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 3hbu_1_P DATA FIRST_RESID 18 DATA SEQUENCE ANTSSAYNSV YDFLRYHDRG DGLTVNGKTS YSIDQAAAQI TRENVSWNGT DATA SEQUENCE NVFGKSANLT FKFLQSVSSI PSGDTGFVKF NAEQIEQAKL SLQSWSDVAN DATA SEQUENCE LTFTEVTGNK SANITFGNYT RDASGNLDYG TQAYAYYPGN YQGAGSSWYN DATA SEQUENCE YNQSNIRNPG SEEYGRQTFT HEIGHALGLA HPGEYNAGEG DPSYNDAVYA DATA SEQUENCE EDSYQFSIHS YWGENETGAD YNGHYGGAPM IDDIAAIQRL YGANMTTRTG DATA SEQUENCE DSVYGFNSNT DRDFYTATDS SKALIFSVWD AGGTDTFDFS GYSNNQRINL DATA SEQUENCE NEGSFSDVGG LKGNVSIAHG VTIENAIGGS GNDILVGNSA DNILQGGAGN DATA SEQUENCE DVLYGGAGAD TLYGGAGRDT FVYGSGQDST VAAYDWIADF QKGIDKIDLS DATA SEQUENCE AFRNEGQLSF VQDQFTGKGQ EVMLQWDAAN SITNLWLHEA GHSSVDFLVR DATA SEQUENCE IVGQAAQSDI IV 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.569 177.584 -0.025 0.000 1.274 18 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 18 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 19 N N 2.749 121.442 118.700 -0.012 0.000 2.400 19 N HA 0.244 4.984 4.740 -0.001 0.000 0.278 19 N C 0.499 176.011 175.510 0.003 0.000 1.247 19 N CA 1.346 54.395 53.050 -0.001 0.000 0.970 19 N CB 0.258 38.749 38.487 0.006 0.000 1.312 19 N HN 0.553 nan 8.380 nan 0.000 0.488 20 T N -0.080 114.483 114.554 0.014 0.000 2.927 20 T HA 0.477 4.826 4.350 -0.001 0.000 0.281 20 T C 0.692 175.446 174.700 0.090 0.000 0.998 20 T CA -0.965 61.157 62.100 0.037 0.000 1.019 20 T CB 0.826 69.732 68.868 0.064 0.000 1.061 20 T HN 0.426 nan 8.240 nan 0.000 0.518 21 S N 0.586 116.358 115.700 0.120 0.000 2.608 21 S HA 0.174 4.643 4.470 -0.001 0.000 0.261 21 S C 1.668 176.345 174.600 0.129 0.000 1.314 21 S CA -0.129 58.142 58.200 0.118 0.000 0.992 21 S CB 0.436 63.713 63.200 0.129 0.000 0.935 21 S HN 1.054 nan 8.310 nan 0.000 0.564 22 S N 0.840 116.592 115.700 0.088 0.000 2.402 22 S HA -0.018 4.452 4.470 -0.001 0.000 0.229 22 S C 1.958 176.598 174.600 0.067 0.000 1.021 22 S CA 0.594 58.832 58.200 0.063 0.000 0.974 22 S CB -1.167 62.056 63.200 0.039 0.000 0.800 22 S HN 1.094 nan 8.310 nan 0.000 0.484 23 A N 0.861 123.737 122.820 0.094 0.000 1.897 23 A HA 0.040 4.359 4.320 -0.001 0.000 0.215 23 A C 2.051 179.707 177.584 0.121 0.000 1.181 23 A CA 1.323 53.415 52.037 0.092 0.000 0.620 23 A CB -1.189 17.875 19.000 0.105 0.000 0.821 23 A HN 0.630 nan 8.150 nan 0.000 0.443 24 Y N 1.585 121.926 120.300 0.067 0.000 2.181 24 Y HA -0.214 4.336 4.550 -0.001 0.000 0.288 24 Y C 2.091 178.028 175.900 0.062 0.000 1.146 24 Y CA 2.015 60.158 58.100 0.071 0.000 1.164 24 Y CB -0.287 38.222 38.460 0.082 0.000 0.982 24 Y HN 0.323 nan 8.280 nan 0.000 0.515 25 N N 0.057 118.766 118.700 0.016 0.000 2.149 25 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 25 N C 2.127 177.604 175.510 -0.054 0.000 1.019 25 N CA 1.732 54.749 53.050 -0.056 0.000 0.857 25 N CB -0.771 37.725 38.487 0.016 0.000 0.997 25 N HN 0.573 nan 8.380 nan 0.000 0.426 26 S N -0.237 115.441 115.700 -0.038 0.000 2.406 26 