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 1gtt_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKGTIFAVAL NHRSQLDAWQ EAFQQSPYKA PPKTAVWFIK PRNTVIGCGE DATA SEQUENCE PIPFPQGEKV LSGATVALIV GKTATKVREE DAAEYIAGYA LANDVSLPEE DATA SEQUENCE SFYRPAIKAK CRDGFCPIGE TVALSNVDNL TIYTEINGRP ADHWNTADLQ DATA SEQUENCE RNAAQLLSAL SEFATLNPGD AILLGTPQAR VEIQPGDRVR VLAEGFPPLE DATA SEQUENCE NPVVDEREVT TRKSFPTLPH PHGTLFALGL NYADHXXXXX XXXPEEPLVF DATA SEQUENCE LKAPNTLTGD NQTSVRPNNI EYMHYEAELV VVIGKQARNV SEADAMDYVA DATA SEQUENCE GYTVCNDYAI RDYLENYYRP NLRVKSRDGL TPMLSTIVPK EAIPDPHNLT DATA SEQUENCE LRTFVNGELR QQGTTADLIF SVPFLIAYLS EFMTLNPGDM IATGTPKGLS DATA SEQUENCE DVVPGDEVVV EVEGVGRLVN RIVSEETAK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.059 0.000 1.140 1 M CA 0.000 55.332 55.300 0.054 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 K N -0.742 119.697 120.400 0.064 0.000 3.553 2 K HA -0.109 4.212 4.320 0.001 0.000 0.303 2 K C 0.199 176.822 176.600 0.037 0.000 1.327 2 K CA 1.264 57.594 56.287 0.071 0.000 0.983 2 K CB -2.091 30.470 32.500 0.100 0.000 1.275 2 K HN 0.449 nan 8.250 nan 0.000 0.453 3 G N 0.362 109.173 108.800 0.019 0.000 2.557 3 G HA2 0.477 4.437 3.960 0.001 0.000 0.292 3 G HA3 0.477 4.437 3.960 0.001 0.000 0.292 3 G C -0.647 174.222 174.900 -0.053 0.000 1.237 3 G CA -0.063 45.038 45.100 0.001 0.000 0.978 3 G HN 0.165 nan 8.290 nan 0.000 0.498 4 T N 1.146 115.641 114.554 -0.099 0.000 2.884 4 T HA 0.294 4.644 4.350 0.001 0.000 0.298 4 T C 0.213 174.736 174.700 -0.295 0.000 0.998 4 T CA 0.058 61.994 62.100 -0.273 0.000 1.124 4 T CB 0.639 69.243 68.868 -0.440 0.000 0.931 4 T HN 0.129 nan 8.240 nan 0.000 0.531 5 I N 4.791 125.172 120.570 -0.316 0.000 2.306 5 I HA 0.332 4.503 4.170 0.001 0.000 0.288 5 I C -0.154 175.776 176.117 -0.312 0.000 1.036 5 I CA -0.633 60.555 61.300 -0.188 0.000 1.221 5 I CB -0.342 37.611 38.000 -0.077 0.000 1.385 5 I HN 0.504 nan 8.210 nan 0.000 0.472 6 F N 4.093 123.993 119.950 -0.083 0.000 2.380 6 F HA 0.758 5.285 4.527 0.001 0.000 0.321 6 F C 0.661 176.376 175.800 -0.141 0.000 1.103 6 F CA -0.451 57.483 58.000 -0.110 0.000 1.067 6 F CB 1.399 40.310 39.000 -0.148 0.000 1.265 6 F HN 0.510 nan 8.300 nan 0.000 0.517 7 A N 0.681 123.487 122.820 -0.024 0.000 2.589 7 A HA 0.617 4.937 4.320 0.001 0.000 0.296 7 A C -1.902 175.609 177.584 -0.121 0.000 1.062 7 A CA -0.692 51.153 52.037 -0.319 0.000 0.686 7 A CB 1.390 19.741 19.000 -1.082 0.000 1.282 7 A HN 0.613 nan 8.150 nan 0.000 0.404 8 V N 1.392 121.327 119.914 0.036 0.000 2.472 8 V HA 0.800 4.920 4.120 0.001 0.000 0.290 8 V C 0.428 176.668 176.094 0.244 0.000 1.037 8 V CA 0.327 62.638 62.300 0.019 0.000 0.908 8 V CB 1.310 32.993 31.823 -0.232 0.000 0.985 8 V HN 1.839 nan 8.190 nan 0.000 0.454 9 A N 5.227 128.207 122.820 0.266 0.000 2.299 9 A HA 0.808 5.128 4.320 0.001 0.000 0.332 9 A C 0.212 177.683 177.584 -0.188 0.000 1.131 9 A CA -0.640 51.509 52.037 0.186 0.000 0.844 9 A CB 0.909 20.072 19.000 0.271 0.000 1.251 9 A HN 1.470 nan 8.150 nan 0.000 0.486 10 L N -0.230 120.807 121.223 -0.309 0.000 3.717 10 L HA -0.211 4.130 4.340 0.001 0.000 0.411 10 L C 0.760 177.460 176.870 -0.283 0.000 1.233 10 L CA 0.686 55.255 54.840 -0.450 0.000 0.917 10 L CB -1.487 40.154 42.059 -0.697 0.000 1.902 10 L HN 0.905 nan 8.230 nan 0.000 0.894 11 N N -0.900 117.697 118.700 -0.172 0.000 2.205 11 N HA 0.026 4.766 4.740 0.001 0.000 0.201 11 N C 0.381 175.853 175.510 -0.063 0.000 1.128 11 N CA 0.103 53.078 53.050 -0.125 0.000 0.867 11 N CB 0.407 38.841 38.487 -0.089 0.000 0.996 11 N HN 0.470 nan 8.380 nan 0.000 0.503 12 H N 0.406 119.375 119.070 -0.168 0.000 2.467 12 H HA 0.295 4.851 4.556 0.001 0.000 0.326 12 H C 0.563 175.822 175.328 -0.115 0.000 1.094 12 H CA -0.243 55.712 56.048 -0.155 0.000 1.253 12 H CB 1.232 30.832 29.762 -0.270 0.000 1.439 12 H HN -0.003 nan 8.280 nan 0.000 0.479 13 R N 1.379 121.705 120.500 -0.291 0.000 2.148 13 R HA -0.124 4.216 4.340 0.001 0.000 0.227 13 R C 2.264 178.547 176.300 -0.028 0.000 1.103 13 R CA 1.476 57.489 56.100 -0.144 0.000 0.983 13 R CB 0.212 30.413 30.300 -0.166 0.000 0.874 13 R HN 0.614 nan 8.270 nan 0.000 0.451 14 S N -0.157 115.605 115.700 0.103 0.000 2.423 14 S HA -0.215 4.255 4.470 0.001 0.000 0.231 14 S C 1.984 176.641 174.600 0.095 0.000 1.014 14 S CA 1.011 59.292 58.200 0.135 0.000 0.965 14 S CB -0.005 63.326 63.200 0.219 0.000 0.785 14 S HN 0.350 nan 8.310 nan 0.000 0.495 15 Q N 0.645 120.508 119.800 0.105 0.000 2.096 15 Q HA 0.169 4.509 4.340 0.001 0.000 0.197 15 Q C 2.151 178.195 176.000 0.072 0.000 0.964 15 Q CA 0.979 56.838 55.803 0.093 0.000 0.838 15 Q CB -0.267 28.468 28.738 -0.005 0.000 0.906 15 Q HN 0.605 nan 8.270 nan 0.000 0.444 16 L N 0.759 121.980 121.223 -0.004 0.000 2.042 16 L HA -0.236 4.104 4.340 0.001 0.000 0.210 16 L C 1.908 178.758 176.870 -0.032 0.000 1.076 16 L CA 1.201 56.034 54.840 -0.012 0.000 0.749 16 L CB -0.399 41.641 42.059 -0.031 0.000 0.893 16 L HN 0.287 nan 8.230 nan 0.000 0.432 17 D N 0.118 120.504 120.400 -0.022 0.000 2.084 17 D HA -0.147 4.493 4.640 0.001 0.000 0.194 17 D C 2.221 178.477 176.300 -0.074 0.000 0.990 17 D CA 1.591 55.567 54.000 -0.040 0.000 0.826 17 D CB -0.102 40.684 40.800 -0.024 0.000 0.971 17 D HN 0.281 nan 8.370 nan 0.000 0.453 18 A N -0.566 122.221 122.820 -0.055 0.000 2.070 18 A HA -0.147 4.174 4.320 0.001 0.000 0.220 18 A C 1.607 178.999 177.584 -0.319 0.000 1.159 18 A CA 0.944 52.898 52.037 -0.138 0.000 0.656 18 A CB -0.790 18.161 19.000 -0.082 0.000 0.800 18 A HN 0.308 nan 8.150 nan 0.000 0.453 19 W N -0.990 120.052 121.300 -0.429 0.000 3.177 19 W HA 0.225 4.885 4.660 0.000 0.000 0.309 19 W C 2.098 178.065 176.519 -0.919 0.000 1.224 19 W CA 0.085 56.948 57.345 -0.804 0.000 1.718 19 W CB 0.084 28.725 29.460 -1.366 0.000 1.078 19 W HN 0.380 nan 8.180 nan 0.000 0.618 20 Q N 0.943 120.539 119.800 -0.341 0.000 2.118 20 Q HA -0.334 4.007 4.340 0.001 0.000 0.211 20 Q C 2.001 177.946 176.000 -0.091 0.000 0.998 20 Q CA 2.393 58.100 55.803 -0.160 0.000 0.872 20 Q CB -0.126 28.565 28.738 -0.078 0.000 0.925 20 Q HN 0.442 nan 8.270 nan 0.000 0.414 21 E N -0.815 119.313 120.200 -0.121 0.000 2.047 21 E HA -0.164 4.187 4.350 0.001 0.000 0.191 21 E C 1.824 178.425 176.600 0.003 0.000 0.987 21 E CA 0.864 57.232 56.400 -0.054 0.000 0.799 21 E CB -0.127 29.524 29.700 -0.082 0.000 0.752 21 E HN 0.402 nan 8.360 nan 0.000 0.449 22 A N 0.493 123.282 122.820 -0.051 0.000 1.978 22 A HA -0.147 4.173 4.320 0.001 0.000 0.220 22 A C 1.653 179.494 177.584 0.429 0.000 1.170 22 A CA 1.003 53.122 52.037 0.136 0.000 0.636 22 A CB -0.646 18.399 19.000 0.075 0.000 0.810 22 A HN 0.355 nan 8.150 nan 0.000 0.448 23 F N -0.173 119.894 119.950 0.195 0.000 2.802 23 F HA 0.046 4.574 4.527 0.000 0.000 0.300 23 F C 2.065 177.991 175.800 0.211 0.000 1.168 23 F CA 0.398 58.514 58.000 0.192 0.000 1.433 23 F CB -0.259 38.807 39.000 0.110 0.000 1.115 23 F HN 0.294 nan 8.300 nan 0.000 0.582 24 Q N -0.297 119.700 119.800 0.327 0.000 2.384 24 Q HA 0.126 4.466 4.340 0.001 0.000 0.207 24 Q C 0.459 176.562 176.000 0.172 0.000 0.904 24 Q CA 0.343 56.270 55.803 0.206 0.000 0.933 24 Q CB 0.563 29.379 28.738 0.131 0.000 1.077 24 Q HN 0.454 nan 8.270 nan 0.000 0.522 25 Q N -0.423 119.505 119.800 0.214 0.000 2.418 25 Q HA 0.419 4.760 4.340 0.001 0.000 0.276 25 Q C -0.461 175.610 176.000 0.117 0.000 1.081 25 Q CA -0.620 55.266 55.803 0.139 0.000 0.864 25 Q CB 1.465 30.273 28.738 0.117 0.000 1.384 25 Q HN -0.103 nan 8.270 nan 0.000 0.467 26 S N 2.292 117.994 115.700 0.004 0.000 2.579 26 S HA 0.061 4.531 4.470 0.001 0.000 0.275 26 S C -1.586 172.874 174.600 -0.233 0.000 1.345 26 S CA -0.768 57.354 58.200 -0.130 0.000 1.031 26 S CB 0.354 63.474 63.200 -0.134 0.000 0.892 26 S HN 0.510 nan 8.310 nan 0.000 0.529 27 P HA 0.043 nan 4.420 nan 0.000 0.249 27 P C 0.274 177.216 177.300 -0.597 0.000 1.229 27 P CA 0.666 63.323 63.100 -0.738 0.000 0.788 27 P CB 0.011 30.889 31.700 -1.370 0.000 1.072 28 Y N 0.777 120.997 120.300 -0.134 0.000 2.314 28 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 28 Y C 1.837 177.704 175.900 -0.055 0.000 1.129 28 Y CA 0.429 58.438 58.100 -0.152 0.000 1.201 28 Y CB -0.214 38.234 38.460 -0.020 0.000 0.999 28 Y HN -0.205 nan 8.280 nan 0.000 0.541 29 K N -0.880 119.600 120.400 0.133 0.000 9.641 29 K HA -0.268 4.052 4.320 0.001 0.000 0.509 29 K C 0.152 176.838 176.600 0.143 0.000 0.371 29 K CA 1.664 58.012 56.287 0.101 0.000 1.955 29 K CB -1.922 30.611 32.500 0.055 0.000 0.718 29 K HN 0.299 nan 8.250 nan 0.000 1.078 30 A N 1.765 124.686 122.820 0.167 0.000 2.449 30 A HA 0.676 4.996 4.320 0.001 0.000 0.302 30 A C -2.686 175.026 177.584 0.213 0.000 1.048 30 A CA -1.339 50.796 52.037 0.163 0.000 0.708 30 A CB 1.850 20.917 19.000 0.111 0.000 1.274 30 A HN -0.003 nan 8.150 nan 0.000 0.410 31 P HA 0.237 nan 4.420 nan 0.000 0.271 31 P C -2.590 174.621 177.300 -0.149 0.000 1.233 31 P CA -0.619 62.500 63.100 0.031 0.000 0.795 31 P CB -0.448 31.308 31.700 0.092 0.000 0.936 32 P HA 0.115 nan 4.420 nan 0.000 0.271 32 P C 0.250 177.369 177.300 -0.301 0.000 1.220 32 P CA 0.207 62.913 63.100 -0.656 0.000 0.768 32 P CB 0.559 31.610 31.700 -1.081 0.000 0.848 33 K N 0.952 121.249 120.400 -0.173 0.000 2.020 33 K HA 0.044 4.364 4.320 0.001 0.000 0.206 33 K C 1.027 177.547 176.600 -0.133 0.000 1.038 33 K CA 1.112 57.335 56.287 -0.107 0.000 0.947 33 K CB -0.581 31.893 32.500 -0.045 0.000 0.744 33 K HN 0.548 nan 8.250 nan 0.000 0.442 34 T N -0.614 113.864 114.554 -0.127 0.000 2.912 34 T HA 0.583 4.934 4.350 0.001 0.000 0.280 34 T C 0.177 174.745 174.700 -0.220 0.000 0.989 34 T CA -1.014 61.016 62.100 -0.118 0.000 0.995 34 T CB 1.452 70.290 68.868 -0.051 0.000 1.077 34 T HN 0.219 nan 8.240 nan 0.000 0.531 35 A N 0.814 123.480 122.820 -0.256 0.000 2.555 35 A HA 0.465 4.786 4.320 0.001 0.000 0.233 35 A C 0.168 177.355 177.584 -0.662 0.000 1.060 35 A CA -0.504 51.194 52.037 -0.566 0.000 0.759 35 A CB -0.339 18.134 19.000 -0.879 0.000 0.995 35 A HN 0.841 nan 8.150 nan 0.000 0.506 36 V N 2.862 122.380 119.914 -0.660 0.000 2.311 36 V HA 0.278 4.398 4.120 0.001 0.000 0.275 36 V C -0.579 175.408 176.094 -0.179 0.000 1.022 36 V CA -0.178 61.920 62.300 -0.338 0.000 0.830 36 V CB 0.014 31.628 31.823 -0.348 0.000 1.012 36 V HN 0.854 nan 8.190 nan 0.000 0.452 37 W N 5.476 126.967 121.300 0.318 0.000 2.512 37 W HA 0.775 5.435 4.660 0.000 0.000 0.335 37 W C -0.187 176.677 176.519 0.576 0.000 1.088 37 W CA -0.698 56.868 57.345 0.369 0.000 1.236 37 W CB 1.511 31.146 29.460 0.291 0.000 1.307 37 W HN 0.582 nan 8.180 nan 0.000 0.567 38 F N -0.198 120.088 119.950 0.559 0.000 2.726 38 F HA 0.867 5.394 4.527 0.001 0.000 0.324 38 F C -1.399 174.568 175.800 0.278 0.000 1.140 38 F CA -2.362 55.834 58.000 0.328 0.000 0.964 38 F CB 0.867 39.967 39.000 0.166 0.000 1.399 38 F HN 0.132 nan 8.300 nan 0.000 0.491 39 I N 1.731 122.460 120.570 0.265 0.000 2.545 39 I HA 0.347 4.518 4.170 0.001 0.000 0.292 39 I C -0.981 175.189 176.117 0.088 0.000 1.040 39 I CA -1.046 60.261 61.300 0.012 0.000 1.068 39 I CB 2.264 40.216 38.000 -0.080 0.000 1.251 39 I HN 0.399 nan 8.210 nan 0.000 0.424 40 K N 6.903 127.305 120.400 0.004 0.000 2.299 40 K HA 0.392 4.712 4.320 0.001 0.000 0.268 40 K C -2.487 174.094 176.600 -0.032 0.000 1.075 40 K CA -1.639 54.687 56.287 0.065 0.000 0.936 40 K CB 1.044 33.611 32.500 0.111 0.000 1.228 40 K HN 0.256 nan 8.250 nan 0.000 0.454 41 P HA 0.088 nan 4.420 nan 0.000 0.275 41 P C 0.537 177.784 177.300 -0.089 0.000 1.266 41 P CA -0.341 62.678 63.100 -0.135 0.000 0.793 41 P CB 0.710 32.295 31.700 -0.191 0.000 1.074 42 R N 1.389 121.786 120.500 -0.172 0.000 2.127 42 R HA -0.161 4.180 4.340 0.001 0.000 0.238 42 R C 1.527 177.888 176.300 0.102 0.000 1.134 42 R CA 1.864 57.877 56.100 -0.144 0.000 0.975 42 R CB -1.238 28.744 30.300 -0.529 0.000 0.865 42 R HN 0.430 nan 8.270 nan 0.000 0.447 43 N N 1.522 120.271 118.700 0.082 0.000 2.381 43 N HA -0.160 4.580 4.740 0.001 0.000 0.182 43 N C 1.481 177.087 175.510 0.160 0.000 1.025 43 N CA 1.805 54.978 53.050 0.204 0.000 0.888 43 N CB -0.394 38.163 38.487 0.117 0.000 0.965 43 N HN 0.523 nan 8.380 nan 0.000 0.438 44 T N -1.975 112.654 114.554 0.125 0.000 3.043 44 T HA 0.133 4.483 4.350 0.001 0.000 0.263 44 T C 0.885 175.680 174.700 0.158 0.000 1.094 44 T CA -0.117 62.074 62.100 0.152 0.000 1.127 44 T CB -0.415 68.551 68.868 0.163 0.000 0.905 44 T HN -0.055 nan 8.240 nan 0.000 0.490 45 V N 4.248 124.249 119.914 0.145 0.000 2.427 45 V HA 0.472 4.592 4.120 0.001 0.000 0.268 45 V C 0.308 176.478 176.094 0.127 0.000 1.046 45 V CA -0.784 61.593 62.300 0.128 0.000 0.970 45 V CB -0.086 31.802 31.823 0.109 0.000 1.001 45 V HN 0.588 nan 8.190 nan 0.000 0.476 46 I N 2.174 122.808 120.570 0.107 0.000 3.042 46 I HA 1.010 5.180 4.170 0.001 0.000 0.310 46 I C 0.388 176.550 176.117 0.076 0.000 1.117 46 I CA -0.821 60.531 61.300 0.086 0.000 1.003 46 I CB 2.271 40.322 38.000 0.085 0.000 1.228 46 I HN 0.540 nan 8.210 nan 0.000 0.443 47 G N 0.431 109.268 108.800 0.062 0.000 2.642 47 G HA2 0.442 4.403 3.960 0.001 0.000 0.291 47 G HA3 0.442 4.403 3.960 0.001 0.000 0.291 47 G C -0.738 174.195 174.900 0.055 0.000 1.345 47 G CA -0.664 44.471 45.100 0.058 0.000 1.043 47 G HN 0.969 nan 8.290 nan 0.000 0.528 48 C N -0.772 118.560 119.300 0.053 0.000 2.644 48 C HA 0.552 5.013 4.460 0.001 0.000 0.417 48 C C 1.915 176.930 174.990 0.043 0.000 1.304 48 C CA 1.188 60.237 59.018 0.050 0.000 2.035 48 C CB -0.334 27.437 27.740 0.052 0.000 2.673 48 C HN 2.184 nan 8.230 nan 0.000 0.602 49 G N 3.750 112.576 108.800 0.042 0.000 2.267 49 G HA2 -0.199 3.761 3.960 0.001 0.000 0.257 49 G HA3 -0.199 3.761 3.960 0.001 0.000 0.257 49 G C 0.040 174.963 174.900 0.038 0.000 0.998 49 G CA 0.526 45.648 45.100 0.037 0.000 0.620 49 G HN 0.927 nan 8.290 nan 0.000 0.529 50 E N 2.278 122.504 120.200 0.042 0.000 2.383 50 E HA 0.326 4.677 4.350 0.001 0.000 0.264 50 E C -2.159 174.474 176.600 0.055 0.000 1.050 50 E CA -1.359 55.067 56.400 0.044 0.000 0.896 50 E CB 0.865 30.593 29.700 0.046 0.000 0.982 50 E HN 0.248 nan 8.360 nan 0.000 0.424 51 P HA 0.086 nan 4.420 nan 0.000 0.276 51 P C -0.385 176.973 177.300 0.096 0.000 1.230 51 P CA 0.218 63.361 63.100 0.071 0.000 0.776 51 P CB 0.471 32.210 31.700 0.066 0.000 0.888 52 I N 5.535 126.170 120.570 0.109 0.000 2.363 52 I HA 0.149 4.319 4.170 0.001 0.000 0.292 52 I C -1.993 174.241 176.117 0.195 0.000 1.075 52 I CA -2.197 59.192 61.300 0.148 0.000 1.333 52 I CB 0.564 38.623 38.000 