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 1h4s_1_A DATA FIRST_RESID 5 DATA SEQUENCE KGLTPQSQDF SEWYLEVIQK AELADYGPVR GTIVVRPYGY AIWENIQQVL DATA SEQUENCE DRMFKETGHQ NAYFPLFIPM SFLRKEAEHV EGFSPELAVV THAGGEELEE DATA SEQUENCE PLAVRPTSET VIGYMWSKWI RSWRDLPQLL NQWGNVVRWE MRTRPFLRTS DATA SEQUENCE EFLWQEGHTA HATREEAEEE VRRMLSIYAR LAREYAAIPV IEGLKTEKEK DATA SEQUENCE FAGAVYTTTI EALMKDGKAL QAGTSHYLGE NFARAFDIKF QDRDLQVKYV DATA SEQUENCE HTTSWGLSWR FIGAIIMTHG DDRGLVLPPR LAPIQVVIVP IYKDESRERV DATA SEQUENCE LEAAQGLRQA LLAQGLRVHL DDRDQHTPGY KFHEWELKGV PFRVELGPKD DATA SEQUENCE LEGGQAVLAS RLGGKETLPL AALPEALPGK LDAFHEELYR RALAFREDHT DATA SEQUENCE RKVDTYEAFK EAVQEGFALA FHCGDKACER LIQEETTATT RCVPFEAEPE DATA SEQUENCE EGFCVRCGRP SAYGKRVVFA KAY 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.575 176.600 -0.042 0.000 0.988 5 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 5 K CB 0.000 32.432 32.500 -0.113 0.000 1.064 6 G N 2.687 111.467 108.800 -0.033 0.000 4.477 6 G HA2 0.295 4.255 3.960 -0.000 0.000 0.319 6 G HA3 0.295 4.255 3.960 -0.000 0.000 0.319 6 G C -0.702 174.191 174.900 -0.012 0.000 1.391 6 G CA -0.538 44.551 45.100 -0.017 0.000 1.261 6 G HN 0.374 nan 8.290 nan 0.000 0.556 7 L N 2.679 123.903 121.223 0.002 0.000 2.288 7 L HA 0.334 4.674 4.340 -0.000 0.000 0.283 7 L C 0.248 177.177 176.870 0.099 0.000 1.072 7 L CA -0.092 54.764 54.840 0.028 0.000 0.862 7 L CB 0.101 42.181 42.059 0.035 0.000 1.245 7 L HN 0.119 nan 8.230 nan 0.000 0.432 8 T N 7.237 121.848 114.554 0.096 0.000 2.709 8 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 8 T C -2.163 172.669 174.700 0.220 0.000 1.008 8 T CA -0.407 61.773 62.100 0.133 0.000 1.194 8 T CB -0.168 68.774 68.868 0.124 0.000 0.986 8 T HN 0.477 nan 8.240 nan 0.000 0.508 9 P HA 0.052 nan 4.420 nan 0.000 0.268 9 P C 0.664 178.002 177.300 0.063 0.000 1.205 9 P CA -0.150 63.007 63.100 0.096 0.000 0.771 9 P CB 0.812 32.543 31.700 0.052 0.000 0.858 10 Q N 1.663 121.395 119.800 -0.114 0.000 2.181 10 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 10 Q C 2.090 178.141 176.000 0.086 0.000 0.980 10 Q CA 2.184 57.922 55.803 -0.108 0.000 0.862 10 Q CB -0.487 28.034 28.738 -0.361 0.000 0.905 10 Q HN 0.627 nan 8.270 nan 0.000 0.429 11 S N 0.095 115.813 115.700 0.030 0.000 2.428 11 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 11 S C 1.920 176.555 174.600 0.057 0.000 1.014 11 S CA 1.064 59.287 58.200 0.040 0.000 0.957 11 S CB -0.083 63.127 63.200 0.017 0.000 0.784 11 S HN 0.398 nan 8.310 nan 0.000 0.499 12 Q N 1.159 121.001 119.800 0.069 0.000 2.033 12 Q HA -0.003 4.337 4.340 -0.000 0.000 0.196 12 Q C -0.443 175.615 176.000 0.096 0.000 0.970 12 Q CA 1.396 57.241 55.803 0.071 0.000 0.828 12 Q CB 0.282 29.061 28.738 0.067 0.000 0.895 12 Q HN 0.487 nan 8.270 nan 0.000 0.440 13 D N -0.847 119.635 120.400 0.137 0.000 2.474 13 D HA 0.035 4.675 4.640 -0.000 0.000 0.234 13 D C -0.425 176.029 176.300 0.257 0.000 1.323 13 D CA -0.343 53.760 54.000 0.171 0.000 0.915 13 D CB -0.158 40.721 40.800 0.132 0.000 1.487 13 D HN 0.132 nan 8.370 nan 0.000 0.524 14 F N 2.220 122.247 119.950 0.128 0.000 2.063 14 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 14 F C 2.195 178.191 175.800 0.327 0.000 1.109 14 F CA 2.077 60.196 58.000 0.198 0.000 1.212 14 F CB -0.136 38.927 39.000 0.106 0.000 0.973 14 F HN 0.302 nan 8.300 nan 0.000 0.480 15 S N -0.215 115.711 115.700 0.376 0.000 2.374 15 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 15 S C 1.906 176.639 174.600 0.221 0.000 1.037 15 S CA 1.527 59.902 58.200 0.292 0.000 1.024 15 S CB -0.386 62.961 63.200 0.245 0.000 0.861 15 S HN 0.401 nan 8.310 nan 0.000 0.456 16 E N 0.034 120.343 120.200 0.181 0.000 2.072 16 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 16 E C 1.582 178.232 176.600 0.083 0.000 0.985 16 E CA 0.630 57.100 56.400 0.118 0.000 0.801 16 E CB -0.375 29.387 29.700 0.104 0.000 0.750 16 E HN 0.742 nan 8.360 nan 0.000 0.452 17 W N 0.951 122.216 121.300 -0.058 0.000 2.317 17 W HA -0.316 4.343 4.660 -0.000 0.000 0.318 17 W C 2.256 178.689 176.519 -0.144 0.000 1.227 17 W CA 2.306 59.575 57.345 -0.126 0.000 1.269 17 W CB -0.963 28.367 29.460 -0.217 0.000 1.155 17 W HN 0.173 nan 8.180 nan 0.000 0.484 18 Y N 0.382 120.500 120.300 -0.303 0.000 2.030 18 Y HA -0.362 4.188 4.550 -0.000 0.000 0.274 18 Y C 2.347 178.007 175.900 -0.400 0.000 1.153 18 Y CA 2.465 60.274 58.100 -0.485 0.000 1.115 18 Y CB -0.882 37.468 38.460 -0.184 0.000 0.969 18 Y HN -0.074 nan 8.280 nan 0.000 0.488 19 L N 0.905 122.024 121.223 -0.173 0.000 2.043 19 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 19 L C 2.277 178.988 176.870 -0.266 0.000 1.075 19 L CA 2.007 56.728 54.840 -0.197 0.000 0.752 19 L CB -1.086 40.995 42.059 0.038 0.000 0.891 19 L HN 0.375 nan 8.230 nan 0.000 0.432 20 E N -1.386 118.660 120.200 -0.256 0.000 2.047 20 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 20 E C 2.323 178.708 176.600 -0.358 0.000 0.987 20 E CA 1.286 57.538 56.400 -0.248 0.000 0.799 20 E CB -0.435 29.151 29.700 -0.191 0.000 0.752 20 E HN 0.290 nan 8.360 nan 0.000 0.449 21 V N 1.566 121.127 119.914 -0.588 0.000 2.407 21 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 21 V C 2.064 177.889 176.094 -0.449 0.000 1.055 21 V CA 1.477 63.421 62.300 -0.593 0.000 1.049 21 V CB -0.274 30.963 31.823 -0.978 0.000 0.662 21 V HN 0.259 nan 8.190 nan 0.000 0.455 22 I N -0.435 119.824 120.570 -0.519 0.000 2.208 22 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 22 I C 2.538 178.492 176.117 -0.273 0.000 1.097 22 I CA 2.141 63.203 61.300 -0.397 0.000 1.363 22 I CB -0.283 37.412 38.000 -0.508 0.000 1.051 22 I HN 0.404 nan 8.210 nan 0.000 0.413 23 Q N 1.139 120.779 119.800 -0.266 0.000 2.020 23 Q HA -0.172 4.168 4.340 -0.000 0.000 0.198 23 Q C 2.151 178.062 176.000 -0.148 0.000 0.974 23 Q CA 1.611 57.305 55.803 -0.182 0.000 0.829 23 Q CB 0.083 28.746 28.738 -0.125 0.000 0.894 23 Q HN 0.303 nan 8.270 nan 0.000 0.433 24 K N -0.483 119.818 120.400 -0.166 0.000 2.148 24 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 24 K C 1.772 178.280 176.600 -0.154 0.000 1.050 24 K CA 1.019 57.216 56.287 -0.149 0.000 0.942 24 K CB -0.054 32.352 32.500 -0.156 0.000 0.724 24 K HN 0.201 nan 8.250 nan 0.000 0.446 25 A N 1.114 123.846 122.820 -0.147 0.000 2.238 25 A HA -0.055 4.265 4.320 -0.000 0.000 0.208 25 A C -0.037 177.521 177.584 -0.044 0.000 1.177 25 A CA 0.332 52.309 52.037 -0.099 0.000 0.804 25 A CB -0.225 18.756 19.000 -0.031 0.000 0.823 25 A HN 0.385 nan 8.150 nan 0.000 0.482 26 E N -2.099 118.062 120.200 -0.065 0.000 2.416 26 E HA -0.217 4.133 4.350 -0.000 0.000 0.249 26 E C 0.272 176.904 176.600 0.052 0.000 1.124 26 E CA 0.277 56.659 56.400 -0.031 0.000 0.732 26 E CB -1.575 28.098 29.700 -0.046 0.000 1.286 26 E HN 0.436 nan 8.360 nan 0.000 0.394 27 L N -0.703 120.540 121.223 0.033 0.000 2.095 27 L HA 0.187 4.527 4.340 -0.000 0.000 0.204 27 L C 1.066 177.958 176.870 0.036 0.000 1.080 27 L CA 2.199 57.083 54.840 0.073 0.000 0.759 27 L CB -0.066 42.011 42.059 0.030 0.000 0.914 27 L HN 0.399 nan 8.230 nan 0.000 0.439 28 A N -2.511 120.252 122.820 -0.095 0.000 2.557 28 A HA 0.629 4.949 4.320 -0.000 0.000 0.292 28 A C -1.758 175.655 177.584 -0.285 0.000 1.139 28 A CA -0.480 51.418 52.037 -0.232 0.000 0.665 28 A CB 1.263 19.972 19.000 -0.486 0.000 1.285 28 A HN -0.027 nan 8.150 nan 0.000 0.433 29 D N -1.712 118.494 120.400 -0.322 0.000 2.602 29 D HA 0.551 5.191 4.640 -0.000 0.000 0.236 29 D C -1.671 174.430 176.300 -0.333 0.000 1.209 29 D CA -0.189 53.641 54.000 -0.282 0.000 0.831 29 D CB 1.019 41.753 40.800 -0.111 0.000 1.478 29 D HN 0.330 nan 8.370 nan 0.000 0.438 30 Y N 0.283 120.511 120.300 -0.119 0.000 2.411 30 Y HA 0.475 5.025 4.550 0.000 0.000 0.333 30 Y C 1.435 177.292 175.900 -0.072 0.000 1.186 30 Y CA 0.197 58.234 58.100 -0.105 0.000 1.381 30 Y CB 0.973 39.382 38.460 -0.085 0.000 1.273 30 Y HN 0.280 nan 8.280 nan 0.000 0.546 31 G N 2.841 111.684 108.800 0.073 0.000 2.477 31 G HA2 0.302 4.262 3.960 -0.000 0.000 0.304 31 G HA3 0.302 4.262 3.960 -0.000 0.000 0.304 31 G C -1.533 173.407 174.900 0.065 0.000 1.175 31 G CA -1.338 43.792 45.100 0.050 0.000 0.907 31 G HN 0.477 nan 8.290 nan 0.000 0.509 32 P HA -0.090 nan 4.420 nan 0.000 0.215 32 P C 0.810 178.144 177.300 0.056 0.000 1.153 32 P CA 0.622 63.751 63.100 0.048 0.000 0.853 32 P CB 0.043 31.769 31.700 0.044 0.000 0.788 33 V N 1.988 121.945 119.914 0.071 0.000 2.775 33 V HA 0.084 4.204 4.120 -0.000 0.000 0.299 33 V C 1.320 177.444 176.094 0.050 0.000 1.062 33 V CA -0.761 61.595 62.300 0.094 0.000 1.063 33 V CB 0.241 32.153 31.823 0.148 0.000 0.994 33 V HN 0.137 nan 8.190 nan 0.000 0.483 34 R N 3.096 123.619 120.500 0.037 0.000 2.523 34 R HA 0.114 4.454 4.340 -0.000 0.000 0.281 34 R C 1.141 177.322 176.300 -0.198 0.000 0.969 34 R CA 1.082 57.145 56.100 -0.063 0.000 1.093 34 R CB -0.378 29.890 30.300 -0.053 0.000 0.917 34 R HN 1.224 nan 8.270 nan 0.000 0.408 35 G N 2.851 111.570 108.800 -0.135 0.000 2.155 35 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 35 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 35 G C 0.127 174.983 174.900 -0.074 0.000 0.983 35 G CA 0.824 45.839 45.100 -0.142 0.000 0.676 35 G HN 0.927 nan 8.290 nan 0.000 0.528 36 T N -1.398 113.140 114.554 -0.025 0.000 2.952 36 T HA 0.816 5.166 4.350 -0.000 0.000 0.286 36 T C 0.290 174.980 174.700 -0.016 0.000 1.024 36 T CA -0.344 61.767 62.100 0.018 0.000 1.029 36 T CB 2.572 71.469 68.868 0.049 0.000 1.094 36 T HN 1.376 nan 8.240 nan 0.000 0.515 37 I N -1.874 118.664 120.570 -0.053 0.000 3.074 37 I HA 0.833 5.003 4.170 -0.000 0.000 0.310 37 I C -1.585 174.440 176.117 -0.154 0.000 1.153 37 I CA -1.693 59.475 61.300 -0.220 0.000 0.993 37 I CB 2.310 39.992 38.000 -0.530 0.000 1.237 37 I HN 0.428 nan 8.210 nan 0.000 0.443 38 V N 3.754 123.548 119.914 -0.200 0.000 2.378 38 V HA 0.306 4.426 4.120 -0.000 0.000 0.288 38 V C -0.030 175.967 176.094 -0.161 0.000 1.016 38 V CA -0.662 61.572 62.300 -0.111 0.000 0.840 38 V CB 1.565 33.349 31.823 -0.066 0.000 0.994 38 V HN 0.522 nan 8.190 nan 0.000 0.431 39 V N 6.790 126.643 119.914 -0.102 0.000 2.405 39 V HA 0.314 4.434 4.120 -0.000 0.000 0.264 39 V C 0.774 176.894 176.094 0.044 0.000 1.048 39 V CA -0.371 61.901 62.300 -0.047 0.000 0.966 39 V CB 0.387 32.260 31.823 0.084 0.000 1.015 39 V HN 0.781 nan 8.190 nan 0.000 0.477 40 R N 5.199 125.719 120.500 0.033 0.000 2.615 40 R HA 0.218 4.558 4.340 -0.000 0.000 0.270 40 R C -1.409 174.972 176.300 0.135 0.000 1.081 40 R CA -1.361 54.773 56.100 0.055 0.000 1.154 40 R CB 0.126 30.446 30.300 0.034 0.000 1.063 40 R HN 0.361 nan 8.270 nan 0.000 0.519 41 P HA -0.307 nan 4.420 nan 0.000 0.218 41 P C 0.823 178.276 177.300 0.255 0.000 1.165 41 P CA 1.599 64.806 63.100 0.179 0.000 0.922 41 P CB -0.127 31.649 31.700 0.127 0.000 0.794 42 Y N -0.295 120.054 120.300 0.081 0.000 2.165 42 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 42 Y C 2.458 178.410 175.900 0.087 0.000 1.155 42 Y CA 1.568 59.712 58.100 0.072 0.000 1.164 42 Y CB -0.763 37.720 38.460 0.039 0.000 0.978 42 Y HN -0.094 nan 8.280 nan 0.000 0.513 43 G N -1.411 107.459 108.800 0.116 0.000 2.402 43 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.216 43 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.216 43 G C 1.377 176.341 174.900 0.107 0.000 1.162 43 G CA 0.799 45.917 45.100 0.030 0.000 0.777 43 G HN 0.552 nan 8.290 nan 0.000 0.539 44 Y N 1.956 122.322 120.300 0.110 0.000 2.352 44 Y HA 0.094 4.644 4.550 -0.000 0.000 0.292 44 Y C 2.852 178.859 175.900 0.177 0.000 1.136 44 Y CA 0.883 59.103 58.100 0.199 0.000 1.227 44 Y CB -0.060 38.508 38.460 0.180 0.000 0.991 44 Y HN 0.253 nan 8.280 nan 0.000 0.545 45 A N 0.220 123.142 122.820 0.171 0.000 1.933 45 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 45 A C 2.232 179.798 177.584 -0.030 0.000 1.175 45 A CA 1.865 53.947 52.037 0.074 0.000 0.628 45 A CB -0.978 18.063 19.000 0.069 0.000 0.814 45 A HN 0.541 nan 8.150 nan 0.000 0.444 46 I N -1.866 118.666 120.570 -0.064 0.000 2.179 46 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 46 I C 2.540 178.678 176.117 0.035 0.000 1.088 46 I CA 1.488 62.757 61.300 -0.051 0.000 1.357 46 I CB -0.401 37.542 38.000 -0.096 0.000 1.051 46 I HN 0.714 nan 8.210 nan 0.000 0.409 47 W N 2.476 123.669 121.300 -0.179 0.000 2.338 47 W HA -0.222 4.438 4.660 0.000 0.000 0.304 47 W C 2.202 178.560 176.519 -0.267 0.000 1.212 47 W CA 1.555 58.791 57.345 -0.182 0.000 1.264 47 W CB -0.007 29.301 29.460 -0.253 0.000 1.142 47 W HN 0.221 nan 8.180 nan 0.000 0.512 48 E N 0.043 120.032 120.200 -0.353 0.000 2.110 48 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 48 E C 1.724 178.107 176.600 -0.363 0.000 0.988 48 E CA 1.229 57.386 56.400 -0.405 0.000 0.804 48 E CB -0.434 29.153 29.700 -0.189 0.000 0.745 48 E HN 0.256 nan 8.360 nan 0.000 0.458 49 N N 0.935 119.496 118.700 -0.232 0.000 2.188 49 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 49 N C 1.894 177.245 175.510 -0.265 0.000 1.018 49 N CA 0.833 53.770 53.050 -0.189 0.000 0.858 49 N CB -0.132 38.305 38.487 -0.083 0.000 0.989 49 N HN 0.209 nan 8.380 nan 0.000 0.426 50 I N 1.312 121.697 120.570 -0.307 0.000 2.315 50 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 50 I C 2.275 178.062 176.117 -0.550 0.000 1.117 50 I CA 0.979 62.054 61.300 -0.374 0.000 1.404 50 I CB -0.213 37.597 38.000 -0.318 0.000 1.071 50 I HN 0.143 nan 8.210 nan 0.000 0.419 51 Q N 0.386 119.701 119.800 -0.809 0.000 2.050 51 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 51 Q C 2.286 177.903 176.000 -0.637 0.000 0.980 51 Q CA 1.581 56.769 55.803 -1.024 0.000 0.840 51 Q CB -0.180 27.733 28.738 -1.375 0.000 0.898 51 Q HN 0.573 nan 8.270 nan 0.000 0.424 52 Q N -0.186 119.323 119.800 -0.485 0.000 2.061 52 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 52 Q C 2.254 178.074 176.000 -0.299 0.000 0.984 52 Q CA 1.637 57.244 55.803 -0.327 0.000 0.846 52 Q CB -0.099 28.495 28.738 -0.241 0.000 0.902 52 Q HN 0.216 nan 8.270 nan 0.000 0.421 53 V N 1.125 120.822 119.914 -0.362 0.000 2.237 53 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 53 V C 2.260 178.083 176.094 -0.452 0.000 1.046 53 V CA 1.615 63.640 62.300 -0.458 0.000 1.007 53 V CB -0.606 30.783 31.823 -0.724 0.000 0.638 53 V HN 0.352 nan 8.190 nan 0.000 0.445 54 L N -0.087 120.849 121.223 -0.478 0.000 2.012 54 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 54 L C 2.532 178.919 176.870 -0.806 0.000 1.073 54 L CA 2.105 56.532 54.840 -0.689 0.000 0.748 54 L CB -0.764 40.942 42.059 -0.587 0.000 0.891 54 L HN 0.479 nan 8.230 nan 0.000 0.431 55 D N 0.173 120.391 120.400 -0.303 0.000 2.123 55 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 55 D C 2.273 178.559 176.300 -0.023 0.000 0.992 55 D CA 1.254 55.255 54.000 0.002 0.000 0.833 55 D CB 0.136 40.992 40.800 0.093 0.000 0.954 55 D HN 0.253 nan 8.370 nan 0.000 0.455 56 R N 0.167 120.601 120.500 -0.110 0.000 2.081 56 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 56 R C 2.501 178.779 176.300 -0.035 0.000 1.131 56 R CA 1.149 57.215 56.100 -0.057 0.000 0.960 56 R CB -0.240 30.007 30.300 -0.088 0.000 0.856 56 R HN 0.190 nan 8.270 nan 0.000 0.436 57 M N -0.027 119.495 119.600 -0.130 0.000 2.175 57 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 57 M C 1.855 178.217 176.300 0.104 0.000 1.063 57 M CA 1.364 56.621 55.300 -0.072 0.000 1.119 57 M CB -0.251 32.244 32.600 -0.176 0.000 1.377 57 M HN 0.103 nan 8.290 nan 0.000 0.415 58 F N 0.777 120.720 119.950 -0.013 0.000 2.146 58 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 58 F C 2.488 178.395 175.800 0.178 0.000 1.096 58 F CA 1.159 59.154 58.000 -0.008 0.000 1.275 58 F CB -1.153 37.855 39.000 0.013 0.000 1.008 58 F HN 0.122 nan 8.300 nan 0.000 0.480 59 K N 0.706 121.307 120.400 0.337 0.000 2.097 59 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 59 K C 1.698 178.400 176.600 0.169 0.000 1.050 59 K CA 1.522 57.951 56.287 0.237 0.000 0.938 59 K CB -0.098 32.501 32.500 0.164 0.000 0.718 59 K HN 0.266 nan 8.250 nan 0.000 0.442 60 E N -0.336 119.944 120.200 0.134 0.000 2.338 60 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 60 E C 0.853 177.510 176.600 0.095 0.000 1.007 60 E CA 1.366 57.819 56.400 0.088 0.000 0.849 60 E CB 0.119 29.853 29.700 0.056 0.000 0.774 60 E HN 0.417 nan 8.360 nan 0.000 0.506 61 T N -2.615 112.038 114.554 0.165 0.000 3.251 61 T HA 0.389 4.739 4.350 -0.000 0.000 0.259 61 T C 1.221 175.955 174.700 0.057 0.000 0.998 61 T CA 0.016 62.201 62.100 0.142 0.000 0.905 61 T CB 0.570 69.569 68.868 0.218 0.000 1.067 61 T HN 0.199 nan 8.240 nan 0.000 0.569 62 G N 1.439 110.278 108.800 0.064 0.000 2.153 62 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 62 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 62 G C -0.170 174.686 174.900 -0.073 0.000 0.994 62 G CA 0.199 45.284 