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 26 S C 2.109 176.694 174.600 -0.025 0.000 1.020 26 S CA 0.747 58.930 58.200 -0.028 0.000 0.965 26 S CB -0.567 62.612 63.200 -0.035 0.000 0.798 26 S HN 0.035 nan 8.310 nan 0.000 0.488 27 V N 0.745 120.596 119.914 -0.106 0.000 2.270 27 V HA -0.112 4.008 4.120 -0.001 0.000 0.245 27 V C 2.228 178.177 176.094 -0.241 0.000 1.043 27 V CA 1.986 64.177 62.300 -0.181 0.000 1.014 27 V CB -1.126 30.464 31.823 -0.389 0.000 0.645 27 V HN 0.587 nan 8.190 nan 0.000 0.447 28 Y N 1.442 121.441 120.300 -0.502 0.000 2.114 28 Y HA -0.313 4.237 4.550 -0.001 0.000 0.282 28 Y C 2.433 178.228 175.900 -0.176 0.000 1.165 28 Y CA 2.303 60.156 58.100 -0.411 0.000 1.148 28 Y CB -0.226 37.934 38.460 -0.501 0.000 0.972 28 Y HN 0.327 nan 8.280 nan 0.000 0.504 29 D N -0.553 119.909 120.400 0.105 0.000 2.117 29 D HA -0.190 4.450 4.640 -0.001 0.000 0.198 29 D C 1.910 178.267 176.300 0.095 0.000 0.982 29 D CA 1.284 55.350 54.000 0.110 0.000 0.828 29 D CB -0.739 40.124 40.800 0.106 0.000 0.967 29 D HN 0.396 nan 8.370 nan 0.000 0.464 30 F N 1.274 121.171 119.950 -0.087 0.000 2.234 30 F HA -0.013 4.513 4.527 -0.001 0.000 0.299 30 F C 1.972 177.772 175.800 0.000 0.000 1.087 30 F CA 0.652 58.605 58.000 -0.079 0.000 1.340 30 F CB -0.398 38.532 39.000 -0.117 0.000 1.031 30 F HN -0.118 nan 8.300 nan 0.000 0.500 31 L N -0.180 120.916 121.223 -0.211 0.000 2.187 31 L HA -0.174 4.165 4.340 -0.001 0.000 0.213 31 L C 1.896 178.659 176.870 -0.179 0.000 1.100 31 L CA 1.347 56.019 54.840 -0.281 0.000 0.765 31 L CB -0.360 41.517 42.059 -0.303 0.000 0.904 31 L HN 0.006 nan 8.230 nan 0.000 0.437 32 R N -1.931 118.500 120.500 -0.115 0.000 2.427 32 R HA 0.050 4.389 4.340 -0.001 0.000 0.262 32 R C -0.319 176.039 176.300 0.097 0.000 0.943 32 R CA -0.430 55.649 56.100 -0.034 0.000 1.081 32 R CB 0.165 30.416 30.300 -0.082 0.000 1.166 32 R HN 0.013 nan 8.270 nan 0.000 0.534 33 Y N 2.316 122.598 120.300 -0.030 0.000 2.802 33 Y HA -0.194 4.355 4.550 -0.001 0.000 0.333 33 Y C 0.551 176.521 175.900 0.117 0.000 1.244 33 Y CA 0.425 58.542 58.100 0.028 0.000 1.558 33 Y CB -0.223 38.310 38.460 0.121 0.000 1.233 33 Y HN 0.332 nan 8.280 nan 0.000 0.547 34 H N 2.694 121.710 119.070 -0.090 0.000 2.820 34 H HA -0.247 4.309 4.556 -0.001 0.000 0.295 34 H C -0.113 175.248 175.328 0.055 0.000 1.187 34 H CA 0.772 56.753 56.048 -0.112 0.000 1.144 34 H CB -1.146 28.420 29.762 -0.327 0.000 1.354 34 H HN 0.653 nan 8.280 nan 0.000 0.395 35 D N 1.216 121.695 120.400 0.132 0.000 2.548 35 D HA 0.099 4.738 4.640 -0.001 0.000 0.231 35 D C 1.219 177.592 176.300 0.121 0.000 1.142 35 D CA 0.704 54.774 54.000 0.117 0.000 0.866 35 D CB 0.593 41.435 40.800 0.070 0.000 1.190 35 D HN 0.555 nan 8.370 nan 0.000 0.469 36 R N 0.539 121.109 120.500 0.117 0.000 2.739 36 R HA 0.669 5.009 4.340 -0.001 0.000 0.271 36 R C 0.372 176.719 176.300 0.078 0.000 1.010 36 R CA -0.697 55.461 56.100 0.097 0.000 0.897 36 R CB 0.985 31.350 30.300 