000 0.147 0.000 0.911 405 D CB 1.394 42.307 40.800 0.189 0.000 1.052 405 D HN 0.828 nan 8.370 nan 0.000 0.508 406 T N -2.467 112.123 114.554 0.060 0.000 2.959 406 T HA 0.206 4.555 4.350 -0.001 0.000 0.254 406 T C 1.166 175.859 174.700 -0.013 0.000 1.003 406 T CA -0.267 61.845 62.100 0.021 0.000 0.950 406 T CB 0.777 69.651 68.868 0.010 0.000 1.090 406 T HN 0.188 nan 8.240 nan 0.000 0.503 407 G N 1.678 110.476 108.800 -0.004 0.000 2.712 407 G HA2 0.516 4.476 3.960 -0.001 0.000 0.258 407 G HA3 0.516 4.476 3.960 -0.001 0.000 0.258 407 G C -0.459 174.440 174.900 -0.003 0.000 1.241 407 G CA -0.613 44.469 45.100 -0.030 0.000 0.923 407 G HN 0.364 nan 8.290 nan 0.000 0.548 408 R N -1.719 118.773 120.500 -0.013 0.000 2.774 408 R HA 0.199 4.538 4.340 -0.001 0.000 0.272 408 R C -1.808 174.522 176.300 0.050 0.000 1.000 408 R CA -0.878 55.240 56.100 0.029 0.000 0.906 408 R CB 1.630 31.931 30.300 0.002 0.000 1.227 408 R HN 0.592 nan 8.270 nan 0.000 0.468 409 Y N 3.407 123.695 120.300 -0.020 0.000 2.958 409 Y HA 0.289 4.839 4.550 -0.001 0.000 0.336 409 Y C -1.502 174.391 175.900 -0.013 0.000 1.160 409 Y CA -2.235 55.856 58.100 -0.016 0.000 1.292 409 Y CB 0.828 39.299 38.460 0.019 0.000 1.306 409 Y HN 0.343 nan 8.280 nan 0.000 0.547 410 P HA -0.127 nan 4.420 nan 0.000 0.240 410 P C -0.188 177.067 177.300 -0.076 0.000 1.186 410 P CA 1.157 64.194 63.100 -0.105 0.000 0.755 410 P CB 0.105 31.691 31.700 -0.190 0.000 0.870 411 E N -0.653 119.463 120.200 -0.139 0.000 2.496 411 E HA 0.348 4.698 4.350 -0.001 0.000 0.200 411 E C 0.836 177.653 176.600 0.360 0.000 1.016 411 E CA -0.215 56.174 56.400 -0.017 0.000 0.962 411 E CB 0.285 29.770 29.700 -0.358 0.000 1.071 411 E HN 0.124 nan 8.360 nan 0.000 0.457 412 G N 1.299 110.340 108.800 0.401 0.000 4.973 412 G HA2 0.155 4.115 3.960 -0.001 0.000 0.211 412 G HA3 0.155 4.115 3.960 -0.001 0.000 0.211 412 G C -1.009 174.150 174.900 0.432 0.000 0.784 412 G CA -0.531 44.814 45.100 0.409 0.000 0.657 412 G HN 0.004 nan 8.290 nan 0.000 0.480 413 D N -0.225 120.430 120.400 0.425 0.000 2.727 413 D HA 0.832 5.472 4.640 -0.001 0.000 0.264 413 D C -0.614 176.099 176.300 0.689 0.000 1.101 413 D CA -0.381 53.835 54.000 0.361 0.000 1.122 413 D CB 1.404 42.273 40.800 0.114 0.000 1.390 413 D HN 0.498 nan 8.370 nan 0.000 0.606 414 W N -1.138 120.250 121.300 0.147 0.000 3.544 414 W HA 0.413 5.072 4.660 -0.001 0.000 0.295 414 W C -2.686 173.829 176.519 -0.007 0.000 1.154 414 W CA -0.801 56.577 57.345 0.055 0.000 1.122 414 W CB -0.110 29.366 29.460 0.027 0.000 1.338 414 W HN 0.230 nan 8.180 nan 0.000 0.569 415 I N 3.904 124.468 120.570 -0.012 0.000 2.382 415 I HA 0.340 4.510 4.170 -0.001 0.000 0.286 415 I C 0.033 176.191 176.117 0.068 0.000 1.002 415 I CA -0.947 60.316 61.300 -0.061 0.000 1.135 415 I CB 1.553 39.400 38.000 -0.256 0.000 1.288 415 I HN 0.575 nan 8.210 nan 0.000 0.448 416 Q N 4.671 124.570 119.800 0.164 0.000 2.495 416 Q HA 0.486 4.826 4.340 -0.001 0.000 0.283 416 Q C -0.855 175.230 176.000 0.141 0.000 1.097 416 Q CA -1.052 54.859 55.803 0.180 0.000 0.836 416 Q CB 1.658 30.571 28.738 0.291 0.000 1.426 416 Q HN 0.474 nan 8.270 nan 0.000 0.459 417 N N 0.086 118.864 118.700 0.129 0.000 2.453 417 N HA 0.061 4.801 4.740 -0.001 0.000 0.253 417 N C 0.894 176.490 175.510 0.142 0.000 1.252 417 N CA 0.043 53.158 53.050 0.109 0.000 0.917 417 N CB 0.622 39.162 38.487 0.087 0.000 1.117 417 N HN 0.621 nan 8.380 nan 0.000 0.442 418 I N 1.335 121.963 120.570 0.097 0.000 2.567 418 I HA -0.238 3.932 4.170 -0.001 0.000 0.257 418 I C 1.521 177.701 176.117 0.105 0.000 1.184 418 I CA 0.754 62.100 61.300 0.077 0.000 1.451 418 I CB -0.312 37.717 38.000 0.048 0.000 1.089 418 I HN 0.493 nan 8.210 nan 0.000 0.441 419 N N 0.377 119.157 118.700 0.132 0.000 2.457 419 N HA -0.109 4.630 4.740 -0.001 0.000 0.180 419 N C 1.200 176.875 175.510 0.274 0.000 1.050 419 N CA 0.591 53.732 53.050 0.152 0.000 0.906 419 N CB 0.144 38.696 38.487 0.109 0.000 0.968 419 N HN 0.193 nan 8.380 nan 0.000 0.445 420 F N 1.071 121.056 119.950 0.058 0.000 2.557 420 F HA -0.429 4.098 4.527 -0.001 0.000 0.706 420 F C 0.464 176.293 175.800 0.047 0.000 0.486 420 F CA 1.361 59.400 58.000 0.064 0.000 0.712 420 F CB -1.369 37.682 39.000 0.086 0.000 1.599 420 F HN 0.154 nan 8.300 nan 0.000 0.268 421 N N 2.068 120.876 118.700 0.181 0.000 2.805 421 N HA -0.214 4.525 4.740 -0.001 0.000 0.280 421 N C 0.015 175.468 175.510 -0.094 0.000 0.982 421 N CA 0.961 54.040 53.050 0.048 0.000 0.846 421 N CB -1.198 37.328 38.487 0.065 0.000 0.932 421 N HN 0.620 nan 8.380 nan 0.000 0.583 422 L N -0.971 120.079 121.223 -0.288 0.000 2.479 422 L HA 0.655 4.994 4.340 -0.001 0.000 0.249 422 L C -1.615 175.122 176.870 -0.222 0.000 1.178 422 L CA -1.435 53.210 54.840 -0.325 0.000 0.811 422 L CB -0.434 41.289 42.059 -0.560 0.000 1.187 422 L HN -0.084 nan 8.230 nan 0.000 0.480 423 P HA 0.057 nan 4.420 nan 0.000 0.262 423 P C -0.170 177.020 177.300 -0.184 0.000 1.199 423 P CA -0.138 62.835 63.100 -0.211 0.000 0.763 423 P CB 0.616 32.222 31.700 -0.157 0.000 0.790 424 V N 4.137 123.918 119.914 -0.221 0.000 2.928 424 V HA -0.003 4.116 4.120 -0.001 0.000 0.307 424 V C 0.338 176.363 176.094 -0.114 0.000 1.105 424 V CA 0.875 63.082 62.300 -0.155 0.000 1.223 424 V CB 0.425 32.156 31.823 -0.154 0.000 0.930 424 V HN 0.713 nan 8.190 nan 0.000 0.499 425 T N 6.001 120.512 114.554 -0.072 0.000 2.925 425 T HA 0.246 4.595 4.350 -0.001 0.000 0.285 425 T C 0.891 175.565 174.700 -0.043 0.000 1.021 425 T CA 0.232 62.299 62.100 -0.055 0.000 1.042 425 T CB 1.451 70.297 68.868 -0.037 0.000 1.037 425 T HN 0.890 nan 8.240 nan 0.000 0.481 426 N N 1.997 120.672 118.700 -0.042 0.000 2.053 426 N HA -0.212 4.528 4.740 -0.001 0.000 0.200 426 N C 1.258 176.755 175.510 -0.022 0.000 1.041 426 N CA 2.193 55.223 53.050 -0.033 0.000 0.882 426 N CB -0.187 38.283 38.487 -0.028 0.000 1.080 426 N HN 0.634 nan 8.380 nan 0.000 0.481 427 D N -0.914 119.477 120.400 -0.016 0.000 2.397 427 D HA -0.143 4.496 4.640 -0.001 0.000 0.219 427 D C 0.303 176.602 176.300 -0.002 0.000 0.975 427 D CA 0.888 54.883 54.000 -0.008 0.000 0.940 427 D CB -0.469 40.328 40.800 -0.005 0.000 0.884 427 D HN 0.483 nan 8.370 nan 0.000 0.505 428 N N -0.754 117.945 