0.099 0.000 1.415 52 I HN 0.100 nan 8.210 nan 0.000 0.502 53 P HA 0.070 nan 4.420 nan 0.000 0.276 53 P C -0.754 176.714 177.300 0.279 0.000 1.243 53 P CA -0.149 63.075 63.100 0.207 0.000 0.768 53 P CB 0.319 32.101 31.700 0.137 0.000 0.856 54 F N 6.824 126.855 119.950 0.135 0.000 2.411 54 F HA 0.425 4.953 4.527 0.001 0.000 0.355 54 F C -2.182 173.688 175.800 0.116 0.000 1.117 54 F CA -2.869 55.220 58.000 0.149 0.000 1.139 54 F CB 1.025 40.080 39.000 0.092 0.000 1.120 54 F HN 0.210 nan 8.300 nan 0.000 0.493 55 P HA 0.102 nan 4.420 nan 0.000 0.287 55 P C -1.583 175.755 177.300 0.063 0.000 1.281 55 P CA -0.418 62.645 63.100 -0.062 0.000 0.781 55 P CB 0.999 32.609 31.700 -0.151 0.000 0.903 56 Q N 1.807 121.713 119.800 0.177 0.000 2.364 56 Q HA 0.382 4.722 4.340 0.001 0.000 0.267 56 Q C 0.843 176.925 176.000 0.136 0.000 0.999 56 Q CA 0.124 56.060 55.803 0.223 0.000 0.886 56 Q CB -0.236 28.590 28.738 0.146 0.000 1.243 56 Q HN 0.780 nan 8.270 nan 0.000 0.415 57 G N 0.913 109.815 108.800 0.169 0.000 2.157 57 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 57 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 57 G C -0.274 174.673 174.900 0.078 0.000 0.979 57 G CA 0.246 45.407 45.100 0.102 0.000 0.650 57 G HN 0.641 nan 8.290 nan 0.000 0.529 58 E N -0.157 120.094 120.200 0.083 0.000 2.244 58 E HA 0.668 5.019 4.350 0.001 0.000 0.266 58 E C -0.084 176.552 176.600 0.059 0.000 0.914 58 E CA -0.931 55.473 56.400 0.006 0.000 0.794 58 E CB 1.018 30.653 29.700 -0.109 0.000 1.210 58 E HN 0.229 nan 8.360 nan 0.000 0.414 59 K N 1.732 122.157 120.400 0.041 0.000 2.248 59 K HA 0.451 4.772 4.320 0.001 0.000 0.281 59 K C -1.317 175.292 176.600 0.015 0.000 1.054 59 K CA -0.482 55.848 56.287 0.072 0.000 0.903 59 K CB 0.612 33.147 32.500 0.058 0.000 1.077 59 K HN 0.230 nan 8.250 nan 0.000 0.474 60 V N 6.405 126.339 119.914 0.032 0.000 2.487 60 V HA 0.383 4.503 4.120 0.001 0.000 0.298 60 V C -0.452 175.642 176.094 -0.000 0.000 1.028 60 V CA -0.911 61.358 62.300 -0.052 0.000 0.860 60 V CB 1.498 33.192 31.823 -0.215 0.000 0.991 60 V HN 0.700 nan 8.190 nan 0.000 0.427 61 L N 3.114 124.303 121.223 -0.057 0.000 2.307 61 L HA 0.542 4.882 4.340 0.001 0.000 0.284 61 L C 0.583 177.406 176.870 -0.079 0.000 1.023 61 L CA -0.246 54.571 54.840 -0.038 0.000 0.810 61 L CB 1.942 43.987 42.059 -0.023 0.000 1.231 61 L HN 0.684 nan 8.230 nan 0.000 0.423 62 S N 1.322 117.001 115.700 -0.035 0.000 2.584 62 S HA 0.459 4.929 4.470 0.001 0.000 0.270 62 S C 0.521 175.119 174.600 -0.005 0.000 1.346 62 S CA 0.100 58.284 58.200 -0.028 0.000 1.018 62 S CB 0.838 64.045 63.200 0.013 0.000 0.899 62 S HN 0.835 nan 8.310 nan 0.000 0.542 63 G N 1.783 110.595 108.800 0.021 0.000 4.831 63 G HA2 0.556 4.516 3.960 0.001 0.000 0.231 63 G HA3 0.556 4.516 3.960 0.001 0.000 0.231 63 G C -0.118 174.861 174.900 0.133 0.000 1.006 63 G CA 0.065 45.200 45.100 0.060 0.000 0.792 63 G HN 1.011 nan 8.290 nan 0.000 0.546 64 A N 0.648 123.568 122.820 0.166 0.000 2.566 64 A HA 0.578 4.899 4.320 0.001 0.000 0.245 64 A C 0.687 178.489 177.584 0.364 0.000 1.056 64 A CA 1.356 53.515 52.037 0.204 0.000 0.757 64 A CB 0.422 19.526 19.000 0.172 0.000 0.979 64 A HN 0.818 nan 8.150 nan 0.000 0.508 65 T N 0.653 115.353 114.554 0.243 0.000 2.648 65 T HA 0.522 4.872 4.350 0.001 0.000 0.304 65 T C -1.184 173.563 174.700 0.079 0.000 1.312 65 T CA 0.293 62.582 62.100 0.315 0.000 1.023 65 T CB 0.871 69.963 68.868 0.373 0.000 1.612 65 T HN 1.645 nan 8.240 nan 0.000 0.487 66 V N 0.807 120.779 119.914 0.096 0.000 2.823 66 V HA 0.932 5.052 4.120 0.001 0.000 0.312 66 V C -0.862 175.336 176.094 0.173 0.000 1.072 66 V CA -0.218 62.106 62.300 0.041 0.000 0.937 66 V CB 1.408 33.186 31.823 -0.076 0.000 1.013 66 V HN 1.262 nan 8.190 nan 0.000 0.430 67 A N 6.052 128.995 122.820 0.205 0.000 2.318 67 A HA 0.788 5.108 4.320 0.001 0.000 0.324 67 A C -0.666 177.071 177.584 0.255 0.000 1.170 67 A CA -0.664 51.499 52.037 0.211 0.000 0.810 67 A CB 1.075 20.164 19.000 0.149 0.000 1.198 67 A HN 1.579 nan 8.150 nan 0.000 0.484 68 L N 1.645 122.990 121.223 0.203 0.000 2.397 68 L HA 0.627 4.967 4.340 0.001 0.000 0.271 68 L C -0.547 176.282 176.870 -0.069 0.000 1.148 68 L CA 0.021 54.823 54.840 -0.063 0.000 0.825 68 L CB 0.045 42.069 42.059 -0.057 0.000 1.117 68 L HN 0.422 nan 8.230 nan 0.000 0.456 69 I N 4.030 124.497 120.570 -0.170 0.000 2.389 69 I HA 0.320 4.491 4.170 0.001 0.000 0.288 69 I C -0.059 176.004 176.117 -0.090 0.000 0.999 69 I CA -0.645 60.609 61.300 -0.076 0.000 1.129 69 I CB 1.559 39.528 38.000 -0.051 0.000 1.288 69 I HN 0.433 nan 8.210 nan 0.000 0.444 70 V N 6.017 125.911 119.914 -0.034 0.000 2.555 70 V HA 0.270 4.390 4.120 0.001 0.000 0.286 70 V C 1.355 177.440 176.094 -0.014 0.000 1.044 70 V CA 0.277 62.567 62.300 -0.016 0.000 1.026 70 V CB 1.161 32.988 31.823 0.006 0.000 0.981 70 V HN 1.031 nan 8.190 nan 0.000 0.480 71 G N 4.596 113.386 108.800 -0.016 0.000 2.656 71 G HA2 0.166 4.126 3.960 0.001 0.000 0.211 71 G HA3 0.166 4.126 3.960 0.001 0.000 0.211 71 G C 0.377 175.260 174.900 -0.028 0.000 1.137 71 G CA 0.207 45.288 45.100 -0.032 0.000 0.802 71 G HN 0.704 nan 8.290 nan 0.000 0.527 72 K N -0.839 119.561 120.400 -0.001 0.000 2.555 72 K HA 0.446 4.767 4.320 0.001 0.000 0.279 72 K C -1.205 175.455 176.600 0.099 0.000 0.986 72 K CA -0.756 55.536 56.287 0.008 0.000 0.880 72 K CB 0.540 32.992 32.500 -0.080 0.000 1.474 72 K HN -0.146 nan 8.250 nan 0.000 0.433 73 T N 1.044 115.646 114.554 0.080 0.000 2.866 73 T HA 0.211 4.562 4.350 0.001 0.000 0.293 73 T C -0.120 174.680 174.700 0.165 0.000 1.005 73 T CA 0.317 62.469 62.100 0.085 0.000 1.162 73 T CB 0.117 69.014 68.868 0.050 0.000 0.968 73 T HN 0.585 nan 8.240 nan 0.000 0.530 74 A N 3.933 126.782 122.820 0.049 0.000 2.360 74 A HA 0.599 4.919 4.320 0.001 0.000 0.309 74 A C 0.233 177.705 177.584 -0.187 0.000 1.311 74 A CA -0.719 51.257 52.037 -0.102 0.000 0.805 74 A CB 0.749 19.666 19.000 -0.139 0.000 1.144 74 A HN 0.697 nan 8.150 nan 0.000 0.486 75 T N 2.228 116.669 114.554 -0.190 0.000 2.840 75 T HA 0.417 4.768 4.350 0.001 0.000 0.287 75 T C -0.193 174.395 174.700 -0.186 0.000 0.991 75 T CA -0.596 61.404 62.100 -0.166 0.000 0.964 75 T CB 0.886 69.701 68.868 -0.089 0.000 0.954 75 T HN 0.668 nan 8.240 nan 0.000 0.438 76 K N 1.232 121.518 120.400 -0.189 0.000 3.148 76 K HA -0.125 4.196 4.320 0.001 0.000 0.267 76 K C -0.205 176.277 176.600 -0.196 0.000 0.996 76 K CA -0.060 56.133 56.287 -0.157 0.000 0.737 76 K CB -1.546 30.897 32.500 -0.094 0.000 1.308 76 K HN 0.433 nan 8.250 nan 0.000 0.470 77 V N 1.526 121.262 119.914 -0.297 0.000 2.572 77 V HA 0.022 4.142 4.120 0.001 0.000 0.291 77 V C 1.149 177.124 176.094 -0.199 0.000 1.039 77 V CA 0.030 62.108 62.300 -0.369 0.000 1.055 77 V CB 0.724 32.157 31.823 -0.650 0.000 0.969 77 V HN 0.266 nan 8.190 nan 0.000 0.482 78 R N 3.597 124.017 120.500 -0.133 0.000 2.543 78 R HA 0.147 4.487 4.340 0.001 0.000 0.277 78 R C 1.151 177.423 176.300 -0.046 0.000 1.074 78 R CA -0.314 55.748 56.100 -0.065 0.000 1.076 78 R CB 0.839 31.122 30.300 -0.028 0.000 0.993 78 R HN 0.717 nan 8.270 nan 0.000 0.459 79 E N 2.188 122.373 120.200 -0.025 0.000 2.097 79 E HA -0.268 4.082 4.350 0.001 0.000 0.196 79 E C 1.601 178.211 176.600 0.016 0.000 1.000 79 E CA 1.658 58.056 56.400 -0.005 0.000 0.804 79 E CB 0.065 29.767 29.700 0.003 0.000 0.740 79 E HN 0.665 nan 8.360 nan 0.000 0.454 80 E N 1.003 121.214 120.200 0.017 0.000 2.268 80 E HA -0.204 4.146 4.350 0.001 0.000 0.195 80 E C 0.685 177.314 176.600 0.048 0.000 0.995 80 E CA 1.054 57.472 56.400 0.029 0.000 0.836 80 E CB -0.015 29.698 29.700 0.023 0.000 0.763 80 E HN 0.237 nan 8.360 nan 0.000 0.491 81 D N 0.763 121.198 120.400 0.059 0.000 2.349 81 D HA 0.205 4.846 4.640 0.001 0.000 0.214 81 D C 1.582 177.992 176.300 0.184 0.000 1.063 81 D CA 0.646 54.717 54.000 0.118 0.000 0.847 81 D CB 0.512 41.401 40.800 0.149 0.000 0.933 81 D HN 0.267 nan 8.370 nan 0.000 0.513 82 A N 1.386 124.273 122.820 0.111 0.000 1.908 82 A HA -0.141 4.179 4.320 0.001 0.000 0.218 82 A C 2.347 180.038 177.584 0.178 0.000 1.181 82 A CA 1.934 54.045 52.037 0.123 0.000 0.627 82 A CB -0.510 18.529 19.000 0.065 0.000 0.818 82 A HN 0.241 nan 8.150 nan 0.000 0.445 83 A N 0.652 123.552 122.820 0.133 0.000 1.948 83 A HA -0.229 4.091 4.320 0.001 0.000 0.220 83 A C 1.976 179.600 177.584 0.068 0.000 1.177 83 A CA 1.901 54.000 52.037 0.104 0.000 0.636 83 A CB -0.673 18.379 19.000 0.087 0.000 0.815 83 A HN 0.837 nan 8.150 nan 0.000 0.449 84 E N -1.917 118.320 120.200 0.062 0.000 2.338 84 E HA -0.181 4.170 4.350 0.001 0.000 0.197 84 E C 1.108 177.568 176.600 -0.233 0.000 1.007 84 E CA 1.098 57.446 56.400 -0.086 0.000 0.849 84 E CB -0.361 29.256 29.700 -0.138 0.000 0.774 84 E HN 0.739 nan 8.360 nan 0.000 0.506 85 Y N 0.553 120.834 120.300 -0.031 0.000 2.457 85 Y HA 0.346 4.896 4.550 0.001 0.000 0.263 85 Y C 0.521 176.382 175.900 -0.065 0.000 1.164 85 Y CA -0.177 57.895 58.100 -0.046 0.000 1.274 85 Y CB 0.623 39.053 38.460 -0.050 0.000 1.097 85 Y HN -0.033 nan 8.280 nan 0.000 0.523 86 I N 0.013 120.602 120.570 0.032 0.000 2.330 86 I HA 0.268 4.438 4.170 0.001 0.000 0.289 86 I C 0.911 176.965 176.117 -0.105 0.000 1.001 86 I CA -0.452 60.803 61.300 -0.076 0.000 1.193 86 I CB 1.728 39.648 38.000 -0.133 0.000 1.345 86 I HN 0.034 nan 8.210 nan 0.000 0.461 87 A N 4.873 127.624 122.820 -0.115 0.000 2.016 87 A HA 0.483 4.803 4.320 0.001 0.000 0.217 87 A C 1.100 178.621 177.584 -0.105 0.000 1.162 87 A CA 1.174 53.156 52.037 -0.091 0.000 0.662 87 A CB -0.148 18.814 19.000 -0.065 0.000 0.812 87 A HN 0.916 nan 8.150 nan 0.000 0.450 88 G N -3.045 105.628 108.800 -0.211 0.000 2.344 88 G HA2 0.430 4.391 3.960 0.001 0.000 0.282 88 G HA3 0.430 4.391 3.960 0.001 0.000 0.282 88 G C -1.550 173.097 174.900 -0.423 0.000 1.281 88 G CA -0.636 44.349 45.100 -0.193 0.000 0.877 88 G HN 0.196 nan 8.290 nan 0.000 0.494 89 Y N -0.483 119.868 120.300 0.085 0.000 2.553 89 Y HA 0.779 5.329 4.550 0.000 0.000 0.347 89 Y C 0.374 176.468 175.900 0.322 0.000 1.019 89 Y CA -0.177 58.050 58.100 0.213 0.000 1.032 89 Y CB 2.686 41.341 38.460 0.325 0.000 1.284 89 Y HN 1.079 nan 8.280 nan 0.000 0.466 90 A N 2.298 125.415 122.820 0.495 0.000 2.455 90 A HA 0.682 5.002 4.320 0.001 0.000 0.300 90 A C -1.339 176.379 177.584 0.222 0.000 1.040 90 A CA -0.802 51.469 52.037 0.390 0.000 0.697 90 A CB 0.925 20.054 19.000 0.216 0.000 1.265 90 A HN 0.762 nan 8.150 nan 0.000 0.407 91 L N 1.159 122.433 121.223 0.086 0.000 2.506 91 L HA 0.391 4.732 4.340 0.001 0.000 0.281 91 L C 0.774 177.665 176.870 0.036 0.000 1.228 91 L CA 0.481 55.273 54.840 -0.080 0.000 0.850 91 L CB 0.494 42.489 42.059 -0.105 0.000 1.110 91 L HN 0.941 nan 8.230 nan 0.000 0.496 92 A N 2.731 125.572 122.820 0.035 0.000 2.588 92 A HA 0.669 4.989 4.320 0.001 0.000 0.290 92 A C -1.330 176.303 177.584 0.083 0.000 1.136 92 A CA -0.638 51.444 52.037 0.075 0.000 0.681 92 A CB 1.841 20.900 19.000 0.099 0.000 1.282 92 A HN 0.610 nan 8.150 nan 0.000 0.421 93 N N 0.851 119.605 118.700 0.090 0.000 2.558 93 N HA 0.247 4.987 4.740 0.001 0.000 0.285 93 N C -1.897 173.668 175.510 0.092 0.000 1.112 93 N CA -0.262 52.839 53.050 0.085 0.000 0.857 93 N CB 1.754 40.273 38.487 0.053 0.000 1.376 93 N HN 0.648 nan 8.380 nan 0.000 0.526 94 D N 3.238 123.713 120.400 0.125 0.000 2.541 94 D HA 0.076 4.716 4.640 0.001 0.000 0.231 94 D C -0.152 176.181 176.300 0.053 0.000 1.163 94 D CA -0.014 54.081 54.000 0.157 0.000 1.077 94 D CB -0.037 40.914 40.800 0.252 0.000 1.110 94 D HN 0.146 nan 8.370 nan 0.000 0.499 95 V N 2.220 122.105 119.914 -0.048 0.000 2.740 95 V HA 0.346 4.466 4.120 0.001 0.000 0.303 95 V C 0.672 176.599 176.094 -0.278 0.000 1.054 95 V CA 0.011 62.119 62.300 -0.321 0.000 1.106 95 V CB 1.136 32.557 31.823 -0.670 0.000 0.957 95 V HN 0.521 nan 8.190 nan 0.000 0.486 96 S N 3.429 118.971 115.700 -0.263 0.000 2.567 96 S HA 0.631 5.101 4.470 0.001 0.000 0.270 96 S C -0.996 173.620 174.600 0.027 0.000 1.152 96 S CA -0.766 57.442 58.200 0.013 0.000 0.835 96 S CB 1.116 64.323 63.200 0.011 0.000 1.115 96 S HN 0.532 nan 8.310 nan 0.000 0.459 97 L N 2.152 123.439 121.223 0.107 0.000 2.479 97 L HA 0.482 4.823 4.340 0.001 0.000 0.249 97 L C -2.113 174.757 176.870 0.000 0.000 1.178 97 L CA -2.343 52.522 54.840 0.042 0.000 0.811 97 L CB 0.241 42.312 42.059 0.021 0.000 1.187 97 L HN 0.469 nan 8.230 nan 0.000 0.480 98 P HA -0.010 nan 4.420 nan 0.000 0.266 98 P C -1.123 176.162 177.300 -0.025 0.000 1.195 98 P CA 0.130 63.232 63.100 0.004 0.000 0.768 98 P CB 0.316 32.028 31.700 0.021 0.000 0.838 99 E N 2.408 122.595 120.200 -0.021 0.000 1.932 99 E HA 0.020 4.371 4.350 0.001 0.000 0.259 99 E C 0.561 177.169 176.600 0.013 0.000 1.099 99 E CA -0.007 56.307 56.400 -0.143 0.000 0.970 99 E CB 0.080 29.693 29.700 -0.146 0.000 1.143 99 E HN 0.456 nan 8.360 nan 0.000 0.441 100 E N 0.574 120.792 120.200 0.029 0.000 2.364 100 E HA 0.026 4.376 4.350 0.001 0.000 0.196 100 E C 0.476 177.270 176.600 0.325 0.000 0.990 100 E CA 0.226 56.747 56.400 0.202 0.000 0.886 100 E CB 0.835 30.601 29.700 0.111 0.000 0.866 100 E HN 0.124 nan 8.360 nan 0.000 0.493 101 S N -0.951 114.818 115.700 0.115 0.000 2.549 101 S HA 0.458 4.929 4.470 0.001 0.000 0.280 101 S C -0.958 173.574 174.600 -0.115 0.000 1.109 101 S CA -0.622 57.711 58.200 0.222 0.000 0.905 101 S CB 0.705 64.051 63.200 0.243 0.000 1.081 101 S HN 0.006 nan 8.310 nan 0.000 0.477 102 F N 2.282 122.352 119.950 0.201 0.000 2.683 102 F HA 0.328 4.856 4.527 0.001 0.000 0.306 102 F C 1.004 176.962 175.800 0.264 0.000 1.102 102 F CA -0.339 57.684 58.000 0.038 0.000 1.244 102 F CB 0.159 38.948 39.000 -0.351 0.000 1.029 102 F HN 0.746 nan 8.300 nan 0.000 0.545 103 Y N 0.860 121.367 120.300 0.344 0.000 2.153 103 Y HA 0.174 4.725 4.550 0.000 0.000 0.289 103 Y C 1.290 177.286 175.900 0.159 0.000 1.119 103 Y CA 1.315 59.497 58.100 0.137 0.000 1.116 103 Y CB 0.132 38.529 38.460 -0.104 0.000 1.004 103 Y HN -0.334 nan 8.280 nan 0.000 0.501 104 R N 0.715 121.233 120.500 0.030 0.000 2.596 104 R HA 0.338 4.679 4.340 0.001 0.000 0.267 104 R C -2.592 173.759 176.300 0.085 0.000 1.026 104 R CA -2.954 53.110 56.100 -0.060 0.000 1.087 104 R CB -0.494 29.794 30.300 -0.021 0.000 1.132 104 R HN 0.051 nan 8.270 nan 0.000 0.531 105 P HA 0.013 nan 4.420 nan 0.000 0.265 105 P C -0.653 176.510 177.300 -0.229 0.000 1.193 105 P CA 0.302 63.282 63.100 -0.200 0.000 0.765 105 P CB 0.504 32.181 31.700 -0.039 0.000 0.823 106 A N 4.219 126.751 122.820 -0.481 