0.109 0.000 1.236 36 R HN 0.531 nan 8.270 nan 0.000 0.466 37 G N 1.230 110.075 108.800 0.076 0.000 2.598 37 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.244 37 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.244 37 G C -0.613 174.315 174.900 0.047 0.000 1.302 37 G CA 0.455 45.591 45.100 0.060 0.000 0.903 37 G HN 1.029 nan 8.290 nan 0.000 0.575 38 D N -1.157 119.260 120.400 0.028 0.000 2.772 38 D HA 0.171 4.810 4.640 -0.001 0.000 0.233 38 D C 1.792 178.110 176.300 0.030 0.000 1.143 38 D CA 2.875 56.890 54.000 0.025 0.000 0.700 38 D CB -1.326 39.491 40.800 0.029 0.000 1.076 38 D HN 2.456 nan 8.370 nan 0.000 0.430 39 G N -1.519 107.301 108.800 0.034 0.000 2.168 39 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.263 39 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.263 39 G C 0.444 175.368 174.900 0.040 0.000 0.977 39 G CA 0.412 45.533 45.100 0.035 0.000 0.659 39 G HN 0.557 nan 8.290 nan 0.000 0.533 40 L N 0.857 122.108 121.223 0.046 0.000 2.464 40 L HA 0.540 4.879 4.340 -0.001 0.000 0.264 40 L C 1.126 178.023 176.870 0.045 0.000 1.199 40 L CA 0.577 55.444 54.840 0.045 0.000 0.818 40 L CB 0.904 42.992 42.059 0.049 0.000 1.102 40 L HN 0.373 nan 8.230 nan 0.000 0.473 41 T N -0.745 113.831 114.554 0.036 0.000 2.864 41 T HA 0.579 4.928 4.350 -0.001 0.000 0.299 41 T C -0.626 174.091 174.700 0.027 0.000 1.011 41 T CA -0.697 61.421 62.100 0.029 0.000 0.975 41 T CB 1.061 69.942 68.868 0.021 0.000 0.962 41 T HN 0.163 nan 8.240 nan 0.000 0.448 42 V N 4.399 124.329 119.914 0.028 0.000 2.398 42 V HA 0.432 4.552 4.120 -0.001 0.000 0.286 42 V C 0.246 176.363 176.094 0.038 0.000 1.026 42 V CA -0.877 61.443 62.300 0.034 0.000 0.868 42 V CB 0.886 32.735 31.823 0.044 0.000 0.982 42 V HN 1.042 nan 8.190 nan 0.000 0.443 43 N N 3.710 122.435 118.700 0.042 0.000 2.741 43 N HA -0.204 4.536 4.740 -0.001 0.000 0.250 43 N C 1.138 176.662 175.510 0.024 0.000 1.115 43 N CA 1.512 54.597 53.050 0.058 0.000 0.724 43 N CB -1.287 37.292 38.487 0.153 0.000 1.090 43 N HN 1.551 nan 8.380 nan 0.000 0.558 44 G N -1.305 107.498 108.800 0.006 0.000 2.162 44 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.260 44 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.260 44 G C 0.030 174.912 174.900 -0.030 0.000 0.976 44 G CA 1.125 46.218 45.100 -0.011 0.000 0.655 44 G HN 0.572 nan 8.290 nan 0.000 0.533 45 K N 0.247 120.625 120.400 -0.036 0.000 2.221 45 K HA 0.584 4.903 4.320 -0.001 0.000 0.243 45 K C 0.222 176.807 176.600 -0.024 0.000 0.968 45 K CA -0.604 55.646 56.287 -0.061 0.000 0.846 45 K CB 1.241 33.661 32.500 -0.135 0.000 1.141 45 K HN 0.053 nan 8.250 nan 0.000 0.434 46 T N 0.989 115.534 114.554 -0.016 0.000 2.928 46 T HA -0.017 4.333 4.350 -0.001 0.000 0.305 46 T C 0.240 174.970 174.700 0.049 0.000 1.035 46 T CA 0.168 62.290 62.100 0.037 0.000 1.145 46 T CB 0.666 69.584 68.868 0.084 0.000 0.963 46 T HN 0.402 nan 8.240 nan 0.000 0.545 47 S N 2.245 118.007 115.700 0.103 