45.100 -0.024 0.000 0.698 62 G HN 0.761 nan 8.290 nan 0.000 0.521 63 H N -0.137 118.999 119.070 0.110 0.000 2.505 63 H HA 0.695 5.251 4.556 0.000 0.000 0.355 63 H C 0.612 176.024 175.328 0.140 0.000 1.179 63 H CA 0.148 56.275 56.048 0.132 0.000 1.343 63 H CB 0.740 30.592 29.762 0.150 0.000 1.501 63 H HN 0.447 nan 8.280 nan 0.000 0.569 64 Q N 1.169 121.120 119.800 0.251 0.000 2.372 64 Q HA 0.337 4.677 4.340 -0.000 0.000 0.273 64 Q C -0.697 175.419 176.000 0.193 0.000 1.078 64 Q CA -1.243 54.675 55.803 0.191 0.000 0.806 64 Q CB 2.220 31.033 28.738 0.124 0.000 1.332 64 Q HN 0.576 nan 8.270 nan 0.000 0.435 65 N N 0.533 119.351 118.700 0.196 0.000 2.483 65 N HA 0.674 5.414 4.740 -0.000 0.000 0.269 65 N C -0.899 174.698 175.510 0.145 0.000 1.209 65 N CA 0.123 53.292 53.050 0.198 0.000 0.969 65 N CB 1.469 40.124 38.487 0.280 0.000 1.173 65 N HN 0.709 nan 8.380 nan 0.000 0.475 66 A N 0.413 123.315 122.820 0.136 0.000 2.557 66 A HA 0.590 4.910 4.320 -0.000 0.000 0.292 66 A C -2.151 175.478 177.584 0.075 0.000 1.139 66 A CA -0.536 51.523 52.037 0.036 0.000 0.665 66 A CB 1.156 20.118 19.000 -0.063 0.000 1.285 66 A HN 0.563 nan 8.150 nan 0.000 0.433 67 Y N 0.072 120.220 120.300 -0.253 0.000 2.332 67 Y HA 0.658 5.208 4.550 -0.000 0.000 0.325 67 Y C -1.729 173.971 175.900 -0.333 0.000 1.054 67 Y CA -1.106 56.900 58.100 -0.157 0.000 1.119 67 Y CB 1.034 39.461 38.460 -0.054 0.000 1.168 67 Y HN 0.565 nan 8.280 nan 0.000 0.439 68 F N 6.120 125.691 119.950 -0.631 0.000 2.450 68 F HA 0.654 5.181 4.527 0.000 0.000 0.328 68 F C -1.859 173.534 175.800 -0.678 0.000 1.068 68 F CA -2.470 55.235 58.000 -0.493 0.000 1.007 68 F CB 0.550 39.301 39.000 -0.414 0.000 1.251 68 F HN 0.406 nan 8.300 nan 0.000 0.492 69 P HA -0.057 nan 4.420 nan 0.000 0.266 69 P C 0.485 177.670 177.300 -0.191 0.000 1.193 69 P CA 0.067 63.064 63.100 -0.171 0.000 0.770 69 P CB 0.581 32.228 31.700 -0.087 0.000 0.836 70 L N 3.112 124.219 121.223 -0.193 0.000 2.095 70 L HA 0.194 4.534 4.340 -0.000 0.000 0.204 70 L C 0.482 177.335 176.870 -0.028 0.000 1.080 70 L CA 1.196 55.930 54.840 -0.177 0.000 0.759 70 L CB -0.439 41.425 42.059 -0.324 0.000 0.914 70 L HN 0.205 nan 8.230 nan 0.000 0.439 71 F N 0.869 120.766 119.950 -0.088 0.000 2.410 71 F HA 0.365 4.892 4.527 0.000 0.000 0.348 71 F C 0.074 175.768 175.800 -0.177 0.000 1.106 71 F CA -0.846 57.084 58.000 -0.117 0.000 1.163 71 F CB 0.797 39.733 39.000 -0.107 0.000 1.129 71 F HN -0.209 nan 8.300 nan 0.000 0.516 72 I N 4.758 125.330 120.570 0.003 0.000 2.436 72 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 72 I C -2.514 173.451 176.117 -0.253 0.000 1.010 72 I CA -2.520 58.677 61.300 -0.171 0.000 1.098 72 I CB 2.094 40.039 38.000 -0.092 0.000 1.266 72 I HN 0.230 nan 8.210 nan 0.000 0.434 73 P HA 0.069 nan 4.420 nan 0.000 0.263 73 P C 0.619 177.809 177.300 -0.183 0.000 1.195 73 P CA -0.148 62.697 63.100 -0.424 0.000 0.762 73 P CB 0.560 31.798 31.700 -0.769 0.000 0.799 74 M N 4.184 123.728 119.600 -0.094 0.000 2.143 74 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 74 M C 1.862 178.208 176.300 0.076 0.000 1.071 74 M CA 2.326 57.621 55.300 -0.009 0.000 1.088 74 M CB -1.128 31.455 32.600 -0.028 0.000 1.360 74 M HN 0.411 nan 8.290 nan 0.000 0.404 75 S N -0.649 115.111 115.700 0.100 0.000 2.383 75 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 75 S C 1.865 176.653 174.600 0.313 0.000 1.030 75 S CA 1.247 59.553 58.200 0.177 0.000 1.002 75 S CB -1.169 62.142 63.200 0.186 0.000 0.829 75 S HN 0.427 nan 8.310 nan 0.000 0.467 76 F N 2.154 122.148 119.950 0.074 0.000 2.095 76 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 76 F C 2.257 178.207 175.800 0.250 0.000 1.104 76 F CA 0.236 58.359 58.000 0.206 0.000 1.232 76 F CB -1.037 38.060 39.000 0.162 0.000 0.987 76 F HN 0.180 nan 8.300 nan 0.000 0.475 77 L N -0.646 120.806 121.223 0.383 0.000 2.261 77 L HA -0.211 4.129 4.340 -0.000 0.000 0.216 77 L C 2.321 179.337 176.870 0.244 0.000 1.114 77 L CA 1.164 56.200 54.840 0.326 0.000 0.777 77 L CB -0.495 41.693 42.059 0.214 0.000 0.910 77 L HN 0.118 nan 8.230 nan 0.000 0.440 78 R N -0.280 120.317 120.500 0.163 0.000 2.161 78 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 78 R C 2.012 178.308 176.300 -0.008 0.000 1.055 78 R CA 0.315 56.459 56.100 0.073 0.000 0.996 78 R CB -0.009 30.320 30.300 0.048 0.000 0.901 78 R HN 0.239 nan 8.270 nan 0.000 0.456 79 K N 0.612 120.971 120.400 -0.068 0.000 2.442 79 K HA -0.090 4.230 4.320 -0.000 0.000 0.199 79 K C 0.371 176.790 176.600 -0.301 0.000 1.044 79 K CA 0.789 56.902 56.287 -0.290 0.000 0.941 79 K CB 0.135 32.209 32.500 -0.709 0.000 0.759 79 K HN 0.019 nan 8.250 nan 0.000 0.472 80 E N -0.248 119.856 120.200 -0.159 0.000 2.235 80 E HA 0.210 4.560 4.350 -0.000 0.000 0.252 80 E C -0.022 176.539 176.600 -0.065 0.000 0.886 80 E CA -0.210 56.065 56.400 -0.209 0.000 0.767 80 E CB 1.508 30.983 29.700 -0.376 0.000 1.205 80 E HN 0.074 nan 8.360 nan 0.000 0.421 81 A N 4.649 127.415 122.820 -0.090 0.000 1.849 81 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 81 A C 1.677 179.253 177.584 -0.013 0.000 1.225 81 A CA 2.113 54.123 52.037 -0.045 0.000 0.653 81 A CB -0.517 18.447 19.000 -0.059 0.000 0.844 81 A HN 0.749 nan 8.150 nan 0.000 0.453 82 E N -1.813 118.370 120.200 -0.028 0.000 2.114 82 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 82 E C 1.993 178.596 176.600 0.006 0.000 1.008 82 E CA 1.735 58.122 56.400 -0.022 0.000 0.810 82 E CB -0.346 29.337 29.700 -0.027 0.000 0.739 82 E HN 0.815 nan 8.360 nan 0.000 0.456 83 H N 0.178 119.227 119.070 -0.035 0.000 2.290 83 H HA -0.115 4.441 4.556 0.000 0.000 0.298 83 H C 2.087 177.516 175.328 0.168 0.000 1.087 83 H CA 1.751 57.855 56.048 0.093 0.000 1.291 83 H CB -0.364 29.529 29.762 0.219 0.000 1.369 83 H HN 0.045 nan 8.280 nan 0.000 0.492 84 V N 0.629 120.649 119.914 0.175 0.000 2.626 84 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 84 V C 1.621 177.738 176.094 0.037 0.000 1.067 84 V CA 2.165 64.534 62.300 0.115 0.000 1.081 84 V CB -0.321 31.570 31.823 0.112 0.000 0.686 84 V HN 0.565 nan 8.190 nan 0.000 0.468 85 E N 0.105 120.301 120.200 -0.006 0.000 2.152 85 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 85 E C 2.115 178.656 176.600 -0.099 0.000 0.983 85 E CA 1.097 57.474 56.400 -0.039 0.000 0.818 85 E CB -0.419 29.256 29.700 -0.041 0.000 0.758 85 E HN 0.671 nan 8.360 nan 0.000 0.467 86 G N -0.435 108.242 108.800 -0.204 0.000 2.623 86 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 86 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 86 G C 0.992 175.574 174.900 -0.530 0.000 1.138 86 G CA 0.055 44.917 45.100 -0.396 0.000 0.794 86 G HN 0.099 nan 8.290 nan 0.000 0.535 87 F N 0.012 119.877 119.950 -0.141 0.000 2.653 87 F HA 0.238 4.765 4.527 0.000 0.000 0.288 87 F C 2.652 178.429 175.800 -0.039 0.000 1.121 87 F CA 0.381 58.321 58.000 -0.100 0.000 1.384 87 F CB -0.169 38.724 39.000 -0.178 0.000 1.115 87 F HN 0.119 nan 8.300 nan 0.000 0.599 88 S N 1.028 116.800 115.700 0.120 0.000 2.399 88 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 88 S C -0.339 174.303 174.600 0.071 0.000 1.063 88 S CA 2.243 60.491 58.200 0.080 0.000 1.070 88 S CB -1.115 62.111 63.200 0.043 0.000 0.904 88 S HN 0.144 nan 8.310 nan 0.000 0.456 89 P HA -0.081 nan 4.420 nan 0.000 0.216 89 P C 0.658 178.027 177.300 0.116 0.000 1.153 89 P CA 1.243 64.384 63.100 0.068 0.000 0.848 89 P CB -0.193 31.535 31.700 0.047 0.000 0.787 90 E N -0.453 119.841 120.200 0.156 0.000 2.335 90 E HA 0.135 4.485 4.350 -0.000 0.000 0.191 90 E C -0.152 176.591 176.600 0.239 0.000 1.077 90 E CA -0.132 56.407 56.400 0.232 0.000 1.010 90 E CB -0.541 29.304 29.700 0.241 0.000 1.141 90 E HN 0.257 nan 8.360 nan 0.000 0.452 91 L N 1.356 122.666 121.223 0.145 0.000 2.357 91 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 91 L C 0.123 176.982 176.870 -0.018 0.000 1.080 91 L CA -0.882 54.005 54.840 0.078 0.000 0.803 91 L CB 1.406 43.487 42.059 0.038 0.000 1.174 91 L HN 0.136 nan 8.230 nan 0.000 0.443 92 A N 3.019 125.810 122.820 -0.049 0.000 2.317 92 A HA 0.743 5.063 4.320 -0.000 0.000 0.327 92 A C -0.715 176.775 177.584 -0.157 0.000 1.178 92 A CA -0.464 51.455 52.037 -0.197 0.000 0.817 92 A CB 1.294 20.203 19.000 -0.150 0.000 1.189 92 A HN 0.407 nan 8.150 nan 0.000 0.489 93 V N 2.837 122.631 119.914 -0.200 0.000 2.588 93 V HA 0.374 4.494 4.120 -0.000 0.000 0.304 93 V C -0.254 175.715 176.094 -0.209 0.000 1.042 93 V CA -0.651 61.539 62.300 -0.184 0.000 0.877 93 V CB 1.706 33.439 31.823 -0.149 0.000 0.996 93 V HN 0.642 nan 8.190 nan 0.000 0.425 94 V N 4.379 124.123 119.914 -0.283 0.000 2.406 94 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 94 V C 1.118 177.072 176.094 -0.233 0.000 1.043 94 V CA 0.591 62.706 62.300 -0.308 0.000 0.915 94 V CB 1.160 32.620 31.823 -0.605 0.000 0.988 94 V HN 1.133 nan 8.190 nan 0.000 0.466 95 T N 0.341 114.814 114.554 -0.136 0.000 3.028 95 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 95 T C 0.481 175.162 174.700 -0.032 0.000 0.979 95 T CA 0.105 62.153 62.100 -0.086 0.000 1.004 95 T CB -0.034 68.800 68.868 -0.056 0.000 1.120 95 T HN 0.589 nan 8.240 nan 0.000 0.482 96 H N 1.283 120.290 119.070 -0.105 0.000 2.458 96 H HA 0.739 5.295 4.556 0.000 0.000 0.330 96 H C -0.883 174.401 175.328 -0.074 0.000 1.111 96 H CA 0.012 56.015 56.048 -0.075 0.000 1.245 96 H CB 1.346 31.073 29.762 -0.058 0.000 1.456 96 H HN 0.569 nan 8.280 nan 0.000 0.488 97 A N 2.561 125.111 122.820 -0.452 0.000 2.512 97 A HA 0.494 4.814 4.320 -0.000 0.000 0.294 97 A C 0.619 178.031 177.584 -0.288 0.000 1.054 97 A CA -0.203 51.679 52.037 -0.259 0.000 0.756 97 A CB 0.351 19.266 19.000 -0.141 0.000 1.293 97 A HN 1.456 nan 8.150 nan 0.000 0.395 98 G N 0.606 109.301 108.800 -0.176 0.000 2.166 98 G HA2 0.164 4.124 3.960 -0.000 0.000 0.260 98 G HA3 0.164 4.124 3.960 -0.000 0.000 0.260 98 G C 1.650 176.461 174.900 -0.148 0.000 0.986 98 G CA 1.726 46.755 45.100 -0.118 0.000 0.683 98 G HN 2.985 nan 8.290 nan 0.000 0.527 99 G N -1.382 107.246 108.800 -0.288 0.000 2.313 99 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 99 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 99 G C 0.247 175.023 174.900 -0.206 0.000 1.023 99 G CA 0.868 45.884 45.100 -0.140 0.000 0.626 99 G HN 1.014 nan 8.290 nan 0.000 0.503 100 E N 0.457 120.489 120.200 -0.280 0.000 2.267 100 E HA 0.609 4.959 4.350 -0.000 0.000 0.258 100 E C -0.590 175.881 176.600 -0.215 0.000 1.074 100 E CA -0.794 55.513 56.400 -0.155 0.000 0.915 100 E CB 1.132 30.777 29.700 -0.091 0.000 1.186 100 E HN 0.140 nan 8.360 nan 0.000 0.439 101 E N 0.867 121.033 120.200 -0.055 0.000 2.249 101 E HA 0.213 4.563 4.350 -0.000 0.000 0.280 101 E C -0.868 175.695 176.600 -0.063 0.000 1.016 101 E CA -0.300 56.086 56.400 -0.023 0.000 0.830 101 E CB 0.665 30.380 29.700 0.026 0.000 1.081 101 E HN 0.283 nan 8.360 nan 0.000 0.395 102 L N 3.788 124.964 121.223 -0.078 0.000 2.461 102 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 102 L C 1.582 178.415 176.870 -0.061 0.000 1.197 102 L CA 0.084 54.873 54.840 -0.084 0.000 0.836 102 L CB 0.448 42.441 42.059 -0.111 0.000 1.105 102 L HN 0.735 nan 8.230 nan 0.000 0.477 103 E N 1.117 121.284 120.200 -0.055 0.000 2.017 103 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 103 E C 0.346 176.919 176.600 -0.045 0.000 0.997 103 E CA 1.223 57.598 56.400 -0.041 0.000 0.804 103 E CB 0.163 29.843 29.700 -0.033 0.000 0.757 103 E HN 0.532 nan 8.360 nan 0.000 0.448 104 E N 1.211 121.375 120.200 -0.060 0.000 2.187 104 E HA 0.195 4.545 4.350 -0.000 0.000 0.268 104 E C -2.534 174.008 176.600 -0.096 0.000 0.896 104 E CA -2.760 53.601 56.400 -0.065 0.000 0.766 104 E CB 1.489 31.151 29.700 -0.062 0.000 1.142 104 E HN -0.124 nan 8.360 nan 0.000 0.408 105 P HA 0.060 nan 4.420 nan 0.000 0.268 105 P C -0.652 176.549 177.300 -0.164 0.000 1.205 105 P CA 0.100 63.124 63.100 -0.127 0.000 0.771 105 P CB 0.764 32.403 31.700 -0.101 0.000 0.858 106 L N 2.115 123.192 121.223 -0.243 0.000 2.309 106 L HA 0.578 4.918 4.340 -0.000 0.000 0.282 106 L C 0.737 177.437 176.870 -0.284 0.000 1.036 106 L CA -0.935 53.724 54.840 -0.301 0.000 0.806 106 L CB 1.459 43.224 42.059 -0.490 0.000 1.220 106 L HN 0.393 nan 8.230 nan 0.000 0.429 107 A N 3.283 125.996 122.820 -0.178 0.000 2.301 107 A HA 0.606 4.926 4.320 -0.000 0.000 0.312 107 A C -0.318 177.246 177.584 -0.034 0.000 1.182 107 A CA -0.507 51.466 52.037 -0.107 0.000 0.826 107 A CB 1.056 20.023 19.000 -0.054 0.000 1.134 107 A HN 0.426 nan 8.150 nan 0.000 0.501 108 V N 4.283 124.197 119.914 0.000 0.000 2.470 108 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 108 V C 1.108 177.219 176.094 0.028 0.000 1.040 108 V CA -0.392 61.976 62.300 0.114 0.000 1.008 108 V CB 0.282 32.171 31.823 0.110 0.000 0.990 108 V HN 1.025 nan 8.190 nan 0.000 0.477 109 R N 7.472 127.980 120.500 0.013 0.000 2.494 109 R HA 0.009 4.349 4.340 -0.000 0.000 0.291 109 R C -2.038 174.184 176.300 -0.130 0.000 0.953 109 R CA -0.336 55.726 56.100 -0.063 0.000 1.098 109 R CB 0.146 30.403 30.300 -0.072 0.000 0.911 109 R HN 0.485 nan 8.270 nan 0.000 0.407 110 P HA 0.076 nan 4.420 nan 0.000 0.251 110 P C -0.132 177.004 177.300 -0.274 0.000 1.198 110 P CA 0.360 63.316 63.100 -0.239 0.000 0.847 110 P CB 0.951 32.479 31.700 -0.288 0.000 1.082 111 T N -1.898 112.552 114.554 -0.173 0.000 2.831 111 T HA 0.285 4.635 4.350 -0.000 0.000 0.333 111 T C -0.439 174.283 174.700 0.037 0.000 1.684 111 T CA -0.160 62.010 62.100 0.117 0.000 1.049 111 T CB 0.503 69.477 68.868 0.175 0.000 1.518 111 T HN -0.318 nan 8.240 nan 0.000 0.491 112 S N 1.548 117.261 115.700 0.021 0.000 2.554 112 S HA 0.146 4.616 4.470 -0.000 0.000 0.226 112 S C 1.370 175.611 174.600 -0.599 0.000 0.980 112 S CA -0.132 57.893 58.200 -0.293 0.000 0.939 112 S CB 0.152 63.099 63.200 -0.421 0.000 0.832 112 S HN 0.717 nan 8.310 nan 0.000 0.486 113 E N 1.950 121.895 120.200 -0.425 0.000 2.086 113 E HA -0.191 4.159 4.350 -0.000 0.000 0.200 113 E C 2.384 178.555 176.600 -0.716 0.000 1.012 113 E CA 2.203 58.168 56.400 -0.725 0.000 0.812 113 E CB -0.704 28.347 29.700 -1.080 0.000 0.743 113 E HN 0.695 nan 8.360 nan 0.000 0.453 114 T N -1.210 113.108 114.554 -0.394 0.000 2.622 114 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 114 T C 2.076 176.383 174.700 -0.654 0.000 1.047 114 T CA 1.688 63.539 62.100 -0.414 0.000 1.159 114 T CB -0.960 68.003 68.868 0.159 0.000 0.863 114 T HN 0.023 nan 8.240 nan 0.000 0.422 115 V N 1.922 121.628 119.914 -0.346 0.000 2.392 115 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 115 V C 2.738 178.495 176.094 -0.561 0.000 1.059 115 V CA 1.685 63.823 62.300 -0.269 0.000 1.051 115 V CB -0.824 30.855 31.823 -0.240 0.000 0.658 115 V HN 0.512 nan 8.190 nan 0.000 0.455 116 I N 0.621 120.590 120.570 -1.002 0.000 2.315 116 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 116 I C 2.585 178.030 176.117 -1.120 0.000 1.117 116 I CA 1.440 61.862 61.300 -1.463 0.000 1.404 116 I CB -0.909 35.873 38.000 -2.030 0.000 1.071 116 I HN 0.408 nan 8.210 nan 0.000 0.419 117 G N 0.363 108.629 108.800 -0.890 0.000 2.459 117 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 117 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 117 G C 1.611 176.245 174.900 -0.444 0.000 1.183 117 G CA 0.795 45.558 45.100 -0.561 0.000 0.776 117 G HN 0.337 nan 8.290 nan 0.000 0.552 118 Y N 0.945 120.768 120.300 -0.795 0.000 2.081 118 Y HA -0.245 4.305 4.550 0.000 0.000 0.280 118 Y C 2.892 178.600 175.900 -0.320 0.000 1.163 118 Y CA 2.304 60.161 58.100 -0.404 0.000 1.135 118 Y CB -0.113 38.183 38.460 -0.274 0.000 0.970 118 Y HN 0.094 nan 8.280 nan 0.000 0.498 119 M N -1.359 118.006 119.600 -0.392 0.000 2.117 119 M HA -0.267 4.213 4.480 -0.000 0.000 0.262 119 M C 1.980 177.750 176.300 -0.884 0.000 1.065 119 M CA 1.235 56.051 55.300 -0.808 0.000 1.114 119 M CB -1.781 30.212 32.600 -1.012 0.000 1.361 119 M HN 0.490 nan 8.290 nan 0.000 0.408 120 W N 0.707 121.629 121.300 -0.629 0.000 2.342 120 W HA -0.118 4.542 4.660 -0.000 0.000 0.297 120 W C 2.911 179.313 176.519 -0.194 0.000 1.213 120 W CA 1.463 58.621 57.345 -0.312 0.000 1.251 120 W CB -1.582 27.773 29.460 -0.174 0.000 1.136 120 W HN 0.304 nan 8.180 nan 0.000 0.526 121 S N 0.659 116.364 115.700 0.008 0.000 2.380 121 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 121 S C 1.827 176.402 174.600 -0.040 0.000 1.043 121 S CA 2.374 60.569 58.200 -0.009 0.000 1.038 121 S CB -0.254 62.895 63.200 -0.085 0.000 0.872 121 S HN 0.476 nan 8.310 nan 0.000 0.456 122 K N -1.596 118.711 120.400 -0.154 0.000 2.400 122 K HA 0.033 4.353 4.320 -0.000 0.000 0.194 122 K C 1.521 178.246 176.600 0.207 0.000 1.033 122 K CA 0.325 56.589 56.287 -0.039 0.000 1.021 122 K CB -0.099 32.331 32.500 -0.116 0.000 0.808 122 K HN 0.405 nan 8.250 nan 0.000 0.505 123 W N 2.040 123.384 121.300 0.074 0.000 2.574 123 W HA 0.332 