0.000 3.168 106 A HA 0.127 4.447 4.320 0.001 0.000 0.260 106 A C 1.277 178.724 177.584 -0.228 0.000 1.598 106 A CA -0.127 51.724 52.037 -0.309 0.000 1.285 106 A CB -1.193 17.605 19.000 -0.336 0.000 1.149 106 A HN 0.397 nan 8.150 nan 0.000 0.630 107 I N 0.235 120.721 120.570 -0.140 0.000 2.193 107 I HA -0.157 4.013 4.170 0.001 0.000 0.240 107 I C 2.136 178.169 176.117 -0.141 0.000 1.084 107 I CA 1.464 62.742 61.300 -0.037 0.000 1.365 107 I CB -1.015 37.055 38.000 0.116 0.000 1.064 107 I HN 0.494 nan 8.210 nan 0.000 0.410 108 K N 0.876 121.010 120.400 -0.443 0.000 2.209 108 K HA -0.081 4.239 4.320 0.001 0.000 0.204 108 K C 2.115 178.520 176.600 -0.323 0.000 1.048 108 K CA 1.357 57.212 56.287 -0.720 0.000 0.940 108 K CB -0.087 31.905 32.500 -0.847 0.000 0.729 108 K HN 0.298 nan 8.250 nan 0.000 0.451 109 A N 1.374 124.076 122.820 -0.197 0.000 1.930 109 A HA -0.084 4.237 4.320 0.001 0.000 0.215 109 A C 1.701 179.318 177.584 0.055 0.000 1.176 109 A CA 1.210 53.201 52.037 -0.077 0.000 0.632 109 A CB 0.079 19.018 19.000 -0.101 0.000 0.819 109 A HN 0.128 nan 8.150 nan 0.000 0.445 110 K N -1.882 118.529 120.400 0.019 0.000 2.380 110 K HA 0.154 4.475 4.320 0.001 0.000 0.198 110 K C 0.304 177.015 176.600 0.185 0.000 1.070 110 K CA 0.264 56.641 56.287 0.150 0.000 1.040 110 K CB 0.548 33.054 32.500 0.011 0.000 0.903 110 K HN 0.421 nan 8.250 nan 0.000 0.549 111 C N 1.905 121.252 119.300 0.079 0.000 2.589 111 C HA 0.303 4.764 4.460 0.001 0.000 0.307 111 C C 0.644 175.635 174.990 0.001 0.000 1.328 111 C CA -0.772 58.301 59.018 0.091 0.000 1.742 111 C CB -1.362 26.467 27.740 0.148 0.000 2.037 111 C HN 0.246 nan 8.230 nan 0.000 0.592 112 R N 1.824 122.158 120.500 -0.276 0.000 2.641 112 R HA 0.184 4.524 4.340 0.001 0.000 0.269 112 R C -0.354 175.750 176.300 -0.326 0.000 1.074 112 R CA -0.200 55.587 56.100 -0.522 0.000 1.133 112 R CB 0.378 29.903 30.300 -1.293 0.000 1.029 112 R HN 0.311 nan 8.270 nan 0.000 0.488 113 D N 0.686 120.974 120.400 -0.186 0.000 2.506 113 D HA 0.031 4.672 4.640 0.001 0.000 0.234 113 D C 1.241 177.606 176.300 0.108 0.000 1.143 113 D CA 1.491 55.479 54.000 -0.020 0.000 0.871 113 D CB 0.462 41.256 40.800 -0.011 0.000 1.190 113 D HN 0.762 nan 8.370 nan 0.000 0.459 114 G N 1.529 110.433 108.800 0.173 0.000 2.168 114 G HA2 -0.334 3.626 3.960 0.001 0.000 0.257 114 G HA3 -0.334 3.626 3.960 0.001 0.000 0.257 114 G C 0.637 175.760 174.900 0.372 0.000 0.997 114 G CA -0.175 45.063 45.100 0.230 0.000 0.708 114 G HN 0.419 nan 8.290 nan 0.000 0.520 115 F N -0.291 119.697 119.950 0.063 0.000 2.773 115 F HA 0.412 4.939 4.527 0.000 0.000 0.304 115 F C 1.596 177.446 175.800 0.084 0.000 1.129 115 F CA -0.622 57.416 58.000 0.064 0.000 1.378 115 F CB 0.248 39.281 39.000 0.055 0.000 1.095 115 F HN 0.266 nan 8.300 nan 0.000 0.565 116 C N 2.188 121.619 119.300 0.219 0.000 3.445 116 C HA 0.443 4.903 4.460 0.001 0.000 0.213 116 C C -2.497 172.564 174.990 0.118 0.000 1.319 116 C CA -2.191 56.920 59.018 0.155 0.000 1.402 116 C CB -1.017 26.816 27.740 0.155 0.000 1.819 116 C HN -0.049 nan 8.230 nan 0.000 0.491 117 P HA 0.218 nan 4.420 nan 0.000 0.262 117 P C -0.520 176.830 177.300 0.084 0.000 1.182 117 P CA 0.704 63.854 63.100 0.083 0.000 0.761 117 P CB 0.420 32.160 31.700 0.067 0.000 0.795 118 I N 2.068 122.687 120.570 0.082 0.000 2.619 118 I HA 0.616 4.786 4.170 0.001 0.000 0.292 118 I C 0.370 176.537 176.117 0.083 0.000 1.100 118 I CA -0.540 60.811 61.300 0.084 0.000 1.043 118 I CB 1.925 39.977 38.000 0.086 0.000 1.239 118 I HN 0.416 nan 8.210 nan 0.000 0.420 119 G N 4.591 113.447 108.800 0.092 0.000 2.543 119 G HA2 0.248 4.209 3.960 0.001 0.000 0.267 119 G HA3 0.248 4.209 3.960 0.001 0.000 0.267 119 G C -0.694 174.272 174.900 0.110 0.000 1.406 119 G CA -0.480 44.680 45.100 0.099 0.000 1.048 119 G HN 0.712 nan 8.290 nan 0.000 0.548 120 E N -0.815 119.455 120.200 0.117 0.000 2.354 120 E HA 0.310 4.660 4.350 0.001 0.000 0.269 120 E C -0.332 176.346 176.600 0.130 0.000 1.036 120 E CA -0.319 56.142 56.400 0.102 0.000 0.876 120 E CB 0.494 30.245 29.700 0.086 0.000 1.009 120 E HN 0.224 nan 8.360 nan 0.000 0.416 121 T N 2.849 117.459 114.554 0.094 0.000 2.897 121 T HA 0.335 4.685 4.350 0.001 0.000 0.294 121 T C -0.572 174.157 174.700 0.048 0.000 1.004 121 T CA -0.544 61.610 62.100 0.090 0.000 1.106 121 T CB 0.992 69.890 68.868 0.050 0.000 0.949 121 T HN 0.270 nan 8.240 nan 0.000 0.520 122 V N 1.521 121.449 119.914 0.023 0.000 2.789 122 V HA 0.658 4.778 4.120 0.001 0.000 0.311 122 V C 0.136 176.205 176.094 -0.042 0.000 1.073 122 V CA -1.312 60.949 62.300 -0.064 0.000 0.921 122 V CB 1.937 33.624 31.823 -0.227 0.000 1.009 122 V HN 1.003 nan 8.190 nan 0.000 0.426 123 A N 5.437 128.234 122.820 -0.038 0.000 3.091 123 A HA 0.615 4.935 4.320 0.001 0.000 0.264 123 A C -0.092 177.498 177.584 0.011 0.000 1.673 123 A CA -0.146 51.888 52.037 -0.005 0.000 1.362 123 A CB -0.805 18.185 19.000 -0.015 0.000 1.137 123 A HN 0.729 nan 8.150 nan 0.000 0.617 124 L N 0.473 121.733 121.223 0.061 0.000 2.375 124 L HA 0.288 4.628 4.340 0.001 0.000 0.271 124 L C 1.864 178.819 176.870 0.141 0.000 1.107 124 L CA -0.291 54.573 54.840 0.041 0.000 0.806 124 L CB 1.362 43.370 42.059 -0.085 0.000 1.146 124 L HN 0.562 nan 8.230 nan 0.000 0.447 125 S N 1.822 117.560 115.700 0.064 0.000 2.399 125 S HA -0.101 4.369 4.470 0.001 0.000 0.231 125 S C 0.451 175.116 174.600 0.109 0.000 1.022 125 S CA 1.515 59.762 58.200 0.079 0.000 0.983 125 S CB -0.321 62.897 63.200 0.030 0.000 0.803 125 S HN 0.959 nan 8.310 nan 0.000 0.480 126 N N -1.907 116.799 118.700 0.009 0.000 3.355 126 N HA 0.262 5.002 4.740 0.001 0.000 0.238 126 N C -0.889 174.426 175.510 -0.324 0.000 1.466 126 N CA -0.290 52.691 53.050 -0.116 0.000 0.882 126 N CB 1.461 39.928 38.487 -0.034 0.000 1.406 126 N HN 0.236 nan 8.380 nan 0.000 0.500 127 V N -3.581 116.107 119.914 -0.375 0.000 2.841 127 V HA 0.501 4.621 4.120 0.001 0.000 0.363 127 V C -0.849 175.163 176.094 -0.137 0.000 1.330 127 V CA -0.692 61.444 62.300 -0.275 0.000 1.207 127 V CB -0.431 31.172 31.823 -0.366 0.000 1.318 127 V HN 0.578 nan 8.190 nan 0.000 0.603 128 D N 2.227 122.573 120.400 -0.091 0.000 2.443 128 D HA 0.168 4.808 4.640 0.001 0.000 0.239 128 D C 0.718 176.990 176.300 -0.046 0.000 1.136 128 D CA 0.861 54.833 54.000 -0.047 0.000 0.879 128 D CB 0.364 41.148 40.800 -0.028 0.000 1.195 128 D HN 0.630 nan 8.370 nan 0.000 0.443 129 N N -0.487 118.192 118.700 -0.035 0.000 2.721 129 N HA -0.251 4.490 4.740 0.001 0.000 0.249 129 N C -0.686 174.788 175.510 -0.059 0.000 1.072 129 N CA 0.055 53.085 53.050 -0.034 0.000 0.710 129 N CB -0.973 37.501 38.487 -0.022 0.000 0.993 129 N HN 0.278 nan 8.380 nan 0.000 0.547 130 L N 0.286 121.449 121.223 -0.099 0.000 2.295 130 L HA 0.454 4.795 4.340 0.001 0.000 0.285 130 L C -0.030 176.691 176.870 -0.248 0.000 1.035 130 L CA -0.055 54.703 54.840 -0.136 0.000 0.806 130 L CB 1.456 43.433 42.059 -0.137 0.000 1.214 130 L HN 0.036 nan 8.230 nan 0.000 0.426 131 T N 6.612 121.021 114.554 -0.242 0.000 2.771 131 T HA 0.506 4.856 4.350 0.001 0.000 0.291 131 T C 0.016 174.375 174.700 -0.568 0.000 0.954 131 T CA 0.087 61.932 62.100 -0.425 0.000 1.045 131 T CB 0.171 68.790 68.868 -0.415 0.000 0.917 131 T HN 0.395 nan 8.240 nan 0.000 0.484 132 I N 4.049 124.156 120.570 -0.772 0.000 2.355 132 I HA 0.353 4.524 4.170 0.001 0.000 0.288 132 I C -0.856 174.938 176.117 -0.538 0.000 0.999 132 I CA -0.872 60.024 61.300 -0.673 0.000 1.163 132 I CB 0.868 38.271 38.000 -0.994 0.000 1.316 132 I HN 0.581 nan 8.210 nan 0.000 0.454 133 Y N 3.736 123.963 120.300 -0.121 0.000 2.387 133 Y HA 0.455 5.005 4.550 0.000 0.000 0.336 133 Y C 0.528 176.434 175.900 0.011 0.000 1.067 133 Y CA -0.595 57.502 58.100 -0.006 0.000 1.114 133 Y CB 1.918 40.378 38.460 -0.000 0.000 1.208 133 Y HN 0.355 nan 8.280 nan 0.000 0.458 134 T N 3.115 117.798 114.554 0.215 0.000 2.792 134 T HA 0.383 4.733 4.350 0.001 0.000 0.280 134 T C -0.764 174.020 174.700 0.140 0.000 0.990 134 T CA -0.954 61.235 62.100 0.149 0.000 0.960 134 T CB 0.744 69.686 68.868 0.125 0.000 0.939 134 T HN 0.509 nan 8.240 nan 0.000 0.439 135 E N 2.387 122.646 120.200 0.098 0.000 2.187 135 E HA 0.496 4.846 4.350 0.001 0.000 0.268 135 E C -0.682 175.951 176.600 0.054 0.000 0.896 135 E CA -0.610 55.831 56.400 0.069 0.000 0.766 135 E CB 1.906 31.633 29.700 0.045 0.000 1.142 135 E HN 0.505 nan 8.360 nan 0.000 0.408 136 I N 3.358 123.956 120.570 0.047 0.000 2.362 136 I HA 0.182 4.353 4.170 0.001 0.000 0.289 136 I C -0.147 175.986 176.117 0.027 0.000 0.994 136 I CA -0.663 60.659 61.300 0.037 0.000 1.158 136 I CB 1.168 39.190 38.000 0.036 0.000 1.315 136 I HN 0.547 nan 8.210 nan 0.000 0.451 137 N N 4.985 123.698 118.700 0.022 0.000 2.721 137 N HA -0.204 4.536 4.740 0.001 0.000 0.249 137 N C 0.959 176.478 175.510 0.014 0.000 1.072 137 N CA 1.233 54.292 53.050 0.016 0.000 0.710 137 N CB -1.087 37.407 38.487 0.011 0.000 0.993 137 N HN 1.171 nan 8.380 nan 0.000 0.547 138 G N -0.962 107.848 108.800 0.016 0.000 2.168 138 G HA2 -0.379 3.581 3.960 0.001 0.000 0.263 138 G HA3 -0.379 3.581 3.960 0.001 0.000 0.263 138 G C 0.126 175.032 174.900 0.011 0.000 0.977 138 G CA 0.733 45.840 45.100 0.011 0.000 0.659 138 G HN 0.595 nan 8.290 nan 0.000 0.533 139 R N 0.591 121.103 120.500 0.019 0.000 2.474 139 R HA 0.474 4.815 4.340 0.001 0.000 0.295 139 R C -2.472 173.850 176.300 0.037 0.000 0.980 139 R CA -2.101 54.013 56.100 0.022 0.000 0.934 139 R CB 1.264 31.578 30.300 0.023 0.000 1.101 139 R HN 0.004 nan 8.270 nan 0.000 0.469 140 P HA -0.006 nan 4.420 nan 0.000 0.266 140 P C -0.814 176.540 177.300 0.090 0.000 1.195 140 P CA 0.471 63.621 63.100 0.082 0.000 0.768 140 P CB 1.085 32.838 31.700 0.089 0.000 0.838 141 A N 1.836 124.724 122.820 0.112 0.000 2.010 141 A HA 0.283 4.604 4.320 0.001 0.000 0.193 141 A C 0.015 177.650 177.584 0.086 0.000 1.659 141 A CA 0.522 52.611 52.037 0.086 0.000 1.175 141 A CB 0.049 19.090 19.000 0.069 0.000 1.301 141 A HN 0.520 nan 8.150 nan 0.000 0.448 142 D N -1.476 119.000 120.400 0.126 0.000 2.654 142 D HA 0.536 5.176 4.640 0.001 0.000 0.231 142 D C -1.349 175.051 176.300 0.166 0.000 1.239 142 D CA -0.200 53.855 54.000 0.091 0.000 0.790 142 D CB 1.344 42.199 40.800 0.092 0.000 1.480 142 D HN 0.474 nan 8.370 nan 0.000 0.442 143 H N -0.038 119.079 119.070 0.078 0.000 3.079 143 H HA 0.693 5.249 4.556 0.001 0.000 0.356 143 H C -1.465 173.891 175.328 0.046 0.000 1.221 143 H CA -1.006 54.986 56.048 -0.094 0.000 1.185 143 H CB 0.881 30.462 29.762 -0.301 0.000 1.882 143 H HN 0.528 nan 8.280 nan 0.000 0.543 144 W N 2.069 123.337 121.300 -0.053 0.000 3.025 144 W HA 0.556 5.216 4.660 0.000 0.000 0.343 144 W C -1.897 174.628 176.519 0.010 0.000 1.246 144 W CA -0.754 56.588 57.345 -0.006 0.000 1.178 144 W CB 1.754 31.176 29.460 -0.063 0.000 1.463 144 W HN 0.746 nan 8.180 nan 0.000 0.578 145 N N 0.823 119.738 118.700 0.359 0.000 2.296 145 N HA 0.155 4.896 4.740 0.001 0.000 0.294 145 N C 0.978 176.629 175.510 0.235 0.000 1.033 145 N CA 0.229 53.324 53.050 0.075 0.000 0.839 145 N CB 2.624 41.159 38.487 0.079 0.000 1.395 145 N HN 0.496 nan 8.380 nan 0.000 0.479 146 T N 0.187 114.736 114.554 -0.008 0.000 2.881 146 T HA -0.111 4.239 4.350 0.001 0.000 0.270 146 T C 1.723 176.496 174.700 0.121 0.000 1.068 146 T CA 1.202 63.386 62.100 0.140 0.000 1.131 146 T CB -0.126 68.743 68.868 0.001 0.000 0.871 146 T HN 0.485 nan 8.240 nan 0.000 0.479 147 A N 2.026 124.880 122.820 0.057 0.000 2.070 147 A HA -0.067 4.253 4.320 0.001 0.000 0.220 147 A C 1.903 179.489 177.584 0.002 0.000 1.159 147 A CA 1.378 53.429 52.037 0.024 0.000 0.656 147 A CB -0.497 18.510 19.000 0.010 0.000 0.800 147 A HN 0.501 nan 8.150 nan 0.000 0.453 148 D N -0.396 120.005 120.400 0.002 0.000 2.328 148 D HA 0.167 4.807 4.640 0.001 0.000 0.226 148 D C 0.174 176.292 176.300 -0.303 0.000 1.066 148 D CA 0.178 54.066 54.000 -0.186 0.000 0.861 148 D CB 0.018 40.634 40.800 -0.305 0.000 0.912 148 D HN 0.395 nan 8.370 nan 0.000 0.521 149 L N 1.011 122.186 121.223 -0.081 0.000 2.350 149 L HA 0.154 4.494 4.340 0.001 0.000 0.275 149 L C 1.913 178.746 176.870 -0.061 0.000 1.099 149 L CA -0.307 54.505 54.840 -0.045 0.000 0.808 149 L CB 1.519 43.633 42.059 0.092 0.000 1.149 149 L HN -0.162 nan 8.230 nan 0.000 0.442 150 Q N 2.545 122.298 119.800 -0.078 0.000 1.965 150 Q HA -0.024 4.316 4.340 0.001 0.000 0.200 150 Q C 0.331 176.300 176.000 -0.051 0.000 0.981 150 Q CA 1.252 57.010 55.803 -0.076 0.000 0.834 150 Q CB 0.313 28.989 28.738 -0.102 0.000 0.900 150 Q HN 0.517 nan 8.270 nan 0.000 0.426 151 R N 2.048 122.519 120.500 -0.049 0.000 2.312 151 R HA 0.163 4.504 4.340 0.001 0.000 0.311 151 R C -0.425 175.886 176.300 0.018 0.000 1.004 151 R CA -0.452 55.634 56.100 -0.025 0.000 0.902 151 R CB 0.853 31.123 30.300 -0.049 0.000 1.073 151 R HN 0.417 nan 8.270 nan 0.000 0.457 152 N N 1.858 120.579 118.700 0.034 0.000 2.405 152 N HA 0.131 4.871 4.740 0.001 0.000 0.269 152 N C 0.754 176.319 175.510 0.093 0.000 1.249 152 N CA -0.183 52.905 53.050 0.062 0.000 0.974 152 N CB 0.357 38.873 38.487 0.048 0.000 1.204 152 N HN 0.439 nan 8.380 nan 0.000 0.565 153 A N 0.065 122.962 122.820 0.129 0.000 1.873 153 A HA -0.097 4.223 4.320 0.001 0.000 0.218 153 A C 2.211 179.879 177.584 0.139 0.000 1.193 153 A CA 2.824 54.970 52.037 0.182 0.000 0.629 153 A CB -1.674 17.509 19.000 0.306 0.000 0.826 153 A HN 0.920 nan 8.150 nan 0.000 0.447 154 A N -1.055 121.834 122.820 0.115 0.000 1.908 154 A HA -0.248 4.072 4.320 0.001 0.000 0.218 154 A C 2.136 179.751 177.584 0.052 0.000 1.181 154 A CA 1.837 53.920 52.037 0.077 0.000 0.627 154 A CB -0.602 18.438 19.000 0.066 0.000 0.818 154 A HN 0.681 nan 8.150 nan 0.000 0.445 155 Q N -0.661 119.172 119.800 0.055 0.000 2.119 155 Q HA -0.057 4.284 4.340 0.001 0.000 0.201 155 Q C 2.081 178.127 176.000 0.076 0.000 0.972 155 Q CA 1.347 57.177 55.803 0.045 0.000 0.847 155 Q CB -0.264 28.493 28.738 0.031 0.000 0.903 155 Q HN 0.700 nan 8.270 nan 0.000 0.433 156 L N -0.099 121.192 121.223 0.114 0.000 2.056 156 L HA -0.180 4.161 4.340 0.001 0.000 0.207 156 L C 2.305 179.275 176.870 0.166 0.000 1.078 156 L CA 0.416 55.397 54.840 0.236 0.000 0.749 156 L CB -0.411 41.801 42.059 0.256 0.000 0.901 156 L HN 0.261 nan 8.230 nan 0.000 0.433 157 L N -0.631 120.624 121.223 0.053 0.000 2.012 157 L HA -0.228 4.113 4.340 0.001 0.000 0.210 157 L C 2.716 179.508 176.870 -0.130 0.000 1.073 157 L CA 1.960 56.759 54.840 -0.068 0.000 0.748 157 L CB -0.700 41.330 42.059 -0.048 0.000 0.891 