0.000 2.457 47 S HA 0.427 4.896 4.470 -0.001 0.000 0.289 47 S C -1.010 173.749 174.600 0.265 0.000 1.163 47 S CA -0.724 57.551 58.200 0.125 0.000 1.078 47 S CB -0.012 63.237 63.200 0.082 0.000 0.987 47 S HN 0.455 nan 8.310 nan 0.000 0.482 48 Y N 2.849 123.158 120.300 0.014 0.000 2.334 48 Y HA 0.362 4.912 4.550 -0.001 0.000 0.328 48 Y C 1.152 177.005 175.900 -0.078 0.000 1.130 48 Y CA -1.549 56.485 58.100 -0.109 0.000 1.163 48 Y CB 1.274 39.499 38.460 -0.391 0.000 1.207 48 Y HN 0.780 nan 8.280 nan 0.000 0.471 49 S N 2.109 117.821 115.700 0.020 0.000 2.608 49 S HA 0.223 4.692 4.470 -0.001 0.000 0.261 49 S C 1.435 176.043 174.600 0.013 0.000 1.314 49 S CA -0.567 57.637 58.200 0.006 0.000 0.992 49 S CB 0.424 63.593 63.200 -0.050 0.000 0.935 49 S HN 0.613 nan 8.310 nan 0.000 0.564 50 I N 0.650 121.250 120.570 0.049 0.000 2.145 50 I HA -0.249 3.921 4.170 -0.001 0.000 0.244 50 I C 1.959 178.077 176.117 0.003 0.000 1.075 50 I CA 1.869 63.218 61.300 0.081 0.000 1.332 50 I CB -0.533 37.509 38.000 0.071 0.000 1.033 50 I HN 0.645 nan 8.210 nan 0.000 0.410 51 D N 0.203 120.555 120.400 -0.080 0.000 2.123 51 D HA -0.154 4.486 4.640 -0.001 0.000 0.200 51 D C 2.275 178.469 176.300 -0.176 0.000 0.976 51 D CA 1.053 54.981 54.000 -0.121 0.000 0.831 51 D CB -0.238 40.472 40.800 -0.150 0.000 0.974 51 D HN 0.403 nan 8.370 nan 0.000 0.469 52 Q N 0.264 119.908 119.800 -0.260 0.000 2.124 52 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 52 Q C 2.105 177.825 176.000 -0.467 0.000 0.977 52 Q CA 1.425 56.931 55.803 -0.496 0.000 0.850 52 Q CB -0.045 28.214 28.738 -0.798 0.000 0.901 52 Q HN 0.208 nan 8.270 nan 0.000 0.429 53 A N 0.699 123.380 122.820 -0.231 0.000 1.898 53 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 53 A C 2.242 179.833 177.584 0.010 0.000 1.181 53 A CA 1.411 53.394 52.037 -0.090 0.000 0.620 53 A CB -0.709 18.355 19.000 0.107 0.000 0.819 53 A HN 0.397 nan 8.150 nan 0.000 0.442 54 A N -0.018 122.803 122.820 0.002 0.000 1.902 54 A HA 0.170 4.490 4.320 -0.001 0.000 0.217 54 A C 2.497 180.067 177.584 -0.023 0.000 1.181 54 A CA 2.035 54.085 52.037 0.022 0.000 0.623 54 A CB -1.008 18.000 19.000 0.015 0.000 0.818 54 A HN 1.033 nan 8.150 nan 0.000 0.443 55 A N -0.901 121.865 122.820 -0.090 0.000 1.933 55 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 55 A C 2.146 179.691 177.584 -0.065 0.000 1.175 55 A CA 2.112 54.087 52.037 -0.104 0.000 0.628 55 A CB -0.486 18.415 19.000 -0.165 0.000 0.814 55 A HN 0.562 nan 8.150 nan 0.000 0.444 56 Q N 0.166 119.932 119.800 -0.057 0.000 2.084 56 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 56 Q C 1.672 177.708 176.000 0.059 0.000 0.978 56 Q CA 1.914 57.732 55.803 0.024 0.000 0.844 56 Q CB -0.476 28.321 28.738 0.098 0.000 0.898 56 Q HN 0.668 nan 8.270 nan 0.000 0.426 57 I N 0.100 120.715 120.570 0.075 0.000 2.394 57 I HA -0.165 4.005 4.170 -0.001 0.000 0.251 57 I C 1.421 177.541 176.117 0.005 0.000 1.136 57 I CA 1.528 62.874 