4.992 4.660 0.000 0.000 0.282 123 W C 0.884 177.428 176.519 0.042 0.000 1.197 123 W CA -0.668 56.723 57.345 0.078 0.000 1.376 123 W CB -0.312 29.240 29.460 0.153 0.000 1.091 123 W HN -0.161 nan 8.180 nan 0.000 0.569 124 I N 1.829 122.561 120.570 0.270 0.000 2.496 124 I HA 0.090 4.260 4.170 -0.000 0.000 0.285 124 I C 1.405 177.594 176.117 0.120 0.000 1.080 124 I CA 0.534 61.906 61.300 0.119 0.000 1.404 124 I CB 1.071 39.081 38.000 0.017 0.000 1.403 124 I HN -0.144 nan 8.210 nan 0.000 0.539 125 R N 3.051 123.611 120.500 0.099 0.000 2.769 125 R HA 0.130 4.470 4.340 -0.000 0.000 0.191 125 R C 0.176 176.563 176.300 0.145 0.000 0.881 125 R CA 0.257 56.421 56.100 0.107 0.000 1.133 125 R CB 0.647 30.985 30.300 0.063 0.000 1.607 125 R HN 0.748 nan 8.270 nan 0.000 0.613 126 S N -0.679 115.077 115.700 0.093 0.000 2.632 126 S HA 0.198 4.668 4.470 -0.000 0.000 0.289 126 S C 0.671 175.316 174.600 0.075 0.000 1.115 126 S CA -0.716 57.550 58.200 0.109 0.000 0.889 126 S CB 0.419 63.557 63.200 -0.104 0.000 1.116 126 S HN 0.382 nan 8.310 nan 0.000 0.486 127 W N 1.708 123.124 121.300 0.194 0.000 2.392 127 W HA -0.007 4.653 4.660 -0.000 0.000 0.279 127 W C 1.128 177.595 176.519 -0.086 0.000 1.225 127 W CA 0.586 57.904 57.345 -0.045 0.000 1.233 127 W CB -0.840 28.703 29.460 0.138 0.000 1.122 127 W HN 0.702 nan 8.180 nan 0.000 0.561 128 R N 0.832 120.752 120.500 -0.966 0.000 2.341 128 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 128 R C 0.931 177.013 176.300 -0.365 0.000 1.082 128 R CA 1.298 56.880 56.100 -0.864 0.000 1.017 128 R CB -0.269 29.472 30.300 -0.933 0.000 0.860 128 R HN 0.073 nan 8.270 nan 0.000 0.473 129 D N -0.181 120.062 120.400 -0.261 0.000 2.339 129 D HA 0.108 4.748 4.640 -0.000 0.000 0.217 129 D C 0.176 176.369 176.300 -0.177 0.000 1.050 129 D CA 0.518 54.415 54.000 -0.172 0.000 0.856 129 D CB 0.425 41.156 40.800 -0.114 0.000 0.922 129 D HN 0.119 nan 8.370 nan 0.000 0.518 130 L N 1.042 122.151 121.223 -0.190 0.000 2.301 130 L HA 0.470 4.810 4.340 -0.000 0.000 0.264 130 L C -2.191 174.619 176.870 -0.101 0.000 1.016 130 L CA -1.929 52.784 54.840 -0.212 0.000 0.821 130 L CB 1.927 43.795 42.059 -0.318 0.000 1.346 130 L HN -0.243 nan 8.230 nan 0.000 0.429 131 P HA 0.174 nan 4.420 nan 0.000 0.279 131 P C -1.553 175.604 177.300 -0.238 0.000 1.252 131 P CA -0.632 62.321 63.100 -0.245 0.000 0.811 131 P CB 1.057 32.638 31.700 -0.199 0.000 1.035 132 Q N 1.535 121.134 119.800 -0.336 0.000 2.322 132 Q HA 0.375 4.715 4.340 -0.000 0.000 0.256 132 Q C -0.477 175.510 176.000 -0.021 0.000 0.960 132 Q CA -0.237 55.487 55.803 -0.131 0.000 0.934 132 Q CB 1.106 29.703 28.738 -0.236 0.000 1.200 132 Q HN 0.468 nan 8.270 nan 0.000 0.435 133 L N 5.174 126.434 121.223 0.062 0.000 2.356 133 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 133 L C -0.478 176.540 176.870 0.247 0.000 1.029 133 L CA -0.204 54.700 54.840 0.107 0.000 0.897 133 L CB 0.429 42.391 42.059 -0.161 0.000 1.256 133 L HN 0.309 nan 8.230 nan 0.000 0.444 134 L N 2.275 123.683 121.223 0.307 0.000 2.334 134 L HA 0.593 4.933 4.340 -0.000 0.000 0.273 134 L C -0.478 176.404 176.870 0.019 0.000 1.013 134 L CA -0.567 54.408 54.840 0.225 0.000 0.816 134 L CB 2.213 44.445 42.059 0.289 0.000 1.278 134 L HN 0.422 nan 8.230 nan 0.000 0.431 135 N N 1.393 120.090 118.700 -0.005 0.000 2.242 135 N HA 0.421 5.161 4.740 -0.000 0.000 0.292 135 N C -1.671 173.769 175.510 -0.117 0.000 1.125 135 N CA -0.570 52.339 53.050 -0.235 0.000 0.783 135 N CB 2.407 40.756 38.487 -0.231 0.000 1.558 135 N HN 0.618 nan 8.380 nan 0.000 0.472 136 Q N 2.364 122.013 119.800 -0.251 0.000 2.263 136 Q HA 0.350 4.690 4.340 -0.000 0.000 0.266 136 Q C -1.768 174.163 176.000 -0.115 0.000 1.002 136 Q CA -0.612 55.160 55.803 -0.051 0.000 0.790 136 Q CB 1.056 29.827 28.738 0.055 0.000 1.272 136 Q HN 0.626 nan 8.270 nan 0.000 0.435 137 W N 3.329 124.765 121.300 0.228 0.000 2.316 137 W HA 0.704 5.364 4.660 -0.000 0.000 0.308 137 W C 0.616 177.341 176.519 0.344 0.000 1.106 137 W CA 0.044 57.553 57.345 0.273 0.000 1.262 137 W CB 1.727 31.323 29.460 0.228 0.000 1.233 137 W HN 0.824 nan 8.180 nan 0.000 0.447 138 G N 2.460 111.625 108.800 0.609 0.000 2.490 138 G HA2 0.305 4.265 3.960 -0.000 0.000 0.308 138 G HA3 0.305 4.265 3.960 -0.000 0.000 0.308 138 G C -1.412 173.671 174.900 0.306 0.000 1.286 138 G CA -1.054 44.330 45.100 0.474 0.000 0.825 138 G HN 0.385 nan 8.290 nan 0.000 0.479 139 N N -1.034 117.715 118.700 0.081 0.000 2.404 139 N HA 0.731 5.471 4.740 -0.000 0.000 0.297 139 N C -0.485 174.767 175.510 -0.430 0.000 1.163 139 N CA -0.487 52.412 53.050 -0.252 0.000 0.864 139 N CB 2.028 40.415 38.487 -0.166 0.000 1.247 139 N HN 1.317 nan 8.380 nan 0.000 0.510 140 V N -3.008 116.392 119.914 -0.857 0.000 3.087 140 V HA 0.707 4.827 4.120 -0.000 0.000 0.306 140 V C -0.749 174.917 176.094 -0.713 0.000 1.187 140 V CA -0.963 60.843 62.300 -0.823 0.000 0.999 140 V CB 1.429 32.494 31.823 -1.264 0.000 1.049 140 V HN 0.431 nan 8.190 nan 0.000 0.431 141 V N 2.947 122.666 119.914 -0.325 0.000 2.581 141 V HA 0.725 4.845 4.120 -0.000 0.000 0.303 141 V C -0.138 175.991 176.094 0.059 0.000 1.041 141 V CA -0.586 61.672 62.300 -0.071 0.000 0.907 141 V CB 1.917 33.783 31.823 0.072 0.000 0.994 141 V HN 0.974 nan 8.190 nan 0.000 0.442 142 R N 3.530 124.155 120.500 0.207 0.000 2.631 142 R HA 0.168 4.508 4.340 -0.000 0.000 0.289 142 R C -1.134 175.343 176.300 0.295 0.000 1.303 142 R CA -0.463 55.802 56.100 0.275 0.000 0.989 142 R CB 1.435 31.926 30.300 0.319 0.000 1.208 142 R HN 0.797 nan 8.270 nan 0.000 0.461 143 W N 5.243 126.596 121.300 0.089 0.000 2.429 143 W HA 0.064 4.724 4.660 -0.000 0.000 0.431 143 W C -0.528 176.037 176.519 0.077 0.000 1.038 143 W CA 0.505 57.895 57.345 0.074 0.000 1.635 143 W CB 0.365 29.857 29.460 0.054 0.000 1.721 143 W HN 0.497 nan 8.180 nan 0.000 0.366 144 E N 4.328 124.527 120.200 -0.002 0.000 2.202 144 E HA 0.239 4.589 4.350 -0.000 0.000 0.272 144 E C 0.498 177.062 176.600 -0.060 0.000 0.951 144 E CA -0.875 55.535 56.400 0.016 0.000 0.813 144 E CB 1.800 31.519 29.700 0.032 0.000 1.151 144 E HN 0.250 nan 8.360 nan 0.000 0.398 145 M N 0.784 120.382 119.600 -0.002 0.000 2.255 145 M HA 0.431 4.911 4.480 -0.000 0.000 0.336 145 M C -0.336 175.961 176.300 -0.005 0.000 1.135 145 M CA -0.300 54.995 55.300 -0.009 0.000 1.145 145 M CB 0.513 33.130 32.600 0.027 0.000 1.473 145 M HN 0.491 nan 8.290 nan 0.000 0.462 146 R N 0.705 121.201 120.500 -0.007 0.000 1.884 146 R HA -0.099 4.241 4.340 -0.000 0.000 0.377 146 R C -0.862 175.447 176.300 0.014 0.000 1.211 146 R CA 1.020 57.128 56.100 0.014 0.000 1.026 146 R CB -1.607 28.712 30.300 0.032 0.000 3.052 146 R HN 1.085 nan 8.270 nan 0.000 0.489 147 T N 0.619 115.180 114.554 0.012 0.000 2.924 147 T HA 0.811 5.161 4.350 -0.000 0.000 0.291 147 T C -0.124 174.612 174.700 0.060 0.000 1.045 147 T CA -1.189 60.922 62.100 0.018 0.000 1.015 147 T CB 2.679 71.534 68.868 -0.022 0.000 1.103 147 T HN 0.483 nan 8.240 nan 0.000 0.496 148 R N 1.117 121.658 120.500 0.069 0.000 2.604 148 R HA 0.444 4.784 4.340 -0.000 0.000 0.281 148 R C -3.132 173.213 176.300 0.075 0.000 1.020 148 R CA -2.189 53.978 56.100 0.112 0.000 0.899 148 R CB 2.324 32.697 30.300 0.122 0.000 1.205 148 R HN 0.433 nan 8.270 nan 0.000 0.450 149 P HA -0.026 nan 4.420 nan 0.000 0.262 149 P C -0.314 176.942 177.300 -0.073 0.000 1.182 149 P CA 0.738 63.688 63.100 -0.252 0.000 0.761 149 P CB 0.095 31.539 31.700 -0.426 0.000 0.795 150 F N -0.446 119.404 119.950 -0.167 0.000 2.559 150 F HA -0.351 4.176 4.527 -0.000 0.000 0.681 150 F C 1.575 177.434 175.800 0.099 0.000 0.488 150 F CA 0.892 58.798 58.000 -0.156 0.000 0.759 150 F CB -1.777 37.106 39.000 -0.195 0.000 1.634 150 F HN 0.189 nan 8.300 nan 0.000 0.264 151 L N -0.212 121.151 121.223 0.233 0.000 2.083 151 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 151 L C 1.162 178.063 176.870 0.051 0.000 1.083 151 L CA 2.386 57.285 54.840 0.098 0.000 0.752 151 L CB -0.507 41.528 42.059 -0.042 0.000 0.899 151 L HN 0.327 nan 8.230 nan 0.000 0.433 152 R N -0.322 120.209 120.500 0.052 0.000 3.039 152 R HA 0.310 4.650 4.340 -0.000 0.000 0.264 152 R C -1.248 175.065 176.300 0.021 0.000 1.708 152 R CA 0.014 56.111 56.100 -0.006 0.000 1.134 152 R CB 0.540 30.848 30.300 0.014 0.000 1.386 152 R HN 0.156 nan 8.270 nan 0.000 0.477 153 T N -0.709 113.880 114.554 0.058 0.000 2.885 153 T HA 0.291 4.641 4.350 -0.000 0.000 0.285 153 T C 1.032 175.809 174.700 0.128 0.000 1.019 153 T CA -0.733 61.435 62.100 0.114 0.000 1.010 153 T CB 1.942 70.975 68.868 0.275 0.000 1.022 153 T HN 0.220 nan 8.240 nan 0.000 0.466 154 S N 0.691 116.397 115.700 0.010 0.000 2.372 154 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 154 S C 0.772 175.447 174.600 0.126 0.000 1.044 154 S CA 1.504 59.675 58.200 -0.047 0.000 1.050 154 S CB -0.333 62.687 63.200 -0.300 0.000 0.901 154 S HN 0.865 nan 8.310 nan 0.000 0.447 155 E N -0.477 119.801 120.200 0.131 0.000 2.256 155 E HA 0.539 4.889 4.350 -0.000 0.000 0.267 155 E C -1.275 175.350 176.600 0.041 0.000 0.892 155 E CA -0.865 55.552 56.400 0.028 0.000 0.775 155 E CB 1.330 31.039 29.700 0.016 0.000 1.207 155 E HN 0.272 nan 8.360 nan 0.000 0.420 156 F N 1.146 120.800 119.950 -0.492 0.000 2.665 156 F HA 0.461 4.988 4.527 0.000 0.000 0.308 156 F C -1.948 173.130 175.800 -1.203 0.000 1.112 156 F CA -1.226 56.093 58.000 -1.135 0.000 0.972 156 F CB 0.781 39.263 39.000 -0.864 0.000 1.295 156 F HN 0.256 nan 8.300 nan 0.000 0.440 157 L N 3.161 123.417 121.223 -1.611 0.000 2.375 157 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 157 L C -0.707 176.074 176.870 -0.148 0.000 1.107 157 L CA -0.393 54.043 54.840 -0.673 0.000 0.806 157 L CB 1.238 43.012 42.059 -0.475 0.000 1.146 157 L HN 0.905 nan 8.230 nan 0.000 0.447 158 W N 2.060 123.465 121.300 0.175 0.000 2.803 158 W HA 0.391 5.051 4.660 0.000 0.000 0.424 158 W C -2.038 174.742 176.519 0.435 0.000 1.092 158 W CA -0.983 56.630 57.345 0.446 0.000 1.184 158 W CB 0.940 30.576 29.460 0.293 0.000 1.470 158 W HN 0.471 nan 8.180 nan 0.000 0.598 159 Q N 2.197 122.061 119.800 0.107 0.000 2.304 159 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 159 Q C -1.252 174.176 176.000 -0.953 0.000 1.035 159 Q CA -0.236 55.219 55.803 -0.580 0.000 0.781 159 Q CB 2.338 30.497 28.738 -0.966 0.000 1.261 159 Q HN 0.573 nan 8.270 nan 0.000 0.444 160 E N 2.224 121.779 120.200 -1.075 0.000 2.185 160 E HA 0.676 5.026 4.350 -0.000 0.000 0.261 160 E C -0.608 175.346 176.600 -1.077 0.000 0.879 160 E CA -1.083 54.593 56.400 -1.206 0.000 0.756 160 E CB 1.330 30.285 29.700 -1.241 0.000 1.152 160 E HN 0.661 nan 8.360 nan 0.000 0.416 161 G N 3.030 110.839 108.800 -1.651 0.000 2.377 161 G HA2 0.357 4.317 3.960 -0.000 0.000 0.299 161 G HA3 0.357 4.317 3.960 -0.000 0.000 0.299 161 G C -0.767 172.869 174.900 -2.107 0.000 1.150 161 G CA -0.388 43.206 45.100 -2.509 0.000 0.847 161 G HN 0.604 nan 8.290 nan 0.000 0.501 162 H N 0.502 118.991 119.070 -0.968 0.000 2.840 162 H HA 0.449 5.005 4.556 -0.000 0.000 0.340 162 H C -0.416 174.981 175.328 0.115 0.000 1.004 162 H CA -0.397 55.391 56.048 -0.432 0.000 1.288 162 H CB 2.200 31.627 29.762 -0.558 0.000 1.607 162 H HN 0.724 nan 8.280 nan 0.000 0.522 163 T N 0.183 114.969 114.554 0.387 0.000 2.907 163 T HA 0.823 5.173 4.350 -0.000 0.000 0.292 163 T C -0.552 174.124 174.700 -0.039 0.000 1.043 163 T CA -1.024 61.240 62.100 0.274 0.000 1.003 163 T CB 2.341 71.384 68.868 0.292 0.000 1.084 163 T HN 0.620 nan 8.240 nan 0.000 0.483 164 A N 2.278 124.722 122.820 -0.628 0.000 2.356 164 A HA 0.762 5.082 4.320 -0.000 0.000 0.310 164 A C -0.755 176.395 177.584 -0.723 0.000 1.075 164 A CA -0.803 50.773 52.037 -0.768 0.000 0.746 164 A CB 0.938 19.081 19.000 -1.428 0.000 1.221 164 A HN 0.958 nan 8.150 nan 0.000 0.443 165 H N 1.059 120.061 119.070 -0.113 0.000 2.797 165 H HA 0.586 5.142 4.556 -0.000 0.000 0.372 165 H C 0.905 176.216 175.328 -0.028 0.000 1.168 165 H CA -0.102 55.912 56.048 -0.057 0.000 1.163 165 H CB 2.388 32.176 29.762 0.044 0.000 1.778 165 H HN 0.701 nan 8.280 nan 0.000 0.551 166 A N 1.329 124.176 122.820 0.044 0.000 1.970 166 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 166 A C 1.088 178.871 177.584 0.332 0.000 1.170 166 A CA 1.440 53.508 52.037 0.051 0.000 0.645 166 A CB -0.198 18.788 19.000 -0.024 0.000 0.816 166 A HN 0.674 nan 8.150 nan 0.000 0.447 167 T N -4.473 110.192 114.554 0.185 0.000 2.908 167 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 167 T C 0.574 175.162 174.700 -0.186 0.000 1.034 167 T CA -0.394 61.721 62.100 0.024 0.000 1.010 167 T CB 1.941 70.804 68.868 -0.009 0.000 1.068 167 T HN 0.270 nan 8.240 nan 0.000 0.481 168 R N 0.726 120.916 120.500 -0.516 0.000 2.096 168 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 168 R C 2.071 178.223 176.300 -0.248 0.000 1.127 168 R CA 1.853 57.670 56.100 -0.472 0.000 0.968 168 R CB -0.262 29.806 30.300 -0.388 0.000 0.861 168 R HN 0.925 nan 8.270 nan 0.000 0.440 169 E N 0.601 120.684 120.200 -0.194 0.000 2.038 169 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 169 E C 1.801 178.293 176.600 -0.180 0.000 1.000 169 E CA 1.608 57.909 56.400 -0.164 0.000 0.803 169 E CB -0.112 29.518 29.700 -0.116 0.000 0.750 169 E HN 0.466 nan 8.360 nan 0.000 0.448 170 E N -0.264 119.833 120.200 -0.171 0.000 2.118 170 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 170 E C 1.904 178.191 176.600 -0.522 0.000 0.992 170 E CA 0.977 57.233 56.400 -0.239 0.000 0.804 170 E CB -0.122 29.507 29.700 -0.119 0.000 0.741 170 E HN 0.362 nan 8.360 nan 0.000 0.458 171 A N 1.059 123.593 122.820 -0.476 0.000 1.930 171 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 171 A C 1.871 179.360 177.584 -0.157 0.000 1.175 171 A CA 1.385 53.177 52.037 -0.408 0.000 0.627 171 A CB -0.349 18.789 19.000 0.231 0.000 0.815 171 A HN 0.280 nan 8.150 nan 0.000 0.443 172 E N -0.206 119.868 120.200 -0.211 0.000 2.152 172 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 172 E C 1.856 178.383 176.600 -0.121 0.000 0.983 172 E CA 1.109 57.400 56.400 -0.181 0.000 0.818 172 E CB -0.153 29.394 29.700 -0.256 0.000 0.758 172 E HN 0.747 nan 8.360 nan 0.000 0.467 173 E N 0.886 120.988 120.200 -0.163 0.000 2.106 173 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 173 E C 1.990 178.509 176.600 -0.135 0.000 0.984 173 E CA 0.877 57.193 56.400 -0.141 0.000 0.806 173 E CB 0.036 29.653 29.700 -0.138 0.000 0.750 173 E HN 0.093 nan 8.360 nan 0.000 0.458 174 E N 1.069 121.174 120.200 -0.158 0.000 2.051 174 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 174 E C 2.018 178.543 176.600 -0.126 0.000 0.991 174 E CA 1.080 57.418 56.400 -0.104 0.000 0.799 174 E CB -0.218 29.480 29.700 -0.005 0.000 0.748 174 E HN 0.018 nan 8.360 nan 0.000 0.449 175 V N 1.142 121.030 119.914 -0.043 0.000 2.282 175 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 175 V C 2.525 178.576 176.094 -0.072 0.000 1.057 175 V CA 2.232 64.528 62.300 -0.007 0.000 1.032 175 V CB -0.545 31.355 31.823 0.128 0.000 0.645 175 V HN 0.254 nan 8.190 nan 0.000 0.447 176 R N -0.439 120.018 120.500 -0.071 0.000 2.090 176 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 176 R C 2.335 178.549 176.300 -0.143 0.000 1.110 176 R CA 1.140 57.183 56.100 -0.094 0.000 0.973 176 R CB -0.753 29.463 30.300 -0.140 0.000 0.869 176 R HN 0.494 nan 8.270 nan 0.000 0.440 177 R N 0.217 120.613 120.500 -0.175 0.000 2.091 177 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 177 R C 1.869 177.986 176.300 -0.306 0.000 1.136 177 R CA 1.553 57.538 56.100 -0.192 0.000 0.959 177 R CB -0.000 30.202 30.300 -0.163 0.000 0.856 177 R HN -0.000 nan 8.270 nan 0.000 0.437 178 M N 0.116 119.415 119.600 -0.502 0.000 2.156 178 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 178 M C 2.170 178.065 176.300 -0.675 0.000 1.067 178 M CA 1.014 55.818 55.300 -0.827 0.000 1.131 178 M CB -1.130 30.594 32.600 -1.461 0.000 1.368 178 M HN 0.204 nan 8.290 nan 0.000 0.416 179 L N 0.126 121.131 121.223 -0.363 0.000 2.187 179 L HA -0.108 4.232 4.340 -0.000 0.000 0.213 179 L C 2.277 179.138 176.870 -0.014 0.000 1.100 179 L CA 1.548 56.333 54.840 -0.092 0.000 0.765 179 L CB -0.627 41.486 42.059 0.089 0.000 0.904 179 L HN 0.209 nan 8.230 nan 0.000 0.437 180 S N -0.777 114.880 115.700 -0.073 0.000 2.406 180 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 180 S C 1.927 176.517 174.600 -0.017 0.000 1.020 180 S CA 1.201 59.393 58.200 -0.013 0.000 0.965 180 S CB -0.252 62.925 63.200 -0.037 0.000 0.798 180 S HN 0.437 nan 8.310 nan 0.000 0.488 181 I N 0.330 120.829 120.570 -0.119 0.000 2.202 181 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 181 I C 1.917 178.064 176.117 0.051 0.000 1.091 181 I CA 1.355 62.604 61.300 -0.085 0.000 1.368 181 I CB -0.330 37.563 38.000 -0.178 0.000 1.058 181 I HN 0.361 nan 8.210 nan 0.000 0.410 182 Y N 0.406 120.699 120.300 -0.013 