157 L HN 0.157 nan 8.230 nan 0.000 0.431 158 S N -1.033 114.624 115.700 -0.073 0.000 2.356 158 S HA -0.168 4.302 4.470 0.001 0.000 0.223 158 S C 2.123 176.674 174.600 -0.081 0.000 1.032 158 S CA 1.250 59.393 58.200 -0.095 0.000 1.005 158 S CB -0.468 62.702 63.200 -0.049 0.000 0.867 158 S HN 0.670 nan 8.310 nan 0.000 0.449 159 A N 0.993 123.822 122.820 0.015 0.000 1.902 159 A HA -0.005 4.316 4.320 0.001 0.000 0.217 159 A C 2.134 179.713 177.584 -0.008 0.000 1.181 159 A CA 1.623 53.727 52.037 0.112 0.000 0.623 159 A CB -0.794 18.375 19.000 0.283 0.000 0.818 159 A HN 0.538 nan 8.150 nan 0.000 0.443 160 L N 0.655 121.728 121.223 -0.251 0.000 2.044 160 L HA -0.071 4.269 4.340 0.001 0.000 0.205 160 L C 2.720 178.987 176.870 -1.005 0.000 1.075 160 L CA 2.658 56.911 54.840 -0.980 0.000 0.747 160 L CB -0.653 40.603 42.059 -1.338 0.000 0.903 160 L HN 0.481 nan 8.230 nan 0.000 0.435 161 S N -1.567 113.766 115.700 -0.612 0.000 2.474 161 S HA -0.182 4.288 4.470 0.001 0.000 0.235 161 S C 1.878 176.251 174.600 -0.379 0.000 0.997 161 S CA 0.857 58.764 58.200 -0.488 0.000 0.949 161 S CB -0.700 62.280 63.200 -0.368 0.000 0.766 161 S HN 0.582 nan 8.310 nan 0.000 0.517 162 E N 1.404 121.415 120.200 -0.315 0.000 2.209 162 E HA -0.161 4.189 4.350 0.001 0.000 0.196 162 E C 1.204 177.788 176.600 -0.027 0.000 0.993 162 E CA 1.455 57.782 56.400 -0.122 0.000 0.819 162 E CB -0.105 29.592 29.700 -0.004 0.000 0.745 162 E HN 0.901 nan 8.360 nan 0.000 0.477 163 F N -2.385 117.477 119.950 -0.146 0.000 2.876 163 F HA 0.549 5.077 4.527 0.000 0.000 0.344 163 F C 0.224 175.948 175.800 -0.126 0.000 1.029 163 F CA -0.277 57.656 58.000 -0.112 0.000 1.154 163 F CB 0.126 39.073 39.000 -0.089 0.000 1.040 163 F HN -0.002 nan 8.300 nan 0.000 0.576 164 A N 1.434 123.860 122.820 -0.657 0.000 2.340 164 A HA 0.608 4.928 4.320 0.001 0.000 0.297 164 A C -0.268 177.067 177.584 -0.416 0.000 1.195 164 A CA -0.444 51.305 52.037 -0.481 0.000 0.769 164 A CB 0.135 18.708 19.000 -0.710 0.000 1.163 164 A HN 0.143 nan 8.150 nan 0.000 0.472 165 T N 2.985 117.411 114.554 -0.214 0.000 2.888 165 T HA 0.390 4.740 4.350 0.001 0.000 0.301 165 T C -0.071 174.543 174.700 -0.143 0.000 1.001 165 T CA 0.825 62.828 62.100 -0.162 0.000 1.147 165 T CB -0.261 68.561 68.868 -0.077 0.000 0.931 165 T HN 0.399 nan 8.240 nan 0.000 0.541 166 L N 4.758 125.891 121.223 -0.149 0.000 2.334 166 L HA 0.498 4.839 4.340 0.001 0.000 0.276 166 L C 0.489 177.349 176.870 -0.017 0.000 1.014 166 L CA -0.739 54.057 54.840 -0.073 0.000 0.815 166 L CB 1.451 43.431 42.059 -0.132 0.000 1.268 166 L HN 0.517 nan 8.230 nan 0.000 0.428 167 N N 1.561 120.275 118.700 0.023 0.000 2.459 167 N HA 0.486 5.227 4.740 0.001 0.000 0.288 167 N C -2.646 172.880 175.510 0.027 0.000 1.186 167 N CA -1.779 51.286 53.050 0.024 0.000 0.917 167 N CB 1.082 39.585 38.487 0.026 0.000 1.219 167 N HN 0.213 nan 8.380 nan 0.000 0.525 168 P HA 0.053 nan 4.420 nan 0.000 0.262 168 P C 0.846 178.156 177.300 0.017 0.000 1.182 168 P CA 0.939 64.047 63.100 0.014 0.000 0.761 168 P CB 0.221 31.924 31.700 0.006 0.000 0.795 169 G N 2.217 111.026 108.800 0.015 0.000 2.258 169 G HA2 -0.202 3.758 3.960 0.001 0.000 0.233 169 G HA3 -0.202 3.758 3.960 0.001 0.000 0.233 169 G C 0.106 175.024 174.900 0.030 0.000 1.006 169 G CA -0.252 44.861 45.100 0.021 0.000 0.620 169 G HN 0.492 nan 8.290 nan 0.000 0.511 170 D N 1.321 121.747 120.400 0.044 0.000 2.390 170 D HA 0.553 5.193 4.640 0.001 0.000 0.236 170 D C 0.672 177.021 176.300 0.081 0.000 1.189 170 D CA 1.338 55.384 54.000 0.077 0.000 0.887 170 D CB 1.106 41.994 40.800 0.148 0.000 1.198 170 D HN 1.010 nan 8.370 nan 0.000 0.444 171 A N 1.248 124.137 122.820 0.115 0.000 2.454 171 A HA 0.727 5.048 4.320 0.001 0.000 0.302 171 A C -0.763 176.925 177.584 0.174 0.000 1.079 171 A CA -0.690 51.411 52.037 0.107 0.000 0.731 171 A CB 1.189 20.236 19.000 0.078 0.000 1.299 171 A HN 0.471 nan 8.150 nan 0.000 0.413 172 I N 2.131 122.784 120.570 0.139 0.000 2.418 172 I HA 0.287 4.457 4.170 0.001 0.000 0.287 172 I C -0.667 175.549 176.117 0.165 0.000 1.008 172 I CA -0.403 61.000 61.300 0.171 0.000 1.104 172 I CB 1.650 39.743 38.000 0.154 0.000 1.264 172 I HN 0.490 nan 8.210 nan 0.000 0.438 173 L N 6.129 127.437 121.223 0.142 0.000 2.380 173 L HA 0.282 4.622 4.340 0.001 0.000 0.273 173 L C 1.037 178.012 176.870 0.175 0.000 1.138 173 L CA -0.359 54.567 54.840 0.145 0.000 0.832 173 L CB 0.910 43.030 42.059 0.102 0.000 1.124 173 L HN 0.657 nan 8.230 nan 0.000 0.454 174 L N 2.431 123.782 121.223 0.213 0.000 2.509 174 L HA 0.284 4.624 4.340 0.001 0.000 0.222 174 L C 0.929 177.926 176.870 0.212 0.000 1.123 174 L CA 0.320 55.293 54.840 0.222 0.000 0.856 174 L CB -0.166 42.042 42.059 0.248 0.000 0.985 174 L HN 0.940 nan 8.230 nan 0.000 0.456 175 G N -0.094 108.836 108.800 0.216 0.000 2.351 175 G HA2 0.163 4.124 3.960 0.001 0.000 0.353 175 G HA3 0.163 4.124 3.960 0.001 0.000 0.353 175 G C -0.851 174.046 174.900 -0.004 0.000 1.358 175 G CA -0.331 44.838 45.100 0.115 0.000 0.995 175 G HN -0.013 nan 8.290 nan 0.000 0.611 176 T N -1.058 113.356 114.554 -0.233 0.000 2.894 176 T HA 0.849 5.199 4.350 0.001 0.000 0.309 176 T C -3.118 171.136 174.700 -0.742 0.000 1.208 176 T CA -1.295 60.461 62.100 -0.574 0.000 1.016 176 T CB 3.001 71.745 68.868 -0.207 0.000 1.192 176 T HN 0.652 nan 8.240 nan 0.000 0.491 177 P HA 0.250 nan 4.420 nan 0.000 0.276 177 P C 0.498 177.521 177.300 -0.461 0.000 1.261 177 P CA -0.374 62.063 63.100 -1.104 0.000 0.800 177 P CB 1.150 32.038 31.700 -1.353 0.000 1.066 178 Q N 1.380 121.017 119.800 -0.271 0.000 2.096 178 Q HA -0.077 4.263 4.340 0.001 0.000 0.204 178 Q C 0.448 176.407 176.000 -0.067 0.000 0.982 178 Q CA 1.475 57.242 55.803 -0.060 0.000 0.850 178 Q CB -0.960 27.790 28.738 0.021 0.000 0.901 178 Q HN 0.579 nan 8.270 nan 0.000 0.422 179 A N 0.578 123.321 122.820 -0.129 0.000 2.289 179 A HA 0.640 4.960 4.320 0.001 0.000 0.298 179 A C -0.681 176.842 177.584 -0.102 0.000 1.208 179 A CA -0.472 51.513 52.037 -0.087 0.000 0.845 179 A CB 0.550 19.505 19.000 -0.075 0.000 1.125 179 A HN 0.365 nan 8.150 nan 0.000 0.517 180 R N 0.507 120.976 120.500 -0.052 0.000 2.808 180 R HA 0.585 4.926 4.340 0.001 0.000 0.272 180 R C -0.956 175.340 176.300 -0.006 0.000 0.995 180 R CA -0.838 55.242 56.100 -0.034 0.000 0.917 180 R CB 2.318 32.601 30.300 -0.028 0.000 1.217 180 R HN 0.686 nan 8.270 nan 0.000 0.471 181 V N -1.239 118.680 119.914 0.010 0.000 2.481 181 V HA 0.427 4.547 4.120 0.001 0.000 0.286 181 V C 0.059 176.168 176.094 0.026 0.000 1.042 181 V CA -0.672 61.641 62.300 0.021 0.000 0.928 181 V CB 1.480 33.323 31.823 0.033 0.000 0.986 181 V HN 0.798 nan 8.190 nan 0.000 0.462 182 E N 4.147 124.367 120.200 0.034 0.000 2.331 182 E HA 0.555 4.905 4.350 0.001 0.000 0.272 182 E C -0.483 176.157 176.600 0.066 0.000 1.036 182 E CA -0.660 55.772 56.400 0.053 0.000 0.864 182 E CB 1.215 30.951 29.700 0.059 0.000 1.035 182 E HN 0.861 nan 8.360 nan 0.000 0.408 183 I N 0.060 120.692 120.570 0.105 0.000 2.846 183 I HA 0.615 4.786 4.170 0.001 0.000 0.307 183 I C -0.787 175.435 176.117 0.174 0.000 1.053 183 I CA -1.125 60.242 61.300 0.113 0.000 1.050 183 I CB 1.987 40.049 38.000 0.103 0.000 1.239 183 I HN 0.391 nan 8.210 nan 0.000 0.439 184 Q N 2.124 121.945 119.800 0.036 0.000 2.511 184 Q HA 0.584 4.924 4.340 0.001 0.000 0.289 184 Q C -2.841 172.993 176.000 -0.278 0.000 1.021 184 Q CA -1.823 53.845 55.803 -0.225 0.000 0.785 184 Q CB 2.636 31.259 28.738 -0.190 0.000 1.472 184 Q HN 0.410 nan 8.270 nan 0.000 0.411 185 P HA 0.099 nan 4.420 nan 0.000 0.264 185 P C 0.416 177.635 177.300 -0.134 0.000 1.179 185 P CA 1.741 64.677 63.100 -0.274 0.000 0.763 185 P CB 0.434 31.938 31.700 -0.326 0.000 0.806 186 G N 1.717 110.481 108.800 -0.060 0.000 2.284 186 G HA2 -0.213 3.747 3.960 0.001 0.000 0.247 186 G HA3 -0.213 3.747 3.960 0.001 0.000 0.247 186 G C 0.016 174.907 174.900 -0.015 0.000 1.012 186 G CA -0.113 44.968 45.100 -0.033 0.000 0.618 186 G HN 0.524 nan 8.290 nan 0.000 0.521 187 D N 1.054 121.445 120.400 -0.014 0.000 2.443 187 D HA 0.444 5.084 4.640 0.001 0.000 0.239 187 D C 0.952 177.264 176.300 0.020 0.000 1.136 187 D CA 0.339 54.342 54.000 0.006 0.000 0.879 187 D CB 0.414 41.222 40.800 0.014 0.000 1.195 187 D HN 0.432 nan 8.370 nan 0.000 0.443 188 R N 1.098 121.610 120.500 0.021 0.000 2.310 188 R HA 0.445 4.785 4.340 0.001 0.000 0.324 188 R C -0.926 175.393 176.300 0.031 0.000 0.955 188 R CA -0.754 55.362 56.100 0.027 0.000 0.830 188 R CB 1.437 31.750 30.300 0.022 0.000 1.154 188 R HN 0.111 nan 8.270 nan 0.000 0.458 189 V N 4.185 124.121 119.914 0.036 0.000 2.328 189 V HA 0.379 4.499 4.120 0.001 0.000 0.278 189 V C 0.114 176.233 176.094 0.042 0.000 1.021 189 V CA -0.671 61.653 62.300 0.039 0.000 0.838 189 V CB 1.223 33.069 31.823 0.038 0.000 0.999 189 V HN 0.612 nan 8.190 nan 0.000 0.447 190 R N 3.461 123.988 120.500 0.045 0.000 2.445 190 R HA 0.765 5.105 4.340 0.001 0.000 0.308 190 R C -1.372 174.962 176.300 0.056 0.000 0.961 190 R CA -0.408 55.719 56.100 0.046 0.000 0.862 190 R CB 1.928 32.252 30.300 0.040 0.000 1.144 190 R HN 0.548 nan 8.270 nan 0.000 0.447 191 V N 6.091 126.035 119.914 0.050 0.000 2.513 191 V HA 0.537 4.658 4.120 0.001 0.000 0.299 191 V C -0.840 175.277 176.094 0.039 0.000 1.035 191 V CA -0.751 61.576 62.300 0.044 0.000 0.889 191 V CB 1.632 33.468 31.823 0.021 0.000 0.988 191 V HN 0.586 nan 8.190 nan 0.000 0.440 192 L N 3.600 124.858 121.223 0.059 0.000 2.434 192 L HA 1.009 5.349 4.340 0.001 0.000 0.260 192 L C -0.263 176.662 176.870 0.092 0.000 0.983 192 L CA -0.391 54.495 54.840 0.077 0.000 0.820 192 L CB 2.176 44.284 42.059 0.081 0.000 1.361 192 L HN 0.832 nan 8.230 nan 0.000 0.410 193 A N 0.657 123.527 122.820 0.083 0.000 2.605 193 A HA 0.671 4.992 4.320 0.001 0.000 0.294 193 A C -1.264 176.464 177.584 0.240 0.000 1.062 193 A CA -0.616 51.483 52.037 0.105 0.000 0.682 193 A CB 1.426 20.328 19.000 -0.163 0.000 1.278 193 A HN 0.645 nan 8.150 nan 0.000 0.410 194 E N 0.389 120.711 120.200 0.204 0.000 2.480 194 E HA 0.393 4.743 4.350 0.001 0.000 0.258 194 E C 1.285 178.009 176.600 0.206 0.000 0.984 194 E CA 2.066 58.563 56.400 0.162 0.000 0.930 194 E CB 0.178 29.938 29.700 0.101 0.000 0.936 194 E HN 2.167 nan 8.360 nan 0.000 0.466 195 G N 3.194 112.058 108.800 0.106 0.000 2.195 195 G HA2 -0.267 3.694 3.960 0.001 0.000 0.246 195 G HA3 -0.267 3.694 3.960 0.001 0.000 0.246 195 G C -0.095 174.722 174.900 -0.138 0.000 0.984 195 G CA 0.077 45.156 45.100 -0.035 0.000 0.633 195 G HN 0.393 nan 8.290 nan 0.000 0.525 196 F N 1.933 121.893 119.950 0.017 0.000 2.522 196 F HA 0.626 5.154 4.527 0.001 0.000 0.324 196 F C -1.824 173.992 175.800 0.027 0.000 1.077 196 F CA -2.397 55.621 58.000 0.029 0.000 0.944 196 F CB 1.928 40.947 39.000 0.032 0.000 1.175 196 F HN -0.153 nan 8.300 nan 0.000 0.468 197 P HA 0.255 nan 4.420 nan 0.000 0.276 197 P C -2.713 174.675 177.300 0.147 0.000 1.230 197 P CA -1.427 61.754 63.100 0.136 0.000 0.776 197 P CB 0.183 31.942 31.700 0.098 0.000 0.888 198 P HA 0.093 nan 4.420 nan 0.000 0.267 198 P C -0.675 176.668 177.300 0.072 0.000 1.200 198 P CA -0.039 63.108 63.100 0.079 0.000 0.772 198 P CB 0.272 32.005 31.700 0.055 0.000 0.855 199 L N 2.346 123.605 121.223 0.060 0.000 2.305 199 L HA 0.503 4.843 4.340 0.001 0.000 0.284 199 L C -0.383 176.516 176.870 0.048 0.000 1.013 199 L CA -0.160 54.714 54.840 0.056 0.000 0.819 199 L CB 0.897 42.987 42.059 0.052 0.000 1.227 199 L HN 0.323 nan 8.230 nan 0.000 0.417 200 E N 4.276 124.503 120.200 0.046 0.000 2.275 200 E HA 0.484 4.834 4.350 0.001 0.000 0.270 200 E C -1.591 175.034 176.600 0.042 0.000 0.882 200 E CA -0.640 55.785 56.400 0.042 0.000 0.758 200 E CB 1.335 31.056 29.700 0.037 0.000 1.195 200 E HN 0.728 nan 8.360 nan 0.000 0.419 201 N N 4.742 123.467 118.700 0.042 0.000 2.260 201 N HA 0.379 5.119 4.740 0.001 0.000 0.293 201 N C -2.790 172.747 175.510 0.044 0.000 1.058 201 N CA -1.418 51.659 53.050 0.045 0.000 0.824 201 N CB 2.443 40.960 38.487 0.050 0.000 1.551 201 N HN 0.355 nan 8.380 nan 0.000 0.475 202 P HA 0.195 nan 4.420 nan 0.000 0.282 202 P C -0.481 176.855 177.300 0.060 0.000 1.249 202 P CA -0.324 62.802 63.100 0.044 0.000 0.806 202 P CB 1.307 33.029 31.700 0.037 0.000 0.984 203 V N 3.586 123.538 119.914 0.064 0.000 2.407 203 V HA 0.310 4.430 4.120 0.001 0.000 0.278 203 V C 0.379 176.522 176.094 0.083 0.000 1.037 203 V CA -0.400 61.960 62.300 0.101 0.000 0.900 203 V CB 1.550 33.440 31.823 0.113 0.000 0.983 203 V HN 0.298 nan 8.190 nan 0.000 0.459 204 V N 3.230 123.217 119.914 0.120 0.000 2.638 204 V HA 0.346 4.467 4.120 0.001 0.000 0.306 204 V C -0.200 175.980 176.094 0.144 0.000 1.052 204 V CA -0.902 61.453 62.300 0.092 0.000 0.885 204 V CB 2.075 33.944 31.823 0.077 0.000 0.999 204 V HN 0.878 nan 8.190 nan 0.000 0.424 205 D N 3.399 123.858 120.400 0.098 0.000 2.662 205 D HA -0.097 4.544 4.640 0.001 0.000 0.233 205 D C 1.539 177.920 176.300 0.135 0.000 1.129 205 D CA 0.781 54.860 54.000 0.131 0.000 0.851 205 D CB 0.983 41.819 40.800 0.060 0.000 1.152 205 D HN 0.890 nan 8.370 nan 0.000 0.507 206 E N 3.991 124.293 120.200 0.170 0.000 2.187 206 E HA -0.282 4.068 4.350 0.001 0.000 0.199 206 E C 1.308 177.949 176.600 0.069 0.000 1.004 206 E CA 0.987 57.453 56.400 0.110 0.000 0.813 206 E CB -0.113 29.641 29.700 0.090 0.000 0.736 206 E HN 0.478 nan 8.360 nan 0.000 0.468 207 R N 0.563 121.102 120.500 0.065 0.000 2.237 207 R HA -0.048 4.292 4.340 0.001 0.000 0.219 207 R C 1.687 178.008 176.300 0.034 0.000 1.080 207 R CA 1.455 57.580 56.100 0.041 0.000 0.995 207 R CB -0.030 30.292 30.300 0.037 0.000 0.875 207 R HN 0.402 nan 8.270 nan 0.000 0.462 208 E N 0.018 120.243 120.200 0.041 0.000 2.452 208 E HA 0.048 4.399 4.350 0.001 0.000 0.197 208 E C -0.306 176.314 176.600 0.033 0.000 1.022 208 E CA -0.059 56.361 56.400 0.032 0.000 0.890 208 E CB 0.737 30.456 29.700 0.031 0.000 0.918 208 E HN -0.022 nan 8.360 nan 0.000 0.496 209 V N 2.470 122.409 119.914 0.041 0.000 2.439 209 V HA -0.037 4.084 4.120 0.001 0.000 0.271 209 V C 1.169 177.276 176.094 0.023 0.000 1.040 209 V CA 0.269 62.591 62.300 0.036 0.000 1.002 209 V CB 0.557 32.410 31.823 0.049 0.000 1.000 209 V HN 0.235 nan 8.190 nan 0.000 0.477 210 T N 4.854 119.419 114.554 0.018 0.000 5.277 210 T HA -0.348 4.002 4.350 0.001 0.000 0.437 210 T C 1.620 176.322 174.700 0.003 0.000 0.936 210 T CA 2.222 64.327 62.100 0.008 0.000 0.977 210 T CB -0.368 68.504 68.868 0.006 0.000 0.939 210 T HN 0.922 nan 8.240 nan 0.000 