61.300 0.076 0.000 1.425 57 I CB -0.220 37.843 38.000 0.105 0.000 1.079 57 I HN 0.332 nan 8.210 nan 0.000 0.425 58 T N -1.789 112.759 114.554 -0.011 0.000 3.244 58 T HA 0.107 4.457 4.350 -0.001 0.000 0.254 58 T C 1.587 176.255 174.700 -0.054 0.000 1.024 58 T CA -0.537 61.539 62.100 -0.040 0.000 0.920 58 T CB -0.353 68.516 68.868 0.003 0.000 1.042 58 T HN 0.416 nan 8.240 nan 0.000 0.572 59 R N 1.091 121.559 120.500 -0.053 0.000 2.193 59 R HA -0.032 4.308 4.340 -0.001 0.000 0.229 59 R C 1.408 177.649 176.300 -0.099 0.000 1.110 59 R CA 1.017 57.084 56.100 -0.054 0.000 0.988 59 R CB -0.430 29.852 30.300 -0.030 0.000 0.871 59 R HN 0.238 nan 8.270 nan 0.000 0.458 60 E N 1.371 121.461 120.200 -0.184 0.000 2.265 60 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 60 E C 0.025 176.492 176.600 -0.220 0.000 0.996 60 E CA 0.370 56.606 56.400 -0.273 0.000 0.832 60 E CB -0.361 28.993 29.700 -0.577 0.000 0.756 60 E HN 0.377 nan 8.360 nan 0.000 0.491 61 N N -0.083 118.519 118.700 -0.163 0.000 2.725 61 N HA -0.182 4.558 4.740 -0.001 0.000 0.251 61 N C -0.921 174.448 175.510 -0.234 0.000 1.031 61 N CA 0.673 53.642 53.050 -0.135 0.000 0.720 61 N CB -1.346 37.099 38.487 -0.069 0.000 0.930 61 N HN 0.057 nan 8.380 nan 0.000 0.543 62 V N -0.144 119.602 119.914 -0.280 0.000 2.709 62 V HA 0.803 4.923 4.120 -0.001 0.000 0.308 62 V C -0.143 175.766 176.094 -0.308 0.000 1.062 62 V CA 0.133 62.253 62.300 -0.299 0.000 0.901 62 V CB 2.190 33.822 31.823 -0.318 0.000 1.003 62 V HN 0.473 nan 8.190 nan 0.000 0.425 63 S N 3.906 119.427 115.700 -0.299 0.000 2.720 63 S HA 0.466 4.936 4.470 -0.001 0.000 0.287 63 S C -0.149 174.350 174.600 -0.168 0.000 1.168 63 S CA -0.603 57.450 58.200 -0.246 0.000 0.832 63 S CB 1.160 64.109 63.200 -0.418 0.000 1.166 63 S HN 0.712 nan 8.310 nan 0.000 0.493 64 W N 1.002 122.398 121.300 0.160 0.000 2.611 64 W HA 0.167 4.826 4.660 -0.001 0.000 0.251 64 W C 1.570 178.123 176.519 0.056 0.000 1.265 64 W CA 0.180 57.592 57.345 0.113 0.000 1.295 64 W CB -0.119 29.418 29.460 0.127 0.000 1.129 64 W HN 0.603 nan 8.180 nan 0.000 0.630 65 N N -0.556 118.259 118.700 0.193 0.000 2.336 65 N HA 0.209 4.949 4.740 -0.001 0.000 0.189 65 N C 0.860 176.358 175.510 -0.020 0.000 1.113 65 N CA 1.252 54.351 53.050 0.082 0.000 0.858 65 N CB 0.668 39.178 38.487 0.039 0.000 0.970 65 N HN 0.164 nan 8.380 nan 0.000 0.471 66 G N 0.026 108.784 108.800 -0.070 0.000 2.280 66 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.277 66 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.277 66 G C -0.849 173.938 174.900 -0.189 0.000 1.288 66 G CA -0.327 44.707 45.100 -0.110 0.000 1.075 66 G HN 0.198 nan 8.290 nan 0.000 0.480 67 T N -2.227 112.216 114.554 -0.185 0.000 2.829 67 T HA 0.567 4.917 4.350 -0.001 0.000 0.282 67 T C 0.472 174.992 174.700 -0.299 0.000 0.990 67 T CA 0.596 62.561 62.100 -0.225 0.000 1.028 67 T CB 1.153 69.929 68.868 -0.154 0.000 0.951 67 T HN 1.714 nan 8.240 nan 0.000 0.460 68 N