0.000 2.165 182 Y HA -0.315 4.235 4.550 0.000 0.000 0.286 182 Y C 2.694 178.635 175.900 0.069 0.000 1.155 182 Y CA 0.537 58.638 58.100 0.002 0.000 1.164 182 Y CB -0.354 38.132 38.460 0.042 0.000 0.978 182 Y HN 0.199 nan 8.280 nan 0.000 0.513 183 A N 0.276 123.252 122.820 0.261 0.000 1.969 183 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 183 A C 2.174 179.880 177.584 0.203 0.000 1.169 183 A CA 1.437 53.611 52.037 0.229 0.000 0.635 183 A CB -0.640 18.473 19.000 0.188 0.000 0.810 183 A HN 0.396 nan 8.150 nan 0.000 0.445 184 R N -0.781 119.815 120.500 0.160 0.000 2.075 184 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 184 R C 2.072 178.526 176.300 0.257 0.000 1.126 184 R CA 1.561 57.759 56.100 0.162 0.000 0.963 184 R CB -0.385 29.986 30.300 0.119 0.000 0.858 184 R HN 0.465 nan 8.270 nan 0.000 0.435 185 L N 0.703 122.048 121.223 0.203 0.000 2.017 185 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 185 L C 2.266 179.379 176.870 0.404 0.000 1.073 185 L CA 2.252 57.209 54.840 0.194 0.000 0.745 185 L CB -0.634 41.369 42.059 -0.094 0.000 0.894 185 L HN 0.206 nan 8.230 nan 0.000 0.432 186 A N -0.445 122.638 122.820 0.438 0.000 1.902 186 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 186 A C 2.409 180.236 177.584 0.405 0.000 1.181 186 A CA 1.963 54.340 52.037 0.568 0.000 0.623 186 A CB -0.478 18.820 19.000 0.498 0.000 0.818 186 A HN 0.547 nan 8.150 nan 0.000 0.443 187 R N -0.778 119.893 120.500 0.285 0.000 2.057 187 R HA 0.023 4.363 4.340 -0.000 0.000 0.224 187 R C 2.082 178.431 176.300 0.081 0.000 1.136 187 R CA 1.300 57.463 56.100 0.104 0.000 0.968 187 R CB -0.303 29.988 30.300 -0.015 0.000 0.863 187 R HN 0.585 nan 8.270 nan 0.000 0.433 188 E N -0.654 119.595 120.200 0.082 0.000 2.274 188 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 188 E C 0.865 177.240 176.600 -0.376 0.000 0.996 188 E CA 0.979 57.287 56.400 -0.152 0.000 0.840 188 E CB 0.277 29.839 29.700 -0.231 0.000 0.772 188 E HN 0.398 nan 8.360 nan 0.000 0.491 189 Y N -1.496 118.894 120.300 0.150 0.000 2.589 189 Y HA 0.318 4.868 4.550 -0.000 0.000 0.271 189 Y C 1.871 177.975 175.900 0.340 0.000 1.107 189 Y CA 0.395 58.599 58.100 0.174 0.000 1.273 189 Y CB 0.475 38.996 38.460 0.102 0.000 1.266 189 Y HN -0.026 nan 8.280 nan 0.000 0.504 190 A N -0.089 123.052 122.820 0.535 0.000 2.303 190 A HA 0.596 4.916 4.320 -0.000 0.000 0.217 190 A C 1.603 179.423 177.584 0.394 0.000 1.205 190 A CA 0.502 52.801 52.037 0.437 0.000 0.875 190 A CB -0.560 18.684 19.000 0.408 0.000 0.910 190 A HN 0.529 nan 8.150 nan 0.000 0.501 191 A N -0.823 122.207 122.820 0.349 0.000 2.847 191 A HA -0.183 4.137 4.320 -0.000 0.000 0.263 191 A C 0.212 178.110 177.584 0.523 0.000 1.391 191 A CA 1.177 53.324 52.037 0.184 0.000 0.866 191 A CB -2.592 16.243 19.000 -0.275 0.000 1.057 191 A HN 0.566 nan 8.150 nan 0.000 0.673 192 I N 1.570 122.399 120.570 0.432 0.000 2.304 192 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 192 I C -1.866 174.468 176.117 0.361 0.000 1.018 192 I CA -2.227 59.235 61.300 0.271 0.000 1.260 192 I CB 1.310 39.364 38.000 0.090 0.000 1.390 192 I HN 0.118 nan 8.210 nan 0.000 0.475 193 P HA 0.215 nan 4.420 nan 0.000 0.275 193 P C -0.776 176.661 177.300 0.228 0.000 1.228 193 P CA -0.085 63.199 63.100 0.307 0.000 0.786 193 P CB 1.640 33.341 31.700 0.002 0.000 0.927 194 V N -0.016 120.044 119.914 0.243 0.000 3.159 194 V HA 0.602 4.722 4.120 -0.000 0.000 0.308 194 V C -0.486 175.702 176.094 0.156 0.000 1.190 194 V CA -1.177 61.244 62.300 0.201 0.000 1.037 194 V CB 2.160 34.111 31.823 0.213 0.000 1.060 194 V HN 0.301 nan 8.190 nan 0.000 0.437 195 I N 1.193 121.822 120.570 0.099 0.000 2.355 195 I HA 0.437 4.607 4.170 -0.000 0.000 0.288 195 I C -0.031 176.075 176.117 -0.018 0.000 0.999 195 I CA -0.242 61.065 61.300 0.012 0.000 1.163 195 I CB 1.644 39.576 38.000 -0.115 0.000 1.316 195 I HN 0.749 nan 8.210 nan 0.000 0.454 196 E N 4.813 125.019 120.200 0.009 0.000 2.223 196 E HA 0.510 4.860 4.350 -0.000 0.000 0.282 196 E C 0.111 176.461 176.600 -0.418 0.000 1.046 196 E CA -0.176 56.221 56.400 -0.004 0.000 0.857 196 E CB 1.401 31.251 29.700 0.250 0.000 1.055 196 E HN 0.821 nan 8.360 nan 0.000 0.409 197 G N 2.177 110.565 108.800 -0.686 0.000 2.682 197 G HA2 0.477 4.437 3.960 -0.000 0.000 0.303 197 G HA3 0.477 4.437 3.960 -0.000 0.000 0.303 197 G C -1.919 172.444 174.900 -0.895 0.000 1.341 197 G CA -0.704 43.708 45.100 -1.147 0.000 0.784 197 G HN 0.332 nan 8.290 nan 0.000 0.497 198 L N 0.606 121.459 121.223 -0.617 0.000 2.341 198 L HA 0.610 4.950 4.340 -0.000 0.000 0.278 198 L C 0.028 176.805 176.870 -0.157 0.000 1.005 198 L CA -0.975 53.730 54.840 -0.225 0.000 0.818 198 L CB 1.582 43.578 42.059 -0.105 0.000 1.259 198 L HN 0.317 nan 8.230 nan 0.000 0.418 199 K N 1.913 122.303 120.400 -0.016 0.000 2.258 199 K HA 0.292 4.612 4.320 -0.000 0.000 0.264 199 K C 0.005 176.600 176.600 -0.008 0.000 1.007 199 K CA -0.148 56.134 56.287 -0.009 0.000 0.941 199 K CB 0.656 33.219 32.500 0.104 0.000 0.966 199 K HN 0.807 nan 8.250 nan 0.000 0.480 200 T N -1.084 113.441 114.554 -0.049 0.000 2.899 200 T HA 0.131 4.481 4.350 -0.000 0.000 0.284 200 T C 1.249 176.005 174.700 0.093 0.000 1.004 200 T CA -0.772 61.336 62.100 0.013 0.000 1.043 200 T CB 1.006 69.864 68.868 -0.018 0.000 1.013 200 T HN 0.366 nan 8.240 nan 0.000 0.518 201 E N 1.113 121.399 120.200 0.145 0.000 2.113 201 E HA -0.289 4.061 4.350 -0.000 0.000 0.210 201 E C 1.900 178.561 176.600 0.102 0.000 1.040 201 E CA 1.991 58.474 56.400 0.137 0.000 0.847 201 E CB -0.398 29.384 29.700 0.137 0.000 0.755 201 E HN 0.901 nan 8.360 nan 0.000 0.459 202 K N 0.563 121.014 120.400 0.085 0.000 2.074 202 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 202 K C 1.504 178.134 176.600 0.050 0.000 1.048 202 K CA 1.557 57.881 56.287 0.061 0.000 0.926 202 K CB 0.124 32.657 32.500 0.055 0.000 0.713 202 K HN -0.037 nan 8.250 nan 0.000 0.444 203 E N 1.148 121.380 120.200 0.052 0.000 2.479 203 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 203 E C -0.033 176.633 176.600 0.110 0.000 1.049 203 E CA 0.181 56.617 56.400 0.060 0.000 0.870 203 E CB 0.361 30.080 29.700 0.032 0.000 0.944 203 E HN 0.483 nan 8.360 nan 0.000 0.492 204 K N 0.182 120.663 120.400 0.134 0.000 2.149 204 K HA 0.082 4.402 4.320 -0.000 0.000 0.245 204 K C 0.075 176.793 176.600 0.197 0.000 1.024 204 K CA -0.622 55.791 56.287 0.209 0.000 0.899 204 K CB 0.573 33.214 32.500 0.235 0.000 1.038 204 K HN -0.222 nan 8.250 nan 0.000 0.496 205 F N 1.238 121.219 119.950 0.051 0.000 2.538 205 F HA 0.215 4.742 4.527 -0.000 0.000 0.371 205 F C 0.005 175.807 175.800 0.002 0.000 1.087 205 F CA -0.307 57.648 58.000 -0.076 0.000 1.250 205 F CB 0.342 38.992 39.000 -0.584 0.000 1.110 205 F HN 0.698 nan 8.300 nan 0.000 0.570 206 A N 4.909 127.319 122.820 -0.683 0.000 2.505 206 A HA 0.432 4.752 4.320 -0.000 0.000 0.271 206 A C 1.173 178.590 177.584 -0.279 0.000 1.112 206 A CA 0.630 52.378 52.037 -0.482 0.000 0.781 206 A CB -1.232 17.399 19.000 -0.615 0.000 1.059 206 A HN 1.987 nan 8.150 nan 0.000 0.508 207 G N 0.836 109.643 108.800 0.011 0.000 2.184 207 G HA2 0.222 4.182 3.960 -0.000 0.000 0.206 207 G HA3 0.222 4.182 3.960 -0.000 0.000 0.206 207 G C 0.387 175.474 174.900 0.312 0.000 0.995 207 G CA 0.134 45.351 45.100 0.194 0.000 0.651 207 G HN 2.044 nan 8.290 nan 0.000 0.511 208 A N -0.252 122.746 122.820 0.296 0.000 2.306 208 A HA 0.864 5.184 4.320 -0.000 0.000 0.330 208 A C 1.430 179.129 177.584 0.192 0.000 1.146 208 A CA 0.381 52.594 52.037 0.294 0.000 0.827 208 A CB 1.513 20.735 19.000 0.371 0.000 1.178 208 A HN 0.833 nan 8.150 nan 0.000 0.490 209 V N 0.189 120.181 119.914 0.129 0.000 2.255 209 V HA -0.018 4.102 4.120 -0.000 0.000 0.243 209 V C 0.630 176.929 176.094 0.342 0.000 1.038 209 V CA 2.336 64.754 62.300 0.195 0.000 1.008 209 V CB -1.102 30.846 31.823 0.209 0.000 0.645 209 V HN 0.913 nan 8.190 nan 0.000 0.449 210 Y N -2.110 118.394 120.300 0.340 0.000 2.588 210 Y HA 0.750 5.300 4.550 -0.000 0.000 0.343 210 Y C -0.817 175.306 175.900 0.372 0.000 1.065 210 Y CA -1.384 56.906 58.100 0.317 0.000 1.038 210 Y CB 1.291 39.925 38.460 0.290 0.000 1.297 210 Y HN -0.222 nan 8.280 nan 0.000 0.467 211 T N 2.329 117.257 114.554 0.623 0.000 2.812 211 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 211 T C -0.516 174.453 174.700 0.448 0.000 0.990 211 T CA -0.631 61.816 62.100 0.578 0.000 0.960 211 T CB 1.097 70.306 68.868 0.568 0.000 0.948 211 T HN 0.912 nan 8.240 nan 0.000 0.438 212 T N 0.218 115.000 114.554 0.380 0.000 2.943 212 T HA 0.825 5.175 4.350 -0.000 0.000 0.284 212 T C -0.073 174.730 174.700 0.172 0.000 1.015 212 T CA -0.724 61.550 62.100 0.289 0.000 1.042 212 T CB 1.925 71.039 68.868 0.410 0.000 1.055 212 T HN 0.558 nan 8.240 nan 0.000 0.500 213 T N 0.375 114.988 114.554 0.099 0.000 2.792 213 T HA 0.583 4.933 4.350 -0.000 0.000 0.303 213 T C -1.574 173.175 174.700 0.083 0.000 1.310 213 T CA -1.036 61.126 62.100 0.104 0.000 1.007 213 T CB 1.037 69.958 68.868 0.088 0.000 1.335 213 T HN 0.922 nan 8.240 nan 0.000 0.504 214 I N 0.892 121.541 120.570 0.131 0.000 2.389 214 I HA 0.737 4.907 4.170 -0.000 0.000 0.288 214 I C -0.447 175.746 176.117 0.128 0.000 0.999 214 I CA -0.768 60.616 61.300 0.139 0.000 1.129 214 I CB 1.768 39.894 38.000 0.211 0.000 1.288 214 I HN 0.364 nan 8.210 nan 0.000 0.444 215 E N 5.274 125.534 120.200 0.100 0.000 2.158 215 E HA 0.696 5.046 4.350 -0.000 0.000 0.271 215 E C -0.810 175.914 176.600 0.208 0.000 0.911 215 E CA -0.722 55.758 56.400 0.133 0.000 0.767 215 E CB 2.597 32.336 29.700 0.064 0.000 1.120 215 E HN 0.843 nan 8.360 nan 0.000 0.405 216 A N 2.769 125.715 122.820 0.208 0.000 2.330 216 A HA 0.643 4.963 4.320 -0.000 0.000 0.329 216 A C -1.072 176.595 177.584 0.140 0.000 1.135 216 A CA -0.701 51.440 52.037 0.172 0.000 0.817 216 A CB 1.012 20.056 19.000 0.074 0.000 1.269 216 A HN 0.443 nan 8.150 nan 0.000 0.469 217 L N 2.391 123.622 121.223 0.014 0.000 2.296 217 L HA 0.547 4.887 4.340 -0.000 0.000 0.286 217 L C -0.344 176.409 176.870 -0.194 0.000 1.023 217 L CA -0.370 54.352 54.840 -0.197 0.000 0.812 217 L CB 1.140 42.947 42.059 -0.419 0.000 1.223 217 L HN 0.680 nan 8.230 nan 0.000 0.421 218 M N 3.450 122.936 119.600 -0.189 0.000 2.247 218 M HA 0.236 4.716 4.480 -0.000 0.000 0.326 218 M C 1.222 177.234 176.300 -0.480 0.000 1.134 218 M CA -0.031 55.123 55.300 -0.244 0.000 1.136 218 M CB 0.632 33.199 32.600 -0.055 0.000 1.454 218 M HN 0.543 nan 8.290 nan 0.000 0.467 219 K N 0.833 120.853 120.400 -0.632 0.000 2.281 219 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 219 K C 0.744 176.921 176.600 -0.705 0.000 1.046 219 K CA 1.462 57.170 56.287 -0.964 0.000 0.938 219 K CB -0.105 32.014 32.500 -0.634 0.000 0.737 219 K HN 0.651 nan 8.250 nan 0.000 0.458 220 D N -1.018 118.750 120.400 -1.053 0.000 2.328 220 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 220 D C 1.057 177.056 176.300 -0.503 0.000 1.066 220 D CA 0.798 54.191 54.000 -1.011 0.000 0.861 220 D CB 0.192 40.007 40.800 -1.643 0.000 0.912 220 D HN 0.241 nan 8.370 nan 0.000 0.521 221 G N 0.112 108.686 108.800 -0.376 0.000 2.176 221 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 221 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 221 G C 0.260 174.978 174.900 -0.303 0.000 0.979 221 G CA 0.197 45.108 45.100 -0.315 0.000 0.641 221 G HN 0.463 nan 8.290 nan 0.000 0.530 222 K N 0.802 121.020 120.400 -0.303 0.000 2.144 222 K HA 0.680 5.000 4.320 -0.000 0.000 0.270 222 K C 0.616 177.136 176.600 -0.133 0.000 1.005 222 K CA 0.126 56.245 56.287 -0.280 0.000 0.932 222 K CB 1.402 33.563 32.500 -0.566 0.000 1.021 222 K HN 0.431 nan 8.250 nan 0.000 0.462 223 A N 2.235 125.027 122.820 -0.048 0.000 2.302 223 A HA 0.551 4.871 4.320 -0.000 0.000 0.285 223 A C -1.139 176.552 177.584 0.178 0.000 1.105 223 A CA -0.497 51.602 52.037 0.103 0.000 0.816 223 A CB 0.512 19.681 19.000 0.281 0.000 1.067 223 A HN 0.531 nan 8.150 nan 0.000 0.489 224 L N 0.744 122.079 121.223 0.186 0.000 2.470 224 L HA 0.350 4.690 4.340 -0.000 0.000 0.268 224 L C -0.477 176.484 176.870 0.151 0.000 0.964 224 L CA -0.245 54.703 54.840 0.179 0.000 0.839 224 L CB 2.046 44.182 42.059 0.129 0.000 1.276 224 L HN 0.781 nan 8.230 nan 0.000 0.403 225 Q N 4.031 123.919 119.800 0.147 0.000 2.295 225 Q HA 0.452 4.792 4.340 -0.000 0.000 0.259 225 Q C -0.252 175.842 176.000 0.155 0.000 0.976 225 Q CA 0.529 56.419 55.803 0.144 0.000 0.923 225 Q CB 1.858 30.680 28.738 0.139 0.000 1.185 225 Q HN 0.885 nan 8.270 nan 0.000 0.410 226 A N 3.198 126.124 122.820 0.176 0.000 2.348 226 A HA 0.503 4.823 4.320 -0.000 0.000 0.224 226 A C 0.535 178.238 177.584 0.198 0.000 1.227 226 A CA 0.575 52.753 52.037 0.235 0.000 0.885 226 A CB 0.440 19.621 19.000 0.302 0.000 0.933 226 A HN 0.761 nan 8.150 nan 0.000 0.506 227 G N -0.996 107.879 108.800 0.126 0.000 2.633 227 G HA2 0.498 4.458 3.960 -0.000 0.000 0.299 227 G HA3 0.498 4.458 3.960 -0.000 0.000 0.299 227 G C -0.824 174.155 174.900 0.132 0.000 1.501 227 G CA 0.209 45.301 45.100 -0.013 0.000 0.887 227 G HN 0.723 nan 8.290 nan 0.000 0.561 228 T N -1.940 112.700 114.554 0.144 0.000 2.906 228 T HA 0.827 5.177 4.350 -0.000 0.000 0.295 228 T C -0.645 174.034 174.700 -0.035 0.000 1.061 228 T CA -0.900 61.247 62.100 0.079 0.000 1.000 228 T CB 2.163 71.072 68.868 0.068 0.000 1.103 228 T HN 1.310 nan 8.240 nan 0.000 0.486 229 S N 0.996 116.571 115.700 -0.208 0.000 2.677 229 S HA 0.487 4.957 4.470 -0.000 0.000 0.283 229 S C -1.448 172.998 174.600 -0.257 0.000 1.159 229 S CA -0.765 57.324 58.200 -0.185 0.000 1.001 229 S CB 0.418 63.614 63.200 -0.007 0.000 1.032 229 S HN 0.777 nan 8.310 nan 0.000 0.487 230 H N 3.002 122.148 119.070 0.126 0.000 2.492 230 H HA 0.299 4.855 4.556 -0.000 0.000 0.345 230 H C -1.210 174.148 175.328 0.051 0.000 1.136 230 H CA -0.461 55.637 56.048 0.083 0.000 1.202 230 H CB 1.134 30.909 29.762 0.022 0.000 1.524 230 H HN 0.676 nan 8.280 nan 0.000 0.506 231 Y N 3.192 123.396 120.300 -0.160 0.000 2.404 231 Y HA 0.184 4.734 4.550 -0.000 0.000 0.344 231 Y C 0.201 176.066 175.900 -0.059 0.000 0.970 231 Y CA -0.710 57.224 58.100 -0.276 0.000 1.180 231 Y CB 0.241 38.149 38.460 -0.920 0.000 1.138 231 Y HN 0.554 nan 8.280 nan 0.000 0.510 232 L N 5.944 126.959 121.223 -0.348 0.000 2.567 232 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 232 L C 1.687 178.335 176.870 -0.369 0.000 1.119 232 L CA 0.428 55.175 54.840 -0.155 0.000 0.871 232 L CB -0.770 41.371 42.059 0.137 0.000 1.036 232 L HN 1.039 nan 8.230 nan 0.000 0.459 233 G N 1.660 109.822 108.800 -1.063 0.000 2.622 233 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.307 233 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.307 233 G C 0.495 175.284 174.900 -0.184 0.000 1.226 233 G CA 0.629 45.366 45.100 -0.606 0.000 0.997 233 G HN 0.482 nan 8.290 nan 0.000 0.551 234 E N 1.361 121.472 120.200 -0.147 0.000 2.548 234 E HA 0.147 4.497 4.350 -0.000 0.000 0.206 234 E C 1.683 178.169 176.600 -0.191 0.000 1.005 234 E CA -0.126 56.153 56.400 -0.201 0.000 0.951 234 E CB 0.146 29.677 29.700 -0.281 0.000 1.035 234 E HN 0.378 nan 8.360 nan 0.000 0.470 235 N N 0.795 119.421 118.700 -0.123 0.000 2.061 235 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 235 N C 1.247 176.574 175.510 -0.305 0.000 1.030 235 N CA 1.394 54.313 53.050 -0.218 0.000 0.856 235 N CB -0.226 38.135 38.487 -0.210 0.000 1.023 235 N HN 0.192 nan 8.380 nan 0.000 0.424 236 F N 0.843 120.785 119.950 -0.014 0.000 2.416 236 F HA 0.228 4.755 4.527 -0.000 0.000 0.296 236 F C 2.320 178.203 175.800 0.137 0.000 1.099 236 F CA 0.369 58.437 58.000 0.113 0.000 1.427 236 F CB -0.487 38.592 39.000 0.133 0.000 1.079 236 F HN -0.013 nan 8.300 nan 0.000 0.536 237 A N 0.469 123.395 122.820 0.177 0.000 1.902 237 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 237 A C 2.287 179.837 177.584 -0.057 0.000 1.181 237 A CA 1.564 53.678 52.037 0.129 0.000 0.623 237 A CB -0.566 18.485 19.000 0.084 0.000 0.818 237 A HN 0.292 nan 8.150 nan 0.000 0.443 238 R N -0.771 119.491 120.500 -0.398 0.000 2.090 238 R HA 0.044 4.384 4.340 -0.000 0.000 0.228 238 R C 2.441 178.573 176.300 -0.280 0.000 1.110 238 R CA 1.024 56.777 56.100 -0.577 0.000 0.973 238 R CB -0.360 29.548 30.300 -0.652 0.000 0.869 238 R HN 0.499 nan 8.270 nan 0.000 0.440 239 A N 0.080 122.733 122.820 -0.278 0.000 1.930 239 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 239 A C 1.272 178.492 177.584 -0.607 0.000 1.175 239 A CA 1.127 52.895 52.037 -0.449 0.000 0.627 239 A CB -0.165 18.500 19.000 -0.559 0.000 0.815 239 A HN 0.252 nan 8.150 nan 0.000 0.443 240 F N -0.996 118.920 119.950 -0.058 0.000 2.654 240 F HA 0.251 4.778 4.527 -0.000 0.000 0.303 240 F C 0.181 175.984 175.800 0.005 0.000 1.099 240 F CA -0.226 57.750 58.000 -0.040 0.000 1.270 240 F CB 0.081 39.067 39.000 -0.023 0.000 1.024 240 F HN 0.224 nan 8.300 nan 0.000 0.548 