0.352 211 T N 1.643 116.195 114.554 -0.004 0.000 3.054 211 T HA 0.252 4.602 4.350 0.001 0.000 0.259 211 T C 0.444 175.137 174.700 -0.012 0.000 1.092 211 T CA 0.796 62.891 62.100 -0.007 0.000 1.121 211 T CB -0.144 68.716 68.868 -0.013 0.000 0.912 211 T HN 0.620 nan 8.240 nan 0.000 0.489 212 R N 0.997 121.487 120.500 -0.016 0.000 1.002 212 R HA -0.089 4.251 4.340 0.001 0.000 0.430 212 R C -0.545 175.716 176.300 -0.064 0.000 1.355 212 R CA -0.156 55.931 56.100 -0.022 0.000 1.047 212 R CB -0.301 29.996 30.300 -0.005 0.000 3.187 212 R HN 0.243 nan 8.270 nan 0.000 0.514 213 K N 2.702 123.035 120.400 -0.112 0.000 2.453 213 K HA 0.110 4.430 4.320 0.001 0.000 0.280 213 K C -0.227 176.128 176.600 -0.407 0.000 1.045 213 K CA 0.583 56.696 56.287 -0.290 0.000 1.059 213 K CB 0.448 32.740 32.500 -0.347 0.000 0.901 213 K HN 0.497 nan 8.250 nan 0.000 0.475 214 S N 3.348 118.790 115.700 -0.431 0.000 2.621 214 S HA 0.631 5.101 4.470 0.001 0.000 0.302 214 S C -0.655 173.646 174.600 -0.498 0.000 1.093 214 S CA -0.936 57.076 58.200 -0.314 0.000 1.017 214 S CB 0.901 64.046 63.200 -0.092 0.000 1.077 214 S HN 0.397 nan 8.310 nan 0.000 0.517 215 F N 0.261 120.233 119.950 0.037 0.000 2.563 215 F HA 0.560 5.087 4.527 0.001 0.000 0.316 215 F C -2.319 173.511 175.800 0.051 0.000 1.076 215 F CA -2.120 55.910 58.000 0.050 0.000 0.921 215 F CB 0.815 39.855 39.000 0.068 0.000 1.209 215 F HN 0.381 nan 8.300 nan 0.000 0.462 216 P HA 0.107 nan 4.420 nan 0.000 0.264 216 P C -0.477 176.907 177.300 0.139 0.000 1.183 216 P CA -0.238 62.941 63.100 0.131 0.000 0.763 216 P CB 0.204 31.956 31.700 0.086 0.000 0.807 217 T N 1.219 115.828 114.554 0.091 0.000 2.884 217 T HA 0.523 4.873 4.350 0.001 0.000 0.298 217 T C 0.026 174.728 174.700 0.004 0.000 0.998 217 T CA -0.629 61.518 62.100 0.078 0.000 1.124 217 T CB 0.311 69.217 68.868 0.063 0.000 0.931 217 T HN 0.163 nan 8.240 nan 0.000 0.531 218 L N 2.631 123.842 121.223 -0.020 0.000 2.333 218 L HA 0.567 4.908 4.340 0.001 0.000 0.263 218 L C -2.196 174.680 176.870 0.010 0.000 1.014 218 L CA -2.825 51.955 54.840 -0.101 0.000 0.820 218 L CB 1.666 43.489 42.059 -0.393 0.000 1.352 218 L HN 0.470 nan 8.230 nan 0.000 0.421 219 P HA 0.007 nan 4.420 nan 0.000 0.266 219 P C -0.902 176.458 177.300 0.099 0.000 1.195 219 P CA -0.059 63.075 63.100 0.056 0.000 0.768 219 P CB 0.211 31.928 31.700 0.028 0.000 0.838 220 H N 3.840 122.935 119.070 0.043 0.000 2.897 220 H HA 0.170 4.726 4.556 0.001 0.000 0.347 220 H C -1.956 173.398 175.328 0.044 0.000 1.068 220 H CA -1.086 54.992 56.048 0.049 0.000 1.426 220 H CB -0.088 29.692 29.762 0.030 0.000 1.410 220 H HN 0.258 nan 8.280 nan 0.000 0.597 221 P HA 0.184 nan 4.420 nan 0.000 0.287 221 P C -1.416 175.842 177.300 -0.070 0.000 1.281 221 P CA -0.118 62.643 63.100 -0.565 0.000 0.781 221 P CB 0.648 32.024 31.700 -0.540 0.000 0.903 222 H N 1.132 120.166 119.070 -0.059 0.000 3.287 222 H HA 0.583 5.139 4.556 0.001 0.000 0.329 222 H C -0.549 174.755 175.328 -0.041 0.000 1.130 222 H CA -0.002 56.016 56.048 -0.051 0.000 1.593 222 H CB 0.505 30.246 29.762 -0.035 0.000 1.916 222 H HN 0.785 nan 8.280 nan 0.000 0.503 223 G N 1.588 110.117 108.800 -0.452 0.000 2.320 223 G HA2 0.205 4.165 3.960 0.001 0.000 0.297 223 G HA3 0.205 4.165 3.960 0.001 0.000 0.297 223 G C -1.094 173.613 174.900 -0.323 0.000 1.344 223 G CA -0.604 44.276 45.100 -0.368 0.000 0.851 223 G HN 0.459 nan 8.290 nan 0.000 0.567 224 T N 0.597 114.968 114.554 -0.304 0.000 2.928 224 T HA 0.352 4.702 4.350 0.001 0.000 0.305 224 T C -0.025 174.485 174.700 -0.317 0.000 1.035 224 T CA 0.362 62.232 62.100 -0.383 0.000 1.145 224 T CB 0.915 69.482 68.868 -0.502 0.000 0.963 224 T HN 0.693 nan 8.240 nan 0.000 0.545 225 L N 5.673 126.692 121.223 -0.341 0.000 2.283 225 L HA 0.503 4.843 4.340 0.001 0.000 0.281 225 L C -1.187 175.517 176.870 -0.277 0.000 1.033 225 L CA -0.675 54.047 54.840 -0.197 0.000 0.848 225 L CB -0.627 41.363 42.059 -0.115 0.000 1.226 225 L HN 0.467 nan 8.230 nan 0.000 0.429 226 F N 3.652 123.535 119.950 -0.111 0.000 2.375 226 F HA 0.724 5.252 4.527 0.001 0.000 0.333 226 F C 0.755 176.411 175.800 -0.240 0.000 1.104 226 F CA -0.107 57.801 58.000 -0.153 0.000 1.149 226 F CB 1.400 40.344 39.000 -0.093 0.000 1.190 226 F HN 0.595 nan 8.300 nan 0.000 0.533 227 A N 3.563 126.215 122.820 -0.280 0.000 2.449 227 A HA 0.731 5.051 4.320 0.001 0.000 0.302 227 A C -1.606 175.698 177.584 -0.468 0.000 1.048 227 A CA -0.700 51.024 52.037 -0.523 0.000 0.708 227 A CB 1.331 19.702 19.000 -1.048 0.000 1.274 227 A HN 0.612 nan 8.150 nan 0.000 0.410 228 L N 1.914 123.066 121.223 -0.119 0.000 2.322 228 L HA 0.632 4.972 4.340 0.001 0.000 0.279 228 L C 0.830 177.848 176.870 0.247 0.000 1.036 228 L CA 0.064 54.950 54.840 0.078 0.000 0.807 228 L CB 1.288 43.419 42.059 0.120 0.000 1.226 228 L HN 0.936 nan 8.230 nan 0.000 0.433 229 G N 2.530 111.523 108.800 0.321 0.000 2.389 229 G HA2 0.518 4.478 3.960 0.001 0.000 0.328 229 G HA3 0.518 4.478 3.960 0.001 0.000 0.328 229 G C -0.202 174.834 174.900 0.226 0.000 1.133 229 G CA -0.713 44.577 45.100 0.317 0.000 0.891 229 G HN 0.658 nan 8.290 nan 0.000 0.485 230 L N 0.392 121.734 121.223 0.198 0.000 3.760 230 L HA -0.229 4.111 4.340 0.001 0.000 0.604 230 L C 0.512 177.488 176.870 0.176 0.000 1.108 230 L CA 0.086 55.026 54.840 0.166 0.000 0.941 230 L CB -0.769 41.367 42.059 0.128 0.000 1.244 230 L HN 0.636 nan 8.230 nan 0.000 0.789 231 N N 0.345 119.173 118.700 0.214 0.000 2.377 231 N HA 0.234 4.975 4.740 0.001 0.000 0.259 231 N C -1.137 174.363 175.510 -0.017 0.000 1.332 231 N CA -0.171 52.955 53.050 0.126 0.000 0.877 231 N CB 0.507 39.093 38.487 0.164 0.000 1.299 231 N HN 0.389 nan 8.380 nan 0.000 0.501 232 Y N -0.282 120.003 120.300 -0.025 0.000 2.376 232 Y HA 0.554 5.105 4.550 0.001 0.000 0.340 232 Y C 1.030 176.870 175.900 -0.100 0.000 0.965 232 Y CA -0.778 57.283 58.100 -0.065 0.000 1.078 232 Y CB 1.918 40.346 38.460 -0.053 0.000 1.193 232 Y HN 0.053 nan 8.280 nan 0.000 0.452 233 A N 1.448 124.224 122.820 -0.074 0.000 1.898 233 A HA -0.092 4.229 4.320 0.001 0.000 0.216 233 A C 0.204 177.729 177.584 -0.100 0.000 1.181 233 A CA 1.111 53.092 52.037 -0.092 0.000 0.620 233 A CB -0.702 18.240 19.000 -0.096 0.000 0.819 233 A HN 0.926 nan 8.150 nan 0.000 0.442 234 D N 0.665 120.916 120.400 -0.248 0.000 5.175 234 D HA -0.151 4.489 4.640 0.001 0.000 0.188 234 D C 0.212 176.496 176.300 -0.026 0.000 1.098 234 D CA 1.128 55.021 54.000 -0.179 0.000 0.982 234 D CB -0.964 39.809 40.800 -0.045 0.000 1.103 234 D HN 0.724 nan 8.370 nan 0.000 0.615 245 E N 0.829 121.129 120.200 0.166 0.000 2.022 245 E HA 0.099 4.450 4.350 0.001 0.000 0.190 245 E C 0.809 177.537 176.600 0.213 0.000 0.973 245 E CA 1.694 58.188 56.400 0.155 0.000 0.816 245 E CB -0.515 29.245 29.700 0.100 0.000 0.781 245 E HN 0.755 nan 8.360 nan 0.000 0.456 246 E N 0.001 120.262 120.200 0.101 0.000 2.339 246 E HA 0.546 4.897 4.350 0.001 0.000 0.262 246 E C -2.734 173.627 176.600 -0.400 0.000 0.934 246 E CA -2.439 53.875 56.400 -0.142 0.000 0.802 246 E CB 1.995 31.666 29.700 -0.049 0.000 1.275 246 E HN 0.020 nan 8.360 nan 0.000 0.427 247 P HA 0.027 nan 4.420 nan 0.000 0.268 247 P C -0.866 176.286 177.300 -0.247 0.000 1.205 247 P CA -0.426 62.200 63.100 -0.790 0.000 0.771 247 P CB 0.312 31.387 31.700 -1.042 0.000 0.858 248 L N 5.271 126.473 121.223 -0.034 0.000 2.282 248 L HA 0.244 4.584 4.340 0.001 0.000 0.287 248 L C -0.811 176.153 176.870 0.158 0.000 1.075 248 L CA -0.158 54.736 54.840 0.091 0.000 0.839 248 L CB -0.030 42.112 42.059 0.139 0.000 1.219 248 L HN 0.041 nan 8.230 nan 0.000 0.434 249 V N 6.415 126.435 119.914 0.177 0.000 2.483 249 V HA 0.584 4.704 4.120 0.001 0.000 0.295 249 V C -0.162 176.108 176.094 0.293 0.000 1.035 249 V CA -0.512 61.911 62.300 0.205 0.000 0.896 249 V CB 1.323 33.305 31.823 0.265 0.000 0.986 249 V HN 0.630 nan 8.190 nan 0.000 0.447 250 F N 3.190 123.228 119.950 0.146 0.000 2.629 250 F HA 0.867 5.395 4.527 0.001 0.000 0.316 250 F C -1.274 174.580 175.800 0.090 0.000 1.081 250 F CA -1.383 56.678 58.000 0.102 0.000 0.954 250 F CB 1.421 40.469 39.000 0.079 0.000 1.337 250 F HN 0.231 nan 8.300 nan 0.000 0.474 251 L N 1.862 123.199 121.223 0.190 0.000 2.331 251 L HA 0.617 4.957 4.340 0.001 0.000 0.275 251 L C -0.738 176.206 176.870 0.123 0.000 1.022 251 L CA -1.015 53.816 54.840 -0.014 0.000 0.812 251 L CB 2.093 44.098 42.059 -0.090 0.000 1.257 251 L HN 0.670 nan 8.230 nan 0.000 0.435 252 K N 1.540 121.948 120.400 0.013 0.000 2.376 252 K HA 0.638 4.958 4.320 0.001 0.000 0.257 252 K C -0.631 175.972 176.600 0.005 0.000 0.939 252 K CA -0.559 55.782 56.287 0.089 0.000 0.809 252 K CB 2.261 34.819 32.500 0.097 0.000 1.121 252 K HN 0.674 nan 8.250 nan 0.000 0.425 253 A N 3.747 126.600 122.820 0.055 0.000 2.407 253 A HA 0.224 4.544 4.320 0.001 0.000 0.248 253 A C -1.466 176.122 177.584 0.006 0.000 1.082 253 A CA -1.070 50.964 52.037 -0.005 0.000 0.785 253 A CB -0.118 18.966 19.000 0.140 0.000 1.020 253 A HN 0.551 nan 8.150 nan 0.000 0.489 254 P HA -0.128 nan 4.420 nan 0.000 0.221 254 P C 0.586 177.894 177.300 0.013 0.000 1.145 254 P CA 1.092 64.173 63.100 -0.032 0.000 0.795 254 P CB 0.046 31.709 31.700 -0.062 0.000 0.775 255 N N -1.072 117.656 118.700 0.046 0.000 2.571 255 N HA -0.064 4.677 4.740 0.001 0.000 0.189 255 N C 1.640 177.183 175.510 0.056 0.000 1.154 255 N CA 0.826 53.904 53.050 0.046 0.000 0.907 255 N CB -0.972 37.540 38.487 0.041 0.000 0.977 255 N HN 0.129 nan 8.380 nan 0.000 0.449 256 T N -0.032 114.566 114.554 0.073 0.000 2.995 256 T HA 0.117 4.468 4.350 0.001 0.000 0.269 256 T C 0.713 175.458 174.700 0.074 0.000 1.091 256 T CA 0.116 62.270 62.100 0.090 0.000 1.128 256 T CB -0.019 68.920 68.868 0.119 0.000 0.891 256 T HN 0.073 nan 8.240 nan 0.000 0.492 257 L N 1.710 122.962 121.223 0.047 0.000 2.456 257 L HA 0.378 4.718 4.340 0.001 0.000 0.272 257 L C 0.485 177.375 176.870 0.034 0.000 1.189 257 L CA -0.050 54.809 54.840 0.033 0.000 0.846 257 L CB 0.988 43.045 42.059 -0.002 0.000 1.111 257 L HN 0.085 nan 8.230 nan 0.000 0.475 258 T N 1.290 115.868 114.554 0.040 0.000 2.841 258 T HA 0.606 4.956 4.350 0.001 0.000 0.296 258 T C -0.000 174.719 174.700 0.031 0.000 1.166 258 T CA -0.063 62.059 62.100 0.036 0.000 1.007 258 T CB 1.632 70.531 68.868 0.052 0.000 1.253 258 T HN 0.699 nan 8.240 nan 0.000 0.511 259 G N 0.594 109.410 108.800 0.026 0.000 2.508 259 G HA2 0.428 4.389 3.960 0.001 0.000 0.278 259 G HA3 0.428 4.389 3.960 0.001 0.000 0.278 259 G C -0.527 174.396 174.900 0.038 0.000 1.389 259 G CA -0.304 44.812 45.100 0.025 0.000 1.050 259 G HN 0.721 nan 8.290 nan 0.000 0.522 260 D N -1.189 119.233 120.400 0.036 0.000 2.341 260 D HA 0.103 4.744 4.640 0.001 0.000 0.245 260 D C 0.780 177.101 176.300 0.035 0.000 1.106 260 D CA 0.173 54.197 54.000 0.039 0.000 0.905 260 D CB 0.485 41.306 40.800 0.036 0.000 1.202 260 D HN 0.387 nan 8.370 nan 0.000 0.426 261 N N 1.428 120.151 118.700 0.038 0.000 2.738 261 N HA -0.192 4.548 4.740 0.001 0.000 0.249 261 N C -0.968 174.562 175.510 0.033 0.000 1.047 261 N CA 0.709 53.779 53.050 0.034 0.000 0.707 261 N CB -0.414 38.088 38.487 0.024 0.000 0.937 261 N HN 0.396 nan 8.380 nan 0.000 0.545 262 Q N -1.054 118.771 119.800 0.042 0.000 2.990 262 Q HA 0.602 4.942 4.340 0.001 0.000 0.255 262 Q C 0.542 176.568 176.000 0.043 0.000 1.040 262 Q CA -0.100 55.726 55.803 0.038 0.000 0.897 262 Q CB 0.362 29.123 28.738 0.040 0.000 1.429 262 Q HN 0.478 nan 8.270 nan 0.000 0.497 263 T N -2.427 112.147 114.554 0.035 0.000 2.932 263 T HA 0.769 5.119 4.350 0.001 0.000 0.289 263 T C -0.390 174.322 174.700 0.020 0.000 1.039 263 T CA -0.670 61.444 62.100 0.025 0.000 1.024 263 T CB 1.380 70.253 68.868 0.009 0.000 1.090 263 T HN 0.280 nan 8.240 nan 0.000 0.496 264 S N 0.861 116.551 115.700 -0.017 0.000 2.557 264 S HA 0.539 5.009 4.470 0.001 0.000 0.291 264 S C -0.486 174.039 174.600 -0.125 0.000 1.116 264 S CA -0.758 57.399 58.200 -0.073 0.000 0.992 264 S CB 1.601 64.701 63.200 -0.168 0.000 1.028 264 S HN 0.742 nan 8.310 nan 0.000 0.484 265 V N 3.942 123.800 119.914 -0.093 0.000 2.488 265 V HA 0.317 4.438 4.120 0.001 0.000 0.277 265 V C 0.711 176.735 176.094 -0.117 0.000 1.046 265 V CA -0.342 61.911 62.300 -0.079 0.000 0.986 265 V CB 0.716 32.520 31.823 -0.031 0.000 0.989 265 V HN 0.716 nan 8.190 nan 0.000 0.475 266 R N 6.780 127.209 120.500 -0.118 0.000 2.267 266 R HA 0.301 4.641 4.340 0.001 0.000 0.319 266 R C -2.461 173.803 176.300 -0.060 0.000 1.067 266 R CA -1.605 54.424 56.100 -0.118 0.000 0.936 266 R CB 0.992 31.221 30.300 -0.119 0.000 1.006 266 R HN 0.436 nan 8.270 nan 0.000 0.452 267 P HA -0.029 nan 4.420 nan 0.000 0.266 267 P C -0.911 176.394 177.300 0.008 0.000 1.195 267 P CA 0.130 63.243 63.100 0.022 0.000 0.768 267 P CB 0.422 32.181 31.700 0.100 0.000 0.838 268 N N 2.314 121.029 118.700 0.024 0.000 2.407 268 N HA -0.058 4.682 4.740 0.001 0.000 0.250 268 N C 0.035 175.561 175.510 0.026 0.000 1.236 268 N CA 0.242 53.303 53.050 0.018 0.000 0.879 268 N CB -0.557 37.944 38.487 0.023 0.000 1.088 268 N HN 0.429 nan 8.380 nan 0.000 0.450 269 N N -0.675 118.033 118.700 0.013 0.000 2.776 269 N HA -0.182 4.558 4.740 0.001 0.000 0.249 269 N C -1.146 174.371 175.510 0.012 0.000 1.111 269 N CA 0.243 53.304 53.050 0.018 0.000 0.711 269 N CB -1.399 37.108 38.487 0.034 0.000 1.065 269 N HN 0.483 nan 8.380 nan 0.000 0.556 270 I N -3.982 116.576 120.570 -0.021 0.000 2.797 270 I HA 0.437 4.608 4.170 0.001 0.000 0.307 270 I C 1.241 177.335 176.117 -0.038 0.000 1.033 270 I CA -0.912 60.353 61.300 -0.059 0.000 1.071 270 I CB 1.927 39.823 38.000 -0.172 0.000 1.255 270 I HN -0.041 nan 8.210 nan 0.000 0.445 271 E N 2.129 122.317 120.200 -0.020 0.000 2.060 271 E HA -0.032 4.318 4.350 0.001 0.000 0.189 271 E C -0.686 175.977 176.600 0.106 0.000 0.974 271 E CA 0.707 57.129 56.400 0.036 0.000 0.808 271 E CB 0.323 30.046 29.700 0.039 0.000 0.768 271 E HN 0.656 nan 8.360 nan 0.000 0.453 272 Y N 0.538 120.782 120.300 -0.092 0.000 2.315 272 Y HA 0.350 4.900 4.550 0.001 0.000 0.324 272 Y C -1.274 174.565 175.900 -0.102 0.000 1.062 272 Y CA -0.811 57.250 58.100 -0.066 0.000 1.159 272 Y CB 1.282 39.724 38.460 -0.030 0.000 1.145 272 Y HN -0.049 nan 8.280 nan 0.000 0.442 273 M N 7.658 127.023 119.600 -0.392 0.000 2.311 273 M HA 0.458 4.938 4.480 0.001 0.000 0.325 273 M C -1.662 174.341 176.300 -0.494 0.000 1.061 273 M CA -0.379 54.681 55.300 -0.400 0.000 0.957 273 M CB 1.104 33.527 32.600 -0.295 0.000 1.646 273 M HN 0.821 nan 8.290 