N -0.225 118.217 118.700 -0.430 0.000 2.727 68 N HA -0.119 4.620 4.740 -0.001 0.000 0.249 68 N C -0.771 174.236 175.510 -0.839 0.000 1.048 68 N CA 0.425 53.092 53.050 -0.639 0.000 0.714 68 N CB -1.362 37.009 38.487 -0.192 0.000 0.959 68 N HN 0.564 nan 8.380 nan 0.000 0.544 69 V N 1.210 120.585 119.914 -0.899 0.000 2.334 69 V HA 0.517 4.637 4.120 -0.001 0.000 0.281 69 V C -0.043 175.624 176.094 -0.712 0.000 1.016 69 V CA -0.410 61.531 62.300 -0.599 0.000 0.832 69 V CB 0.349 31.982 31.823 -0.317 0.000 0.999 69 V HN 0.145 nan 8.190 nan 0.000 0.439 70 F N 1.581 121.476 119.950 -0.092 0.000 2.522 70 F HA 0.697 5.224 4.527 -0.001 0.000 0.324 70 F C 1.197 176.958 175.800 -0.065 0.000 1.077 70 F CA -0.184 57.755 58.000 -0.101 0.000 0.944 70 F CB 2.075 41.028 39.000 -0.078 0.000 1.175 70 F HN 0.659 nan 8.300 nan 0.000 0.468 71 G N 1.881 110.764 108.800 0.139 0.000 2.179 71 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.257 71 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.257 71 G C -0.234 174.712 174.900 0.078 0.000 1.010 71 G CA 0.095 45.254 45.100 0.098 0.000 0.736 71 G HN 0.620 nan 8.290 nan 0.000 0.513 72 K N 0.803 121.236 120.400 0.054 0.000 2.274 72 K HA 0.578 4.897 4.320 -0.001 0.000 0.262 72 K C 1.073 177.771 176.600 0.162 0.000 0.961 72 K CA -0.020 56.312 56.287 0.075 0.000 0.833 72 K CB 0.914 33.435 32.500 0.035 0.000 1.102 72 K HN 0.373 nan 8.250 nan 0.000 0.436 73 S N 2.256 118.041 115.700 0.141 0.000 2.596 73 S HA 0.535 5.005 4.470 -0.001 0.000 0.260 73 S C -0.144 174.541 174.600 0.142 0.000 1.336 73 S CA -0.677 57.610 58.200 0.145 0.000 0.993 73 S CB 1.264 64.502 63.200 0.062 0.000 0.923 73 S HN 0.667 nan 8.310 nan 0.000 0.567 74 A N 1.136 123.970 122.820 0.025 0.000 2.486 74 A HA 0.653 4.972 4.320 -0.001 0.000 0.300 74 A C -1.013 176.456 177.584 -0.193 0.000 1.048 74 A CA -1.095 50.912 52.037 -0.050 0.000 0.696 74 A CB 0.926 19.915 19.000 -0.019 0.000 1.278 74 A HN 0.887 nan 8.150 nan 0.000 0.405 75 N N 1.087 119.691 118.700 -0.160 0.000 2.469 75 N HA 0.590 5.330 4.740 -0.001 0.000 0.253 75 N C -1.098 174.277 175.510 -0.225 0.000 0.970 75 N CA -0.235 52.701 53.050 -0.191 0.000 0.940 75 N CB 1.312 39.731 38.487 -0.112 0.000 1.128 75 N HN 0.556 nan 8.380 nan 0.000 0.503 76 L N 1.079 122.127 121.223 -0.292 0.000 2.333 76 L HA 0.624 4.964 4.340 -0.001 0.000 0.269 76 L C 0.421 177.241 176.870 -0.082 0.000 1.010 76 L CA -0.971 53.698 54.840 -0.285 0.000 0.818 76 L CB 1.917 43.750 42.059 -0.377 0.000 1.306 76 L HN 0.446 nan 8.230 nan 0.000 0.430 77 T N -1.230 113.249 114.554 -0.124 0.000 2.925 77 T HA 0.757 5.106 4.350 -0.001 0.000 0.285 77 T C -0.637 174.081 174.700 0.029 0.000 1.021 77 T CA -0.587 61.480 62.100 -0.056 0.000 1.042 77 T CB 1.604 70.378 68.868 -0.158 0.000 1.037 77 T HN 0.411 nan 8.240 nan 0.000 0.481 78 F N -1.144 118.730 119.950 -0.127 0.000 2.613 78 F HA 0.891 5.418 4.527 -0.001 0.000 0.314 78 F C -0.826 174.816 175.800 -0.264 0.000 