241 D N 1.871 122.360 120.400 0.148 0.000 2.828 241 D HA -0.212 4.428 4.640 -0.000 0.000 0.241 241 D C -0.558 175.874 176.300 0.221 0.000 1.142 241 D CA 0.441 54.563 54.000 0.204 0.000 0.755 241 D CB -0.853 40.011 40.800 0.106 0.000 1.014 241 D HN 0.305 nan 8.370 nan 0.000 0.420 242 I N 2.204 122.956 120.570 0.302 0.000 2.361 242 I HA 0.250 4.420 4.170 -0.000 0.000 0.282 242 I C 0.705 176.995 176.117 0.289 0.000 1.075 242 I CA -0.518 60.935 61.300 0.255 0.000 1.205 242 I CB 0.658 38.808 38.000 0.250 0.000 1.406 242 I HN -0.017 nan 8.210 nan 0.000 0.481 243 K N 6.088 126.595 120.400 0.178 0.000 2.352 243 K HA 0.837 5.157 4.320 -0.000 0.000 0.240 243 K C -0.906 175.827 176.600 0.222 0.000 1.017 243 K CA -0.819 55.524 56.287 0.093 0.000 0.851 243 K CB 2.711 35.114 32.500 -0.162 0.000 1.261 243 K HN 0.393 nan 8.250 nan 0.000 0.451 244 F N -1.697 118.240 119.950 -0.021 0.000 2.693 244 F HA 0.331 4.858 4.527 -0.000 0.000 0.309 244 F C -1.478 174.343 175.800 0.036 0.000 1.129 244 F CA -1.185 56.826 58.000 0.019 0.000 0.948 244 F CB 1.672 40.702 39.000 0.050 0.000 1.315 244 F HN 0.389 nan 8.300 nan 0.000 0.447 245 Q N 2.488 122.330 119.800 0.070 0.000 2.303 245 Q HA 0.274 4.614 4.340 -0.000 0.000 0.257 245 Q C -1.069 175.090 176.000 0.264 0.000 0.941 245 Q CA -0.606 55.194 55.803 -0.004 0.000 0.931 245 Q CB 1.109 29.880 28.738 0.055 0.000 1.215 245 Q HN 0.713 nan 8.270 nan 0.000 0.437 246 D N 1.839 122.289 120.400 0.084 0.000 2.433 246 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 246 D C 0.570 176.961 176.300 0.152 0.000 1.226 246 D CA -0.097 54.061 54.000 0.263 0.000 1.015 246 D CB 0.919 41.751 40.800 0.054 0.000 1.091 246 D HN 0.583 nan 8.370 nan 0.000 0.527 247 R N -0.184 120.190 120.500 -0.210 0.000 2.357 247 R HA -0.057 4.283 4.340 -0.000 0.000 0.202 247 R C 0.142 176.399 176.300 -0.071 0.000 1.047 247 R CA 0.834 56.806 56.100 -0.213 0.000 1.034 247 R CB -0.113 29.871 30.300 -0.526 0.000 0.875 247 R HN 0.358 nan 8.270 nan 0.000 0.473 248 D N -0.611 119.757 120.400 -0.053 0.000 2.559 248 D HA 0.027 4.667 4.640 -0.000 0.000 0.234 248 D C 0.709 176.997 176.300 -0.020 0.000 1.226 248 D CA -0.398 53.580 54.000 -0.037 0.000 0.830 248 D CB 0.197 40.967 40.800 -0.051 0.000 1.028 248 D HN -0.119 nan 8.370 nan 0.000 0.492 249 L N -1.526 119.701 121.223 0.007 0.000 5.272 249 L HA -0.234 4.106 4.340 -0.000 0.000 0.439 249 L C 0.028 176.878 176.870 -0.035 0.000 1.014 249 L CA 1.261 56.103 54.840 0.003 0.000 1.156 249 L CB -1.855 40.204 42.059 -0.000 0.000 1.767 249 L HN 0.368 nan 8.230 nan 0.000 0.703 250 Q N 0.490 120.253 119.800 -0.062 0.000 2.304 250 Q HA 0.426 4.766 4.340 -0.000 0.000 0.260 250 Q C 0.151 176.034 176.000 -0.196 0.000 0.965 250 Q CA -0.035 55.703 55.803 -0.108 0.000 0.898 250 Q CB 1.698 30.375 28.738 -0.101 0.000 1.196 250 Q HN 0.087 nan 8.270 nan 0.000 0.402 251 V N 4.626 124.413 119.914 -0.211 0.000 2.432 251 V HA 0.357 4.477 4.120 -0.000 0.000 0.275 251 V C 0.251 176.100 176.094 -0.408 0.000 1.043 251 V CA -0.156 61.954 62.300 -0.315 0.000 0.925 251 V CB 0.895 32.582 31.823 -0.227 0.000 0.985 251 V HN 0.685 nan 8.190 nan 0.000 0.466 252 K N 3.621 123.645 120.400 -0.626 0.000 2.499 252 K HA 0.575 4.895 4.320 -0.000 0.000 0.277 252 K C -1.510 174.843 176.600 -0.413 0.000 1.025 252 K CA -1.084 54.896 56.287 -0.512 0.000 0.900 252 K CB 1.596 33.905 32.500 -0.319 0.000 1.494 252 K HN 0.320 nan 8.250 nan 0.000 0.442 253 Y N 0.874 121.153 120.300 -0.036 0.000 2.346 253 Y HA 0.175 4.725 4.550 0.000 0.000 0.330 253 Y C 0.949 176.948 175.900 0.166 0.000 1.178 253 Y CA -0.915 57.210 58.100 0.042 0.000 1.331 253 Y CB 1.283 39.709 38.460 -0.057 0.000 1.253 253 Y HN 0.339 nan 8.280 nan 0.000 0.529 254 V N -0.192 119.947 119.914 0.375 0.000 3.133 254 V HA 0.281 4.401 4.120 -0.000 0.000 0.305 254 V C -0.762 175.359 176.094 0.044 0.000 1.084 254 V CA -0.896 61.557 62.300 0.255 0.000 1.089 254 V CB 0.744 32.581 31.823 0.023 0.000 1.073 254 V HN 0.682 nan 8.190 nan 0.000 0.477 255 H N 0.971 120.158 119.070 0.195 0.000 2.551 255 H HA 0.623 5.179 4.556 -0.000 0.000 0.321 255 H C 0.432 175.878 175.328 0.196 0.000 1.028 255 H CA 0.211 56.383 56.048 0.206 0.000 1.215 255 H CB 1.349 31.299 29.762 0.313 0.000 1.414 255 H HN 1.098 nan 8.280 nan 0.000 0.480 256 T N 0.370 115.042 114.554 0.198 0.000 2.943 256 T HA 0.668 5.018 4.350 -0.000 0.000 0.284 256 T C 0.333 175.167 174.700 0.222 0.000 1.015 256 T CA -0.785 61.442 62.100 0.211 0.000 1.042 256 T CB 1.734 70.749 68.868 0.245 0.000 1.055 256 T HN 0.614 nan 8.240 nan 0.000 0.500 257 T N -1.781 112.938 114.554 0.276 0.000 2.901 257 T HA 0.737 5.087 4.350 -0.000 0.000 0.293 257 T C -0.662 174.088 174.700 0.083 0.000 1.084 257 T CA -0.869 61.382 62.100 0.251 0.000 1.008 257 T CB 1.794 70.902 68.868 0.400 0.000 1.170 257 T HN 0.853 nan 8.240 nan 0.000 0.509 258 S N 0.850 116.552 115.700 0.003 0.000 2.536 258 S HA 0.796 5.266 4.470 -0.000 0.000 0.271 258 S C -2.023 172.409 174.600 -0.279 0.000 1.134 258 S CA -0.791 57.145 58.200 -0.440 0.000 0.897 258 S CB 0.962 63.940 63.200 -0.370 0.000 1.094 258 S HN 0.831 nan 8.310 nan 0.000 0.473 259 W N 2.013 123.041 121.300 -0.453 0.000 3.296 259 W HA 0.701 5.361 4.660 -0.000 0.000 0.314 259 W C -0.514 175.815 176.519 -0.317 0.000 1.238 259 W CA -1.294 55.849 57.345 -0.338 0.000 1.193 259 W CB 0.958 30.236 29.460 -0.303 0.000 1.383 259 W HN 1.022 nan 8.180 nan 0.000 0.545 260 G N 1.392 110.249 108.800 0.096 0.000 2.720 260 G HA2 0.639 4.599 3.960 -0.000 0.000 0.295 260 G HA3 0.639 4.599 3.960 -0.000 0.000 0.295 260 G C -2.683 172.191 174.900 -0.044 0.000 1.437 260 G CA -1.023 44.008 45.100 -0.116 0.000 0.886 260 G HN 0.753 nan 8.290 nan 0.000 0.509 261 L N 1.744 122.941 121.223 -0.043 0.000 2.439 261 L HA 0.722 5.062 4.340 -0.000 0.000 0.270 261 L C 0.315 177.437 176.870 0.420 0.000 0.972 261 L CA -0.596 54.226 54.840 -0.030 0.000 0.836 261 L CB 1.881 43.659 42.059 -0.467 0.000 1.255 261 L HN 0.820 nan 8.230 nan 0.000 0.404 262 S N 2.002 118.011 115.700 0.515 0.000 2.738 262 S HA 0.324 4.794 4.470 -0.000 0.000 0.284 262 S C 0.463 175.355 174.600 0.486 0.000 1.146 262 S CA -0.402 58.147 58.200 0.582 0.000 0.997 262 S CB 0.611 64.058 63.200 0.413 0.000 1.081 262 S HN 0.818 nan 8.310 nan 0.000 0.553 263 W N 0.429 121.677 121.300 -0.086 0.000 2.848 263 W HA 0.185 4.845 4.660 0.000 0.000 0.241 263 W C 1.709 178.312 176.519 0.141 0.000 1.289 263 W CA -0.104 57.087 57.345 -0.258 0.000 1.396 263 W CB -1.157 27.993 29.460 -0.517 0.000 1.138 263 W HN 0.867 nan 8.180 nan 0.000 0.677 264 R N 0.134 120.985 120.500 0.584 0.000 2.159 264 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 264 R C 1.821 178.296 176.300 0.292 0.000 1.131 264 R CA 1.580 57.910 56.100 0.384 0.000 0.982 264 R CB -1.000 29.442 30.300 0.238 0.000 0.868 264 R HN 0.192 nan 8.270 nan 0.000 0.453 265 F N 1.360 121.450 119.950 0.234 0.000 2.202 265 F HA -0.153 4.374 4.527 0.000 0.000 0.301 265 F C 1.814 177.671 175.800 0.095 0.000 1.082 265 F CA 1.385 59.495 58.000 0.183 0.000 1.313 265 F CB -0.040 39.121 39.000 0.268 0.000 1.024 265 F HN -0.005 nan 8.300 nan 0.000 0.495 266 I N -0.553 120.081 120.570 0.107 0.000 2.286 266 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 266 I C 2.712 178.636 176.117 -0.322 0.000 1.115 266 I CA 1.314 62.475 61.300 -0.232 0.000 1.392 266 I CB -1.230 36.360 38.000 -0.682 0.000 1.065 266 I HN 0.238 nan 8.210 nan 0.000 0.418 267 G N 0.523 109.206 108.800 -0.194 0.000 2.422 267 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 267 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 267 G C 1.874 176.727 174.900 -0.078 0.000 1.146 267 G CA 0.776 45.871 45.100 -0.008 0.000 0.769 267 G HN 0.482 nan 8.290 nan 0.000 0.547 268 A N 0.778 123.496 122.820 -0.170 0.000 1.933 268 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 268 A C 2.389 179.812 177.584 -0.269 0.000 1.175 268 A CA 1.253 53.147 52.037 -0.239 0.000 0.628 268 A CB -0.333 18.462 19.000 -0.341 0.000 0.814 268 A HN 0.389 nan 8.150 nan 0.000 0.444 269 I N -0.376 120.019 120.570 -0.293 0.000 2.142 269 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 269 I C 2.357 178.441 176.117 -0.055 0.000 1.078 269 I CA 1.463 62.663 61.300 -0.167 0.000 1.343 269 I CB -0.414 37.524 38.000 -0.103 0.000 1.046 269 I HN 0.318 nan 8.210 nan 0.000 0.405 270 I N 0.395 120.950 120.570 -0.025 0.000 2.099 270 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 270 I C 2.384 178.644 176.117 0.238 0.000 1.066 270 I CA 1.788 63.148 61.300 0.100 0.000 1.324 270 I CB -0.293 37.758 38.000 0.086 0.000 1.037 270 I HN 0.213 nan 8.210 nan 0.000 0.401 271 M N -0.447 119.267 119.600 0.190 0.000 2.659 271 M HA -0.053 4.427 4.480 -0.000 0.000 0.243 271 M C 1.589 177.880 176.300 -0.016 0.000 1.111 271 M CA 0.932 56.372 55.300 0.234 0.000 1.070 271 M CB -0.348 32.367 32.600 0.193 0.000 1.525 271 M HN 0.234 nan 8.290 nan 0.000 0.517 272 T N -1.776 112.653 114.554 -0.209 0.000 3.042 272 T HA 0.060 4.410 4.350 -0.000 0.000 0.245 272 T C 1.465 175.845 174.700 -0.533 0.000 1.029 272 T CA 0.706 62.517 62.100 -0.482 0.000 1.120 272 T CB 0.116 68.571 68.868 -0.688 0.000 0.917 272 T HN 0.380 nan 8.240 nan 0.000 0.467 273 H N 0.199 119.235 119.070 -0.058 0.000 2.855 273 H HA 0.364 4.920 4.556 -0.000 0.000 0.259 273 H C 1.486 176.815 175.328 0.002 0.000 0.972 273 H CA -0.192 55.826 56.048 -0.051 0.000 1.213 273 H CB -0.344 29.410 29.762 -0.013 0.000 1.451 273 H HN 0.292 nan 8.280 nan 0.000 0.484 274 G N 2.151 111.068 108.800 0.195 0.000 2.474 274 G HA2 0.187 4.147 3.960 -0.000 0.000 0.233 274 G HA3 0.187 4.147 3.960 -0.000 0.000 0.233 274 G C -0.093 174.834 174.900 0.046 0.000 1.278 274 G CA 0.132 45.426 45.100 0.322 0.000 0.861 274 G HN 0.377 nan 8.290 nan 0.000 0.567 275 D N -0.824 119.662 120.400 0.144 0.000 2.758 275 D HA 0.253 4.893 4.640 -0.000 0.000 0.279 275 D C 0.263 176.603 176.300 0.068 0.000 1.111 275 D CA -0.753 53.223 54.000 -0.041 0.000 1.109 275 D CB 0.301 41.107 40.800 0.009 0.000 1.428 275 D HN 0.162 nan 8.370 nan 0.000 0.586 276 D N -1.032 119.372 120.400 0.007 0.000 2.264 276 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 276 D C 1.421 177.836 176.300 0.192 0.000 0.966 276 D CA 0.776 54.839 54.000 0.105 0.000 0.864 276 D CB 0.011 40.831 40.800 0.034 0.000 0.933 276 D HN 0.308 nan 8.370 nan 0.000 0.499 277 R N -0.381 120.214 120.500 0.159 0.000 2.310 277 R HA 0.351 4.691 4.340 -0.000 0.000 0.202 277 R C 1.150 177.547 176.300 0.162 0.000 0.933 277 R CA 0.389 56.575 56.100 0.142 0.000 1.054 277 R CB 0.631 31.002 30.300 0.119 0.000 0.985 277 R HN 0.125 nan 8.270 nan 0.000 0.489 278 G N 0.264 109.221 108.800 0.262 0.000 2.337 278 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.197 278 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.197 278 G C -0.812 174.247 174.900 0.266 0.000 1.238 278 G CA -1.038 44.195 45.100 0.223 0.000 1.119 278 G HN 0.011 nan 8.290 nan 0.000 0.514 279 L N -0.156 121.156 121.223 0.149 0.000 2.473 279 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 279 L C 0.277 177.255 176.870 0.178 0.000 1.215 279 L CA -0.440 54.498 54.840 0.164 0.000 0.823 279 L CB 0.774 42.898 42.059 0.108 0.000 1.099 279 L HN 0.494 nan 8.230 nan 0.000 0.483 280 V N 3.266 123.293 119.914 0.188 0.000 2.555 280 V HA 0.309 4.429 4.120 -0.000 0.000 0.283 280 V C -0.240 175.962 176.094 0.180 0.000 1.020 280 V CA -0.379 62.029 62.300 0.180 0.000 0.883 280 V CB 1.486 33.400 31.823 0.152 0.000 1.030 280 V HN 0.480 nan 8.190 nan 0.000 0.448 281 L N 6.691 128.013 121.223 0.165 0.000 2.307 281 L HA 0.536 4.876 4.340 -0.000 0.000 0.282 281 L C -2.035 174.924 176.870 0.148 0.000 1.051 281 L CA -1.781 53.139 54.840 0.134 0.000 0.804 281 L CB 2.125 44.238 42.059 0.090 0.000 1.197 281 L HN 0.348 nan 8.230 nan 0.000 0.431 282 P HA 0.108 nan 4.420 nan 0.000 0.267 282 P C -2.323 175.085 177.300 0.180 0.000 1.205 282 P CA -1.360 61.841 63.100 0.168 0.000 0.765 282 P CB 0.629 32.441 31.700 0.186 0.000 0.828 283 P HA -0.154 nan 4.420 nan 0.000 0.216 283 P C 1.064 178.411 177.300 0.079 0.000 1.154 283 P CA 1.796 64.939 63.100 0.071 0.000 0.865 283 P CB -0.129 31.622 31.700 0.086 0.000 0.789 284 R N -1.005 119.566 120.500 0.118 0.000 2.319 284 R HA 0.201 4.541 4.340 -0.000 0.000 0.204 284 R C 1.318 177.717 176.300 0.164 0.000 0.954 284 R CA 0.497 56.659 56.100 0.105 0.000 1.066 284 R CB -0.305 30.005 30.300 0.017 0.000 0.991 284 R HN 0.326 nan 8.270 nan 0.000 0.486 285 L N -0.654 120.653 121.223 0.139 0.000 3.284 285 L HA 0.305 4.645 4.340 -0.000 0.000 0.294 285 L C 0.368 177.266 176.870 0.048 0.000 1.183 285 L CA -0.317 54.588 54.840 0.110 0.000 1.056 285 L CB 0.633 42.793 42.059 0.168 0.000 1.513 285 L HN -0.031 nan 8.230 nan 0.000 0.601 286 A N 1.919 124.768 122.820 0.048 0.000 2.524 286 A HA 0.249 4.569 4.320 -0.000 0.000 0.250 286 A C -1.412 176.179 177.584 0.011 0.000 1.078 286 A CA -0.815 51.233 52.037 0.018 0.000 0.761 286 A CB -0.157 18.862 19.000 0.032 0.000 1.012 286 A HN -0.003 nan 8.150 nan 0.000 0.500 287 P HA -0.039 nan 4.420 nan 0.000 0.218 287 P C 0.099 177.452 177.300 0.088 0.000 1.149 287 P CA 1.240 64.361 63.100 0.034 0.000 0.817 287 P CB 0.086 31.799 31.700 0.020 0.000 0.785 288 I N -0.210 120.438 120.570 0.130 0.000 2.418 288 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 288 I C 1.229 177.368 176.117 0.036 0.000 1.008 288 I CA -0.471 60.872 61.300 0.072 0.000 1.104 288 I CB 2.160 40.188 38.000 0.048 0.000 1.264 288 I HN -0.245 nan 8.210 nan 0.000 0.438 289 Q N 3.637 123.437 119.800 -0.001 0.000 2.373 289 Q HA 0.244 4.584 4.340 -0.000 0.000 0.210 289 Q C -0.284 175.711 176.000 -0.009 0.000 0.913 289 Q CA 0.634 56.427 55.803 -0.016 0.000 0.911 289 Q CB 1.207 29.931 28.738 -0.023 0.000 1.040 289 Q HN 0.487 nan 8.270 nan 0.000 0.521 290 V N 0.670 120.561 119.914 -0.039 0.000 2.760 290 V HA 0.389 4.509 4.120 -0.000 0.000 0.309 290 V C -1.203 174.813 176.094 -0.129 0.000 1.077 290 V CA -0.880 61.387 62.300 -0.054 0.000 0.910 290 V CB 2.350 34.128 31.823 -0.076 0.000 1.008 290 V HN -0.104 nan 8.190 nan 0.000 0.424 291 V N 6.306 126.111 119.914 -0.182 0.000 2.487 291 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 291 V C -0.581 175.372 176.094 -0.235 0.000 1.028 291 V CA -0.369 61.725 62.300 -0.344 0.000 0.860 291 V CB 1.661 33.079 31.823 -0.675 0.000 0.991 291 V HN 0.755 nan 8.190 nan 0.000 0.427 292 I N 7.317 127.750 120.570 -0.229 0.000 2.304 292 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 292 I C -0.453 175.595 176.117 -0.114 0.000 1.018 292 I CA -0.632 60.585 61.300 -0.138 0.000 1.260 292 I CB 1.650 39.578 38.000 -0.120 0.000 1.390 292 I HN 0.276 nan 8.210 nan 0.000 0.475 293 V N 8.991 128.893 119.914 -0.020 0.000 2.328 293 V HA 0.312 4.432 4.120 -0.000 0.000 0.278 293 V C -2.056 174.040 176.094 0.004 0.000 1.021 293 V CA -1.590 60.739 62.300 0.049 0.000 0.838 293 V CB 1.157 33.141 31.823 0.268 0.000 0.999 293 V HN 0.580 nan 8.190 nan 0.000 0.447 294 P HA 0.488 nan 4.420 nan 0.000 0.292 294 P C -0.802 176.297 177.300 -0.336 0.000 1.287 294 P CA -0.271 62.741 63.100 -0.148 0.000 0.800 294 P CB 1.742 33.368 31.700 -0.123 0.000 0.945 295 I N 5.277 125.703 120.570 -0.240 0.000 2.441 295 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 295 I C -0.067 175.961 176.117 -0.148 0.000 0.994 295 I CA -0.670 60.474 61.300 -0.260 0.000 1.144 295 I CB 1.280 39.241 38.000 -0.066 0.000 1.314 295 I HN 0.435 nan 8.210 nan 0.000 0.445 296 Y N 3.371 123.681 120.300 0.017 0.000 2.955 296 Y HA 0.654 5.204 4.550 -0.000 0.000 0.330 296 Y C -1.794 174.110 175.900 0.007 0.000 1.480 296 Y CA -2.263 55.845 58.100 0.013 0.000 1.096 296 Y CB 0.739 39.206 38.460 0.012 0.000 1.828 296 Y HN 0.361 nan 8.280 nan 0.000 0.428 297 K N -0.126 120.432 120.400 0.263 0.000 2.551 297 K HA 0.289 4.609 4.320 -0.000 0.000 0.269 297 K C -0.834 175.718 176.600 -0.081 0.000 0.949 297 K CA -0.592 55.743 56.287 0.080 0.000 0.849 297 K CB 2.649 35.187 32.500 0.064 0.000 1.411 297 K HN 0.616 nan 8.250 nan 0.000 0.432 298 D N 1.435 121.769 120.400 -0.111 0.000 2.191 298 D HA -0.298 4.342 4.640 -0.000 0.000 0.190 298 D C 1.261 177.495 176.300 -0.110 0.000 1.007 298 D CA 2.048 55.962 54.000 -0.144 0.000 0.865 298 D CB 0.120 40.866 40.800 -0.089 0.000 0.929 298 D HN 0.708 nan 8.370 nan 0.000 0.447 299 E N 0.270 120.434 120.200 -0.059 0.000 2.516 299 E HA -0.050 4.300 4.350 -0.000 0.000 0.199 299 E C 0.872 177.454 176.600 -0.030 0.000 1.069 299 E CA 1.030 57.407 56.400 -0.038 0.000 0.876 299 E CB 0.008 29.697 29.700 -0.018 0.000 0.843 299 E HN 0.399 nan 8.360 nan 0.000 0.530 300 S N -0.354 115.323 115.700 -0.038 0.000 2.679 300 S HA 0.141 4.611 4.470 -0.000 0.000 0.258 300 S C 1.667 176.254 174.600 -0.022 0.000 1.068 300 S CA -0.326 57.873 58.200 -0.002 0.000 1.115 300 S CB 0.018 63.248 63.200 0.051 0.000 1.078 300 S HN 