118.700 -0.003 0.000 2.200 428 N HA 0.102 4.841 4.740 -0.001 0.000 0.224 428 N C -1.192 174.333 175.510 0.026 0.000 1.179 428 N CA -0.044 53.014 53.050 0.014 0.000 0.877 428 N CB 1.590 40.085 38.487 0.014 0.000 1.072 428 N HN -0.180 nan 8.380 nan 0.000 0.519 429 V N 1.371 121.289 119.914 0.007 0.000 2.789 429 V HA 0.246 4.365 4.120 -0.001 0.000 0.300 429 V C -1.516 174.562 176.094 -0.027 0.000 1.184 429 V CA -0.814 61.497 62.300 0.019 0.000 0.930 429 V CB 2.276 34.105 31.823 0.010 0.000 1.041 429 V HN -0.099 nan 8.190 nan 0.000 0.430 430 L N 6.098 127.271 121.223 -0.083 0.000 2.264 430 L HA 0.717 5.057 4.340 -0.001 0.000 0.287 430 L C -0.705 176.025 176.870 -0.233 0.000 1.039 430 L CA 0.300 55.028 54.840 -0.187 0.000 0.829 430 L CB 0.757 42.623 42.059 -0.321 0.000 1.211 430 L HN 0.527 nan 8.230 nan 0.000 0.427 431 L N 7.009 128.211 121.223 -0.034 0.000 2.397 431 L HA 0.651 4.990 4.340 -0.001 0.000 0.266 431 L C -1.317 175.715 176.870 0.269 0.000 1.040 431 L CA -1.507 53.413 54.840 0.133 0.000 0.800 431 L CB 0.017 42.131 42.059 0.092 0.000 1.324 431 L HN 0.336 nan 8.230 nan 0.000 0.469 432 P HA -0.072 nan 4.420 nan 0.000 0.217 432 P C 1.305 178.696 177.300 0.153 0.000 1.150 432 P CA 1.305 64.547 63.100 0.236 0.000 0.832 432 P CB 0.046 31.842 31.700 0.160 0.000 0.787 433 T N -0.202 114.421 114.554 0.115 0.000 2.833 433 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 433 T C 0.579 175.318 174.700 0.065 0.000 1.054 433 T CA 0.994 63.138 62.100 0.073 0.000 1.135 433 T CB -0.860 68.038 68.868 0.051 0.000 0.869 433 T HN 0.164 nan 8.240 nan 0.000 0.466 434 D N 3.051 123.495 120.400 0.073 0.000 2.382 434 D HA 0.142 4.781 4.640 -0.001 0.000 0.259 434 D C -2.283 174.056 176.300 0.066 0.000 1.224 434 D CA -1.101 52.930 54.000 0.052 0.000 0.894 434 D CB 0.999 41.818 40.800 0.032 0.000 1.127 434 D HN 0.221 nan 8.370 nan 0.000 0.487 435 P HA 0.145 nan 4.420 nan 0.000 0.270 435 P C -0.210 177.118 177.300 0.047 0.000 1.223 435 P CA -0.266 62.859 63.100 0.041 0.000 0.785 435 P CB 0.990 32.702 31.700 0.020 0.000 0.923 436 I N 0.686 121.285 120.570 0.048 0.000 2.497 436 I HA 0.344 4.513 4.170 -0.001 0.000 0.284 436 I C 1.038 177.176 176.117 0.035 0.000 1.060 436 I CA -0.151 61.181 61.300 0.053 0.000 1.071 436 I CB 0.542 38.597 38.000 0.092 0.000 1.216 436 I HN 0.756 nan 8.210 nan 0.000 0.442 437 G N 4.146 112.962 108.800 0.027 0.000 2.179 437 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.220 437 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.220 437 G C 0.927 175.830 174.900 0.006 0.000 0.990 437 G CA 0.179 45.289 45.100 0.017 0.000 0.646 437 G HN 1.596 nan 8.290 nan 0.000 0.517 438 G N -0.567 108.236 108.800 0.005 0.000 2.299 438 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.237 438 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.237 438 G C 0.467 175.359 174.900 -0.013 0.000 1.027 438 G CA 1.038 46.137 45.100 -0.003 0.000 0.619 438 G HN 0.978 nan 8.290 nan 0.000 0.513 439 K N 1.016 121.405 120.400 -0.019 0.000 2.237 439 K HA 0.494 4.814 4.320 -0.001 0.000 0.270 439 K C 1.468 178.056 176.600 -0.020 0.000 1.015 439 K CA 0.247 56.514 56.287 -0.033 0.000 0.949 439 K CB 0.806 33.278 32.500 -0.047 0.000 0.976 439 K HN 0.161 nan 8.250 nan 0.000 0.472 440 T N 1.346 115.886 114.554 -0.025 0.000 2.571 440 T HA -0.124 4.226 4.350 -0.001 0.000 0.255 440 T C 1.880 176.575 174.700 -0.008 0.000 1.100 440 T CA 1.524 63.616 62.100 -0.013 0.000 1.199 440 T CB -0.636 68.222 68.868 -0.018 0.000 0.870 440 T HN 0.894 nan 8.240 nan 0.000 0.399 441 G N 2.246 111.035 108.800 -0.018 0.000 2.626 441 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.224 441 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.224 441 G C 0.648 175.537 174.900 -0.017 0.000 1.095 441 G CA 0.701 45.790 45.100 -0.017 0.000 0.738 441 G HN 0.369 nan 8.290 nan 0.000 0.600 442 I N 0.144 120.703 120.570 -0.018 0.000 2.764 442 I HA 0.331 4.501 4.170 -0.001 0.000 0.294 442 I C 0.159 176.281 176.117 0.008 0.000 1.045 442 I CA -0.661 60.625 61.300 -0.022 0.000 1.340 442 I CB 1.012 39.004 38.000 -0.014 0.000 1.436 442 I HN 0.005 nan 8.210 nan 0.000 0.567 443 N N 0.700 119.400 118.700 -0.001 0.000 2.831 443 N HA 0.308 5.048 4.740 -0.001 0.000 0.276 443 N C 0.128 175.693 175.510 0.092 0.000 1.416 443 N CA -0.541 52.542 53.050 0.056 0.000 0.799 443 N CB 1.262 39.744 38.487 -0.009 0.000 1.554 443 N HN 0.506 nan 8.380 nan 0.000 0.541 444 Y N -1.767 118.537 120.300 0.007 0.000 2.510 444 Y HA 0.202 4.751 4.550 -0.001 0.000 0.273 444 Y C 1.789 177.721 175.900 0.053 0.000 1.119 444 Y CA 0.930 59.048 58.100 0.030 0.000 1.286 444 Y CB -0.885 37.572 38.460 -0.004 0.000 1.061 444 Y HN 0.530 nan 8.280 nan 0.000 0.542 445 T N -1.553 112.556 114.554 -0.742 0.000 2.821 445 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 445 T C 1.372 176.068 174.700 -0.008 0.000 1.046 445 T CA 1.740 63.556 62.100 -0.474 0.000 1.139 445 T CB -0.736 68.001 68.868 -0.218 0.000 0.871 445 T HN 0.394 nan 8.240 nan 0.000 0.454 446 N N 0.888 119.474 118.700 -0.190 0.000 2.309 446 N HA 0.090 4.830 4.740 -0.001 0.000 0.182 446 N C 1.172 176.592 175.510 -0.151 0.000 1.018 446 N CA 0.799 53.567 53.050 -0.469 0.000 0.876 446 N CB -0.081 38.173 38.487 -0.388 0.000 0.972 446 N HN 0.350 nan 8.380 nan 0.000 0.434 447 I N -0.773 119.801 120.570 0.006 0.000 4.082 447 I HA 0.150 4.319 4.170 -0.001 0.000 0.337 447 I C -0.140 176.093 176.117 0.195 0.000 1.352 447 I CA -0.231 61.123 61.300 0.089 0.000 1.097 447 I CB -0.863 37.201 38.000 0.107 0.000 1.048 447 I HN -0.010 nan 8.210 nan 0.000 0.393 448 F N 3.205 123.163 119.950 0.014 0.000 2.443 448 F HA 0.307 4.834 4.527 -0.001 0.000 0.353 448 F C 0.773 176.622 175.800 0.081 0.000 1.101 448 F CA -0.306 57.723 58.000 0.048 0.000 1.226 448 F CB 0.459 39.431 39.000 -0.047 0.000 1.140 448 F HN -0.001 nan 8.300 nan 0.000 0.557 449 N N 3.504 122.007 118.700 -0.330 0.000 2.640 449 N HA 0.070 4.809 4.740 -0.001 0.000 0.262 449 N C -1.474 173.821 175.510 -0.359 0.000 1.174 449 N CA -0.200 52.719 53.050 -0.217 0.000 0.791 449 N CB 1.057 39.493 38.487 -0.086 0.000 1.279 449 N HN 0.661 nan 8.380 nan 0.000 0.535 450 T N 0.935 115.290 114.554 -0.332 0.000 3.145 