nan 0.000 0.434 274 H N 2.954 121.801 119.070 -0.371 0.000 2.806 274 H HA 0.358 4.914 4.556 0.001 0.000 0.367 274 H C -1.758 173.523 175.328 -0.078 0.000 1.136 274 H CA -0.917 54.867 56.048 -0.439 0.000 1.178 274 H CB 0.561 29.939 29.762 -0.640 0.000 1.718 274 H HN 0.750 nan 8.280 nan 0.000 0.540 275 Y N 0.370 120.838 120.300 0.279 0.000 2.459 275 Y HA 0.389 4.939 4.550 0.000 0.000 0.349 275 Y C -0.381 175.531 175.900 0.020 0.000 1.266 275 Y CA -0.696 57.377 58.100 -0.045 0.000 1.483 275 Y CB 0.525 38.954 38.460 -0.051 0.000 1.362 275 Y HN 0.659 nan 8.280 nan 0.000 0.628 276 E N 0.940 121.214 120.200 0.123 0.000 2.432 276 E HA 0.497 4.847 4.350 0.001 0.000 0.272 276 E C -1.273 175.348 176.600 0.035 0.000 0.937 276 E CA -0.729 55.756 56.400 0.142 0.000 0.812 276 E CB 1.499 31.275 29.700 0.126 0.000 1.377 276 E HN 0.902 nan 8.360 nan 0.000 0.399 277 A N 3.648 126.481 122.820 0.021 0.000 2.488 277 A HA 0.249 4.569 4.320 0.001 0.000 0.249 277 A C -0.004 177.557 177.584 -0.038 0.000 1.083 277 A CA 0.336 52.345 52.037 -0.048 0.000 0.768 277 A CB 0.382 19.324 19.000 -0.097 0.000 1.017 277 A HN 0.552 nan 8.150 nan 0.000 0.496 278 E N 1.301 121.499 120.200 -0.003 0.000 2.331 278 E HA 0.348 4.699 4.350 0.001 0.000 0.275 278 E C -1.560 175.076 176.600 0.060 0.000 0.895 278 E CA -1.009 55.417 56.400 0.044 0.000 0.753 278 E CB 2.047 31.788 29.700 0.069 0.000 1.216 278 E HN 0.536 nan 8.360 nan 0.000 0.434 279 L N 2.350 123.625 121.223 0.087 0.000 2.319 279 L HA 0.250 4.590 4.340 0.001 0.000 0.280 279 L C -1.110 175.821 176.870 0.103 0.000 1.099 279 L CA -0.176 54.711 54.840 0.078 0.000 0.828 279 L CB 1.034 43.120 42.059 0.045 0.000 1.150 279 L HN 0.306 nan 8.230 nan 0.000 0.442 280 V N 6.073 126.055 119.914 0.113 0.000 2.459 280 V HA 0.447 4.567 4.120 0.001 0.000 0.295 280 V C -0.225 175.947 176.094 0.130 0.000 1.029 280 V CA -0.730 61.637 62.300 0.112 0.000 0.874 280 V CB 1.772 33.657 31.823 0.104 0.000 0.985 280 V HN 0.555 nan 8.190 nan 0.000 0.438 281 V N 5.551 125.530 119.914 0.108 0.000 2.439 281 V HA 0.472 4.592 4.120 0.001 0.000 0.282 281 V C -0.116 175.963 176.094 -0.025 0.000 1.039 281 V CA -0.509 61.819 62.300 0.047 0.000 0.913 281 V CB 1.799 33.667 31.823 0.074 0.000 0.983 281 V HN 0.606 nan 8.190 nan 0.000 0.460 282 V N 5.543 125.381 119.914 -0.127 0.000 2.409 282 V HA 0.429 4.549 4.120 0.001 0.000 0.291 282 V C 0.010 176.047 176.094 -0.096 0.000 1.020 282 V CA -0.660 61.579 62.300 -0.102 0.000 0.848 282 V CB 1.687 33.400 31.823 -0.185 0.000 0.990 282 V HN 0.581 nan 8.190 nan 0.000 0.430 283 I N 3.875 124.427 120.570 -0.029 0.000 2.588 283 I HA 0.227 4.397 4.170 0.001 0.000 0.283 283 I C 1.382 177.496 176.117 -0.005 0.000 1.119 283 I CA 0.646 61.942 61.300 -0.006 0.000 1.419 283 I CB 0.979 38.994 38.000 0.026 0.000 1.394 283 I HN 0.783 nan 8.210 nan 0.000 0.562 284 G N 5.925 114.721 108.800 -0.007 0.000 2.848 284 G HA2 0.052 4.013 3.960 0.001 0.000 0.213 284 G HA3 0.052 4.013 3.960 0.001 0.000 0.213 284 G C 0.551 175.458 174.900 0.012 0.000 1.101 284 G CA -0.020 45.073 45.100 -0.012 0.000 0.778 284 G HN 0.531 nan 8.290 nan 0.000 0.536 285 K N 0.741 121.174 120.400 0.054 0.000 2.468 285 K HA 0.312 4.632 4.320 0.001 0.000 0.252 285 K C -0.837 175.896 176.600 0.222 0.000 0.932 285 K CA -0.705 55.637 56.287 0.091 0.000 0.794 285 K CB 1.898 34.380 32.500 -0.030 0.000 1.241 285 K HN 0.048 nan 8.250 nan 0.000 0.428 286 Q N 2.254 122.155 119.800 0.168 0.000 2.263 286 Q HA 0.180 4.521 4.340 0.001 0.000 0.289 286 Q C -1.363 174.724 176.000 0.145 0.000 1.061 286 Q CA 0.187 56.073 55.803 0.138 0.000 0.927 286 Q CB 0.629 29.428 28.738 0.100 0.000 1.154 286 Q HN 0.565 nan 8.270 nan 0.000 0.378 287 A N 4.761 127.571 122.820 -0.017 0.000 2.343 287 A HA 0.726 5.046 4.320 0.001 0.000 0.308 287 A C -1.123 176.311 177.584 -0.250 0.000 1.092 287 A CA -0.710 51.162 52.037 -0.275 0.000 0.751 287 A CB 1.580 20.284 19.000 -0.493 0.000 1.203 287 A HN 0.749 nan 8.150 nan 0.000 0.452 288 R N 2.299 122.642 120.500 -0.261 0.000 2.522 288 R HA 0.466 4.806 4.340 0.001 0.000 0.283 288 R C -0.708 175.462 176.300 -0.217 0.000 1.074 288 R CA -0.205 55.765 56.100 -0.216 0.000 0.925 288 R CB 0.551 30.771 30.300 -0.133 0.000 1.205 288 R HN 0.741 nan 8.270 nan 0.000 0.436 289 N N 1.516 120.084 118.700 -0.220 0.000 2.725 289 N HA -0.153 4.588 4.740 0.001 0.000 0.251 289 N C -1.059 174.337 175.510 -0.190 0.000 1.031 289 N CA 1.100 54.042 53.050 -0.180 0.000 0.720 289 N CB -1.002 37.413 38.487 -0.120 0.000 0.930 289 N HN 0.280 nan 8.380 nan 0.000 0.543 290 V N 0.578 120.330 119.914 -0.270 0.000 2.509 290 V HA 0.355 4.476 4.120 0.001 0.000 0.284 290 V C 1.116 177.100 176.094 -0.183 0.000 1.047 290 V CA -0.655 61.478 62.300 -0.279 0.000 0.952 290 V CB 1.819 33.310 31.823 -0.553 0.000 0.988 290 V HN 0.469 nan 8.190 nan 0.000 0.469 291 S N 2.494 118.132 115.700 -0.104 0.000 2.614 291 S HA 0.207 4.678 4.470 0.001 0.000 0.265 291 S C 1.031 175.600 174.600 -0.052 0.000 1.303 291 S CA 0.006 58.164 58.200 -0.070 0.000 1.000 291 S CB 1.118 64.302 63.200 -0.027 0.000 0.935 291 S HN 0.830 nan 8.310 nan 0.000 0.551 292 E N 1.196 121.372 120.200 -0.040 0.000 2.058 292 E HA -0.169 4.181 4.350 0.001 0.000 0.194 292 E C 2.173 178.793 176.600 0.034 0.000 0.997 292 E CA 1.254 57.653 56.400 -0.002 0.000 0.801 292 E CB -0.657 29.061 29.700 0.029 0.000 0.746 292 E HN 0.852 nan 8.360 nan 0.000 0.450 293 A N 0.917 123.756 122.820 0.032 0.000 1.986 293 A HA -0.205 4.115 4.320 0.001 0.000 0.220 293 A C 1.576 179.195 177.584 0.058 0.000 1.171 293 A CA 1.956 54.018 52.037 0.042 0.000 0.640 293 A CB -0.275 18.744 19.000 0.032 0.000 0.811 293 A HN 0.290 nan 8.150 nan 0.000 0.451 294 D N -1.016 119.426 120.400 0.070 0.000 2.360 294 D HA 0.308 4.949 4.640 0.001 0.000 0.210 294 D C 1.926 178.347 176.300 0.202 0.000 1.047 294 D CA 0.784 54.860 54.000 0.126 0.000 0.854 294 D CB 0.028 40.926 40.800 0.163 0.000 0.936 294 D HN 0.402 nan 8.370 nan 0.000 0.514 295 A N 1.149 124.050 122.820 0.135 0.000 1.940 295 A HA -0.174 4.147 4.320 0.001 0.000 0.219 295 A C 2.031 179.744 177.584 0.214 0.000 1.176 295 A CA 1.086 53.210 52.037 0.144 0.000 0.631 295 A CB -0.334 18.700 19.000 0.057 0.000 0.814 295 A HN 0.086 nan 8.150 nan 0.000 0.446 296 M N 0.258 119.949 119.600 0.151 0.000 2.358 296 M HA -0.109 4.371 4.480 0.001 0.000 0.264 296 M C 0.807 177.150 176.300 0.071 0.000 1.064 296 M CA 0.990 56.361 55.300 0.118 0.000 1.093 296 M CB -1.463 31.203 32.600 0.110 0.000 1.401 296 M HN 0.320 nan 8.290 nan 0.000 0.440 297 D N -0.656 119.777 120.400 0.055 0.000 2.310 297 D HA -0.129 4.511 4.640 0.001 0.000 0.212 297 D C 1.273 177.379 176.300 -0.324 0.000 0.965 297 D CA 1.081 54.994 54.000 -0.145 0.000 0.879 297 D CB -0.264 40.380 40.800 -0.259 0.000 0.921 297 D HN 0.433 nan 8.370 nan 0.000 0.510 298 Y N -0.220 120.061 120.300 -0.032 0.000 2.458 298 Y HA 0.189 4.739 4.550 0.000 0.000 0.256 298 Y C 0.635 176.497 175.900 -0.062 0.000 1.159 298 Y CA -0.270 57.804 58.100 -0.043 0.000 1.261 298 Y CB 0.478 38.910 38.460 -0.047 0.000 1.119 298 Y HN -0.280 nan 8.280 nan 0.000 0.524 299 V N 0.684 120.608 119.914 0.017 0.000 2.498 299 V HA 0.264 4.384 4.120 0.001 0.000 0.279 299 V C 0.984 176.996 176.094 -0.137 0.000 1.048 299 V CA 0.217 62.467 62.300 -0.084 0.000 0.967 299 V CB 1.117 32.863 31.823 -0.128 0.000 0.988 299 V HN 0.376 nan 8.190 nan 0.000 0.473 300 A N 3.747 126.471 122.820 -0.160 0.000 1.903 300 A HA 0.607 4.927 4.320 0.001 0.000 0.213 300 A C 1.148 178.584 177.584 -0.247 0.000 1.185 300 A CA 1.202 53.143 52.037 -0.160 0.000 0.628 300 A CB -0.160 18.767 19.000 -0.121 0.000 0.830 300 A HN 1.319 nan 8.150 nan 0.000 0.446 301 G N -2.910 105.647 108.800 -0.406 0.000 2.360 301 G HA2 0.432 4.392 3.960 0.001 0.000 0.276 301 G HA3 0.432 4.392 3.960 0.001 0.000 0.276 301 G C -1.668 172.781 174.900 -0.752 0.000 1.256 301 G CA -0.518 44.215 45.100 -0.611 0.000 0.890 301 G HN 0.209 nan 8.290 nan 0.000 0.486 302 Y N -0.814 119.445 120.300 -0.068 0.000 2.536 302 Y HA 0.843 5.393 4.550 0.000 0.000 0.347 302 Y C 0.681 176.541 175.900 -0.067 0.000 1.000 302 Y CA -0.246 57.818 58.100 -0.060 0.000 1.051 302 Y CB 2.568 41.002 38.460 -0.043 0.000 1.259 302 Y HN 0.807 nan 8.280 nan 0.000 0.468 303 T N 0.091 114.711 114.554 0.111 0.000 2.626 303 T HA 0.692 5.042 4.350 0.001 0.000 0.299 303 T C -2.090 172.665 174.700 0.092 0.000 1.181 303 T CA -0.567 61.577 62.100 0.073 0.000 1.053 303 T CB 1.339 70.222 68.868 0.025 0.000 1.566 303 T HN 0.549 nan 8.240 nan 0.000 0.486 304 V N 1.702 121.669 119.914 0.088 0.000 2.709 304 V HA 0.810 4.931 4.120 0.001 0.000 0.308 304 V C -0.438 175.696 176.094 0.067 0.000 1.062 304 V CA -0.351 61.989 62.300 0.068 0.000 0.901 304 V CB 0.630 32.482 31.823 0.048 0.000 1.003 304 V HN 1.318 nan 8.190 nan 0.000 0.425 305 C N 4.056 123.385 119.300 0.048 0.000 3.044 305 C HA 0.753 5.213 4.460 0.001 0.000 0.315 305 C C -0.640 174.340 174.990 -0.017 0.000 1.320 305 C CA -0.790 58.246 59.018 0.029 0.000 1.582 305 C CB 1.770 29.537 27.740 0.044 0.000 2.039 305 C HN 0.884 nan 8.230 nan 0.000 0.466 306 N N 1.163 119.826 118.700 -0.063 0.000 2.518 306 N HA 0.271 5.011 4.740 0.001 0.000 0.254 306 N C -1.440 173.940 175.510 -0.218 0.000 0.979 306 N CA 0.122 53.055 53.050 -0.195 0.000 0.930 306 N CB 1.095 39.392 38.487 -0.316 0.000 1.152 306 N HN 0.899 nan 8.380 nan 0.000 0.505 307 D N 3.489 123.821 120.400 -0.115 0.000 2.563 307 D HA 0.090 4.730 4.640 0.001 0.000 0.222 307 D C -0.416 175.888 176.300 0.007 0.000 1.145 307 D CA -0.172 53.830 54.000 0.003 0.000 1.001 307 D CB -0.462 40.394 40.800 0.094 0.000 1.049 307 D HN 0.317 nan 8.370 nan 0.000 0.515 308 Y N 1.171 121.494 120.300 0.038 0.000 2.683 308 Y HA 0.297 4.848 4.550 0.001 0.000 0.340 308 Y C 0.947 176.760 175.900 -0.145 0.000 1.245 308 Y CA -0.098 57.963 58.100 -0.064 0.000 1.485 308 Y CB 0.708 39.136 38.460 -0.052 0.000 1.328 308 Y HN 0.332 nan 8.280 nan 0.000 0.603 309 A N 3.584 126.284 122.820 -0.200 0.000 2.393 309 A HA 0.702 5.022 4.320 0.001 0.000 0.306 309 A C -1.486 175.887 177.584 -0.353 0.000 1.050 309 A CA -0.723 51.130 52.037 -0.308 0.000 0.724 309 A CB 0.875 19.615 19.000 -0.434 0.000 1.248 309 A HN 0.489 nan 8.150 nan 0.000 0.424 310 I N 2.925 123.361 120.570 -0.222 0.000 2.306 310 I HA 0.295 4.465 4.170 0.001 0.000 0.288 310 I C 1.500 177.496 176.117 -0.202 0.000 1.036 310 I CA -0.075 61.060 61.300 -0.275 0.000 1.221 310 I CB 0.752 38.518 38.000 -0.390 0.000 1.385 310 I HN 1.032 nan 8.210 nan 0.000 0.472 311 R N 3.548 124.001 120.500 -0.079 0.000 2.120 311 R HA -0.164 4.176 4.340 0.001 0.000 0.234 311 R C 0.872 177.153 176.300 -0.032 0.000 1.123 311 R CA 1.742 57.861 56.100 0.031 0.000 0.975 311 R CB 0.315 30.738 30.300 0.204 0.000 0.866 311 R HN 0.520 nan 8.270 nan 0.000 0.446 312 D N -0.589 119.728 120.400 -0.138 0.000 2.182 312 D HA -0.186 4.454 4.640 0.001 0.000 0.201 312 D C 0.828 177.153 176.300 0.041 0.000 0.986 312 D CA 1.188 55.122 54.000 -0.110 0.000 0.847 312 D CB -0.125 40.527 40.800 -0.245 0.000 0.942 312 D HN 0.359 nan 8.370 nan 0.000 0.467 313 Y N 0.233 120.519 120.300 -0.023 0.000 2.466 313 Y HA 0.286 4.836 4.550 0.001 0.000 0.272 313 Y C 0.598 176.477 175.900 -0.036 0.000 1.169 313 Y CA -0.792 57.282 58.100 -0.044 0.000 1.285 313 Y CB -0.976 37.426 38.460 -0.096 0.000 1.078 313 Y HN -0.079 nan 8.280 nan 0.000 0.523 314 L N 1.215 122.503 121.223 0.108 0.000 2.490 314 L HA 0.027 4.367 4.340 0.001 0.000 0.274 314 L C 0.497 177.414 176.870 0.079 0.000 1.201 314 L CA 0.910 55.789 54.840 0.064 0.000 0.869 314 L CB 0.402 42.484 42.059 0.037 0.000 1.123 314 L HN 0.207 nan 8.230 nan 0.000 0.484 315 E N 1.466 121.712 120.200 0.078 0.000 2.440 315 E HA 0.300 4.651 4.350 0.001 0.000 0.263 315 E C -0.620 176.030 176.600 0.083 0.000 0.938 315 E CA -0.924 55.543 56.400 0.111 0.000 0.831 315 E CB 1.187 30.985 29.700 0.163 0.000 1.456 315 E HN 0.466 nan 8.360 nan 0.000 0.427 316 N N 0.632 119.364 118.700 0.053 0.000 2.376 316 N HA 0.149 4.890 4.740 0.001 0.000 0.249 316 N C -1.389 173.875 175.510 -0.410 0.000 1.140 316 N CA 0.207 53.210 53.050 -0.077 0.000 0.870 316 N CB 0.217 38.694 38.487 -0.015 0.000 1.124 316 N HN 0.289 nan 8.380 nan 0.000 0.505 317 Y N -0.339 119.997 120.300 0.060 0.000 2.326 317 Y HA 0.227 4.778 4.550 0.001 0.000 0.329 317 Y C -0.214 175.736 175.900 0.083 0.000 0.973 317 Y CA -0.963 57.135 58.100 -0.003 0.000 1.162 317 Y CB 0.674 39.011 38.460 -0.205 0.000 1.147 317 Y HN 0.053 nan 8.280 nan 0.000 0.456 318 Y N 0.819 121.192 120.300 0.122 0.000 3.078 318 Y HA -0.275 4.275 4.550 0.001 0.000 0.202 318 Y C 0.732 176.613 175.900 -0.032 0.000 1.322 318 Y CA -0.081 58.059 58.100 0.066 0.000 1.118 318 Y CB -1.035 37.530 38.460 0.174 0.000 1.343 318 Y HN 0.607 nan 8.280 nan 0.000 0.499 319 R N 2.418 122.889 120.500 -0.049 0.000 2.340 319 R HA 0.317 4.657 4.340 0.001 0.000 0.300 319 R C -2.360 173.805 176.300 -0.225 0.000 1.069 319 R CA -1.423 54.573 56.100 -0.173 0.000 0.984 319 R CB 0.788 30.883 30.300 -0.342 0.000 1.003 319 R HN -0.005 nan 8.270 nan 0.000 0.459 320 P HA 0.165 nan 4.420 nan 0.000 0.290 320 P C -1.280 175.864 177.300 -0.260 0.000 1.276 320 P CA -0.518 62.387 63.100 -0.325 0.000 0.808 320 P CB 1.221 32.632 31.700 -0.482 0.000 0.966 321 N N 1.522 120.181 118.700 -0.068 0.000 2.413 321 N HA 0.200 4.941 4.740 0.001 0.000 0.266 321 N C 1.441 177.007 175.510 0.092 0.000 1.238 321 N CA -0.558 52.542 53.050 0.083 0.000 0.972 321 N CB 0.295 38.886 38.487 0.173 0.000 1.210 321 N HN 0.248 nan 8.380 nan 0.000 0.547 322 L N 0.354 121.718 121.223 0.236 0.000 2.131 322 L HA -0.063 4.278 4.340 0.001 0.000 0.210 322 L C 2.191 179.050 176.870 -0.019 0.000 1.092 322 L CA 0.986 55.972 54.840 0.244 0.000 0.759 322 L CB -0.237 42.068 42.059 0.410 0.000 0.903 322 L HN 0.589 nan 8.230 nan 0.000 0.435 323 R N -0.517 119.799 120.500 -0.306 0.000 2.237 323 R HA -0.088 4.252 4.340 0.001 0.000 0.219 323 R C 1.866 177.946 176.300 -0.367 0.000 1.080 323 R CA 0.636 56.137 56.100 -0.998 0.000 0.995 323 R CB 0.181 29.983 30.300 -0.830 0.000 0.875 323 R HN 0.185 nan 8.270 nan 0.000 0.462 324 V N -0.044 119.800 119.914 -0.116 0.000 2.575 324 V HA -0.016 4.104 4.120 0.001 0.000 0.242 324 V C 1.696 177.788 176.094 -0.002 0.000 1.045 324 V CA 1.252 63.537 62.300 -0.024 0.000 1.065 324 V CB 0.053 31.857 31.823 -0.032 0.000 0.717 324 V HN 0.124 nan 8.190 nan 0.000 0.467 325 K N -0.622 119.796 120.400 0.029 0.000 2.402 325 K HA 0.323 