1.075 78 F CA -1.317 56.559 58.000 -0.205 0.000 0.945 78 F CB 2.112 41.014 39.000 -0.163 0.000 1.310 78 F HN 0.834 nan 8.300 nan 0.000 0.467 79 K N 2.089 122.340 120.400 -0.249 0.000 2.543 79 K HA 0.488 4.808 4.320 -0.001 0.000 0.255 79 K C -2.290 174.110 176.600 -0.333 0.000 0.934 79 K CA -0.644 55.443 56.287 -0.333 0.000 0.810 79 K CB 1.691 34.065 32.500 -0.211 0.000 1.315 79 K HN 0.720 nan 8.250 nan 0.000 0.433 80 F N 5.017 124.975 119.950 0.012 0.000 2.375 80 F HA 0.294 4.820 4.527 -0.001 0.000 0.362 80 F C 0.385 176.191 175.800 0.010 0.000 1.129 80 F CA -0.803 57.176 58.000 -0.035 0.000 1.154 80 F CB 0.591 39.570 39.000 -0.035 0.000 1.205 80 F HN 0.187 nan 8.300 nan 0.000 0.513 81 L N 4.291 125.604 121.223 0.151 0.000 2.490 81 L HA 0.001 4.340 4.340 -0.001 0.000 0.274 81 L C 1.166 178.243 176.870 0.345 0.000 1.201 81 L CA -0.026 54.914 54.840 0.165 0.000 0.869 81 L CB 0.551 42.679 42.059 0.115 0.000 1.123 81 L HN 0.621 nan 8.230 nan 0.000 0.484 82 Q N 1.325 121.256 119.800 0.218 0.000 2.352 82 Q HA 0.139 4.479 4.340 -0.001 0.000 0.212 82 Q C 0.151 176.317 176.000 0.278 0.000 0.888 82 Q CA 0.252 56.217 55.803 0.269 0.000 0.934 82 Q CB 0.957 29.785 28.738 0.149 0.000 1.093 82 Q HN 0.832 nan 8.270 nan 0.000 0.523 83 S N -1.047 114.637 115.700 -0.027 0.000 2.595 83 S HA 0.662 5.132 4.470 -0.001 0.000 0.270 83 S C -0.744 173.528 174.600 -0.547 0.000 1.145 83 S CA -0.571 57.472 58.200 -0.263 0.000 0.825 83 S CB 1.608 64.776 63.200 -0.052 0.000 1.107 83 S HN 0.074 nan 8.310 nan 0.000 0.461 84 V N -1.043 118.545 119.914 -0.543 0.000 3.114 84 V HA 0.831 4.951 4.120 -0.001 0.000 0.308 84 V C 0.792 176.786 176.094 -0.166 0.000 1.168 84 V CA -0.121 61.975 62.300 -0.339 0.000 1.015 84 V CB 1.251 32.854 31.823 -0.367 0.000 1.050 84 V HN 1.447 nan 8.190 nan 0.000 0.433 85 S N 1.077 116.718 115.700 -0.100 0.000 2.421 85 S HA 0.294 4.763 4.470 -0.001 0.000 0.224 85 S C 0.819 175.385 174.600 -0.057 0.000 1.035 85 S CA 0.605 58.768 58.200 -0.061 0.000 0.953 85 S CB -0.351 62.821 63.200 -0.045 0.000 0.810 85 S HN 2.095 nan 8.310 nan 0.000 0.497 86 S N -0.111 115.546 115.700 -0.071 0.000 2.588 86 S HA 0.668 5.137 4.470 -0.001 0.000 0.269 86 S C -1.246 173.270 174.600 -0.140 0.000 1.157 86 S CA -1.178 56.971 58.200 -0.085 0.000 0.824 86 S CB 0.673 63.828 63.200 -0.076 0.000 1.126 86 S HN 0.283 nan 8.310 nan 0.000 0.464 87 I N 1.780 122.213 120.570 -0.228 0.000 2.359 87 I HA 0.357 4.527 4.170 -0.001 0.000 0.294 87 I C -1.720 174.166 176.117 -0.384 0.000 0.987 87 I CA -2.631 58.364 61.300 -0.509 0.000 1.225 87 I CB 1.959 39.559 38.000 -0.666 0.000 1.366 87 I HN 0.506 nan 8.210 nan 0.000 0.466 88 P HA -0.148 nan 4.420 nan 0.000 0.219 88 P C 1.352 178.547 177.300 -0.174 0.000 1.146 88 P CA 1.028 63.971 63.100 -0.261 0.000 0.808 88 P CB 0.130 31.571 31.700 -0.433 0.000 0.779 89 S N -2.159 113.435 115.700 -0.177 0.000 2.489 89 S HA 0.197 4.666 4.470 -0.001 0.000 0.228 89 S C 1.803 176.284 