450 T HA 0.256 4.605 4.350 -0.001 0.000 0.348 450 T C -0.811 173.945 174.700 0.094 0.000 1.299 450 T CA -0.470 61.510 62.100 -0.200 0.000 1.037 450 T CB -0.303 68.454 68.868 -0.186 0.000 1.122 450 T HN 0.366 nan 8.240 nan 0.000 0.600 451 Y N 2.263 122.499 120.300 -0.105 0.000 2.349 451 Y HA 0.639 5.188 4.550 -0.001 0.000 0.324 451 Y C -0.124 175.722 175.900 -0.089 0.000 1.005 451 Y CA -1.166 56.877 58.100 -0.094 0.000 1.240 451 Y CB 1.126 39.440 38.460 -0.243 0.000 1.117 451 Y HN 0.812 nan 8.280 nan 0.000 0.463 452 G N 4.699 113.275 108.800 -0.374 0.000 2.511 452 G HA2 0.465 4.425 3.960 -0.001 0.000 0.318 452 G HA3 0.465 4.425 3.960 -0.001 0.000 0.318 452 G C -2.357 172.260 174.900 -0.470 0.000 1.210 452 G CA -2.192 42.693 45.100 -0.359 0.000 0.969 452 G HN 0.372 nan 8.290 nan 0.000 0.484 453 P HA 0.021 nan 4.420 nan 0.000 0.242 453 P C 0.905 178.105 177.300 -0.167 0.000 1.198 453 P CA 0.609 63.557 63.100 -0.253 0.000 0.756 453 P CB 0.083 31.686 31.700 -0.161 0.000 0.911 454 L N -2.508 118.620 121.223 -0.158 0.000 2.766 454 L HA 0.146 4.485 4.340 -0.001 0.000 0.242 454 L C 0.438 177.281 176.870 -0.046 0.000 1.136 454 L CA 0.108 54.898 54.840 -0.084 0.000 0.933 454 L CB -0.135 41.883 42.059 -0.070 0.000 1.241 454 L HN -0.213 nan 8.230 nan 0.000 0.522 455 T N 2.027 116.550 114.554 -0.052 0.000 2.784 455 T HA 0.356 4.705 4.350 -0.001 0.000 0.291 455 T C 0.418 175.183 174.700 0.108 0.000 0.942 455 T CA -0.098 62.055 62.100 0.088 0.000 1.161 455 T CB 1.105 70.128 68.868 0.259 0.000 0.885 455 T HN 0.251 nan 8.240 nan 0.000 0.534 456 A N 3.757 126.633 122.820 0.093 0.000 2.303 456 A HA 0.806 5.125 4.320 -0.001 0.000 0.317 456 A C -0.657 176.991 177.584 0.107 0.000 1.149 456 A CA -0.589 51.495 52.037 0.078 0.000 0.822 456 A CB 0.614 19.634 19.000 0.033 0.000 1.131 456 A HN 0.650 nan 8.150 nan 0.000 0.493 457 L N 1.494 122.775 121.223 0.097 0.000 2.518 457 L HA 0.489 4.828 4.340 -0.001 0.000 0.257 457 L C -1.169 175.743 176.870 0.070 0.000 0.980 457 L CA -0.287 54.614 54.840 0.102 0.000 0.837 457 L CB 2.315 44.464 42.059 0.150 0.000 1.410 457 L HN 0.821 nan 8.230 nan 0.000 0.410 458 N N 2.109 120.847 118.700 0.063 0.000 2.295 458 N HA 0.292 5.031 4.740 -0.001 0.000 0.293 458 N C -1.185 174.357 175.510 0.054 0.000 1.040 458 N CA -0.648 52.433 53.050 0.051 0.000 0.840 458 N CB 2.355 40.872 38.487 0.051 0.000 1.468 458 N HN 0.678 nan 8.380 nan 0.000 0.478 459 N N 1.089 119.814 118.700 0.041 0.000 2.297 459 N HA 0.009 4.748 4.740 -0.001 0.000 0.232 459 N C -0.494 175.044 175.510 0.046 0.000 1.311 459 N CA 0.021 53.093 53.050 0.037 0.000 0.897 459 N CB 0.864 39.355 38.487 0.006 0.000 1.137 459 N HN 0.096 nan 8.380 nan 0.000 0.449 460 V N 3.643 123.590 119.914 0.055 0.000 2.439 460 V HA 0.173 4.292 4.120 -0.001 0.000 0.271 460 V C -1.751 174.380 176.094 0.062 0.000 1.040 460 V CA -1.073 61.272 62.300 0.076 0.000 1.002 460 V CB 0.674 32.553 31.823 0.094 0.000 1.000 460 V HN 0.699 nan 8.190 nan 0.000 0.477 461 P HA 0.227 nan 4.420 nan 0.000 0.272 461 P C -2.665 174.635 177.300 -0.001 0.000 1.240 461 P CA -1.669 61.453 63.100 0.035 0.000 0.791 461 P CB -0.344 31.407 31.700 0.086 0.000 0.978 462 P HA 0.030 nan 4.420 nan 0.000 0.268 462 P C -0.682 176.413 177.300 -0.343 0.000 1.204 462 P CA 0.369 63.375 63.100 -0.157 0.000 0.768 462 P CB 0.153 31.532 31.700 -0.534 0.000 0.842 463 V N 4.470 124.167 119.914 -0.363 0.000 2.266 463 V HA 0.214 4.334 4.120 -0.001 0.000 0.271 463 V C -0.379 175.488 176.094 -0.378 0.000 1.032 463 V CA -0.645 61.343 62.300 -0.520 0.000 0.806 463 V CB -0.332 31.234 31.823 -0.428 0.000 1.052 463 V HN 0.452 nan 8.190 nan 0.000 0.449 464 Y N 7.806 127.739 120.300 -0.612 0.000 2.387 464 Y HA 0.645 5.194 4.550 -0.001 0.000 0.330 464 Y C -2.153 173.479 175.900 -0.447 0.000 1.133 464 Y CA -2.433 55.255 58.100 -0.688 0.000 1.152 464 Y CB 2.355 39.839 38.460 -1.627 0.000 1.215 464 Y HN 0.344 nan 8.280 nan 0.000 0.466 465 P HA -0.132 nan 4.420 nan 0.000 0.196 465 P C 0.397 177.573 177.300 -0.205 0.000 1.105 465 P CA 1.565 64.080 63.100 -0.976 0.000 0.866 465 P CB 0.161 31.568 31.700 -0.489 0.000 0.706 466 N N -0.348 118.296 118.700 -0.094 0.000 1.596 466 N HA -0.295 4.444 4.740 -0.001 0.000 0.137 466 N C 1.224 176.742 175.510 0.012 0.000 0.235 466 N CA 2.202 55.178 53.050 -0.123 0.000 1.299 466 N CB -2.275 35.980 38.487 -0.387 0.000 1.306 466 N HN 0.454 nan 8.380 nan 0.000 0.455 467 G N 1.493 110.165 108.800 -0.214 0.000 3.568 467 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.233 467 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.233 467 G C 0.027 175.114 174.900 0.312 0.000 1.064 467 G CA 0.585 45.752 45.100 0.112 0.000 0.931 467 G HN 0.653 nan 8.290 nan 0.000 0.493 468 Q N -0.618 119.350 119.800 0.279 0.000 2.212 468 Q HA 0.542 4.882 4.340 -0.001 0.000 0.238 468 Q C 1.067 177.065 176.000 -0.003 0.000 0.955 468 Q CA -0.884 54.959 55.803 0.066 0.000 0.906 468 Q CB 1.007 29.786 28.738 0.068 0.000 1.215 468 Q HN 0.523 nan 8.270 nan 0.000 0.478 469 I N -0.258 120.114 120.570 -0.330 0.000 3.325 469 I HA 0.137 4.307 4.170 -0.001 0.000 0.237 469 I C -0.115 176.079 176.117 0.129 0.000 1.068 469 I CA 0.066 61.155 61.300 -0.351 0.000 1.511 469 I CB 0.210 37.860 38.000 -0.582 0.000 1.409 469 I HN 0.660 nan 8.210 nan 0.000 0.464 470 W N 0.722 122.046 121.300 0.040 0.000 2.761 470 W HA 0.667 5.327 4.660 -0.001 0.000 0.340 470 W C -1.465 175.168 176.519 0.190 0.000 1.072 470 W CA -1.014 56.396 57.345 0.109 0.000 1.215 470 W CB 0.630 30.059 29.460 -0.052 0.000 1.420 470 W HN -0.066 nan 8.180 nan 0.000 0.519 471 D N 2.237 122.872 120.400 0.391 0.000 2.863 471 D HA 0.201 4.840 4.640 -0.001 0.000 0.245 471 D C -0.196 176.243 176.300 0.232 0.000 1.211 471 D CA -0.680 53.549 54.000 0.382 0.000 0.888 471 D CB 1.636 42.679 40.800 0.405 0.000 1.483 471 D HN 0.522 nan 8.370 nan 0.000 0.533 472 K N 1.545 121.911 120.400 -0.057 0.000 2.370 472 K HA -0.107 4.212 4.320 -0.001 0.000 0.263 472 K C -0.358 176.311 176.600 0.115 0.000 0.983 472 K CA 0.605 56.758 56.287 -0.223 0.000 0.867 472 K CB 0.393 32.449 32.500 -0.741 0.000 0.967 472 K HN 0.450 nan 8.250 nan 0.000 0.535 473 E N 0.305 120.590 120.200 0.141 0.000 2.266 473 E HA 0.269 