0.158 nan 8.310 nan 0.000 0.603 301 R N 1.760 122.154 120.500 -0.176 0.000 2.211 301 R HA -0.097 4.243 4.340 -0.000 0.000 0.240 301 R C 1.434 177.646 176.300 -0.147 0.000 1.144 301 R CA 1.680 57.540 56.100 -0.401 0.000 0.992 301 R CB -0.106 29.762 30.300 -0.721 0.000 0.869 301 R HN 0.444 nan 8.270 nan 0.000 0.462 302 E N 0.747 120.898 120.200 -0.081 0.000 2.021 302 E HA -0.188 4.162 4.350 -0.000 0.000 0.189 302 E C 2.056 178.660 176.600 0.006 0.000 0.980 302 E CA 1.505 57.884 56.400 -0.035 0.000 0.803 302 E CB -0.272 29.408 29.700 -0.033 0.000 0.766 302 E HN 0.571 nan 8.360 nan 0.000 0.449 303 R N 1.017 121.526 120.500 0.015 0.000 2.092 303 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 303 R C 2.336 178.668 176.300 0.053 0.000 1.119 303 R CA 1.178 57.295 56.100 0.029 0.000 0.970 303 R CB -0.927 29.388 30.300 0.025 0.000 0.864 303 R HN -0.066 nan 8.270 nan 0.000 0.440 304 V N 2.296 122.265 119.914 0.092 0.000 2.237 304 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 304 V C 2.560 178.727 176.094 0.121 0.000 1.046 304 V CA 1.785 64.162 62.300 0.129 0.000 1.007 304 V CB -0.538 31.430 31.823 0.241 0.000 0.638 304 V HN 0.273 nan 8.190 nan 0.000 0.445 305 L N -0.129 121.190 121.223 0.160 0.000 2.127 305 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 305 L C 2.601 179.507 176.870 0.059 0.000 1.089 305 L CA 1.895 56.808 54.840 0.123 0.000 0.757 305 L CB -0.501 41.636 42.059 0.131 0.000 0.899 305 L HN 0.517 nan 8.230 nan 0.000 0.434 306 E N 0.418 120.645 120.200 0.045 0.000 2.028 306 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 306 E C 2.248 178.860 176.600 0.019 0.000 0.988 306 E CA 1.195 57.610 56.400 0.024 0.000 0.799 306 E CB -0.008 29.703 29.700 0.018 0.000 0.755 306 E HN 0.424 nan 8.360 nan 0.000 0.447 307 A N 1.321 124.155 122.820 0.024 0.000 1.908 307 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 307 A C 2.419 180.007 177.584 0.006 0.000 1.181 307 A CA 2.011 54.056 52.037 0.014 0.000 0.627 307 A CB -0.897 18.115 19.000 0.019 0.000 0.818 307 A HN 0.442 nan 8.150 nan 0.000 0.445 308 A N -0.862 121.965 122.820 0.012 0.000 1.877 308 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 308 A C 2.132 179.707 177.584 -0.015 0.000 1.186 308 A CA 1.607 53.640 52.037 -0.005 0.000 0.620 308 A CB -0.596 18.404 19.000 0.000 0.000 0.822 308 A HN 0.594 nan 8.150 nan 0.000 0.443 309 Q N -0.716 119.082 119.800 -0.003 0.000 2.124 309 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 309 Q C 2.198 178.191 176.000 -0.012 0.000 0.977 309 Q CA 1.429 57.227 55.803 -0.008 0.000 0.850 309 Q CB -0.513 28.227 28.738 0.002 0.000 0.901 309 Q HN 0.697 nan 8.270 nan 0.000 0.429 310 G N 1.276 110.071 108.800 -0.008 0.000 2.421 310 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 310 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 310 G C 1.450 176.339 174.900 -0.019 0.000 1.171 310 G CA 0.617 45.711 45.100 -0.011 0.000 0.775 310 G HN 0.277 nan 8.290 nan 0.000 0.543 311 L N 0.583 121.792 121.223 -0.023 0.000 2.083 311 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 311 L C 2.736 179.582 176.870 -0.040 0.000 1.083 311 L CA 1.992 56.813 54.840 -0.033 0.000 0.752 311 L CB -0.544 41.493 42.059 -0.037 0.000 0.899 311 L HN 0.224 nan 8.230 nan 0.000 0.433 312 R N -1.170 119.306 120.500 -0.040 0.000 2.096 312 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 312 R C 2.273 178.554 176.300 -0.032 0.000 1.139 312 R CA 1.839 57.913 56.100 -0.043 0.000 0.952 312 R CB -0.139 30.136 30.300 -0.042 0.000 0.854 312 R HN 0.457 nan 8.270 nan 0.000 0.436 313 Q N -0.218 119.568 119.800 -0.024 0.000 2.046 313 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 313 Q C 2.106 178.092 176.000 -0.024 0.000 0.975 313 Q CA 1.677 57.468 55.803 -0.019 0.000 0.836 313 Q CB -0.463 28.267 28.738 -0.014 0.000 0.896 313 Q HN 0.432 nan 8.270 nan 0.000 0.428 314 A N 0.917 123.721 122.820 -0.027 0.000 1.908 314 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 314 A C 2.240 179.801 177.584 -0.038 0.000 1.181 314 A CA 1.308 53.327 52.037 -0.031 0.000 0.627 314 A CB -0.738 18.242 19.000 -0.033 0.000 0.818 314 A HN 0.329 nan 8.150 nan 0.000 0.445 315 L N -0.927 120.270 121.223 -0.044 0.000 2.156 315 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 315 L C 2.420 179.264 176.870 -0.043 0.000 1.095 315 L CA 0.626 55.435 54.840 -0.053 0.000 0.770 315 L CB -0.391 41.629 42.059 -0.064 0.000 0.914 315 L HN 0.369 nan 8.230 nan 0.000 0.439 316 L N -0.425 120.778 121.223 -0.032 0.000 2.141 316 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 316 L C 2.826 179.682 176.870 -0.023 0.000 1.094 316 L CA 0.824 55.650 54.840 -0.024 0.000 0.763 316 L CB -0.638 41.411 42.059 -0.015 0.000 0.908 316 L HN 0.220 nan 8.230 nan 0.000 0.437 317 A N -0.647 122.158 122.820 -0.024 0.000 1.972 317 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 317 A C 2.135 179.704 177.584 -0.026 0.000 1.169 317 A CA 1.213 53.237 52.037 -0.023 0.000 0.635 317 A CB -0.241 18.745 19.000 -0.023 0.000 0.810 317 A HN 0.371 nan 8.150 nan 0.000 0.446 318 Q N -1.445 118.335 119.800 -0.033 0.000 2.451 318 Q HA 0.133 4.473 4.340 -0.000 0.000 0.206 318 Q C 1.212 177.192 176.000 -0.034 0.000 0.947 318 Q CA 0.793 56.574 55.803 -0.037 0.000 0.937 318 Q CB -0.068 28.641 28.738 -0.050 0.000 1.025 318 Q HN 1.005 nan 8.270 nan 0.000 0.511 319 G N 0.877 109.659 108.800 -0.029 0.000 2.137 319 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 319 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 319 G C -0.065 174.819 174.900 -0.027 0.000 1.002 319 G CA -0.000 45.085 45.100 -0.024 0.000 0.702 319 G HN 0.275 nan 8.290 nan 0.000 0.515 320 L N 0.075 121.277 121.223 -0.035 0.000 2.350 320 L HA 0.469 4.809 4.340 -0.000 0.000 0.275 320 L C 1.240 178.093 176.870 -0.029 0.000 1.099 320 L CA -0.810 54.006 54.840 -0.041 0.000 0.808 320 L CB 0.826 42.848 42.059 -0.063 0.000 1.149 320 L HN 0.076 nan 8.230 nan 0.000 0.442 321 R N 2.527 123.015 120.500 -0.021 0.000 2.308 321 R HA 0.277 4.617 4.340 -0.000 0.000 0.325 321 R C -0.473 175.820 176.300 -0.012 0.000 1.161 321 R CA -0.233 55.863 56.100 -0.007 0.000 1.022 321 R CB 0.879 31.182 30.300 0.005 0.000 1.091 321 R HN 0.374 nan 8.270 nan 0.000 0.497 322 V N 2.659 122.565 119.914 -0.013 0.000 2.975 322 V HA 0.449 4.569 4.120 -0.000 0.000 0.318 322 V C -1.159 174.947 176.094 0.021 0.000 1.077 322 V CA -0.665 61.619 62.300 -0.027 0.000 1.000 322 V CB 1.868 33.661 31.823 -0.050 0.000 1.066 322 V HN 0.829 nan 8.190 nan 0.000 0.452 323 H N 3.811 122.787 119.070 -0.157 0.000 3.042 323 H HA 0.544 5.100 4.556 -0.000 0.000 0.345 323 H C -1.662 173.545 175.328 -0.202 0.000 1.052 323 H CA -0.574 55.368 56.048 -0.177 0.000 1.311 323 H CB 1.506 31.108 29.762 -0.267 0.000 1.810 323 H HN 0.767 nan 8.280 nan 0.000 0.505 324 L N 4.005 124.862 121.223 -0.610 0.000 2.276 324 L HA 0.360 4.700 4.340 -0.000 0.000 0.286 324 L C -0.502 175.977 176.870 -0.651 0.000 1.061 324 L CA -0.161 54.389 54.840 -0.483 0.000 0.807 324 L CB 0.999 42.924 42.059 -0.223 0.000 1.177 324 L HN 0.757 nan 8.230 nan 0.000 0.429 325 D N 3.102 123.266 120.400 -0.394 0.000 2.500 325 D HA 0.147 4.787 4.640 -0.000 0.000 0.219 325 D C 0.454 176.754 176.300 0.001 0.000 1.137 325 D CA 0.011 53.940 54.000 -0.118 0.000 0.946 325 D CB 0.514 41.404 40.800 0.149 0.000 1.022 325 D HN 0.576 nan 8.370 nan 0.000 0.518 326 D N 1.886 122.295 120.400 0.016 0.000 2.097 326 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 326 D C 0.321 176.694 176.300 0.123 0.000 0.984 326 D CA 0.482 54.524 54.000 0.070 0.000 0.826 326 D CB 0.096 40.941 40.800 0.075 0.000 0.973 326 D HN 0.418 nan 8.370 nan 0.000 0.460 327 R N 2.105 122.696 120.500 0.152 0.000 4.489 327 R HA -0.174 4.166 4.340 -0.000 0.000 0.116 327 R C 0.626 177.020 176.300 0.156 0.000 0.264 327 R CA 0.131 56.339 56.100 0.180 0.000 0.826 327 R CB -0.222 30.250 30.300 0.287 0.000 1.062 327 R HN 0.248 nan 8.270 nan 0.000 0.237 328 D N 2.422 122.899 120.400 0.128 0.000 2.347 328 D HA -0.099 4.541 4.640 -0.000 0.000 0.215 328 D C 0.569 176.896 176.300 0.046 0.000 0.976 328 D CA 0.953 55.036 54.000 0.139 0.000 0.884 328 D CB 0.473 41.342 40.800 0.114 0.000 0.915 328 D HN 0.527 nan 8.370 nan 0.000 0.526 329 Q N -0.457 119.314 119.800 -0.049 0.000 2.365 329 Q HA 0.126 4.466 4.340 -0.000 0.000 0.203 329 Q C -0.175 175.546 176.000 -0.464 0.000 0.929 329 Q CA 0.484 56.140 55.803 -0.245 0.000 0.948 329 Q CB 0.336 28.872 28.738 -0.337 0.000 1.043 329 Q HN 0.225 nan 8.270 nan 0.000 0.505 330 H N -0.919 118.135 119.070 -0.027 0.000 2.806 330 H HA 0.296 4.852 4.556 -0.000 0.000 0.367 330 H C -0.609 174.713 175.328 -0.010 0.000 1.136 330 H CA -0.688 55.318 56.048 -0.071 0.000 1.178 330 H CB 1.890 31.661 29.762 0.015 0.000 1.718 330 H HN 0.020 nan 8.280 nan 0.000 0.540 331 T N 1.964 116.587 114.554 0.116 0.000 2.900 331 T HA 0.061 4.411 4.350 -0.000 0.000 0.307 331 T C -1.477 173.208 174.700 -0.024 0.000 1.065 331 T CA -1.083 61.037 62.100 0.034 0.000 1.105 331 T CB 0.612 69.494 68.868 0.023 0.000 0.979 331 T HN 0.312 nan 8.240 nan 0.000 0.544 332 P HA 0.017 nan 4.420 nan 0.000 0.215 332 P C 1.548 178.341 177.300 -0.845 0.000 1.153 332 P CA 1.241 64.039 63.100 -0.504 0.000 0.853 332 P CB -0.255 31.124 31.700 -0.535 0.000 0.788 333 G N -1.503 106.970 108.800 -0.545 0.000 2.462 333 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 333 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 333 G C 1.531 176.387 174.900 -0.073 0.000 1.121 333 G CA 0.541 45.429 45.100 -0.354 0.000 0.758 333 G HN 0.263 nan 8.290 nan 0.000 0.559 334 Y N 1.306 121.538 120.300 -0.113 0.000 2.220 334 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 334 Y C 2.716 178.569 175.900 -0.078 0.000 1.129 334 Y CA 1.749 59.830 58.100 -0.033 0.000 1.161 334 Y CB -0.088 38.345 38.460 -0.045 0.000 0.997 334 Y HN 0.131 nan 8.280 nan 0.000 0.522 335 K N -0.545 119.798 120.400 -0.095 0.000 2.057 335 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 335 K C 1.831 178.503 176.600 0.120 0.000 1.049 335 K CA 1.502 57.749 56.287 -0.067 0.000 0.931 335 K CB -0.417 32.197 32.500 0.190 0.000 0.714 335 K HN 0.211 nan 8.250 nan 0.000 0.440 336 F N 1.337 121.262 119.950 -0.041 0.000 2.091 336 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 336 F C 2.452 178.156 175.800 -0.161 0.000 1.103 336 F CA 1.314 59.267 58.000 -0.079 0.000 1.228 336 F CB -1.265 37.614 39.000 -0.201 0.000 0.984 336 F HN 0.186 nan 8.300 nan 0.000 0.477 337 H N -0.270 118.842 119.070 0.070 0.000 2.387 337 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 337 H C 2.189 177.381 175.328 -0.227 0.000 1.090 337 H CA 1.521 57.527 56.048 -0.070 0.000 1.332 337 H CB -0.533 29.163 29.762 -0.111 0.000 1.386 337 H HN 0.418 nan 8.280 nan 0.000 0.516 338 E N 0.547 120.524 120.200 -0.373 0.000 2.051 338 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 338 E C 1.661 177.931 176.600 -0.550 0.000 0.991 338 E CA 1.371 57.374 56.400 -0.661 0.000 0.799 338 E CB -0.230 28.795 29.700 -1.126 0.000 0.748 338 E HN 0.446 nan 8.360 nan 0.000 0.449 339 W N 0.908 122.165 121.300 -0.072 0.000 2.800 339 W HA 0.085 4.745 4.660 0.000 0.000 0.249 339 W C 1.980 178.494 176.519 -0.009 0.000 1.294 339 W CA 0.116 57.440 57.345 -0.036 0.000 1.402 339 W CB 0.287 29.749 29.460 0.004 0.000 1.126 339 W HN 0.149 nan 8.180 nan 0.000 0.652 340 E N 0.199 120.489 120.200 0.151 0.000 2.230 340 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 340 E C 2.001 178.661 176.600 0.099 0.000 0.987 340 E CA 0.615 57.086 56.400 0.119 0.000 0.841 340 E CB -0.252 29.508 29.700 0.099 0.000 0.783 340 E HN 0.227 nan 8.360 nan 0.000 0.481 341 L N 1.616 122.862 121.223 0.038 0.000 2.072 341 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 341 L C 1.661 178.547 176.870 0.026 0.000 1.079 341 L CA 1.746 56.588 54.840 0.002 0.000 0.752 341 L CB 0.043 42.046 42.059 -0.093 0.000 0.906 341 L HN -0.165 nan 8.230 nan 0.000 0.436 342 K N -0.171 120.253 120.400 0.039 0.000 2.487 342 K HA 0.222 4.542 4.320 -0.000 0.000 0.192 342 K C 0.979 177.764 176.600 0.309 0.000 1.027 342 K CA 0.576 56.960 56.287 0.161 0.000 1.054 342 K CB -0.193 32.305 32.500 -0.004 0.000 0.824 342 K HN 0.501 nan 8.250 nan 0.000 0.510 343 G N 1.532 110.462 108.800 0.217 0.000 2.176 343 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 343 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 343 G C 0.116 175.127 174.900 0.185 0.000 1.024 343 G CA -0.061 45.158 45.100 0.198 0.000 0.755 343 G HN 0.140 nan 8.290 nan 0.000 0.507 344 V N 0.638 120.672 119.914 0.201 0.000 2.485 344 V HA 0.121 4.241 4.120 -0.000 0.000 0.287 344 V C 0.087 176.164 176.094 -0.028 0.000 1.022 344 V CA -0.243 62.122 62.300 0.109 0.000 1.067 344 V CB 1.204 33.094 31.823 0.112 0.000 0.967 344 V HN 0.153 nan 8.190 nan 0.000 0.479 345 P HA -0.094 nan 4.420 nan 0.000 0.215 345 P C -0.087 176.790 177.300 -0.706 0.000 1.157 345 P CA 1.454 64.128 63.100 -0.710 0.000 0.874 345 P CB 0.171 31.208 31.700 -1.104 0.000 0.790 346 F N -2.533 117.263 119.950 -0.256 0.000 2.577 346 F HA 0.525 5.052 4.527 0.000 0.000 0.318 346 F C 0.575 176.293 175.800 -0.138 0.000 1.065 346 F CA -0.976 56.926 58.000 -0.164 0.000 0.929 346 F CB 1.960 40.859 39.000 -0.169 0.000 1.237 346 F HN -0.478 nan 8.300 nan 0.000 0.468 347 R N 1.484 122.044 120.500 0.100 0.000 2.575 347 R HA 0.773 5.113 4.340 -0.000 0.000 0.293 347 R C -2.263 174.028 176.300 -0.015 0.000 0.983 347 R CA -0.580 55.507 56.100 -0.022 0.000 0.887 347 R CB 1.934 32.165 30.300 -0.114 0.000 1.184 347 R HN 0.552 nan 8.270 nan 0.000 0.445 348 V N 4.014 123.906 119.914 -0.038 0.000 2.384 348 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 348 V C -0.421 175.663 176.094 -0.018 0.000 1.020 348 V CA -0.679 61.601 62.300 -0.032 0.000 0.850 348 V CB 1.579 33.374 31.823 -0.047 0.000 0.987 348 V HN 0.785 nan 8.190 nan 0.000 0.436 349 E N 5.298 125.495 120.200 -0.005 0.000 2.109 349 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 349 E C -1.006 175.613 176.600 0.033 0.000 0.954 349 E CA -0.355 56.071 56.400 0.044 0.000 0.779 349 E CB 1.923 31.661 29.700 0.064 0.000 1.093 349 E HN 0.497 nan 8.360 nan 0.000 0.401 350 L N 3.224 124.463 121.223 0.027 0.000 2.294 350 L HA 0.486 4.826 4.340 -0.000 0.000 0.283 350 L C 0.312 177.197 176.870 0.024 0.000 1.015 350 L CA -0.435 54.416 54.840 0.019 0.000 0.831 350 L CB 1.242 43.306 42.059 0.007 0.000 1.217 350 L HN 0.616 nan 8.230 nan 0.000 0.420 351 G N 3.315 112.136 108.800 0.035 0.000 2.887 351 G HA2 0.483 4.443 3.960 -0.000 0.000 0.277 351 G HA3 0.483 4.443 3.960 -0.000 0.000 0.277 351 G C -2.368 172.566 174.900 0.057 0.000 1.346 351 G CA -0.960 44.167 45.100 0.045 0.000 1.058 351 G HN 0.366 nan 8.290 nan 0.000 0.535 352 P HA -0.064 nan 4.420 nan 0.000 0.213 352 P C 1.784 179.111 177.300 0.046 0.000 1.170 352 P CA 1.909 65.049 63.100 0.067 0.000 0.893 352 P CB 0.094 31.836 31.700 0.070 0.000 0.784 353 K N -0.486 119.939 120.400 0.040 0.000 2.103 353 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 353 K C 1.272 177.888 176.600 0.027 0.000 1.048 353 K CA 1.722 58.027 56.287 0.031 0.000 0.930 353 K CB -1.100 31.418 32.500 0.029 0.000 0.716 353 K HN 0.034 nan 8.250 nan 0.000 0.444 354 D N 0.855 121.272 120.400 0.029 0.000 2.403 354 D HA -0.087 4.553 4.640 -0.000 0.000 0.227 354 D C 1.547 177.858 176.300 0.019 0.000 0.995 354 D CA 0.485 54.498 54.000 0.022 0.000 0.928 354 D CB 0.110 40.923 40.800 0.023 0.000 0.887 354 D HN 0.180 nan 8.370 nan 0.000 0.529 355 L N 0.838 122.074 121.223 0.022 0.000 2.062 355 L HA -0.023 4.317 4.340 -0.000 0.000 0.202 355 L C 2.218 179.096 176.870 0.013 0.000 1.079 355 L CA 1.516 56.367 54.840 0.018 0.000 0.755 355 L CB -0.548 41.524 42.059 0.022 0.000 0.913 355 L HN -0.137 nan 8.230 nan 0.000 0.445 356 E N -0.898 119.310 120.200 0.014 0.000 2.160 356 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 356 E C 1.906 178.512 176.600 0.010 0.000 0.991 356 E CA 1.153 57.560 56.400 0.011 0.000 0.810 356 E CB -0.352 29.355 29.700 0.011 0.000 0.742 356 E HN 0.621 nan 8.360 nan 0.000 0.466 357 G N -0.175 108.632 108.800 0.011 0.000 2.421 357 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.217 357 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.217 357 G C 1.294 176.198 174.900 0.007 0.000 1.143 357 G CA 0.587 45.693 45.100 0.010 0.000 0.784 357 G HN 0.576 nan 8.290 nan 0.000 0.541 358 G N -1.251 107.553 108.800 0.006 0.000 2.179 358 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 358 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 358 G C 0.365 175.265 174.900 0.000 0.000 0.977 358 G CA 0.721 45.822 45.100 0.003 0.000 0.641 358 G HN 0.654 nan 8.290 nan 0.000 0.533 359 Q N -0.488 119.314 119.800 0.003 0.000 2.333 359 Q HA 0.833 5.173 4.340 -0.000 0.000 0.266 359 Q C -0.029 175.972 176.000 0.002 0.000 1.053 