4.643 4.320 0.001 0.000 0.203 325 K C 0.944 177.661 176.600 0.195 0.000 1.077 325 K CA 0.217 56.577 56.287 0.122 0.000 1.051 325 K CB 1.290 33.860 32.500 0.117 0.000 0.907 325 K HN 0.320 nan 8.250 nan 0.000 0.554 326 S N 1.119 116.937 115.700 0.197 0.000 2.711 326 S HA 0.262 4.732 4.470 0.001 0.000 0.247 326 S C -0.019 174.740 174.600 0.266 0.000 1.079 326 S CA -0.428 57.913 58.200 0.236 0.000 1.050 326 S CB 0.573 63.942 63.200 0.280 0.000 0.885 326 S HN 0.129 nan 8.310 nan 0.000 0.498 327 R N 1.893 122.528 120.500 0.224 0.000 2.543 327 R HA 0.162 4.502 4.340 0.001 0.000 0.277 327 R C -0.738 175.652 176.300 0.150 0.000 1.074 327 R CA -0.516 55.720 56.100 0.228 0.000 1.076 327 R CB 0.173 30.561 30.300 0.147 0.000 0.993 327 R HN 0.161 nan 8.270 nan 0.000 0.459 328 D N 1.583 122.055 120.400 0.120 0.000 2.586 328 D HA -0.009 4.632 4.640 0.001 0.000 0.234 328 D C 1.354 177.693 176.300 0.065 0.000 1.132 328 D CA 1.591 55.632 54.000 0.068 0.000 0.860 328 D CB 0.426 41.247 40.800 0.036 0.000 1.159 328 D HN 0.799 nan 8.370 nan 0.000 0.490 329 G N 2.252 111.091 108.800 0.064 0.000 2.180 329 G HA2 -0.313 3.647 3.960 0.001 0.000 0.263 329 G HA3 -0.313 3.647 3.960 0.001 0.000 0.263 329 G C 0.758 175.716 174.900 0.096 0.000 0.989 329 G CA 0.019 45.159 45.100 0.066 0.000 0.692 329 G HN 0.464 nan 8.290 nan 0.000 0.526 330 L N 1.072 122.368 121.223 0.121 0.000 2.685 330 L HA 0.357 4.697 4.340 0.001 0.000 0.233 330 L C 1.043 178.086 176.870 0.288 0.000 1.173 330 L CA 1.084 56.044 54.840 0.199 0.000 0.961 330 L CB 0.461 42.603 42.059 0.138 0.000 1.217 330 L HN 0.160 nan 8.230 nan 0.000 0.478 331 T N 0.077 114.744 114.554 0.189 0.000 3.317 331 T HA 0.294 4.645 4.350 0.001 0.000 0.361 331 T C -2.545 172.215 174.700 0.100 0.000 1.499 331 T CA -1.225 60.956 62.100 0.136 0.000 1.529 331 T CB 0.865 69.795 68.868 0.104 0.000 0.997 331 T HN -0.197 nan 8.240 nan 0.000 0.624 332 P HA 0.202 nan 4.420 nan 0.000 0.264 332 P C -0.485 176.845 177.300 0.050 0.000 1.183 332 P CA 0.008 63.157 63.100 0.081 0.000 0.763 332 P CB 0.439 32.196 31.700 0.095 0.000 0.807 333 M N 3.168 122.797 119.600 0.048 0.000 2.322 333 M HA 0.275 4.755 4.480 0.001 0.000 0.285 333 M C -1.318 175.021 176.300 0.065 0.000 1.119 333 M CA -0.806 54.528 55.300 0.057 0.000 0.953 333 M CB 1.425 34.053 32.600 0.047 0.000 1.701 333 M HN 0.104 nan 8.290 nan 0.000 0.479 334 L N 2.639 123.922 121.223 0.099 0.000 2.456 334 L HA 0.162 4.503 4.340 0.001 0.000 0.272 334 L C 1.313 178.286 176.870 0.172 0.000 1.189 334 L CA 0.102 55.008 54.840 0.110 0.000 0.846 334 L CB 1.446 43.566 42.059 0.102 0.000 1.111 334 L HN 0.959 nan 8.230 nan 0.000 0.475 335 S N -0.977 114.800 115.700 0.128 0.000 2.558 335 S HA -0.002 4.468 4.470 0.001 0.000 0.217 335 S C 0.720 175.472 174.600 0.254 0.000 0.975 335 S CA -0.027 58.271 58.200 0.164 0.000 0.912 335 S CB -0.389 62.850 63.200 0.065 0.000 0.776 335 S HN 0.765 nan 8.310 nan 0.000 0.526 336 T N 0.670 115.321 114.554 0.162 0.000 2.913 336 T HA 0.687 5.037 4.350 0.001 0.000 0.287 336 T C -0.309 174.411 174.700 0.033 0.000 1.008 336 T CA -0.772 61.384 62.100 0.093 0.000 1.067 336 T CB 0.758 69.662 68.868 0.059 0.000 0.996 336 T HN 0.261 nan 8.240 nan 0.000 0.513 337 I N 1.985 122.539 120.570 -0.026 0.000 2.436 337 I HA 0.343 4.514 4.170 0.001 0.000 0.289 337 I C -0.537 175.561 176.117 -0.032 0.000 1.010 337 I CA -1.343 59.900 61.300 -0.095 0.000 1.098 337 I CB 2.278 40.162 38.000 -0.193 0.000 1.266 337 I HN 0.427 nan 8.210 nan 0.000 0.434 338 V N 8.516 128.434 119.914 0.006 0.000 2.432 338 V HA 0.252 4.372 4.120 0.001 0.000 0.271 338 V C -1.960 174.153 176.094 0.032 0.000 1.046 338 V CA -1.539 60.788 62.300 0.044 0.000 0.945 338 V CB 0.947 32.826 31.823 0.094 0.000 0.992 338 V HN 0.539 nan 8.190 nan 0.000 0.471 339 P HA 0.132 nan 4.420 nan 0.000 0.271 339 P C 0.491 177.808 177.300 0.027 0.000 1.218 339 P CA -0.472 62.617 63.100 -0.018 0.000 0.780 339 P CB 0.582 32.275 31.700 -0.013 0.000 0.901 340 K N 2.726 123.108 120.400 -0.029 0.000 2.209 340 K HA -0.181 4.140 4.320 0.001 0.000 0.204 340 K C 1.148 177.812 176.600 0.107 0.000 1.048 340 K CA 1.338 57.670 56.287 0.074 0.000 0.940 340 K CB -0.374 32.105 32.500 -0.036 0.000 0.729 340 K HN 0.264 nan 8.250 nan 0.000 0.451 341 E N 1.491 121.718 120.200 0.046 0.000 2.160 341 E HA -0.193 4.157 4.350 0.001 0.000 0.195 341 E C 2.025 178.653 176.600 0.047 0.000 0.991 341 E CA 1.480 57.903 56.400 0.039 0.000 0.810 341 E CB -0.472 29.238 29.700 0.016 0.000 0.742 341 E HN 0.535 nan 8.360 nan 0.000 0.466 342 A N 1.264 124.117 122.820 0.055 0.000 2.119 342 A HA 0.036 4.356 4.320 0.001 0.000 0.217 342 A C 1.265 178.879 177.584 0.050 0.000 1.153 342 A CA 0.406 52.472 52.037 0.049 0.000 0.692 342 A CB 0.032 19.060 19.000 0.047 0.000 0.799 342 A HN 0.114 nan 8.150 nan 0.000 0.458 343 I N 0.872 121.491 120.570 0.081 0.000 2.502 343 I HA 0.201 4.371 4.170 0.001 0.000 0.276 343 I C -2.040 174.105 176.117 0.045 0.000 1.057 343 I CA -1.654 59.666 61.300 0.034 0.000 1.163 343 I CB 1.123 39.105 38.000 -0.029 0.000 1.288 343 I HN 0.065 nan 8.210 nan 0.000 0.479 344 P HA -0.031 nan 4.420 nan 0.000 0.229 344 P C 0.075 177.391 177.300 0.028 0.000 1.160 344 P CA 0.962 64.084 63.100 0.037 0.000 0.777 344 P CB 0.332 32.047 31.700 0.026 0.000 0.814 345 D N -0.870 119.523 120.400 -0.012 0.000 2.607 345 D HA 0.130 4.770 4.640 0.001 0.000 0.318 345 D C -1.975 174.264 176.300 -0.102 0.000 1.212 345 D CA -1.940 52.049 54.000 -0.019 0.000 0.861 345 D CB 0.454 41.247 40.800 -0.012 0.000 1.064 345 D HN 0.130 nan 8.370 nan 0.000 0.500 346 P HA -0.114 nan 4.420 nan 0.000 0.226 346 P C 0.127 177.139 177.300 -0.481 0.000 1.153 346 P CA 0.765 63.587 63.100 -0.462 0.000 0.777 346 P CB -0.042 31.310 31.700 -0.580 0.000 0.794 347 H N -0.727 118.287 119.070 -0.092 0.000 2.605 347 H HA 0.227 4.783 4.556 0.001 0.000 0.308 347 H C 0.744 176.038 175.328 -0.056 0.000 1.080 347 H CA 0.049 56.055 56.048 -0.070 0.000 1.119 347 H CB -0.586 29.143 29.762 -0.054 0.000 1.479 347 H HN 0.057 nan 8.280 nan 0.000 0.537 348 N N 0.374 119.063 118.700 -0.019 0.000 2.240 348 N HA 0.109 4.849 4.740 0.001 0.000 0.240 348 N C -1.097 174.394 175.510 -0.032 0.000 1.277 348 N CA -0.027 53.017 53.050 -0.011 0.000 0.873 348 N CB 0.580 39.062 38.487 -0.009 0.000 1.222 348 N HN 0.163 nan 8.380 nan 0.000 0.507 349 L N 0.891 122.082 121.223 -0.055 0.000 2.289 349 L HA 0.478 4.818 4.340 0.001 0.000 0.285 349 L C 0.008 176.868 176.870 -0.018 0.000 1.049 349 L CA -0.634 54.172 54.840 -0.056 0.000 0.804 349 L CB 1.602 43.596 42.059 -0.108 0.000 1.195 349 L HN -0.006 nan 8.230 nan 0.000 0.428 350 T N 4.279 118.825 114.554 -0.014 0.000 2.780 350 T HA 0.519 4.870 4.350 0.001 0.000 0.294 350 T C -0.150 174.542 174.700 -0.014 0.000 0.949 350 T CA -0.381 61.715 62.100 -0.007 0.000 1.074 350 T CB 0.659 69.524 68.868 -0.004 0.000 0.910 350 T HN 0.168 nan 8.240 nan 0.000 0.501 351 L N 4.026 125.233 121.223 -0.026 0.000 2.307 351 L HA 0.649 4.990 4.340 0.001 0.000 0.284 351 L C 0.504 177.311 176.870 -0.105 0.000 1.023 351 L CA -0.513 54.294 54.840 -0.055 0.000 0.810 351 L CB 1.198 43.215 42.059 -0.069 0.000 1.231 351 L HN 0.416 nan 8.230 nan 0.000 0.423 352 R N 0.903 121.327 120.500 -0.127 0.000 2.725 352 R HA 0.783 5.123 4.340 0.001 0.000 0.277 352 R C -1.206 174.893 176.300 -0.334 0.000 0.987 352 R CA -0.808 55.129 56.100 -0.272 0.000 0.901 352 R CB 2.589 32.706 30.300 -0.305 0.000 1.207 352 R HN 0.533 nan 8.270 nan 0.000 0.463 353 T N 2.509 116.749 114.554 -0.523 0.000 2.812 353 T HA 0.512 4.862 4.350 0.001 0.000 0.282 353 T C -0.976 173.314 174.700 -0.682 0.000 0.990 353 T CA -0.446 61.332 62.100 -0.537 0.000 0.960 353 T CB 0.630 69.025 68.868 -0.789 0.000 0.948 353 T HN 0.210 nan 8.240 nan 0.000 0.438 354 F N 1.551 121.368 119.950 -0.222 0.000 2.458 354 F HA 0.677 5.204 4.527 0.001 0.000 0.330 354 F C -0.040 175.676 175.800 -0.139 0.000 1.082 354 F CA -0.998 56.914 58.000 -0.147 0.000 0.995 354 F CB 1.675 40.623 39.000 -0.087 0.000 1.170 354 F HN 0.162 nan 8.300 nan 0.000 0.478 355 V N 3.066 123.035 119.914 0.093 0.000 2.409 355 V HA 0.270 4.390 4.120 0.001 0.000 0.290 355 V C -0.601 175.549 176.094 0.093 0.000 1.017 355 V CA -1.389 60.959 62.300 0.080 0.000 0.841 355 V CB 1.233 33.106 31.823 0.083 0.000 1.003 355 V HN 0.862 nan 8.190 nan 0.000 0.426 356 N N 4.145 122.891 118.700 0.077 0.000 2.714 356 N HA -0.232 4.508 4.740 0.001 0.000 0.253 356 N C 1.285 176.827 175.510 0.053 0.000 1.024 356 N CA 1.328 54.410 53.050 0.054 0.000 0.726 356 N CB -1.006 37.508 38.487 0.046 0.000 0.908 356 N HN 1.541 nan 8.380 nan 0.000 0.542 357 G N -0.495 108.338 108.800 0.055 0.000 2.302 357 G HA2 -0.404 3.557 3.960 0.001 0.000 0.263 357 G HA3 -0.404 3.557 3.960 0.001 0.000 0.263 357 G C -0.073 174.930 174.900 0.172 0.000 0.995 357 G CA 0.908 46.023 45.100 0.026 0.000 0.622 357 G HN 0.699 nan 8.290 nan 0.000 0.538 358 E N 0.492 120.802 120.200 0.183 0.000 2.316 358 E HA 0.426 4.776 4.350 0.001 0.000 0.275 358 E C 0.155 176.897 176.600 0.236 0.000 1.029 358 E CA -0.875 55.634 56.400 0.182 0.000 0.871 358 E CB 0.481 30.238 29.700 0.095 0.000 1.022 358 E HN 0.320 nan 8.360 nan 0.000 0.418 359 L N 5.582 126.903 121.223 0.163 0.000 2.410 359 L HA 0.118 4.458 4.340 0.001 0.000 0.273 359 L C 0.706 177.468 176.870 -0.180 0.000 1.144 359 L CA 0.629 55.340 54.840 -0.216 0.000 0.863 359 L CB 0.369 42.313 42.059 -0.192 0.000 1.140 359 L HN 0.630 nan 8.230 nan 0.000 0.463 360 R N 2.651 122.979 120.500 -0.286 0.000 2.507 360 R HA 0.205 4.545 4.340 0.001 0.000 0.230 360 R C -0.301 175.923 176.300 -0.127 0.000 0.897 360 R CA -0.047 55.970 56.100 -0.138 0.000 1.006 360 R CB 0.779 31.030 30.300 -0.082 0.000 1.341 360 R HN 0.734 nan 8.270 nan 0.000 0.604 361 Q N 0.794 120.434 119.800 -0.266 0.000 2.289 361 Q HA 0.281 4.622 4.340 0.001 0.000 0.270 361 Q C -1.790 174.068 176.000 -0.238 0.000 1.038 361 Q CA -0.403 55.293 55.803 -0.177 0.000 0.812 361 Q CB 2.612 31.273 28.738 -0.129 0.000 1.300 361 Q HN -0.050 nan 8.270 nan 0.000 0.427 362 Q N 2.008 121.708 119.800 -0.166 0.000 2.315 362 Q HA 0.776 5.116 4.340 0.001 0.000 0.273 362 Q C -1.567 174.363 176.000 -0.116 0.000 1.053 362 Q CA -0.559 55.153 55.803 -0.151 0.000 0.817 362 Q CB 2.233 30.895 28.738 -0.128 0.000 1.326 362 Q HN 0.855 nan 8.270 nan 0.000 0.423 363 G N 0.413 109.153 108.800 -0.100 0.000 2.663 363 G HA2 0.579 4.540 3.960 0.001 0.000 0.299 363 G HA3 0.579 4.540 3.960 0.001 0.000 0.299 363 G C -1.688 173.219 174.900 0.012 0.000 1.372 363 G CA -0.286 44.782 45.100 -0.054 0.000 0.781 363 G HN 0.420 nan 8.290 nan 0.000 0.491 364 T N -1.654 112.959 114.554 0.098 0.000 2.916 364 T HA 0.481 4.831 4.350 0.001 0.000 0.298 364 T C 1.497 176.302 174.700 0.176 0.000 1.031 364 T CA 0.689 62.846 62.100 0.096 0.000 0.993 364 T CB 1.297 70.191 68.868 0.045 0.000 1.045 364 T HN 1.234 nan 8.240 nan 0.000 0.454 365 T N 1.740 116.361 114.554 0.111 0.000 3.077 365 T HA 0.031 4.381 4.350 0.001 0.000 0.269 365 T C 2.104 176.806 174.700 0.003 0.000 1.146 365 T CA 0.985 63.107 62.100 0.038 0.000 1.091 365 T CB -0.418 68.421 68.868 -0.048 0.000 0.892 365 T HN 0.711 nan 8.240 nan 0.000 0.533 366 A N 1.671 124.506 122.820 0.025 0.000 2.125 366 A HA -0.048 4.272 4.320 0.001 0.000 0.219 366 A C 1.921 179.479 177.584 -0.042 0.000 1.156 366 A CA 1.324 53.371 52.037 0.016 0.000 0.671 366 A CB -0.394 18.619 19.000 0.022 0.000 0.794 366 A HN 0.472 nan 8.150 nan 0.000 0.459 367 D N -0.640 119.708 120.400 -0.087 0.000 2.349 367 D HA 0.177 4.817 4.640 0.001 0.000 0.214 367 D C 0.256 176.307 176.300 -0.415 0.000 1.063 367 D CA -0.082 53.816 54.000 -0.169 0.000 0.847 367 D CB -0.069 40.697 40.800 -0.057 0.000 0.933 367 D HN 0.373 nan 8.370 nan 0.000 0.513 368 L N 1.295 122.197 121.223 -0.535 0.000 2.601 368 L HA -0.026 4.314 4.340 0.001 0.000 0.277 368 L C 1.750 178.402 176.870 -0.363 0.000 1.219 368 L CA -0.079 54.423 54.840 -0.564 0.000 0.915 368 L CB 0.781 42.680 42.059 -0.267 0.000 1.160 368 L HN -0.089 nan 8.230 nan 0.000 0.494 369 I N 2.548 122.884 120.570 -0.391 0.000 2.206 369 I HA -0.130 4.041 4.170 0.001 0.000 0.239 369 I C 0.427 176.143 176.117 -0.668 0.000 1.078 369 I CA 0.999 61.992 61.300 -0.512 0.000 1.367 369 I CB 0.036 37.688 38.000 -0.579 0.000 1.078 369 I HN 0.308 nan 8.210 nan 0.000 0.413 370 F N 1.680 121.465 119.950 -0.276 0.000 2.405 370 F HA 0.231 4.758 4.527 0.000 0.000 0.355 370 F C 1.009 176.737 175.800 -0.120 0.000 1.121 370 F CA -1.012 56.780 58.000 -0.348 0.000 1.112 370 F CB 0.709 39.529 39.000 -0.299 0.000 1.126 370 F HN -0.054 nan 8.300 nan 0.000 0.481 371 S N 1.723 117.475 115.700 0.088 0.000 2.608 371 S HA 0.241 4.711 4.470 0.001 0.000 0.261 371 S C 1.114 175.909 174.600 0.326 0.000 1.314 371 S CA -0.814 57.484 58.200 0.164 0.000 0.992 371 S CB 1.096 64.270 63.200 -0.044 0.000 0.935 371 S HN 0.390 nan 8.310 nan 0.000 0.564 372 V N 2.136 122.336 119.914 0.476 0.000 2.252 372 V HA -0.094 4.027 4.120 0.001 0.000 0.249 372 V C -0.533 175.703 176.094 0.235 0.000 1.056 372 V CA 2.099 64.580 62.300 0.301 0.000 1.022 372 V CB -1.971 30.003 31.823 0.251 0.000 0.641 372 V HN 0.795 nan 8.190 nan 0.000 0.445 373 P HA -0.155 nan 4.420 nan 0.000 0.219 373 P C 1.727 179.112 177.300 0.141 0.000 1.150 373 P CA 1.345 64.538 63.100 0.155 0.000 0.814 373 P CB -0.162 31.621 31.700 0.139 0.000 0.787 374 F N 0.982 120.973 119.950 0.067 0.000 2.095 374 F HA -0.176 4.351 4.527 0.001 0.000 0.298 374 F C 2.153 177.991 175.800 0.063 0.000 1.104 374 F CA 1.519 59.562 58.000 0.072 0.000 1.232 374 F CB -0.993 38.073 39.000 0.109 0.000 0.987 374 F HN -0.293 nan 8.300 nan 0.000 0.475 375 L N -0.133 121.276 121.223 0.309 0.000 2.046 375 L HA -0.249 4.092 4.340 0.001 0.000 0.208 375 L C 2.469 179.331 176.870 -0.014 0.000 1.077 375 L CA 1.456 56.387 54.840 0.153 0.000 0.747 375 L CB -0.691 41.451 42.059 0.139 0.000 0.896 375 L HN 0.196 nan 8.230 nan 0.000 0.432 376 I N -0.313 120.232 120.570 -0.042 0.000 2.252 376 I HA -0.266 3.904 4.170 0.001 0.000 0.245 376 I C 2.765 178.756 176.117 -0.209 0.000 1.102 376 I CA 1.121 62.338 61.300 -0.138 0.000 1.385 376 I CB -0.414 37.539 38.000 -0.078 0.000 1.064 376 I HN 0.198 nan 8.210 nan 0.000 0.414 377 A N 0.112 122.819 122.820 -0.188 0.000 1.898 377 A HA -0.270 4.051 4.320 0.001 0.000 0.216 377 A C 2.282 179.701 177.584 -0.276 0.000 1.181 377 A CA 1.424 53.317 52.037 -0.241 0.000 0.620 377 A CB -0.975 17.886 19.000 -0.232 0.000 0.819 377 A HN 0.511 