4.618 4.350 -0.001 0.000 0.268 473 E C -1.239 175.610 176.600 0.414 0.000 0.879 473 E CA -0.707 55.861 56.400 0.279 0.000 0.762 473 E CB 0.554 30.331 29.700 0.128 0.000 1.199 473 E HN 0.282 nan 8.360 nan 0.000 0.422 474 F N 1.863 121.898 119.950 0.142 0.000 2.595 474 F HA 0.060 4.586 4.527 -0.001 0.000 0.359 474 F C 1.431 177.266 175.800 0.057 0.000 1.147 474 F CA 0.190 58.237 58.000 0.078 0.000 1.341 474 F CB 0.391 39.426 39.000 0.057 0.000 1.104 474 F HN 0.622 nan 8.300 nan 0.000 0.603 475 D N -0.142 120.366 120.400 0.180 0.000 2.370 475 D HA 0.029 4.668 4.640 -0.001 0.000 0.230 475 D C 0.024 176.378 176.300 0.089 0.000 1.143 475 D CA 0.045 54.108 54.000 0.105 0.000 0.834 475 D CB 0.009 40.843 40.800 0.056 0.000 0.944 475 D HN 0.499 nan 8.370 nan 0.000 0.504 476 T N -2.637 111.995 114.554 0.129 0.000 2.817 476 T HA 0.107 4.457 4.350 -0.001 0.000 0.293 476 T C 1.114 175.866 174.700 0.087 0.000 0.964 476 T CA -0.824 61.336 62.100 0.099 0.000 1.085 476 T CB 1.622 70.568 68.868 0.131 0.000 0.921 476 T HN -0.045 nan 8.240 nan 0.000 0.502 477 D N 1.760 122.195 120.400 0.058 0.000 2.191 477 D HA -0.131 4.509 4.640 -0.001 0.000 0.190 477 D C 0.676 177.007 176.300 0.052 0.000 1.007 477 D CA 1.337 55.366 54.000 0.047 0.000 0.865 477 D CB 0.037 40.857 40.800 0.034 0.000 0.929 477 D HN 0.520 nan 8.370 nan 0.000 0.447 478 L N 0.915 122.172 121.223 0.057 0.000 2.309 478 L HA 0.340 4.679 4.340 -0.001 0.000 0.282 478 L C 0.263 177.178 176.870 0.074 0.000 1.036 478 L CA -0.445 54.428 54.840 0.055 0.000 0.806 478 L CB 1.562 43.648 42.059 0.046 0.000 1.220 478 L HN -0.210 nan 8.230 nan 0.000 0.429 479 K N 2.734 123.171 120.400 0.062 0.000 2.385 479 K HA 0.580 4.899 4.320 -0.001 0.000 0.248 479 K C -2.556 174.056 176.600 0.020 0.000 0.955 479 K CA -1.927 54.397 56.287 0.061 0.000 0.816 479 K CB 1.566 34.109 32.500 0.071 0.000 1.250 479 K HN 0.293 nan 8.250 nan 0.000 0.434 480 P HA 0.118 nan 4.420 nan 0.000 0.268 480 P C 0.117 177.422 177.300 0.010 0.000 1.205 480 P CA -0.153 62.913 63.100 -0.056 0.000 0.771 480 P CB 0.654 32.235 31.700 -0.199 0.000 0.858 481 R N 1.319 121.828 120.500 0.015 0.000 2.081 481 R HA 0.018 4.358 4.340 -0.001 0.000 0.235 481 R C 0.905 177.232 176.300 0.044 0.000 1.131 481 R CA 1.121 57.243 56.100 0.036 0.000 0.960 481 R CB -0.533 29.794 30.300 0.046 0.000 0.856 481 R HN 0.545 nan 8.270 nan 0.000 0.436 482 L N -3.885 117.376 121.223 0.064 0.000 2.622 482 L HA 0.502 4.841 4.340 -0.001 0.000 0.258 482 L C -0.947 176.037 176.870 0.188 0.000 0.996 482 L CA -1.144 53.751 54.840 0.092 0.000 0.858 482 L CB 2.178 44.275 42.059 0.063 0.000 1.449 482 L HN -0.083 nan 8.230 nan 0.000 0.411 483 H N -0.034 119.013 119.070 -0.040 0.000 2.508 483 H HA 0.446 5.001 4.556 -0.001 0.000 0.344 483 H C 0.497 175.830 175.328 0.008 0.000 1.192 483 H CA -0.492 55.533 56.048 -0.039 0.000 1.290 483 H CB 2.821 32.575 29.762 -0.013 0.000 1.571 483 H HN 0.640 nan 8.280 nan 0.000 0.555 484 V N -0.949 119.034 119.914 0.115 0.000 3.643 484 V HA 0.011 4.130 4.120 -0.001 0.000 0.280 484 V C 0.799 176.959 176.094 0.110 0.000 1.351 484 V CA 0.967 63.318 62.300 0.084 0.000 1.073 484 V CB -0.394 31.447 31.823 0.031 0.000 0.863 484 V HN 0.746 nan 8.190 nan 0.000 0.436 485 N N 1.111 119.900 118.700 0.148 0.000 2.348 485 N HA 0.515 5.254 4.740 -0.001 0.000 0.183 485 N C 0.401 176.043 175.510 0.219 0.000 1.094 485 N CA 0.620 53.771 53.050 0.169 0.000 0.885 485 N CB 0.579 39.160 38.487 0.155 0.000 1.065 485 N HN 0.598 nan 8.380 nan 0.000 0.472 486 A N 0.242 123.199 122.820 0.229 0.000 2.455 486 A HA 0.559 4.879 4.320 -0.001 0.000 0.300 486 A C -2.165 175.536 177.584 0.196 0.000 1.040 486 A CA -1.470 50.716 52.037 0.249 0.000 0.697 486 A CB 1.459 20.604 19.000 0.242 0.000 1.265 486 A HN -0.056 nan 8.150 nan 0.000 0.407 487 P HA -0.021 nan 4.420 nan 0.000 0.218 487 P C -0.059 177.062 177.300 -0.298 0.000 1.149 487 P CA 1.259 64.311 63.100 -0.080 0.000 0.817 487 P CB -0.028 31.605 31.700 -0.113 0.000 0.785 488 F N -0.945 119.113 119.950 0.180 0.000 2.436 488 F HA 0.399 4.925 4.527 -0.001 0.000 0.340 488 F C 0.176 176.029 175.800 0.087 0.000 1.113 488 F CA -1.098 56.978 58.000 0.127 0.000 1.022 488 F CB 1.635 40.712 39.000 0.129 0.000 1.128 488 F HN -0.456 nan 8.300 nan 0.000 0.466 489 V N 2.712 122.730 119.914 0.173 0.000 2.409 489 V HA 0.210 4.330 4.120 -0.001 0.000 0.290 489 V C -0.454 175.701 176.094 0.103 0.000 1.017 489 V CA -1.210 61.100 62.300 0.017 0.000 0.841 489 V CB 1.142 32.757 31.823 -0.347 0.000 1.003 489 V HN 0.967 nan 8.190 nan 0.000 0.426 490 c N 3.883 122.589 118.600 0.177 0.000 2.634 490 c HA 0.092 4.661 4.570 -0.001 0.000 0.417 490 c C 1.818 175.972 174.090 0.106 0.000 1.334 490 c CA -0.217 56.233 56.329 0.201 0.000 1.829 490 c CB -0.488 42.168 42.510 0.244 0.000 2.665 490 c HN 0.949 nan 8.230 nan 0.000 0.614 491 Q N 1.200 121.061 119.800 0.102 0.000 2.302 491 Q HA 0.005 4.344 4.340 -0.001 0.000 0.202 491 Q C 0.464 176.498 176.000 0.057 0.000 0.936 491 Q CA 0.921 56.765 55.803 0.068 0.000 0.886 491 Q CB 0.178 28.954 28.738 0.064 0.000 0.986 491 Q HN 0.807 nan 8.270 nan 0.000 0.487 492 N N 0.079 118.815 118.700 0.059 0.000 2.879 492 N HA 0.113 4.852 4.740 -0.001 0.000 0.329 492 N C -0.742 174.803 175.510 0.058 0.000 1.337 492 N CA -0.742 52.334 53.050 0.042 0.000 0.844 492 N CB 0.373 38.868 38.487 0.013 0.000 1.236 492 N HN -0.070 nan 8.380 nan 0.000 0.601 493 N N -0.824 117.910 118.700 0.057 0.000 2.395 493 N HA 0.066 4.805 4.740 -0.001 0.000 0.246 493 N C -1.039 174.574 175.510 0.171 0.000 1.246 493 N CA 0.201 53.300 53.050 0.081 0.000 0.879 493 N CB 0.286 38.829 38.487 0.093 0.000 1.098 493 N HN 0.377 nan 8.380 nan 0.000 0.444 494 c N 2.395 121.027 118.600 0.054 0.000 2.451 494 c HA 0.606 5.175 4.570 -0.001 0.000 0.391 494 c C -2.127 171.618 174.090 -0.576 0.000 1.286 494 c CA -1.300 54.957 56.329 -0.120 0.000 1.935 494 c CB 0.973 43.422 42.510 -0.103 0.000 2.188 494 c HN 0.666 nan 8.230 nan 0.000 0.523 495 P HA 0.193 nan 4.420 nan 0.000 0.266 495 P C -0.151 176.915 177.300 -0.389 0.000 1.195 495 P CA 0.698 63.028 63.100 -1.283 0.000 0.768 495 P CB 0.069 31.084 31.700 -1.141 0.000 0.838 496 G N 2.410 111.057 108.800 -0.255 0.000 