359 Q CA -0.250 55.554 55.803 0.001 0.000 0.890 359 Q CB 2.188 30.928 28.738 0.003 0.000 1.337 359 Q HN 0.975 nan 8.270 nan 0.000 0.474 360 A N 0.168 122.988 122.820 -0.001 0.000 2.593 360 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 360 A C -1.455 176.129 177.584 0.000 0.000 1.126 360 A CA -0.551 51.486 52.037 0.001 0.000 0.695 360 A CB 1.461 20.456 19.000 -0.008 0.000 1.290 360 A HN 0.347 nan 8.150 nan 0.000 0.414 361 V N 1.027 120.942 119.914 0.002 0.000 2.370 361 V HA 0.489 4.609 4.120 -0.000 0.000 0.283 361 V C -0.720 175.371 176.094 -0.005 0.000 1.023 361 V CA -0.334 61.966 62.300 0.000 0.000 0.857 361 V CB 1.067 32.890 31.823 -0.000 0.000 0.985 361 V HN 0.730 nan 8.190 nan 0.000 0.443 362 L N 5.474 126.704 121.223 0.013 0.000 2.280 362 L HA 0.849 5.189 4.340 -0.000 0.000 0.287 362 L C 0.168 177.092 176.870 0.090 0.000 1.023 362 L CA -0.038 54.832 54.840 0.051 0.000 0.819 362 L CB 1.051 43.135 42.059 0.042 0.000 1.212 362 L HN 0.730 nan 8.230 nan 0.000 0.420 363 A N 3.609 126.475 122.820 0.076 0.000 2.318 363 A HA 0.726 5.046 4.320 -0.000 0.000 0.317 363 A C -0.346 177.244 177.584 0.011 0.000 1.159 363 A CA -0.233 51.812 52.037 0.013 0.000 0.799 363 A CB 1.028 19.953 19.000 -0.126 0.000 1.194 363 A HN 0.779 nan 8.150 nan 0.000 0.479 364 S N 1.706 117.371 115.700 -0.059 0.000 2.578 364 S HA 0.435 4.905 4.470 -0.000 0.000 0.283 364 S C 0.722 175.244 174.600 -0.130 0.000 1.195 364 S CA -0.538 57.473 58.200 -0.315 0.000 1.050 364 S CB 1.368 64.336 63.200 -0.387 0.000 1.012 364 S HN 0.715 nan 8.310 nan 0.000 0.511 365 R N 0.896 121.355 120.500 -0.068 0.000 2.377 365 R HA 0.162 4.502 4.340 -0.000 0.000 0.207 365 R C 0.668 176.974 176.300 0.010 0.000 1.075 365 R CA 0.999 57.118 56.100 0.032 0.000 1.035 365 R CB -0.856 29.521 30.300 0.129 0.000 0.857 365 R HN 0.653 nan 8.270 nan 0.000 0.475 366 L N -1.252 119.944 121.223 -0.044 0.000 2.728 366 L HA 0.407 4.747 4.340 -0.000 0.000 0.238 366 L C 1.143 177.958 176.870 -0.092 0.000 1.143 366 L CA 0.873 55.624 54.840 -0.149 0.000 0.937 366 L CB 0.757 42.595 42.059 -0.369 0.000 1.225 366 L HN 0.393 nan 8.230 nan 0.000 0.507 367 G N -1.626 107.141 108.800 -0.055 0.000 2.184 367 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.206 367 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.206 367 G C 0.711 175.599 174.900 -0.019 0.000 0.995 367 G CA -0.254 44.825 45.100 -0.035 0.000 0.651 367 G HN 0.623 nan 8.290 nan 0.000 0.511 368 G N -0.218 108.575 108.800 -0.011 0.000 2.476 368 G HA2 0.580 4.540 3.960 -0.000 0.000 0.269 368 G HA3 0.580 4.540 3.960 -0.000 0.000 0.269 368 G C -0.371 174.547 174.900 0.031 0.000 1.195 368 G CA 0.115 45.232 45.100 0.028 0.000 0.843 368 G HN 0.483 nan 8.290 nan 0.000 0.545 369 K N 0.579 121.001 120.400 0.038 0.000 2.616 369 K HA 0.301 4.621 4.320 -0.000 0.000 0.255 369 K C -0.926 175.694 176.600 0.034 0.000 0.995 369 K CA -0.545 55.758 56.287 0.027 0.000 0.860 369 K CB 1.571 34.071 32.500 0.001 0.000 1.264 369 K HN 0.837 nan 8.250 nan 0.000 0.451 370 E N 1.101 121.325 120.200 0.040 0.000 2.433 370 E HA 0.433 4.783 4.350 -0.000 0.000 0.278 370 E C -1.224 175.388 176.600 0.020 0.000 0.976 370 E CA -1.017 55.402 56.400 0.031 0.000 0.793 370 E CB 2.061 31.785 29.700 0.040 0.000 1.311 370 E HN 0.174 nan 8.360 nan 0.000 0.460 371 T N 1.770 116.333 114.554 0.014 0.000 2.771 371 T HA 0.530 4.880 4.350 -0.000 0.000 0.281 371 T C -0.574 174.128 174.700 0.003 0.000 0.982 371 T CA -0.475 61.630 62.100 0.008 0.000 0.978 371 T CB 0.306 69.180 68.868 0.009 0.000 0.930 371 T HN 0.278 nan 8.240 nan 0.000 0.447 372 L N 5.067 126.288 121.223 -0.004 0.000 2.393 372 L HA 0.570 4.910 4.340 -0.000 0.000 0.260 372 L C -2.361 174.501 176.870 -0.013 0.000 1.002 372 L CA -2.773 52.060 54.840 -0.012 0.000 0.818 372 L CB 2.791 44.836 42.059 -0.024 0.000 1.369 372 L HN 0.356 nan 8.230 nan 0.000 0.412 373 P HA 0.137 nan 4.420 nan 0.000 0.276 373 P C 0.763 178.051 177.300 -0.020 0.000 1.235 373 P CA -0.293 62.799 63.100 -0.013 0.000 0.772 373 P CB 1.259 32.952 31.700 -0.012 0.000 0.871 374 L N 2.940 124.152 121.223 -0.018 0.000 2.197 374 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 374 L C 2.513 179.366 176.870 -0.027 0.000 1.095 374 L CA 2.241 57.068 54.840 -0.023 0.000 0.764 374 L CB -0.804 41.246 42.059 -0.016 0.000 0.897 374 L HN 0.419 nan 8.230 nan 0.000 0.436 375 A N -0.720 122.086 122.820 -0.023 0.000 1.929 375 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 375 A C 2.485 180.051 177.584 -0.030 0.000 1.176 375 A CA 1.308 53.331 52.037 -0.024 0.000 0.628 375 A CB -0.555 18.434 19.000 -0.018 0.000 0.816 375 A HN 0.379 nan 8.150 nan 0.000 0.444 376 A N -0.628 122.174 122.820 -0.031 0.000 1.968 376 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 376 A C 1.962 179.514 177.584 -0.052 0.000 1.169 376 A CA 1.365 53.380 52.037 -0.036 0.000 0.638 376 A CB -0.502 18.479 19.000 -0.031 0.000 0.812 376 A HN 0.388 nan 8.150 nan 0.000 0.446 377 L N 0.283 121.470 121.223 -0.059 0.000 1.976 377 L HA -0.162 4.178 4.340 -0.000 0.000 0.223 377 L C -0.447 176.365 176.870 -0.097 0.000 1.081 377 L CA 2.811 57.601 54.840 -0.084 0.000 0.784 377 L CB -1.462 40.549 42.059 -0.079 0.000 0.896 377 L HN 0.176 nan 8.230 nan 0.000 0.438 378 P HA -0.224 nan 4.420 nan 0.000 0.216 378 P C 1.508 178.762 177.300 -0.076 0.000 1.154 378 P CA 1.673 64.728 63.100 -0.076 0.000 0.865 378 P CB -0.087 31.579 31.700 -0.056 0.000 0.789 379 E N -0.007 120.154 120.200 -0.064 0.000 2.112 379 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 379 E C 1.816 178.374 176.600 -0.068 0.000 0.979 379 E CA 1.427 57.793 56.400 -0.058 0.000 0.814 379 E CB -0.651 29.023 29.700 -0.043 0.000 0.762 379 E HN 0.095 nan 8.360 nan 0.000 0.460 380 A N 1.788 124.560 122.820 -0.081 0.000 1.929 380 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 380 A C 2.488 179.988 177.584 -0.141 0.000 1.176 380 A CA 0.743 52.725 52.037 -0.093 0.000 0.628 380 A CB -0.629 18.318 19.000 -0.089 0.000 0.816 380 A HN 0.297 nan 8.150 nan 0.000 0.444 381 L N -0.387 120.723 121.223 -0.188 0.000 1.978 381 L HA -0.193 4.147 4.340 -0.000 0.000 0.218 381 L C -0.276 176.464 176.870 -0.218 0.000 1.075 381 L CA 2.293 56.962 54.840 -0.285 0.000 0.767 381 L CB -1.530 40.362 42.059 -0.279 0.000 0.890 381 L HN 0.221 nan 8.230 nan 0.000 0.434 382 P HA -0.207 nan 4.420 nan 0.000 0.217 382 P C 1.431 178.693 177.300 -0.063 0.000 1.158 382 P CA 2.042 65.088 63.100 -0.090 0.000 0.887 382 P CB -0.255 31.404 31.700 -0.068 0.000 0.792 383 G N -0.485 108.281 108.800 -0.058 0.000 2.422 383 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 383 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 383 G C 1.458 176.363 174.900 0.009 0.000 1.146 383 G CA 0.827 45.913 45.100 -0.023 0.000 0.769 383 G HN 0.291 nan 8.290 nan 0.000 0.547 384 K N -0.363 120.018 120.400 -0.032 0.000 2.103 384 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 384 K C 2.333 179.060 176.600 0.212 0.000 1.052 384 K CA 0.300 56.617 56.287 0.049 0.000 0.945 384 K CB -0.183 32.220 32.500 -0.162 0.000 0.722 384 K HN 0.108 nan 8.250 nan 0.000 0.443 385 L N 1.778 123.046 121.223 0.075 0.000 2.127 385 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 385 L C 1.567 178.581 176.870 0.241 0.000 1.089 385 L CA 1.824 56.778 54.840 0.189 0.000 0.757 385 L CB -0.984 41.093 42.059 0.029 0.000 0.899 385 L HN 0.208 nan 8.230 nan 0.000 0.434 386 D N -0.390 120.100 120.400 0.150 0.000 2.103 386 D HA -0.068 4.572 4.640 -0.000 0.000 0.199 386 D C 2.240 178.661 176.300 0.203 0.000 0.978 386 D CA 1.410 55.492 54.000 0.137 0.000 0.829 386 D CB 0.071 40.902 40.800 0.051 0.000 0.981 386 D HN 0.229 nan 8.370 nan 0.000 0.464 387 A N 0.266 123.201 122.820 0.191 0.000 1.978 387 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 387 A C 2.113 179.822 177.584 0.208 0.000 1.170 387 A CA 0.976 53.117 52.037 0.173 0.000 0.636 387 A CB -1.004 18.090 19.000 0.156 0.000 0.810 387 A HN 0.241 nan 8.150 nan 0.000 0.448 388 F N -0.123 119.912 119.950 0.141 0.000 2.069 388 F HA -0.224 4.303 4.527 0.000 0.000 0.298 388 F C 2.277 178.106 175.800 0.049 0.000 1.113 388 F CA 2.489 60.541 58.000 0.087 0.000 1.214 388 F CB -0.518 38.566 39.000 0.140 0.000 0.978 388 F HN 0.495 nan 8.300 nan 0.000 0.474 389 H N 0.080 119.320 119.070 0.284 0.000 2.289 389 H HA -0.173 4.383 4.556 0.000 0.000 0.296 389 H C 2.216 177.584 175.328 0.067 0.000 1.091 389 H CA 2.331 58.463 56.048 0.141 0.000 1.274 389 H CB -0.233 29.582 29.762 0.089 0.000 1.364 389 H HN 0.173 nan 8.280 nan 0.000 0.490 390 E N 0.166 120.462 120.200 0.160 0.000 2.085 390 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 390 E C 2.264 178.884 176.600 0.033 0.000 0.994 390 E CA 1.401 57.871 56.400 0.116 0.000 0.801 390 E CB -0.259 29.515 29.700 0.123 0.000 0.743 390 E HN 0.595 nan 8.360 nan 0.000 0.453 391 E N 0.967 121.137 120.200 -0.050 0.000 2.028 391 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 391 E C 2.251 178.740 176.600 -0.184 0.000 0.988 391 E CA 0.677 57.001 56.400 -0.126 0.000 0.799 391 E CB -0.478 29.098 29.700 -0.207 0.000 0.755 391 E HN 0.168 nan 8.360 nan 0.000 0.447 392 L N -0.235 120.801 121.223 -0.312 0.000 1.978 392 L HA -0.265 4.075 4.340 -0.000 0.000 0.218 392 L C 2.461 179.257 176.870 -0.122 0.000 1.075 392 L CA 2.082 56.723 54.840 -0.331 0.000 0.767 392 L CB -0.605 41.141 42.059 -0.522 0.000 0.890 392 L HN 0.335 nan 8.230 nan 0.000 0.434 393 Y N 0.432 120.592 120.300 -0.234 0.000 2.181 393 Y HA -0.293 4.257 4.550 0.000 0.000 0.288 393 Y C 2.823 178.706 175.900 -0.028 0.000 1.146 393 Y CA 1.778 59.819 58.100 -0.100 0.000 1.164 393 Y CB -0.312 38.063 38.460 -0.142 0.000 0.982 393 Y HN 0.049 nan 8.280 nan 0.000 0.515 394 R N 0.189 120.666 120.500 -0.038 0.000 2.091 394 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 394 R C 2.352 178.590 176.300 -0.102 0.000 1.136 394 R CA 1.863 57.917 56.100 -0.076 0.000 0.959 394 R CB -0.142 30.148 30.300 -0.015 0.000 0.856 394 R HN 0.360 nan 8.270 nan 0.000 0.437 395 R N -0.350 120.103 120.500 -0.078 0.000 2.075 395 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 395 R C 2.337 178.629 176.300 -0.014 0.000 1.126 395 R CA 1.300 57.378 56.100 -0.038 0.000 0.963 395 R CB -0.345 29.930 30.300 -0.040 0.000 0.858 395 R HN 0.227 nan 8.270 nan 0.000 0.435 396 A N 1.290 124.078 122.820 -0.054 0.000 1.972 396 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 396 A C 2.150 179.688 177.584 -0.076 0.000 1.169 396 A CA 0.972 52.970 52.037 -0.064 0.000 0.635 396 A CB -0.435 18.520 19.000 -0.075 0.000 0.810 396 A HN 0.198 nan 8.150 nan 0.000 0.446 397 L N -0.935 120.163 121.223 -0.208 0.000 2.005 397 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 397 L C 3.125 179.968 176.870 -0.044 0.000 1.072 397 L CA 1.257 55.985 54.840 -0.187 0.000 0.744 397 L CB -0.545 41.349 42.059 -0.275 0.000 0.895 397 L HN 0.454 nan 8.230 nan 0.000 0.433 398 A N -0.437 122.367 122.820 -0.027 0.000 1.908 398 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 398 A C 2.129 179.740 177.584 0.045 0.000 1.181 398 A CA 1.783 53.821 52.037 0.001 0.000 0.627 398 A CB -0.953 18.048 19.000 0.001 0.000 0.818 398 A HN 0.447 nan 8.150 nan 0.000 0.445 399 F N 0.239 120.164 119.950 -0.041 0.000 2.069 399 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 399 F C 2.447 178.283 175.800 0.059 0.000 1.113 399 F CA 2.229 60.237 58.000 0.014 0.000 1.214 399 F CB -0.243 38.713 39.000 -0.073 0.000 0.978 399 F HN 0.182 nan 8.300 nan 0.000 0.474 400 R N 0.353 120.981 120.500 0.213 0.000 2.080 400 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 400 R C 2.421 178.747 176.300 0.045 0.000 1.137 400 R CA 1.839 58.007 56.100 0.114 0.000 0.943 400 R CB -0.661 29.710 30.300 0.118 0.000 0.846 400 R HN 0.291 nan 8.270 nan 0.000 0.431 401 E N 0.743 120.955 120.200 0.020 0.000 2.160 401 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 401 E C 1.078 177.632 176.600 -0.076 0.000 0.991 401 E CA 1.755 58.150 56.400 -0.009 0.000 0.810 401 E CB -0.169 29.521 29.700 -0.017 0.000 0.742 401 E HN 0.353 nan 8.360 nan 0.000 0.466 402 D N -1.352 118.959 120.400 -0.148 0.000 2.317 402 D HA -0.080 4.560 4.640 -0.000 0.000 0.211 402 D C 0.792 176.777 176.300 -0.524 0.000 0.966 402 D CA 0.677 54.487 54.000 -0.317 0.000 0.876 402 D CB 0.148 40.720 40.800 -0.380 0.000 0.927 402 D HN 0.202 nan 8.370 nan 0.000 0.519 403 H N -0.890 117.987 119.070 -0.321 0.000 2.475 403 H HA 0.272 4.828 4.556 -0.000 0.000 0.276 403 H C -0.353 174.871 175.328 -0.174 0.000 1.126 403 H CA 0.001 55.858 56.048 -0.319 0.000 1.023 403 H CB 0.575 30.046 29.762 -0.486 0.000 1.669 403 H HN -0.033 nan 8.280 nan 0.000 0.573 404 T N 1.225 115.775 114.554 -0.006 0.000 2.856 404 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 404 T C -0.094 174.619 174.700 0.021 0.000 1.008 404 T CA -0.697 61.465 62.100 0.103 0.000 0.997 404 T CB 2.523 71.493 68.868 0.170 0.000 0.992 404 T HN 0.273 nan 8.240 nan 0.000 0.454 405 R N 1.686 122.205 120.500 0.031 0.000 2.515 405 R HA 0.289 4.629 4.340 -0.000 0.000 0.278 405 R C -1.205 175.097 176.300 0.003 0.000 1.107 405 R CA -0.717 55.379 56.100 -0.007 0.000 0.945 405 R CB 1.220 31.496 30.300 -0.040 0.000 1.219 405 R HN 0.507 nan 8.270 nan 0.000 0.434 406 K N 3.240 123.638 120.400 -0.003 0.000 2.339 406 K HA 0.219 4.539 4.320 -0.000 0.000 0.286 406 K C -0.075 176.535 176.600 0.017 0.000 1.050 406 K CA -0.305 55.978 56.287 -0.006 0.000 0.956 406 K CB 1.236 33.727 32.500 -0.014 0.000 0.990 406 K HN 0.400 nan 8.250 nan 0.000 0.475 407 V N -0.519 119.420 119.914 0.042 0.000 2.769 407 V HA 0.394 4.514 4.120 -0.000 0.000 0.312 407 V C -0.191 175.976 176.094 0.122 0.000 1.061 407 V CA -0.632 61.720 62.300 0.088 0.000 0.931 407 V CB 2.048 33.953 31.823 0.136 0.000 1.010 407 V HN 0.717 nan 8.190 nan 0.000 0.433 408 D N 0.732 121.216 120.400 0.139 0.000 2.489 408 D HA 0.150 4.790 4.640 -0.000 0.000 0.231 408 D C 0.583 176.986 176.300 0.171 0.000 1.114 408 D CA 0.622 54.731 54.000 0.182 0.000 0.842 408 D CB 1.592 42.492 40.800 0.166 0.000 1.133 408 D HN 0.699 nan 8.370 nan 0.000 0.506 409 T N -0.908 113.736 114.554 0.149 0.000 2.912 409 T HA 0.142 4.492 4.350 -0.000 0.000 0.288 409 T C 0.424 175.245 174.700 0.203 0.000 1.030 409 T CA -0.525 61.662 62.100 0.145 0.000 1.020 409 T CB 1.482 70.411 68.868 0.101 0.000 1.056 409 T HN -0.149 nan 8.240 nan 0.000 0.480 410 Y N 2.230 122.544 120.300 0.023 0.000 2.352 410 Y HA 0.044 4.594 4.550 -0.000 0.000 0.292 410 Y C 2.206 178.158 175.900 0.087 0.000 1.136 410 Y CA 2.019 60.117 58.100 -0.004 0.000 1.227 410 Y CB 0.009 38.421 38.460 -0.080 0.000 0.991 410 Y HN 0.883 nan 8.280 nan 0.000 0.545 411 E N -0.373 119.858 120.200 0.052 0.000 2.046 411 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 411 E C 2.324 178.915 176.600 -0.015 0.000 0.982 411 E CA 1.032 57.413 56.400 -0.032 0.000 0.800 411 E CB -0.255 29.448 29.700 0.005 0.000 0.756 411 E HN 0.402 nan 8.360 nan 0.000 0.449 412 A N 0.751 123.594 122.820 0.038 0.000 1.940 412 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 412 A C 2.016 179.620 177.584 0.033 0.000 1.176 412 A CA 1.435 53.490 52.037 0.030 0.000 0.631 412 A CB -0.962 18.069 19.000 0.052 0.000 0.814 412 A HN 0.558 nan 8.150 nan 0.000 0.446 413 F N 0.901 120.797 119.950 -0.089 0.000 2.102 413 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 413 F C 2.090 177.785 175.800 -0.175 0.000 1.105 413 F CA 2.140 60.073 58.000 -0.112 0.000 1.239 413 F CB -0.191 38.764 39.000 -0.073 0.000 0.991 413 F HN 0.125 nan 8.300 nan 0.000 0.474 414 K N 0.137 120.540 120.400 0.005 0.000 2.209 414 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 414 K C 1.919 178.431 176.600 -0.146 0.000 1.048 414 K CA 1.780 58.003 56.287 -0.107 0.000 0.940 414 K CB -0.279 32.120 32.500 -0.168 0.000 0.729 414 K HN 0.482 nan 8.250 nan 0.000 0.451 415 E N 0.697 120.823 120.200 -0.123 0.000 2.028 415 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 415 E C 2.110 178.625 176.600 -0.141 0.000 0.984 415 E CA 0.887 57.221 56.400 -0.111 0.000 0.800 415 E CB -0.097 29.556 29.700 -0.079 0.000 0.758 415 E HN 0.284 nan 8.360 nan 0.000 0.448 416 A N 1.430 124.148 122.820 -0.170 0.000 2.019 416 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 416 A C 2.301 179.756 177.584 -0.216 0.000 1.164 416 A CA 1.399 53.330 52.037 -0.178 0.000 0.644 416 A CB -0.632 18.270 19.000 -0.164 0.000 0.805 416 A HN 0.232 nan 8.150 nan 0.000 0.449 417 V N -3.308 116.410 119.914 -0.326 0.000 3.563 417 V HA 0.108 4.228 4.120 -0.000 0.000 0.299 417 V C 1.065 177.053 176.094 -0.177 0.000 1.290 417 V CA 0.699 62.830 62.300 -0.282 0.000 1.201 417 V CB -0.362 31.207 31.823 -0.423 0.000 1.045 417 V HN 0.470 nan 8.190 nan 0.000 0.425 418 Q N -0.236 119.475 119.800 -0.150 0.000 2.391 418 Q HA 0.233 4.573 4.340 -0.000 0.000 0.243 418 Q C 1.601 