nan 8.150 nan 0.000 0.442 378 Y N 0.575 120.622 120.300 -0.422 0.000 2.097 378 Y HA -0.195 4.355 4.550 0.001 0.000 0.282 378 Y C 1.967 177.706 175.900 -0.268 0.000 1.152 378 Y CA 2.053 59.942 58.100 -0.351 0.000 1.136 378 Y CB -0.384 37.867 38.460 -0.348 0.000 0.975 378 Y HN 0.209 nan 8.280 nan 0.000 0.498 379 L N -0.226 120.762 121.223 -0.391 0.000 2.027 379 L HA -0.202 4.138 4.340 0.001 0.000 0.206 379 L C 2.735 179.052 176.870 -0.922 0.000 1.074 379 L CA 1.639 55.998 54.840 -0.801 0.000 0.745 379 L CB -0.918 40.720 42.059 -0.702 0.000 0.898 379 L HN 0.382 nan 8.230 nan 0.000 0.433 380 S N -1.064 114.294 115.700 -0.571 0.000 2.469 380 S HA -0.205 4.265 4.470 0.001 0.000 0.238 380 S C 1.828 176.184 174.600 -0.406 0.000 0.998 380 S CA 0.976 58.897 58.200 -0.465 0.000 0.957 380 S CB -0.340 62.633 63.200 -0.379 0.000 0.764 380 S HN 0.418 nan 8.310 nan 0.000 0.514 381 E N 1.358 121.323 120.200 -0.393 0.000 2.204 381 E HA -0.133 4.218 4.350 0.001 0.000 0.195 381 E C 1.278 177.783 176.600 -0.158 0.000 0.990 381 E CA 1.295 57.550 56.400 -0.242 0.000 0.821 381 E CB -0.106 29.477 29.700 -0.196 0.000 0.750 381 E HN 0.893 nan 8.360 nan 0.000 0.477 382 F N -0.755 119.018 119.950 -0.293 0.000 2.784 382 F HA 0.366 4.893 4.527 0.000 0.000 0.323 382 F C 0.487 176.143 175.800 -0.240 0.000 1.085 382 F CA -0.737 57.100 58.000 -0.270 0.000 1.196 382 F CB 0.122 38.939 39.000 -0.305 0.000 1.053 382 F HN -0.187 nan 8.300 nan 0.000 0.578 383 M N 0.076 119.340 119.600 -0.560 0.000 2.520 383 M HA 0.511 4.991 4.480 0.001 0.000 0.280 383 M C -1.312 174.814 176.300 -0.290 0.000 1.232 383 M CA -0.657 54.433 55.300 -0.351 0.000 0.892 383 M CB 1.956 34.367 32.600 -0.316 0.000 1.728 383 M HN -0.214 nan 8.290 nan 0.000 0.475 384 T N 3.562 118.030 114.554 -0.143 0.000 2.814 384 T HA 0.469 4.820 4.350 0.001 0.000 0.297 384 T C -0.049 174.618 174.700 -0.055 0.000 0.956 384 T CA -0.281 61.764 62.100 -0.092 0.000 1.123 384 T CB 0.056 68.918 68.868 -0.011 0.000 0.902 384 T HN 0.450 nan 8.240 nan 0.000 0.528 385 L N 4.464 125.632 121.223 -0.090 0.000 2.292 385 L HA 0.441 4.781 4.340 0.001 0.000 0.284 385 L C 0.410 177.299 176.870 0.030 0.000 1.065 385 L CA -0.655 54.163 54.840 -0.037 0.000 0.806 385 L CB 0.689 42.676 42.059 -0.121 0.000 1.175 385 L HN 0.620 nan 8.230 nan 0.000 0.431 386 N N 2.812 121.555 118.700 0.071 0.000 2.335 386 N HA 0.451 5.191 4.740 0.001 0.000 0.304 386 N C -2.694 172.866 175.510 0.084 0.000 1.135 386 N CA -1.488 51.628 53.050 0.109 0.000 0.817 386 N CB 1.564 40.161 38.487 0.184 0.000 1.294 386 N HN 0.303 nan 8.380 nan 0.000 0.497 387 P HA 0.040 nan 4.420 nan 0.000 0.262 387 P C 0.711 178.055 177.300 0.073 0.000 1.182 387 P CA 1.033 64.179 63.100 0.076 0.000 0.761 387 P CB 0.439 32.187 31.700 0.081 0.000 0.795 388 G N 2.176 111.013 108.800 0.062 0.000 2.254 388 G HA2 -0.190 3.770 3.960 0.001 0.000 0.225 388 G HA3 -0.190 3.770 3.960 0.001 0.000 0.225 388 G C -0.018 174.914 174.900 0.052 0.000 1.003 388 G CA -0.310 44.837 45.100 0.078 0.000 0.622 388 G HN 0.501 nan 8.290 nan 0.000 0.507 389 D N 1.066 121.488 120.400 0.036 0.000 2.449 389 D HA 0.503 5.143 4.640 0.001 0.000 0.236 389 D C 0.791 177.154 176.300 0.105 0.000 1.149 389 D CA 0.792 54.834 54.000 0.070 0.000 0.878 389 D CB 0.542 41.435 40.800 0.156 0.000 1.198 389 D HN 0.402 nan 8.370 nan 0.000 0.446 390 M N 1.410 121.097 119.600 0.145 0.000 2.395 390 M HA 0.454 4.934 4.480 0.001 0.000 0.307 390 M C -0.676 175.740 176.300 0.194 0.000 1.091 390 M CA -0.530 54.851 55.300 0.135 0.000 0.919 390 M CB 2.230 34.903 32.600 0.122 0.000 1.662 390 M HN 0.101 nan 8.290 nan 0.000 0.440 391 I N 2.344 122.990 120.570 0.127 0.000 2.382 391 I HA 0.507 4.677 4.170 0.001 0.000 0.285 391 I C -0.112 176.057 176.117 0.086 0.000 1.007 391 I CA -0.721 60.646 61.300 0.112 0.000 1.142 391 I CB 1.688 39.709 38.000 0.034 0.000 1.289 391 I HN 0.755 nan 8.210 nan 0.000 0.453 392 A N 3.812 126.672 122.820 0.067 0.000 2.347 392 A HA 0.372 4.693 4.320 0.001 0.000 0.287 392 A C 1.176 178.804 177.584 0.073 0.000 1.199 392 A CA -0.291 51.783 52.037 0.061 0.000 0.851 392 A CB -0.059 18.960 19.000 0.032 0.000 1.118 392 A HN 0.840 nan 8.150 nan 0.000 0.525 393 T N 0.196 114.817 114.554 0.112 0.000 3.148 393 T HA 0.465 4.815 4.350 0.001 0.000 0.253 393 T C 1.004 175.831 174.700 0.211 0.000 1.134 393 T CA 0.669 62.851 62.100 0.135 0.000 1.051 393 T CB -0.524 68.415 68.868 0.119 0.000 0.959 393 T HN 2.341 nan 8.240 nan 0.000 0.525 394 G N -0.411 108.531 108.800 0.237 0.000 2.422 394 G HA2 0.238 4.199 3.960 0.001 0.000 0.607 394 G HA3 0.238 4.199 3.960 0.001 0.000 0.607 394 G C -0.775 174.290 174.900 0.274 0.000 1.270 394 G CA -0.431 44.853 45.100 0.307 0.000 0.992 394 G HN 0.559 nan 8.290 nan 0.000 0.499 395 T N 1.882 116.484 114.554 0.080 0.000 2.909 395 T HA 0.789 5.139 4.350 0.001 0.000 0.299 395 T C -2.553 171.687 174.700 -0.767 0.000 1.073 395 T CA -0.719 61.180 62.100 -0.335 0.000 0.999 395 T CB 2.267 71.082 68.868 -0.088 0.000 1.098 395 T HN 0.561 nan 8.240 nan 0.000 0.477 396 P HA 0.307 nan 4.420 nan 0.000 0.279 396 P C -0.585 176.555 177.300 -0.267 0.000 1.282 396 P CA -0.488 62.195 63.100 -0.696 0.000 0.788 396 P CB 0.327 31.699 31.700 -0.546 0.000 1.139 397 K N -1.225 119.086 120.400 -0.148 0.000 2.380 397 K HA 0.447 4.768 4.320 0.001 0.000 0.267 397 K C 1.079 177.636 176.600 -0.072 0.000 0.990 397 K CA 0.431 56.665 56.287 -0.088 0.000 0.946 397 K CB -0.946 31.520 32.500 -0.058 0.000 0.937 397 K HN 1.074 nan 8.250 nan 0.000 0.491 398 G N 0.677 109.451 108.800 -0.043 0.000 2.441 398 G HA2 -0.078 3.882 3.960 0.001 0.000 0.139 398 G HA3 -0.078 3.882 3.960 0.001 0.000 0.139 398 G C -0.469 174.482 174.900 0.084 0.000 1.067 398 G CA -0.699 44.408 45.100 0.011 0.000 0.766 398 G HN 0.419 nan 8.290 nan 0.000 0.484 399 L N 1.235 122.423 121.223 -0.058 0.000 2.325 399 L HA 0.846 5.186 4.340 0.001 0.000 0.279 399 L C 0.747 177.539 176.870 -0.131 0.000 1.054 399 L CA -0.357 54.327 54.840 -0.260 0.000 0.804 399 L CB 1.724 43.474 42.059 -0.515 0.000 1.200 399 L HN 0.518 nan 8.230 nan 0.000 0.436 400 S N -0.430 115.096 115.700 -0.289 0.000 2.625 400 S HA 0.365 4.835 4.470 0.001 0.000 0.271 400 S C -1.269 173.181 174.600 -0.249 0.000 1.161 400 S CA -1.111 57.060 58.200 -0.047 0.000 0.820 400 S CB 1.884 65.154 63.200 0.117 0.000 1.137 400 S HN 0.579 nan 8.310 nan 0.000 0.470 401 D N 0.433 120.748 120.400 -0.141 0.000 2.345 401 D HA 0.472 5.112 4.640 0.001 0.000 0.247 401 D C -0.135 176.113 176.300 -0.086 0.000 1.108 401 D CA -0.035 53.805 54.000 -0.267 0.000 0.894 401 D CB 1.187 41.943 40.800 -0.074 0.000 1.203 401 D HN 0.819 nan 8.370 nan 0.000 0.430 402 V N 1.650 121.501 119.914 -0.105 0.000 2.735 402 V HA 0.845 4.966 4.120 0.001 0.000 0.310 402 V C -0.352 175.708 176.094 -0.055 0.000 1.061 402 V CA -0.840 61.456 62.300 -0.006 0.000 0.913 402 V CB 1.367 33.250 31.823 0.100 0.000 1.005 402 V HN 0.476 nan 8.190 nan 0.000 0.428 403 V N 0.147 120.046 119.914 -0.025 0.000 3.130 403 V HA 0.806 4.927 4.120 0.001 0.000 0.310 403 V C -2.949 173.130 176.094 -0.026 0.000 1.158 403 V CA -2.808 59.471 62.300 -0.035 0.000 1.029 403 V CB 1.727 33.541 31.823 -0.016 0.000 1.057 403 V HN 0.752 nan 8.190 nan 0.000 0.436 404 P HA 0.321 nan 4.420 nan 0.000 0.265 404 P C 1.026 178.322 177.300 -0.007 0.000 1.187 404 P CA 2.086 65.172 63.100 -0.022 0.000 0.766 404 P CB 0.698 32.385 31.700 -0.021 0.000 0.820 405 G N 1.732 110.531 108.800 -0.002 0.000 2.268 405 G HA2 -0.200 3.760 3.960 0.001 0.000 0.240 405 G HA3 -0.200 3.760 3.960 0.001 0.000 0.240 405 G C -0.042 174.868 174.900 0.016 0.000 1.010 405 G CA -0.221 44.883 45.100 0.007 0.000 0.618 405 G HN 0.518 nan 8.290 nan 0.000 0.516 406 D N 1.298 121.711 120.400 0.021 0.000 2.425 406 D HA 0.442 5.082 4.640 0.001 0.000 0.247 406 D C 0.394 176.723 176.300 0.050 0.000 1.147 406 D CA 0.241 54.265 54.000 0.040 0.000 0.879 406 D CB 1.150 41.982 40.800 0.052 0.000 1.179 406 D HN 0.510 nan 8.370 nan 0.000 0.456 407 E N 1.672 121.904 120.200 0.054 0.000 2.081 407 E HA 0.319 4.669 4.350 0.001 0.000 0.281 407 E C -1.199 175.449 176.600 0.079 0.000 0.986 407 E CA -0.671 55.765 56.400 0.060 0.000 0.796 407 E CB 0.695 30.419 29.700 0.040 0.000 1.085 407 E HN 0.077 nan 8.360 nan 0.000 0.398 408 V N 5.361 125.338 119.914 0.105 0.000 2.370 408 V HA 0.296 4.417 4.120 0.001 0.000 0.279 408 V C -0.263 175.877 176.094 0.076 0.000 1.029 408 V CA -0.741 61.622 62.300 0.105 0.000 0.870 408 V CB 1.382 33.332 31.823 0.212 0.000 0.984 408 V HN 0.449 nan 8.190 nan 0.000 0.451 409 V N 5.983 125.934 119.914 0.063 0.000 2.444 409 V HA 0.532 4.653 4.120 0.001 0.000 0.294 409 V C -0.198 175.934 176.094 0.063 0.000 1.022 409 V CA -0.638 61.709 62.300 0.080 0.000 0.850 409 V CB 2.070 33.959 31.823 0.110 0.000 0.992 409 V HN 0.746 nan 8.190 nan 0.000 0.426 410 V N 1.908 121.836 119.914 0.023 0.000 2.513 410 V HA 0.802 4.922 4.120 0.001 0.000 0.299 410 V C -0.555 175.558 176.094 0.032 0.000 1.035 410 V CA -0.529 61.764 62.300 -0.012 0.000 0.889 410 V CB 1.758 33.546 31.823 -0.057 0.000 0.988 410 V HN 0.955 nan 8.190 nan 0.000 0.440 411 E N 2.920 123.142 120.200 0.036 0.000 2.246 411 E HA 0.672 5.023 4.350 0.001 0.000 0.266 411 E C -1.886 174.729 176.600 0.024 0.000 0.880 411 E CA -0.696 55.738 56.400 0.058 0.000 0.762 411 E CB 2.438 32.219 29.700 0.137 0.000 1.180 411 E HN 0.723 nan 8.360 nan 0.000 0.416 412 V N 4.783 124.709 119.914 0.019 0.000 2.350 412 V HA 0.138 4.258 4.120 0.001 0.000 0.285 412 V C -0.034 176.063 176.094 0.005 0.000 1.014 412 V CA -0.750 61.553 62.300 0.005 0.000 0.831 412 V CB 1.321 33.144 31.823 0.000 0.000 1.000 412 V HN 0.795 nan 8.190 nan 0.000 0.433 413 E N 4.050 124.252 120.200 0.003 0.000 3.250 413 E HA -0.012 4.339 4.350 0.001 0.000 0.244 413 E C 1.339 177.932 176.600 -0.012 0.000 0.931 413 E CA 1.199 57.599 56.400 -0.000 0.000 0.954 413 E CB -0.194 29.502 29.700 -0.008 0.000 0.894 413 E HN 1.151 nan 8.360 nan 0.000 0.560 414 G N 2.365 111.164 108.800 -0.002 0.000 2.179 414 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 414 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 414 G C 0.614 175.517 174.900 0.005 0.000 0.977 414 G CA 0.271 45.369 45.100 -0.003 0.000 0.641 414 G HN 0.503 nan 8.290 nan 0.000 0.533 415 V N -0.844 119.076 119.914 0.010 0.000 2.996 415 V HA 0.715 4.835 4.120 0.001 0.000 0.235 415 V C 1.354 177.470 176.094 0.035 0.000 1.205 415 V CA 1.612 63.929 62.300 0.029 0.000 1.225 415 V CB 0.674 32.513 31.823 0.027 0.000 0.995 415 V HN 1.726 nan 8.190 nan 0.000 0.484 416 G N -0.071 108.747 108.800 0.030 0.000 2.316 416 G HA2 0.479 4.440 3.960 0.001 0.000 0.296 416 G HA3 0.479 4.440 3.960 0.001 0.000 0.296 416 G C -1.736 173.184 174.900 0.033 0.000 1.399 416 G CA -0.777 44.342 45.100 0.033 0.000 0.833 416 G HN 0.150 nan 8.290 nan 0.000 0.565 417 R N -0.261 120.258 120.500 0.032 0.000 2.439 417 R HA 0.663 5.003 4.340 0.001 0.000 0.310 417 R C -1.622 174.698 176.300 0.033 0.000 0.955 417 R CA -0.797 55.323 56.100 0.033 0.000 0.853 417 R CB 1.483 31.796 30.300 0.022 0.000 1.171 417 R HN 0.552 nan 8.270 nan 0.000 0.449 418 L N 5.698 126.942 121.223 0.035 0.000 2.342 418 L HA 0.442 4.782 4.340 0.001 0.000 0.276 418 L C -1.489 175.404 176.870 0.039 0.000 0.997 418 L CA -0.549 54.312 54.840 0.036 0.000 0.838 418 L CB 1.872 43.951 42.059 0.033 0.000 1.224 418 L HN 0.363 nan 8.230 nan 0.000 0.416 419 V N 5.040 124.979 119.914 0.041 0.000 2.472 419 V HA 0.598 4.719 4.120 0.001 0.000 0.290 419 V C -0.220 175.913 176.094 0.064 0.000 1.037 419 V CA -0.553 61.775 62.300 0.047 0.000 0.908 419 V CB 1.693 33.535 31.823 0.033 0.000 0.985 419 V HN 0.897 nan 8.190 nan 0.000 0.454 420 N N 3.025 121.776 118.700 0.086 0.000 2.329 420 N HA 0.600 5.340 4.740 0.001 0.000 0.282 420 N C -1.209 174.363 175.510 0.104 0.000 1.198 420 N CA -0.813 52.306 53.050 0.115 0.000 0.790 420 N CB 2.218 40.826 38.487 0.202 0.000 1.579 420 N HN 0.599 nan 8.380 nan 0.000 0.475 421 R N 2.006 122.552 120.500 0.078 0.000 2.480 421 R HA 0.516 4.856 4.340 0.001 0.000 0.306 421 R C -0.523 175.789 176.300 0.021 0.000 0.958 421 R CA -0.883 55.246 56.100 0.049 0.000 0.861 421 R CB 1.349 31.668 30.300 0.031 0.000 1.171 421 R HN 0.464 nan 8.270 nan 0.000 0.445 422 I N 3.922 124.494 120.570 0.003 0.000 2.575 422 I HA 0.201 4.371 4.170 0.001 0.000 0.285 422 I C 0.626 176.720 176.117 -0.037 0.000 1.085 422 I CA -0.247 61.021 61.300 -0.054 0.000 1.403 422 I CB 1.065 39.022 38.000 -0.072 0.000 1.409 422 I HN 0.408 nan 8.210 nan 0.000 0.557 423 V N 2.376 122.260 119.914 -0.050 0.000 3.040 423 V HA 0.732 4.852 4.120 0.001 0.000 0.312 423 V C 0.051 176.123 176.094 -0.037 0.000 1.115 423 V CA -0.872 61.408 62.300 -0.032 0.000 0.998 423 V CB 1.551 33.362 31.823 -0.019 0.000 1.042 423 V HN 0.839 nan 8.190 nan 0.000 0.433 424 S N 0.658 116.344 115.700 -0.024 0.000 2.624 424 S HA 0.328 4.798 4.470 0.001 0.000 0.263 424 S C 0.771 175.362 174.600 -0.014 0.000 1.287 424 S CA 0.236 58.423 58.200 -0.020 0.000 0.990 424 S CB 0.809 64.002 63.200 -0.012 0.000 0.950 424 S HN 0.864 nan 8.310 nan 0.000 0.561 425 E N 0.390 120.584 120.200 -0.009 0.000 2.085 425 E HA -0.228 4.123 4.350 0.001 0.000 0.194 425 E C 1.841 178.441 176.600 -0.001 0.000 0.994 425 E CA 1.597 57.996 56.400 -0.002 0.000 0.801 425 E CB -0.172 29.532 29.700 0.006 0.000 0.743 425 E HN 0.825 nan 8.360 nan 0.000 0.453 426 E N 0.510 120.709 120.200 -0.001 0.000 2.051 426 E HA -0.141 4.210 4.350 0.001 0.000 0.192 426 E C 2.014 178.613 176.600 -0.001 0.000 0.991 426 E CA 1.833 58.233 56.400 -0.000 0.000 0.799 426 E CB -0.342 29.358 29.700 -0.000 0.000 0.748 426 E HN 0.047 nan 8.360 nan 0.000 0.449 427 T N 0.155 114.707 114.554 -0.003 0.000 2.720 427 T HA -0.133 4.218 4.350 0.001 0.000 0.268 427 T C 1.737 176.435 174.700 -0.002 0.000 1.037 427 T CA 1.555 63.654 62.100 -0.003 0.000 1.144 427 T CB -0.494 68.371 68.868 -0.005 0.000 0.864 427 T HN 0.354 nan 8.240 nan 0.000 0.444 428 A N 1.731 124.549 122.820 -0.004 0.000 2.119 428 A HA 0.018 4.338 4.320 0.001 0.000 0.217 428 A C 1.311 178.895 177.584 -0.001 0.000 1.153 428 A CA 0.636 52.672 52.037 -0.002 0.000 0.692 428 A CB -0.399 18.598 19.000 -0.004 0.000 0.799 428 A HN 0.699 nan 8.150 nan 0.000 0.458 429 K N 0.000 120.400 120.400 -0.000 0.000 2.780 429 K HA 0.000 4.320 4.320 0.001 0.000 0.191 429 K CA 0.000 56.287 56.287 0.000 0.000 0.838 429 K CB 0.000 32.500 32.500 0.000 0.000 1.064 429 K HN 0.000 nan 8.250 nan 0.000 0.543