2.415 496 G HA2 0.181 4.141 3.960 -0.001 0.000 0.269 496 G HA3 0.181 4.141 3.960 -0.001 0.000 0.269 496 G C -0.412 174.398 174.900 -0.150 0.000 1.209 496 G CA -0.517 44.518 45.100 -0.108 0.000 0.835 496 G HN 0.449 nan 8.290 nan 0.000 0.534 497 Q N -0.398 119.249 119.800 -0.255 0.000 2.364 497 Q HA 0.173 4.513 4.340 -0.001 0.000 0.267 497 Q C -0.497 175.038 176.000 -0.775 0.000 0.999 497 Q CA -0.322 55.146 55.803 -0.558 0.000 0.886 497 Q CB 1.730 29.963 28.738 -0.840 0.000 1.243 497 Q HN 0.384 nan 8.270 nan 0.000 0.415 498 L N 3.646 124.502 121.223 -0.612 0.000 2.259 498 L HA 0.356 4.696 4.340 -0.001 0.000 0.288 498 L C -1.579 174.955 176.870 -0.561 0.000 1.051 498 L CA 0.035 54.614 54.840 -0.435 0.000 0.824 498 L CB 0.142 42.150 42.059 -0.085 0.000 1.206 498 L HN 0.363 nan 8.230 nan 0.000 0.429 499 F N 5.094 124.892 119.950 -0.252 0.000 2.385 499 F HA 0.501 5.028 4.527 -0.001 0.000 0.360 499 F C 0.056 175.814 175.800 -0.070 0.000 1.122 499 F CA -0.766 57.086 58.000 -0.247 0.000 1.090 499 F CB 1.418 40.121 39.000 -0.495 0.000 1.150 499 F HN 0.066 nan 8.300 nan 0.000 0.472 500 V N 4.415 124.471 119.914 0.237 0.000 2.384 500 V HA 0.503 4.622 4.120 -0.001 0.000 0.287 500 V C -0.169 176.101 176.094 0.294 0.000 1.020 500 V CA -0.923 61.491 62.300 0.190 0.000 0.850 500 V CB 1.572 33.473 31.823 0.131 0.000 0.987 500 V HN 0.740 nan 8.190 nan 0.000 0.436 501 K N 3.363 123.914 120.400 0.252 0.000 2.444 501 K HA 0.796 5.116 4.320 -0.001 0.000 0.252 501 K C -1.682 174.864 176.600 -0.089 0.000 0.993 501 K CA -0.645 55.631 56.287 -0.018 0.000 0.847 501 K CB 2.648 34.779 32.500 -0.615 0.000 1.340 501 K HN 0.380 nan 8.250 nan 0.000 0.446 502 V N 1.964 121.792 119.914 -0.143 0.000 2.427 502 V HA 0.470 4.589 4.120 -0.001 0.000 0.286 502 V C -0.010 175.986 176.094 -0.164 0.000 1.034 502 V CA -0.860 61.375 62.300 -0.108 0.000 0.893 502 V CB 1.099 32.884 31.823 -0.064 0.000 0.982 502 V HN 0.891 nan 8.190 nan 0.000 0.452 503 A N 7.189 129.939 122.820 -0.115 0.000 2.401 503 A HA 0.629 4.948 4.320 -0.001 0.000 0.259 503 A C -2.250 175.274 177.584 -0.101 0.000 1.103 503 A CA -1.275 50.695 52.037 -0.111 0.000 0.789 503 A CB -0.151 18.809 19.000 -0.066 0.000 1.035 503 A HN 0.678 nan 8.150 nan 0.000 0.491 504 P HA 0.035 nan 4.420 nan 0.000 0.266 504 P C -0.671 176.573 177.300 -0.093 0.000 1.215 504 P CA 0.017 63.057 63.100 -0.101 0.000 0.763 504 P CB 0.271 31.903 31.700 -0.112 0.000 0.806 505 N N 4.284 122.938 118.700 -0.077 0.000 2.457 505 N HA 0.236 4.976 4.740 -0.001 0.000 0.250 505 N C -0.846 174.623 175.510 -0.068 0.000 0.982 505 N CA -0.337 52.673 53.050 -0.067 0.000 0.941 505 N CB 0.540 38.996 38.487 -0.052 0.000 1.120 505 N HN 0.318 nan 8.380 nan 0.000 0.505 506 L N 1.881 123.052 121.223 -0.087 0.000 2.344 506 L HA 0.391 4.731 4.340 -0.001 0.000 0.272 506 L C 1.413 178.256 176.870 -0.044 0.000 1.035 506 L CA -0.684 54.101 54.840 -0.092 0.000 0.807 506 L CB 1.804 43.749 42.059 -0.190 0.000 1.237 506 L HN 0.543 nan 8.230 nan 0.000 0.442 507 T N -2.502 112.046 114.554 -0.009 0.000 2.891 507 T HA 0.104 4.453 4.350 -0.001 0.000 0.294 507 T C 0.979 175.694 174.700 0.025 0.000 1.065 507 T CA -0.515 61.592 62.100 0.011 0.000 0.936 507 T CB 0.531 69.415 68.868 0.027 0.000 1.415 507 T HN 0.739 nan 8.240 nan 0.000 0.572 508 N N -0.416 118.301 118.700 0.029 0.000 2.467 508 N HA -0.053 4.686 4.740 -0.001 0.000 0.184 508 N C -0.016 175.526 175.510 0.053 0.000 1.106 508 N CA 0.030 53.099 53.050 0.033 0.000 0.892 508 N CB 0.188 38.687 38.487 0.021 0.000 0.969 508 N HN 0.634 nan 8.380 nan 0.000 0.454 509 Q N 0.024 119.866 119.800 0.071 0.000 2.325 509 Q HA 0.343 4.683 4.340 -0.001 0.000 0.270 509 Q C -2.027 174.072 176.000 0.166 0.000 1.020 509 Q CA -0.629 55.225 55.803 0.085 0.000 0.785 509 Q CB 2.139 30.907 28.738 0.049 0.000 1.259 509 Q HN 0.314 nan 8.270 nan 0.000 0.452 510 Y N 1.488 121.787 120.300 -0.002 0.000 2.262 510 Y HA 0.167 4.717 4.550 -0.001 0.000 0.317 510 Y C -2.039 173.861 175.900 0.001 0.000 1.230 510 Y CA -0.734 57.366 58.100 -0.001 0.000 1.166 510 Y CB 1.340 39.800 38.460 -0.001 0.000 1.254 510 Y HN 0.654 nan 8.280 nan 0.000 0.405 511 D N 8.487 128.592 120.400 -0.492 0.000 2.460 511 D HA 0.440 5.080 4.640 -0.001 0.000 0.232 511 D C -1.945 173.983 176.300 -0.620 0.000 1.079 511 D CA -2.257 51.497 54.000 -0.409 0.000 0.864 511 D CB 1.678 42.357 40.800 -0.202 0.000 1.048 511 D HN 0.259 nan 8.370 nan 0.000 0.523 512 P HA -0.037 nan 4.420 nan 0.000 0.236 512 P C -0.325 176.869 177.300 -0.177 0.000 1.172 512 P CA 0.724 63.597 63.100 -0.380 0.000 0.759 512 P CB 0.284 31.957 31.700 -0.045 0.000 0.843 513 D N -0.518 119.784 120.400 -0.162 0.000 2.615 513 D HA 0.297 4.936 4.640 -0.001 0.000 0.236 513 D C 0.167 176.413 176.300 -0.090 0.000 1.233 513 D CA -0.055 53.891 54.000 -0.089 0.000 0.829 513 D CB 0.786 41.549 40.800 -0.061 0.000 1.024 513 D HN 0.101 nan 8.370 nan 0.000 0.490 514 A N 0.557 123.306 122.820 -0.118 0.000 2.337 514 A HA 0.414 4.734 4.320 -0.001 0.000 0.329 514 A C 1.342 178.885 177.584 -0.068 0.000 1.146 514 A CA -0.510 51.470 52.037 -0.096 0.000 0.800 514 A CB 1.475 20.399 19.000 -0.127 0.000 1.220 514 A HN 0.079 nan 8.150 nan 0.000 0.472 515 S N 1.756 117.427 115.700 -0.048 0.000 2.368 515 S HA 0.126 4.595 4.470 -0.001 0.000 0.224 515 S C 1.201 175.783 174.600 -0.029 0.000 1.029 515 S CA 1.014 59.195 58.200 -0.032 0.000 0.988 515 S CB -0.632 62.552 63.200 -0.027 0.000 0.838 515 S HN 1.631 nan 8.310 nan 0.000 0.462 516 A N 1.980 124.779 122.820 -0.034 0.000 2.310 516 A HA 0.447 4.766 4.320 -0.001 0.000 0.260 516 A C 0.210 177.779 177.584 -0.024 0.000 1.112 516 A CA -0.567 51.454 52.037 -0.026 0.000 0.804 516 A CB 0.023 19.007 19.000 -0.026 0.000 1.081 516 A HN 0.535 nan 8.150 nan 0.000 0.499 517 N N 1.007 119.702 118.700 -0.008 0.000 2.501 517 N HA 0.376 5.116 4.740 -0.001 0.000 0.245 517 N C 0.032 175.560 175.510 0.030 0.000 0.974 517 N CA -0.117 52.941 53.050 0.014 0.000 0.941 517 N CB 0.995 39.494 38.487 0.019 0.000 1.122 517 N HN 0.731 nan 8.380 nan 0.000 0.507 518 M N 0.767 120.395 119.600 0.047 0.000 1.768 518 M HA -0.218 4.261 4.480 -0.001 0.000 0.206 518 M C 0.133 176.484 176.300 0.084 0.000 0.871 518 M CA 0.792 