177.541 176.000 -0.101 0.000 0.874 418 Q CA 0.503 56.237 55.803 -0.115 0.000 0.950 418 Q CB 0.588 29.267 28.738 -0.098 0.000 1.103 418 Q HN 0.686 nan 8.270 nan 0.000 0.544 419 E N -0.078 120.067 120.200 -0.091 0.000 2.251 419 E HA 0.210 4.560 4.350 -0.000 0.000 0.194 419 E C 0.975 177.568 176.600 -0.011 0.000 0.964 419 E CA 0.949 57.335 56.400 -0.023 0.000 0.868 419 E CB 1.228 30.894 29.700 -0.055 0.000 0.828 419 E HN 0.289 nan 8.360 nan 0.000 0.481 420 G N 0.306 109.047 108.800 -0.098 0.000 2.563 420 G HA2 0.116 4.076 3.960 -0.000 0.000 0.068 420 G HA3 0.116 4.076 3.960 -0.000 0.000 0.068 420 G C -1.133 173.706 174.900 -0.101 0.000 1.001 420 G CA -0.874 44.113 45.100 -0.189 0.000 1.188 420 G HN 0.066 nan 8.290 nan 0.000 0.512 421 F N 2.128 122.056 119.950 -0.036 0.000 2.399 421 F HA 0.556 5.083 4.527 -0.000 0.000 0.342 421 F C 0.814 176.574 175.800 -0.065 0.000 1.106 421 F CA -0.031 57.947 58.000 -0.037 0.000 1.196 421 F CB 1.722 40.714 39.000 -0.014 0.000 1.163 421 F HN 0.527 nan 8.300 nan 0.000 0.547 422 A N 4.534 127.454 122.820 0.166 0.000 2.340 422 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 422 A C -1.259 176.404 177.584 0.132 0.000 1.195 422 A CA -0.642 51.413 52.037 0.030 0.000 0.769 422 A CB 0.602 19.451 19.000 -0.253 0.000 1.163 422 A HN 0.550 nan 8.150 nan 0.000 0.472 423 L N 2.698 123.966 121.223 0.076 0.000 2.356 423 L HA 0.563 4.903 4.340 -0.000 0.000 0.282 423 L C 0.700 177.585 176.870 0.024 0.000 1.132 423 L CA 0.275 55.139 54.840 0.041 0.000 0.923 423 L CB -0.197 41.840 42.059 -0.036 0.000 1.278 423 L HN 0.773 nan 8.230 nan 0.000 0.436 424 A N 2.493 125.406 122.820 0.156 0.000 2.346 424 A HA 0.835 5.155 4.320 -0.000 0.000 0.313 424 A C -0.767 176.881 177.584 0.106 0.000 1.140 424 A CA -0.486 51.621 52.037 0.116 0.000 0.826 424 A CB 0.762 19.884 19.000 0.204 0.000 1.332 424 A HN 0.267 nan 8.150 nan 0.000 0.457 425 F N 0.609 120.698 119.950 0.233 0.000 2.379 425 F HA 0.482 5.009 4.527 -0.000 0.000 0.332 425 F C 0.765 176.746 175.800 0.303 0.000 1.096 425 F CA 0.421 58.558 58.000 0.228 0.000 1.105 425 F CB 1.147 40.217 39.000 0.118 0.000 1.189 425 F HN 0.593 nan 8.300 nan 0.000 0.515 426 H N 0.948 120.289 119.070 0.451 0.000 2.961 426 H HA 0.202 4.758 4.556 -0.000 0.000 0.371 426 H C 0.370 175.817 175.328 0.198 0.000 1.190 426 H CA -0.748 55.504 56.048 0.341 0.000 1.138 426 H CB 2.226 32.290 29.762 0.503 0.000 1.816 426 H HN 0.842 nan 8.280 nan 0.000 0.551 427 C N 1.003 120.039 119.300 -0.439 0.000 2.456 427 C HA 0.272 4.732 4.460 -0.000 0.000 0.279 427 C C 1.685 176.591 174.990 -0.140 0.000 1.427 427 C CA 0.583 59.441 59.018 -0.268 0.000 1.778 427 C CB -1.211 26.344 27.740 -0.309 0.000 1.842 427 C HN 1.017 nan 8.230 nan 0.000 0.531 428 G N 0.814 109.693 108.800 0.132 0.000 2.141 428 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 428 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 428 G C -0.400 174.603 174.900 0.171 0.000 0.982 428 G CA 0.463 45.634 45.100 0.117 0.000 0.662 428 G HN 0.723 nan 8.290 nan 0.000 0.527 429 D N 0.256 120.770 120.400 0.191 0.000 2.232 429 D HA 0.455 5.095 4.640 -0.000 0.000 0.242 429 D C 1.501 177.935 176.300 0.224 0.000 1.093 429 D CA -0.613 53.474 54.000 0.145 0.000 0.845 429 D CB 0.773 41.603 40.800 0.049 0.000 1.124 429 D HN 0.206 nan 8.370 nan 0.000 0.467 430 K N 2.467 122.959 120.400 0.153 0.000 2.074 430 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 430 K C 1.809 178.483 176.600 0.123 0.000 1.048 430 K CA 1.488 57.855 56.287 0.133 0.000 0.926 430 K CB -0.071 32.485 32.500 0.092 0.000 0.713 430 K HN 0.507 nan 8.250 nan 0.000 0.444 431 A N 1.061 123.939 122.820 0.097 0.000 1.908 431 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 431 A C 2.426 180.065 177.584 0.092 0.000 1.181 431 A CA 1.786 53.868 52.037 0.075 0.000 0.627 431 A CB -1.180 17.849 19.000 0.048 0.000 0.818 431 A HN 0.546 nan 8.150 nan 0.000 0.445 432 C N -0.744 118.630 119.300 0.124 0.000 2.446 432 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 432 C C 2.572 177.715 174.990 0.254 0.000 1.275 432 C CA 1.357 60.462 59.018 0.144 0.000 1.727 432 C CB -1.234 26.558 27.740 0.086 0.000 2.010 432 C HN 0.713 nan 8.230 nan 0.000 0.486 433 E N -0.046 120.338 120.200 0.306 0.000 2.058 433 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 433 E C 2.443 179.134 176.600 0.152 0.000 0.997 433 E CA 1.170 57.685 56.400 0.191 0.000 0.801 433 E CB -0.114 29.640 29.700 0.090 0.000 0.746 433 E HN 0.615 nan 8.360 nan 0.000 0.450 434 R N 0.138 120.711 120.500 0.121 0.000 2.096 434 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 434 R C 2.462 178.820 176.300 0.097 0.000 1.127 434 R CA 0.741 56.899 56.100 0.096 0.000 0.968 434 R CB -0.369 29.975 30.300 0.074 0.000 0.861 434 R HN 0.160 nan 8.270 nan 0.000 0.440 435 L N 1.280 122.559 121.223 0.093 0.000 1.976 435 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 435 L C 2.162 179.091 176.870 0.099 0.000 1.071 435 L CA 1.624 56.508 54.840 0.073 0.000 0.746 435 L CB -0.382 41.699 42.059 0.036 0.000 0.890 435 L HN 0.085 nan 8.230 nan 0.000 0.432 436 I N -0.831 119.807 120.570 0.112 0.000 2.194 436 I HA -0.383 3.787 4.170 -0.000 0.000 0.246 436 I C 2.583 178.833 176.117 0.221 0.000 1.093 436 I CA 1.730 63.125 61.300 0.157 0.000 1.355 436 I CB -0.362 37.719 38.000 0.136 0.000 1.046 436 I HN 0.516 nan 8.210 nan 0.000 0.413 437 Q N 0.824 120.740 119.800 0.194 0.000 2.119 437 Q HA -0.220 4.120 4.340 -0.000 0.000 0.201 437 Q C 1.987 178.067 176.000 0.133 0.000 0.972 437 Q CA 1.437 57.345 55.803 0.174 0.000 0.847 437 Q CB 0.110 28.932 28.738 0.140 0.000 0.903 437 Q HN 0.539 nan 8.270 nan 0.000 0.433 438 E N 0.028 120.295 120.200 0.113 0.000 2.150 438 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 438 E C 1.742 178.399 176.600 0.095 0.000 0.985 438 E CA 1.152 57.605 56.400 0.089 0.000 0.814 438 E CB 0.141 29.885 29.700 0.073 0.000 0.752 438 E HN 0.447 nan 8.360 nan 0.000 0.466 439 E N -0.245 120.030 120.200 0.125 0.000 2.086 439 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 439 E C 1.973 178.651 176.600 0.130 0.000 0.975 439 E CA 1.571 58.052 56.400 0.135 0.000 0.813 439 E CB 0.192 30.011 29.700 0.199 0.000 0.768 439 E HN 0.242 nan 8.360 nan 0.000 0.457 440 T N -2.769 111.889 114.554 0.173 0.000 3.010 440 T HA 0.021 4.371 4.350 -0.000 0.000 0.257 440 T C 1.306 176.079 174.700 0.120 0.000 1.020 440 T CA 0.735 62.927 62.100 0.154 0.000 0.938 440 T CB 0.387 69.420 68.868 0.275 0.000 1.049 440 T HN 0.249 nan 8.240 nan 0.000 0.522 441 T N -0.709 113.920 114.554 0.126 0.000 8.466 441 T HA -0.245 4.105 4.350 -0.000 0.000 0.319 441 T C 0.545 175.311 174.700 0.110 0.000 2.022 441 T CA 1.049 63.205 62.100 0.093 0.000 3.147 441 T CB -2.402 66.493 68.868 0.045 0.000 2.153 441 T HN 1.583 nan 8.240 nan 0.000 1.109 442 A N 1.523 124.442 122.820 0.166 0.000 2.351 442 A HA 0.684 5.004 4.320 -0.000 0.000 0.257 442 A C 0.879 178.636 177.584 0.289 0.000 1.087 442 A CA 0.441 52.599 52.037 0.201 0.000 0.798 442 A CB 0.622 19.754 19.000 0.221 0.000 1.033 442 A HN 1.665 nan 8.150 nan 0.000 0.488 443 T N -1.769 112.928 114.554 0.239 0.000 2.773 443 T HA 0.622 4.972 4.350 -0.000 0.000 0.278 443 T C 0.003 174.710 174.700 0.013 0.000 1.011 443 T CA -0.497 61.704 62.100 0.169 0.000 1.014 443 T CB 1.060 69.970 68.868 0.070 0.000 1.293 443 T HN 0.468 nan 8.240 nan 0.000 0.554 444 T N 1.225 115.645 114.554 -0.224 0.000 2.794 444 T HA 0.346 4.696 4.350 -0.000 0.000 0.296 444 T C 0.896 175.416 174.700 -0.300 0.000 0.949 444 T CA -0.656 61.107 62.100 -0.561 0.000 1.101 444 T CB 0.656 69.208 68.868 -0.527 0.000 0.905 444 T HN 0.456 nan 8.240 nan 0.000 0.516 445 R N 1.760 122.070 120.500 -0.317 0.000 2.074 445 R HA 0.287 4.627 4.340 -0.000 0.000 0.218 445 R C 0.872 177.042 176.300 -0.216 0.000 1.137 445 R CA 0.471 56.462 56.100 -0.183 0.000 0.998 445 R CB -0.872 29.333 30.300 -0.158 0.000 0.895 445 R HN 0.823 nan 8.270 nan 0.000 0.442 446 C N -3.502 115.610 119.300 -0.314 0.000 3.197 446 C HA 0.463 4.923 4.460 -0.000 0.000 0.343 446 C C -0.788 173.972 174.990 -0.383 0.000 1.291 446 C CA -1.223 57.603 59.018 -0.320 0.000 1.191 446 C CB 0.911 28.478 27.740 -0.289 0.000 1.444 446 C HN -0.021 nan 8.230 nan 0.000 0.468 447 V N 3.352 123.022 119.914 -0.406 0.000 2.270 447 V HA 0.388 4.508 4.120 -0.000 0.000 0.263 447 V C -1.690 174.190 176.094 -0.357 0.000 1.066 447 V CA -0.851 61.213 62.300 -0.393 0.000 0.857 447 V CB 0.678 32.216 31.823 -0.476 0.000 1.099 447 V HN 0.861 nan 8.190 nan 0.000 0.476 448 P HA -0.023 nan 4.420 nan 0.000 0.263 448 P C 0.717 177.930 177.300 -0.146 0.000 1.175 448 P CA 0.468 63.398 63.100 -0.284 0.000 0.761 448 P CB 0.732 32.324 31.700 -0.180 0.000 0.794 449 F N 1.018 120.944 119.950 -0.040 0.000 2.163 449 F HA -0.125 4.402 4.527 0.000 0.000 0.297 449 F C 2.282 178.072 175.800 -0.016 0.000 1.094 449 F CA 0.931 58.914 58.000 -0.028 0.000 1.290 449 F CB -0.237 38.751 39.000 -0.020 0.000 1.017 449 F HN 0.278 nan 8.300 nan 0.000 0.483 450 E N 0.758 121.064 120.200 0.177 0.000 2.478 450 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 450 E C 0.700 177.336 176.600 0.060 0.000 1.045 450 E CA -0.001 56.460 56.400 0.103 0.000 0.868 450 E CB -0.291 29.463 29.700 0.090 0.000 0.885 450 E HN 0.192 nan 8.360 nan 0.000 0.505 451 A N 1.284 124.126 122.820 0.037 0.000 2.583 451 A HA -0.124 4.196 4.320 -0.000 0.000 0.231 451 A C 0.503 178.108 177.584 0.036 0.000 1.065 451 A CA 0.161 52.207 52.037 0.016 0.000 0.760 451 A CB -0.010 18.984 19.000 -0.011 0.000 1.001 451 A HN 0.206 nan 8.150 nan 0.000 0.509 452 E N 1.655 121.873 120.200 0.031 0.000 2.360 452 E HA 0.239 4.589 4.350 -0.000 0.000 0.269 452 E C -2.328 174.311 176.600 0.064 0.000 1.022 452 E CA -1.715 54.711 56.400 0.044 0.000 0.887 452 E CB 0.363 30.087 29.700 0.040 0.000 0.990 452 E HN 0.342 nan 8.360 nan 0.000 0.426 453 P HA 0.037 nan 4.420 nan 0.000 0.265 453 P C -1.357 176.013 177.300 0.117 0.000 1.222 453 P CA 0.654 63.806 63.100 0.087 0.000 0.767 453 P CB 0.427 32.165 31.700 0.064 0.000 0.801 454 E N 1.969 122.279 120.200 0.183 0.000 2.331 454 E HA 0.386 4.736 4.350 -0.000 0.000 0.275 454 E C -1.060 175.707 176.600 0.277 0.000 0.895 454 E CA -0.711 55.857 56.400 0.281 0.000 0.753 454 E CB 1.908 31.870 29.700 0.436 0.000 1.216 454 E HN 0.228 nan 8.360 nan 0.000 0.434 455 E N 0.328 120.540 120.200 0.020 0.000 2.222 455 E HA 0.718 5.068 4.350 -0.000 0.000 0.267 455 E C -0.614 175.508 176.600 -0.797 0.000 0.884 455 E CA -0.296 55.914 56.400 -0.317 0.000 0.764 455 E CB 1.954 31.519 29.700 -0.226 0.000 1.169 455 E HN 0.618 nan 8.360 nan 0.000 0.413 456 G N 1.423 109.402 108.800 -1.369 0.000 2.677 456 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 456 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 456 G C -1.565 172.516 174.900 -1.366 0.000 1.221 456 G CA -0.646 43.569 45.100 -1.476 0.000 0.851 456 G HN 0.276 nan 8.290 nan 0.000 0.504 457 F N -0.087 119.611 119.950 -0.420 0.000 2.551 457 F HA 0.510 5.037 4.527 0.000 0.000 0.316 457 F C 0.808 176.586 175.800 -0.036 0.000 1.089 457 F CA -0.767 57.127 58.000 -0.177 0.000 0.915 457 F CB 1.874 40.802 39.000 -0.120 0.000 1.186 457 F HN 0.539 nan 8.300 nan 0.000 0.456 458 C N 3.054 122.404 119.300 0.083 0.000 2.378 458 C HA -0.031 4.429 4.460 -0.000 0.000 0.395 458 C C 2.135 177.153 174.990 0.048 0.000 1.476 458 C CA 0.148 59.189 59.018 0.038 0.000 1.541 458 C CB -0.373 27.278 27.740 -0.148 0.000 2.524 458 C HN 0.871 nan 8.230 nan 0.000 0.595 459 V N 6.523 126.475 119.914 0.062 0.000 2.720 459 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 459 V C 2.313 178.282 176.094 -0.209 0.000 1.082 459 V CA 2.356 64.655 62.300 -0.001 0.000 1.101 459 V CB -0.801 31.001 31.823 -0.035 0.000 0.693 459 V HN 0.958 nan 8.190 nan 0.000 0.479 460 R N -0.798 119.494 120.500 -0.346 0.000 2.194 460 R HA 0.063 4.403 4.340 -0.000 0.000 0.194 460 R C 2.060 178.141 176.300 -0.366 0.000 0.985 460 R CA 1.354 57.086 56.100 -0.613 0.000 1.104 460 R CB -0.058 29.781 30.300 -0.768 0.000 1.092 460 R HN 0.695 nan 8.270 nan 0.000 0.555 461 C N -1.618 117.538 119.300 -0.240 0.000 2.906 461 C HA 0.493 4.953 4.460 -0.000 0.000 0.274 461 C C 1.510 176.443 174.990 -0.096 0.000 1.257 461 C CA 0.164 59.085 59.018 -0.161 0.000 1.695 461 C CB 0.123 27.775 27.740 -0.146 0.000 1.958 461 C HN 0.669 nan 8.230 nan 0.000 0.619 462 G N 1.396 110.160 108.800 -0.061 0.000 2.328 462 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 462 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 462 G C 0.398 175.369 174.900 0.119 0.000 1.014 462 G CA 0.391 45.500 45.100 0.015 0.000 0.620 462 G HN 0.750 nan 8.290 nan 0.000 0.530 463 R N 1.413 121.940 120.500 0.044 0.000 2.756 463 R HA 0.316 4.656 4.340 -0.000 0.000 0.264 463 R C -2.171 174.170 176.300 0.069 0.000 1.026 463 R CA -1.031 55.107 56.100 0.063 0.000 1.121 463 R CB -0.155 30.129 30.300 -0.027 0.000 0.999 463 R HN 0.167 nan 8.270 nan 0.000 0.449 464 P HA -0.111 nan 4.420 nan 0.000 0.263 464 P C -0.373 176.772 177.300 -0.259 0.000 1.175 464 P CA 0.459 63.410 63.100 -0.248 0.000 0.761 464 P CB 0.487 32.077 31.700 -0.184 0.000 0.794 465 S N 2.202 117.668 115.700 -0.391 0.000 2.572 465 S HA 0.537 5.007 4.470 -0.000 0.000 0.279 465 S C 0.169 174.679 174.600 -0.150 0.000 1.341 465 S CA -0.470 57.605 58.200 -0.209 0.000 1.043 465 S CB 0.526 63.556 63.200 -0.284 0.000 0.887 465 S HN 0.539 nan 8.310 nan 0.000 0.516 466 A N 1.528 124.287 122.820 -0.102 0.000 2.284 466 A HA 0.755 5.075 4.320 -0.000 0.000 0.317 466 A C 0.103 177.618 177.584 -0.115 0.000 1.120 466 A CA -0.740 51.121 52.037 -0.294 0.000 0.900 466 A CB -0.386 18.205 19.000 -0.681 0.000 1.319 466 A HN 1.466 nan 8.150 nan 0.000 0.494 467 Y N -1.662 118.681 120.300 0.072 0.000 4.138 467 Y HA -0.329 4.221 4.550 -0.000 0.000 0.347 467 Y C 1.685 177.628 175.900 0.072 0.000 1.116 467 Y CA 1.570 59.714 58.100 0.072 0.000 2.132 467 Y CB -1.649 36.864 38.460 0.088 0.000 0.967 467 Y HN 2.178 nan 8.280 nan 0.000 0.470 468 G N 1.085 110.001 108.800 0.193 0.000 2.153 468 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 468 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 468 G C -0.054 174.964 174.900 0.197 0.000 0.994 468 G CA 1.095 46.282 45.100 0.145 0.000 0.698 468 G HN 0.921 nan 8.290 nan 0.000 0.521 469 K N -2.115 118.452 120.400 0.278 0.000 2.658 469 K HA 0.605 4.925 4.320 -0.000 0.000 0.293 469 K C -0.435 176.290 176.600 0.208 0.000 1.026 469 K CA -1.334 55.088 56.287 0.225 0.000 0.871 469 K CB 0.969 33.541 32.500 0.121 0.000 1.524 469 K HN 0.126 nan 8.250 nan 0.000 0.400 470 R N 0.914 121.396 120.500 -0.030 0.000 2.490 470 R HA 0.330 4.670 4.340 -0.000 0.000 0.280 470 R C -0.213 176.066 176.300 -0.034 0.000 1.077 470 R CA -0.637 55.350 56.100 -0.188 0.000 1.065 470 R CB 1.095 31.159 30.300 -0.394 0.000 1.003 470 R HN 0.316 nan 8.270 nan 0.000 0.470 471 V N 2.974 122.929 119.914 0.069 0.000 2.863 471 V HA 0.185 4.305 4.120 -0.000 0.000 0.307 471 V C 0.064 176.154 176.094 -0.005 0.000 1.061 471 V CA -0.650 61.631 62.300 -0.032 0.000 1.024 471 V CB 1.919 33.725 31.823 -0.028 0.000 1.049 471 V HN 0.424 nan 8.190 nan 0.000 0.471 472 V N 4.075 123.863 119.914 -0.209 0.000 2.364 472 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 472 V C -0.465 175.501 176.094 -0.212 0.000 1.036 472 V CA -0.143 62.035 62.300 -0.203 0.000 0.880 472 V CB 0.657 32.223 31.823 -0.428 0.000 0.991 472 V HN 0.581 nan 8.190 nan 0.000 0.460 473 F N 2.605 122.540 119.950 -0.025 0.000 2.541 473 F HA 0.932 5.459 4.527 0.000 0.000 0.331 473 F C 0.402 176.242 175.800 0.067 0.000 1.057 473 F CA -0.283 57.748 58.000 0.053 0.000 0.975 473 F CB 2.112 41.221 39.000 0.182 0.000 1.246 473 F HN 0.639 nan 8.300 nan 0.000 0.484 474 A N 1.163 124.142 122.820 0.265 0.000 2.517 474 A HA 0.446 4.766 4.320 -0.000 0.000 0.296 474 A C -1.737 175.901 177.584 0.091 0.000 0.983 474 A CA -1.177 50.963 52.037 0.172 0.000 0.634 474 A CB 0.872 20.072 19.000 0.334 0.000 1.341 474 A HN 0.624 nan 8.150 nan 0.000 0.438 475 K N 0.617 121.016 120.400 -0.003 0.000 2.297 475 K HA 0.585 4.905 4.320 -0.000 0.000 0.286 475 K C 0.173 176.722 176.600 -0.086 0.000 1.053 475 K CA 0.401 56.659 56.287 -0.048 0.000 0.940 475 K CB 1.464 33.899 32.500 -0.109 0.000 1.019 475 K HN 0.965 nan 8.250 nan 0.000 0.475 476 A N 3.243 126.028 122.820 -0.059 0.000 2.346 476 A HA 0.542 4.862 4.320 -0.000 0.000 0.313 476 A C -1.159 176.363 177.584 -0.104 0.000 1.140 476 A CA -0.660 51.349 52.037 -0.047 0.000 0.826 476 A CB 0.417 19.451 19.000 0.057 0.000 1.332 476 A HN 0.592 nan 8.150 nan 0.000 0.457 477 Y N 0.000 120.305 120.300 0.009 0.000 2.660 477 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 477 Y CA 0.000 58.102 58.100 0.004 0.000 1.940 477 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 477 Y HN 0.000 nan 8.280 nan 0.000 0.758