56.151 55.300 0.099 0.000 0.534 518 M CB -0.586 32.215 32.600 0.334 0.000 0.796 518 M HN 0.356 nan 8.290 nan 0.000 0.238 519 S N -0.480 115.279 115.700 0.099 0.000 2.707 519 S HA 0.701 5.171 4.470 -0.001 0.000 0.303 519 S C -0.655 173.978 174.600 0.055 0.000 1.132 519 S CA -1.269 56.966 58.200 0.058 0.000 1.046 519 S CB 1.277 64.501 63.200 0.040 0.000 1.004 519 S HN 0.833 nan 8.310 nan 0.000 0.483 520 R N 2.087 122.605 120.500 0.030 0.000 2.758 520 R HA 0.624 4.963 4.340 -0.001 0.000 0.265 520 R C -0.673 175.627 176.300 0.001 0.000 1.016 520 R CA -0.998 55.106 56.100 0.006 0.000 1.040 520 R CB 0.680 30.974 30.300 -0.010 0.000 1.152 520 R HN 0.612 nan 8.270 nan 0.000 0.503 521 I N 2.000 122.564 120.570 -0.011 0.000 2.517 521 I HA -0.024 4.146 4.170 -0.001 0.000 0.285 521 I C 0.308 176.421 176.117 -0.006 0.000 1.106 521 I CA -0.483 60.811 61.300 -0.011 0.000 1.402 521 I CB 1.256 39.243 38.000 -0.021 0.000 1.399 521 I HN 0.317 nan 8.210 nan 0.000 0.535 522 V N 6.703 126.621 119.914 0.008 0.000 2.459 522 V HA -0.059 4.061 4.120 -0.001 0.000 0.255 522 V C 0.600 176.721 176.094 0.045 0.000 1.015 522 V CA 0.679 62.999 62.300 0.035 0.000 1.163 522 V CB -1.261 30.589 31.823 0.045 0.000 1.109 522 V HN 0.737 nan 8.190 nan 0.000 0.473 523 T N 5.407 119.980 114.554 0.031 0.000 2.856 523 T HA 0.730 5.079 4.350 -0.001 0.000 0.283 523 T C -0.635 174.106 174.700 0.068 0.000 1.008 523 T CA -0.329 61.763 62.100 -0.013 0.000 0.997 523 T CB 1.539 70.379 68.868 -0.048 0.000 0.992 523 T HN 0.647 nan 8.240 nan 0.000 0.454 524 Y N -0.468 119.834 120.300 0.003 0.000 2.615 524 Y HA 0.826 5.375 4.550 -0.001 0.000 0.341 524 Y C -0.725 175.152 175.900 -0.038 0.000 1.089 524 Y CA -1.458 56.617 58.100 -0.041 0.000 1.049 524 Y CB 1.265 39.702 38.460 -0.039 0.000 1.296 524 Y HN 0.656 nan 8.280 nan 0.000 0.470 525 S N 0.104 115.886 115.700 0.135 0.000 2.543 525 S HA 0.603 5.072 4.470 -0.001 0.000 0.271 525 S C -2.161 172.501 174.600 0.103 0.000 1.148 525 S CA -0.849 57.410 58.200 0.098 0.000 0.914 525 S CB 1.768 65.022 63.200 0.090 0.000 1.096 525 S HN 0.671 nan 8.310 nan 0.000 0.471 526 D N 1.730 122.210 120.400 0.133 0.000 2.375 526 D HA 0.720 5.359 4.640 -0.001 0.000 0.247 526 D C -0.713 175.623 176.300 0.061 0.000 1.061 526 D CA -0.400 53.605 54.000 0.008 0.000 0.834 526 D CB 1.244 42.085 40.800 0.069 0.000 1.247 526 D HN 0.576 nan 8.370 nan 0.000 0.489 527 F N -1.074 118.805 119.950 -0.117 0.000 2.599 527 F HA 0.712 5.239 4.527 -0.001 0.000 0.311 527 F C -1.478 174.180 175.800 -0.237 0.000 1.076 527 F CA -1.603 56.340 58.000 -0.096 0.000 0.937 527 F CB 0.868 39.862 39.000 -0.009 0.000 1.282 527 F HN 0.201 nan 8.300 nan 0.000 0.460 528 W N 2.347 123.578 121.300 -0.115 0.000 2.351 528 W HA 0.431 5.091 4.660 -0.001 0.000 0.311 528 W C -1.091 175.147 176.519 -0.469 0.000 1.168 528 W CA -0.269 56.801 57.345 -0.457 0.000 1.200 528 W CB 1.211 30.121 29.460 -0.916 0.000 1.221 528 W HN 0.720 nan 8.180 nan 0.000 0.519 529 W N 5.929 127.107 121.300 -0.203 0.000 2.573 529 W HA 0.553 5.212 4.660 -0.001 0.000 0.326 529 W C -0.967 175.513 176.519 -0.065 0.000 1.049 529 W CA -1.331 55.977 57.345 -0.062 0.000 1.220 529 W CB 1.056 30.526 29.460 0.016 0.000 1.373 529 W HN 0.188 nan 8.180 nan 0.000 0.507 530 K N 3.696 123.605 120.400 -0.818 0.000 2.385 530 K HA 0.802 5.122 4.320 -0.001 0.000 0.248 530 K C -0.777 174.987 176.600 -1.393 0.000 0.955 530 K CA -0.984 54.824 56.287 -0.798 0.000 0.816 530 K CB 1.867 34.280 32.500 -0.144 0.000 1.250 530 K HN 0.714 nan 8.250 nan 0.000 0.434 531 G N 2.174 110.416 108.800 -0.930 0.000 2.682 531 G HA2 0.390 4.349 3.960 -0.001 0.000 0.300 531 G HA3 0.390 4.349 3.960 -0.001 0.000 0.300 531 G C -1.824 173.095 174.900 0.031 0.000 1.391 531 G CA -0.533 44.302 45.100 -0.442 0.000 0.990 531 G HN 0.452 nan 8.290 nan 0.000 0.501 532 K N 2.143 122.466 120.400 -0.128 0.000 2.572 532 K HA 0.494 4.813 4.320 -0.001 0.000 0.244 532 K C -1.509 174.868 176.600 -0.372 0.000 0.965 532 K CA -0.734 55.446 56.287 -0.179 0.000 0.943 532 K CB 1.403 33.775 32.500 -0.214 0.000 1.154 532 K HN 0.332 nan 8.250 nan 0.000 0.447 533 L N 4.991 125.905 121.223 -0.515 0.000 2.307 533 L HA 0.472 4.811 4.340 -0.001 0.000 0.284 533 L C -1.359 175.175 176.870 -0.560 0.000 1.023 533 L CA -0.516 53.898 54.840 -0.711 0.000 0.810 533 L CB 1.774 42.992 42.059 -1.401 0.000 1.231 533 L HN 0.345 nan 8.230 nan 0.000 0.423 534 V N 5.784 125.298 119.914 -0.668 0.000 2.448 534 V HA 0.532 4.652 4.120 -0.001 0.000 0.295 534 V C -0.664 174.964 176.094 -0.777 0.000 1.025 534 V CA -0.388 61.582 62.300 -0.551 0.000 0.859 534 V CB 1.311 32.884 31.823 -0.416 0.000 0.988 534 V HN 0.550 nan 8.190 nan 0.000 0.431 535 F N 2.942 122.755 119.950 -0.228 0.000 2.551 535 F HA 0.651 5.178 4.527 -0.001 0.000 0.316 535 F C -0.013 175.724 175.800 -0.105 0.000 1.089 535 F CA -0.787 57.145 58.000 -0.113 0.000 0.915 535 F CB 2.158 41.170 39.000 0.020 0.000 1.186 535 F HN 0.281 nan 8.300 nan 0.000 0.456 536 K N 2.196 122.732 120.400 0.227 0.000 2.463 536 K HA 0.880 5.200 4.320 -0.001 0.000 0.255 536 K C -1.572 175.310 176.600 0.470 0.000 0.942 536 K CA -0.378 56.088 56.287 0.298 0.000 0.814 536 K CB 1.554 34.219 32.500 0.276 0.000 1.122 536 K HN 0.837 nan 8.250 nan 0.000 0.425 537 A N 3.235 126.278 122.820 0.372 0.000 2.532 537 A HA 0.636 4.956 4.320 -0.001 0.000 0.290 537 A C -1.621 175.974 177.584 0.018 0.000 1.143 537 A CA -0.816 51.343 52.037 0.204 0.000 0.728 537 A CB 1.593 20.646 19.000 0.087 0.000 1.317 537 A HN 0.634 nan 8.150 nan 0.000 0.414 538 K N 0.019 120.289 120.400 -0.217 0.000 2.118 538 K HA 0.735 5.054 4.320 -0.001 0.000 0.254 538 K C -1.229 175.262 176.600 -0.182 0.000 0.961 538 K CA -0.375 55.655 56.287 -0.428 0.000 0.876 538 K CB 0.989 33.146 32.500 -0.572 0.000 1.077 538 K HN 0.571 nan 8.250 nan 0.000 0.440 539 L N 4.191 125.324 121.223 -0.150 0.000 2.334 539 L HA 0.493 4.832 4.340 -0.001 0.000 0.277 539 L C 0.332 177.164 176.870 -0.064 0.000 1.075 539 L CA -0.911 53.897 54.840 -0.055 0.000 0.804 539 L CB 1.338 43.393 42.059 -0.007 0.000 1.174 539 L HN 0.697 nan 8.230 nan 0.000 0.438 540 R N 2.357 122.832 120.500 -0.042 0.000 2.357 540 R HA 0.729 5.069 4.340 -0.001 0.000 0.296 540 R C -0.605 175.684 176.300 -0.018 0.000 1.052 540 R CA -0.486 55.605 56.100 -0.014 0.000 0.988 540 R CB 1.128 31.419 30.300 -0.015 0.000 1.025 540 R HN 0.605 nan 8.270 nan 0.000 0.469 541 A N 2.297 125.128 122.820 0.018 0.000 2.281 541 A HA 0.488 4.807 4.320 -0.001 0.000 0.329 541 A C -0.336 177.117 177.584 -0.218 0.000 1.122 541 A CA -0.667 51.300 52.037 -0.117 0.000 0.850 541 A CB 1.319 20.225 19.000 -0.156 0.000 1.207 541 A HN 0.908 nan 8.150 nan 0.000 0.495 542 S N -0.838 114.647 115.700 -0.357 0.000 2.508 542 S HA 0.599 5.068 4.470 -0.001 0.000 0.284 542 S C -0.211 174.088 174.600 -0.501 0.000 1.192 542 S CA -0.291 57.745 58.200 -0.273 0.000 1.070 542 S CB 0.600 63.696 63.200 -0.173 0.000 1.004 542 S HN 0.734 nan 8.310 nan 0.000 0.493 543 H N 0.713 119.787 119.070 0.005 0.000 3.794 543 H HA 0.200 4.755 4.556 -0.001 0.000 0.258 543 H C 1.450 176.812 175.328 0.057 0.000 1.120 543 H CA 0.589 56.652 56.048 0.026 0.000 1.166 543 H CB 0.470 30.247 29.762 0.025 0.000 1.517 543 H HN 0.794 nan 8.280 nan 0.000 0.615 544 T N -2.660 111.992 114.554 0.163 0.000 4.510 544 T HA -0.045 4.305 4.350 -0.001 0.000 0.300 544 T C 0.974 175.806 174.700 0.219 0.000 1.079 544 T CA 0.106 62.311 62.100 0.175 0.000 1.123 544 T CB 0.832 69.789 68.868 0.149 0.000 2.102 544 T HN 0.437 nan 8.240 nan 0.000 0.438 545 W N 1.677 122.984 121.300 0.010 0.000 3.184 545 W HA 0.203 4.863 4.660 -0.001 0.000 0.182 545 W C -0.838 175.675 176.519 -0.011 0.000 0.992 545 W CA 0.176 57.520 57.345 -0.003 0.000 1.342 545 W CB -0.233 29.226 29.460 -0.003 0.000 0.673 545 W HN 0.746 nan 8.180 nan 0.000 0.830 546 N N 3.567 122.456 118.700 0.316 0.000 2.488 546 N HA 0.336 5.076 4.740 -0.001 0.000 0.274 546 N C -2.471 173.079 175.510 0.067 0.000 1.111 546 N CA -0.822 52.343 53.050 0.192 0.000 0.974 546 N CB 0.602 39.172 38.487 0.139 0.000 1.089 546 N HN -0.236 nan 8.380 nan 0.000 0.465 547 P HA 0.085 nan 4.420 nan 0.000 0.269 547 P C -0.286 177.019 177.300 0.009 0.000 1.217 547 P CA 0.034 63.129 63.100 -0.008 0.000 0.783 547 P CB 0.702 32.389 31.700 -0.021 0.000 0.898 548 I N 0.560 121.133 120.570 0.005 0.000 2.566 548 I HA 0.187 4.357 4.170 -0.001 0.000 0.303 548 I C 1.057 177.182 176.117 0.013 0.000 0.983 548 I CA -0.930 60.382 61.300 0.021 0.000 1.235 548 I CB 0.883 38.901 38.000 0.031 0.000 1.386 548 I HN 0.344 nan 8.210 nan 0.000 0.494 549 Q N 5.170 124.985 119.800 0.026 0.000 2.262 549 Q HA 0.063 4.402 4.340 -0.001 0.000 0.272 549 Q C -0.949 175.065 176.000 0.023 0.000 1.076 549 Q CA -0.081 55.731 55.803 0.015 0.000 0.905 549 Q CB 0.612 29.350 28.738 0.001 0.000 1.182 549 Q HN 0.429 nan 8.270 nan 0.000 0.390 550 Q N 3.052 122.853 119.800 0.002 0.000 2.333 550 Q HA 0.377 4.716 4.340 -0.001 0.000 0.266 550 Q C -0.647 175.346 176.000 -0.011 0.000 1.053 550 Q CA -0.754 55.041 55.803 -0.013 0.000 0.890 550 Q CB 1.692 30.411 28.738 -0.032 0.000 1.337 550 Q HN 0.722 nan 8.270 nan 0.000 0.474 551 M N 0.754 120.338 119.600 -0.028 0.000 2.264 551 M HA 0.402 4.882 4.480 -0.001 0.000 0.352 551 M C -0.635 175.635 176.300 -0.048 0.000 1.173 551 M CA 0.084 55.368 55.300 -0.026 0.000 1.075 551 M CB 1.163 33.745 32.600 -0.031 0.000 1.621 551 M HN 0.634 nan 8.290 nan 0.000 0.457 552 S N 3.725 119.397 115.700 -0.047 0.000 2.688 552 S HA 0.656 5.126 4.470 -0.001 0.000 0.275 552 S C -1.521 173.032 174.600 -0.080 0.000 1.175 552 S CA -0.827 57.332 58.200 -0.068 0.000 0.818 552 S CB 1.489 64.661 63.200 -0.046 0.000 1.157 552 S HN 0.655 nan 8.310 nan 0.000 0.482 553 I N 3.765 124.279 120.570 -0.093 0.000 2.328 553 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 553 I C -0.046 176.044 176.117 -0.045 0.000 1.012 553 I CA -0.313 60.934 61.300 -0.088 0.000 1.195 553 I CB 0.280 38.200 38.000 -0.134 0.000 1.350 553 I HN 0.628 nan 8.210 nan 0.000 0.464 554 N N 3.979 122.673 118.700 -0.009 0.000 2.476 554 N HA 0.315 5.054 4.740 -0.001 0.000 0.287 554 N C 1.151 176.646 175.510 -0.025 0.000 1.262 554 N CA -0.678 52.367 53.050 -0.008 0.000 0.980 554 N CB 1.110 39.606 38.487 0.014 0.000 1.163 554 N HN 0.250 nan 8.380 nan 0.000 0.592 555 V N 0.069 119.974 119.914 -0.016 0.000 3.461 555 V HA -0.016 4.103 4.120 -0.001 0.000 0.267 555 V C 0.218 176.316 176.094 0.006 0.000 1.186 555 V CA 1.216 63.503 62.300 -0.021 0.000 1.154 555 V CB -0.567 31.259 31.823 0.005 0.000 0.802 555 V HN 0.600 nan 8.190 nan 0.000 0.474 556 D N -0.881 119.532 120.400 0.022 0.000 2.407 556 D HA 0.086 4.726 4.640 -0.001 0.000 0.208 556 D C 1.341 177.677 176.300 0.061 0.000 1.083 556 D CA 0.097 54.127 54.000 0.051 0.000 0.844 556 D CB 0.512 41.341 40.800 0.048 0.000 0.967 556 D HN 0.460 nan 8.370 nan 0.000 0.506 557 N N 0.884 119.622 118.700 0.063 0.000 2.413 557 N HA -0.038 4.702 4.740 -0.001 0.000 0.193 557 N C 1.477 177.074 175.510 0.145 0.000 1.043 557 N CA 0.012 53.160 53.050 0.163 0.000 0.910 557 N CB 0.614 39.274 38.487 0.288 0.000 1.111 557 N HN 0.019 nan 8.380 nan 0.000 0.452 558 Q N 0.274 120.083 119.800 0.017 0.000 2.463 558 Q HA -0.253 4.086 4.340 -0.001 0.000 0.231 558 Q C 0.665 176.582 176.000 -0.138 0.000 1.097 558 Q CA 2.237 57.902 55.803 -0.230 0.000 0.992 558 Q CB -0.605 27.655 28.738 -0.797 0.000 0.999 558 Q HN 0.326 nan 8.270 nan 0.000 0.536 559 F N 0.261 120.284 119.950 0.122 0.000 2.726 559 F HA 0.095 4.621 4.527 -0.001 0.000 0.296 559 F C 1.497 177.309 175.800 0.019 0.000 1.250 559 F CA 0.303 58.348 58.000 0.075 0.000 1.434 559 F CB -0.278 38.751 39.000 0.049 0.000 1.043 559 F HN 0.183 nan 8.300 nan 0.000 0.508 560 N N -1.359 117.378 118.700 0.061 0.000 2.227 560 N HA 0.018 4.758 4.740 -0.001 0.000 0.196 560 N C 0.045 175.313 175.510 -0.404 0.000 1.142 560 N CA 0.418 53.329 53.050 -0.232 0.000 0.887 560 N CB 0.476 38.669 38.487 -0.490 0.000 1.022 560 N HN 0.307 nan 8.380 nan 0.000 0.500 561 Y N 0.283 120.660 120.300 0.127 0.000 2.715 561 Y HA 0.414 4.964 4.550 -0.001 0.000 0.255 561 Y C -0.339 175.655 175.900 0.156 0.000 1.139 561 Y CA -0.324 57.862 58.100 0.143 0.000 1.151 561 Y CB 0.874 39.398 38.460 0.106 0.000 1.201 561 Y HN -0.303 nan 8.280 nan 0.000 0.556 562 V N 1.138 121.214 119.914 0.270 0.000 2.932 562 V HA 0.417 4.537 4.120 -0.001 0.000 0.307 562 V C -2.319 173.887 176.094 0.187 0.000 1.147 562 V CA -2.114 60.328 62.300 0.235 0.000 0.951 562 V CB 2.612 34.589 31.823 0.257 0.000 1.031 562 V HN -0.065 nan 8.190 nan 0.000 0.426 563 P HA 0.264 nan 4.420 nan 0.000 0.271 563 P C -0.568 176.771 177.300 0.065 0.000 1.238 563 P CA -0.060 63.089 63.100 0.082 0.000 0.794 563 P CB 0.415 32.131 31.700 0.028 0.000 0.959 564 S N -0.772 114.945 115.700 0.028 0.000 2.607 564 S HA 0.234 4.704 4.470 -0.001 0.000 0.303 564 S C 1.246 175.837 174.600 -0.015 0.000 1.086 564 S CA -0.715 57.484 58.200 -0.002 0.000 0.995 564 S CB 0.913 64.104 63.200 -0.015 0.000 1.084 564 S HN 0.601 nan 8.310 nan 0.000 0.507 565 N N 1.400 120.083 118.700 -0.029 0.000 2.269 565 N HA -0.258 4.481 4.740 -0.001 0.000 0.199 565 N C 1.104 176.600 175.510 -0.023 0.000 0.984 565 N CA 2.002 55.035 53.050 -0.029 0.000 0.910 565 N CB -0.622 37.843 38.487 -0.037 0.000 1.002 565 N HN 0.761 nan 8.380 nan 0.000 0.465 566 I N -1.129 119.429 120.570 -0.021 0.000 3.708 566 I HA 0.166 4.336 4.170 -0.001 0.000 0.302 566 I C 1.103 177.213 176.117 -0.012 0.000 1.255 566 I CA 0.523 61.813 61.300 -0.017 0.000 1.362 566 I CB 0.255 38.245 38.000 -0.016 0.000 1.100 566 I HN 0.330 nan 8.210 nan 0.000 0.434 567 G N 1.930 110.724 108.800 -0.010 0.000 2.427 567 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.193 567 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.193 567 G C 0.237 175.141 174.900 0.006 0.000 1.086 567 G CA -0.319 44.781 45.100 -0.000 0.000 0.818 567 G HN 0.499 nan 8.290 nan 0.000 0.490 568 G N 0.079 108.878 108.800 -0.001 0.000 2.338 568 G HA2 0.625 4.585 3.960 -0.001 0.000 0.295 568 G HA3 0.625 4.585 3.960 -0.001 0.000 0.295 568 G C 0.114 175.007 174.900 -0.013 0.000 1.132 568 G CA -0.360 44.732 45.100 -0.014 0.000 0.922 568 G HN 0.256 nan 8.290 nan 0.000 0.427 569 M N 1.667 121.215 119.600 -0.086 0.000 2.598 569 M HA 0.619 5.098 4.480 -0.001 0.000 0.317 569 M C -0.189 176.011 176.300 -0.166 0.000 1.179 569 M CA -0.839 54.373 55.300 -0.147 0.000 0.936 569 M CB 2.229 34.606 32.600 -0.373 0.000 1.713 569 M HN 0.771 nan 8.290 nan 0.000 0.460 570 K N 1.000 121.416 120.400 0.027 0.000 2.622 570 K HA 0.631 4.951 4.320 -0.001 0.000 0.273 570 K C -2.003 174.745 176.600 0.247 0.000 0.957 570 K CA -0.716 55.689 56.287 0.196 0.000 0.861 570 K CB 1.298 33.868 32.500 0.117 0.000 1.405 570 K HN 0.622 nan 8.250 nan 0.000 0.406 571 I N 2.759 123.454 120.570 0.207 0.000 2.389 571 I HA 0.276 4.446 4.170 -0.001 0.000 0.288 571 I C -0.300 175.778 176.117 -0.065 0.000 0.999 571 I CA -1.354 59.982 61.300 0.059 0.000 1.129 571 I CB 1.980 39.961 38.000 -0.032 0.000 1.288 571 I HN 0.391 nan 8.210 nan 0.000 0.444 572 V N 6.112 125.980 119.914 -0.076 0.000 2.904 572 V HA 0.124 4.243 4.120 -0.001 0.000 0.305 572 V C -0.361 175.619 176.094 -0.190 0.000 1.067 572 V CA -0.455 61.779 62.300 -0.110 0.000 1.044 572 V CB 1.206 32.923 31.823 -0.175 0.000 1.050 572 V HN 0.590 nan 8.190 nan 0.000 0.475 573 Y N 1.235 121.252 120.300 -0.473 0.000 2.304 573 Y HA 0.698 5.248 4.550 -0.001 0.000 0.327 573 Y C -0.144 175.613 175.900 -0.237 0.000 1.209 573 Y CA -0.720 56.989 58.100 -0.651 0.000 1.299 573 Y CB 0.590 37.927 38.460 -1.872 0.000 1.249 573 Y HN 0.683 nan 8.280 nan 0.000 0.519 574 E N 3.113 123.214 120.200 -0.166 0.000 2.343 574 E HA 0.230 4.579 4.350 -0.001 0.000 0.278 574 E C -1.267 175.475 176.600 0.236 0.000 0.910 574 E CA -1.315 55.019 56.400 -0.110 0.000 0.757 574 E CB 1.888 31.601 29.700 0.023 0.000 1.218 574 E HN 0.561 nan 8.360 nan 0.000 0.435 575 K N 1.278 121.780 120.400 0.171 0.000 2.527 575 K HA 0.008 4.327 4.320 -0.001 0.000 0.278 575 K C 0.955 177.702 176.600 0.246 0.000 0.981 575 K CA 0.365 56.778 56.287 0.210 0.000 1.009 575 K CB 0.761 33.135 32.500 -0.211 0.000 0.895 575 K HN 0.658 nan 8.250 nan 0.000 0.493 576 S N 2.949 118.813 115.700 0.273 0.000 2.297 576 S HA -0.099 4.371 4.470 -0.001 0.000 0.200 576 S C 0.472 175.056 174.600 -0.026 0.000 1.011 576 S CA 0.004 58.287 58.200 0.139 0.000 0.938 576 S CB -0.180 63.080 63.200 0.099 0.000 0.924 576 S HN 0.620 nan 8.310 nan 0.000 0.504 577 Q N 2.739 122.540 119.800 0.003 0.000 2.402 577 Q HA 0.443 4.782 4.340 -0.001 0.000 0.238 577 Q C -0.814 175.275 176.000 0.149 0.000 1.126 577 Q CA -0.119 55.722 55.803 0.063 0.000 0.904 577 Q CB 0.193 29.008 28.738 0.129 0.000 1.357 577 Q HN 0.632 nan 8.270 nan 0.000 0.491 578 L N -0.479 120.871 121.223 0.212 0.000 2.488 578 L HA 0.932 5.271 4.340 -0.001 0.000 0.250 578 L C -0.859 176.174 176.870 0.271 0.000 1.280 578 L CA -0.838 54.225 54.840 0.372 0.000 0.929 578 L CB 0.688 42.920 42.059 0.289 0.000 1.200 578 L HN 0.412 nan 8.230 nan 0.000 0.495 579 A N 2.438 125.512 122.820 0.422 0.000 2.549 579 A HA 0.717 5.036 4.320 -0.001 0.000 0.306 579 A C -3.053 174.589 177.584 0.098 0.000 1.053 579 A CA -0.760 51.412 52.037 0.225 0.000 0.892 579 A CB 1.136 20.200 19.000 0.107 0.000 1.329 579 A HN 0.351 nan 8.150 nan 0.000 0.388 580 P HA 0.458 nan 4.420 nan 0.000 0.271 580 P C -0.167 177.088 177.300 -0.074 0.000 1.238 580 P CA -0.036 62.993 63.100 -0.118 0.000 0.794 580 P CB 0.533 32.279 31.700 0.077 0.000 0.959 581 R N -0.701 119.758 120.500 -0.068 0.000 2.709 581 R HA 0.329 4.669 4.340 -0.001 0.000 0.270 581 R C -1.300 174.927 176.300 -0.122 0.000 1.038 581 R CA -0.791 55.262 56.100 -0.077 0.000 0.872 581 R CB 1.365 31.606 30.300 -0.099 0.000 1.259 581 R HN 0.291 nan 8.270 nan 0.000 0.473 582 K N 2.353 122.683 120.400 -0.116 0.000 2.159 582 K HA 0.255 4.575 4.320 -0.001 0.000 0.266 582 K C 0.160 176.663 176.600 -0.163 0.000 0.975 582 K CA -0.534 55.657 56.287 -0.161 0.000 0.865 582 K CB 1.761 34.208 32.500 -0.088 0.000 1.087 582 K HN 0.305 nan 8.250 nan 0.000 0.446 583 L N 3.256 124.350 121.223 -0.215 0.000 2.513 583 L HA 0.251 4.590 4.340 -0.001 0.000 0.222 583 L C -0.561 176.331 176.870 0.037 0.000 1.096 583 L CA 0.889 55.658 54.840 -0.119 0.000 0.857 583 L CB -0.067 41.879 42.059 -0.189 0.000 1.026 583 L HN 0.726 nan 8.230 nan 0.000 0.469 584 Y N 0.000 120.206 120.300 -0.157 0.000 2.660 584 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.041 58.100 -0.099 0.000 1.940 584 Y CB 0.000 38.404 38.460 -0.092 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758