174.600 -0.199 0.000 0.995 89 S CA 0.791 58.885 58.200 -0.177 0.000 0.934 89 S CB -1.041 61.929 63.200 -0.384 0.000 0.771 89 S HN 0.289 nan 8.310 nan 0.000 0.522 90 G N 0.839 109.526 108.800 -0.189 0.000 2.213 90 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.236 90 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.236 90 G C -0.259 174.563 174.900 -0.130 0.000 0.991 90 G CA 0.050 45.066 45.100 -0.139 0.000 0.629 90 G HN 0.529 nan 8.290 nan 0.000 0.517 91 D N 1.353 121.643 120.400 -0.183 0.000 2.362 91 D HA 0.520 5.159 4.640 -0.001 0.000 0.238 91 D C 1.216 177.496 176.300 -0.034 0.000 1.212 91 D CA 1.411 55.337 54.000 -0.125 0.000 0.902 91 D CB 1.118 41.747 40.800 -0.285 0.000 1.180 91 D HN 0.634 nan 8.370 nan 0.000 0.445 92 T N -4.101 110.501 114.554 0.079 0.000 2.669 92 T HA 0.577 4.927 4.350 -0.001 0.000 0.283 92 T C 0.617 175.441 174.700 0.207 0.000 1.019 92 T CA -0.364 61.806 62.100 0.116 0.000 1.039 92 T CB 1.441 70.357 68.868 0.080 0.000 1.374 92 T HN 0.556 nan 8.240 nan 0.000 0.523 93 G N 0.598 109.514 108.800 0.192 0.000 2.289 93 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.280 93 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.280 93 G C -0.229 174.815 174.900 0.240 0.000 1.089 93 G CA -0.118 45.099 45.100 0.196 0.000 0.939 93 G HN 1.125 nan 8.290 nan 0.000 0.499 94 F N 0.328 120.367 119.950 0.148 0.000 2.602 94 F HA 0.445 4.972 4.527 -0.000 0.000 0.367 94 F C 0.349 176.215 175.800 0.109 0.000 1.126 94 F CA 0.294 58.404 58.000 0.183 0.000 1.321 94 F CB 0.828 39.938 39.000 0.184 0.000 1.094 94 F HN 0.169 nan 8.300 nan 0.000 0.594 95 V N 6.507 125.873 119.914 -0.915 0.000 2.623 95 V HA 0.243 4.363 4.120 -0.001 0.000 0.304 95 V C -0.501 174.879 176.094 -1.190 0.000 1.054 95 V CA -1.283 60.459 62.300 -0.931 0.000 0.882 95 V CB 1.822 33.164 31.823 -0.802 0.000 1.002 95 V HN 0.807 nan 8.190 nan 0.000 0.424 96 K N 3.674 123.583 120.400 -0.818 0.000 2.180 96 K HA 0.396 4.715 4.320 -0.001 0.000 0.251 96 K C -0.298 176.293 176.600 -0.015 0.000 1.014 96 K CA -0.365 55.771 56.287 -0.251 0.000 0.913 96 K CB 0.801 33.354 32.500 0.089 0.000 1.008 96 K HN 0.419 nan 8.250 nan 0.000 0.490 97 F N 2.057 121.968 119.950 -0.065 0.000 2.572 97 F HA -0.087 4.440 4.527 -0.000 0.000 0.370 97 F C 1.190 176.926 175.800 -0.106 0.000 1.103 97 F CA -0.574 57.383 58.000 -0.072 0.000 1.286 97 F CB 0.492 39.428 39.000 -0.106 0.000 1.105 97 F HN 0.780 nan 8.300 nan 0.000 0.583 98 N N 2.710 121.395 118.700 -0.024 0.000 2.413 98 N HA 0.308 5.047 4.740 -0.001 0.000 0.266 98 N C 0.463 175.913 175.510 -0.101 0.000 1.238 98 N CA -0.088 52.942 53.050 -0.033 0.000 0.972 98 N CB 0.541 39.048 38.487 0.032 0.000 1.210 98 N HN 0.545 nan 8.380 nan 0.000 0.547 99 A N -0.494 122.275 122.820 -0.084 0.000 1.933 99 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 99 A C 1.985 179.499 177.584 -0.117 0.000 1.175 99 A CA 1.721 53.694 52.037 -0.106 0.000 0.628 99 A CB -1.103 17.856 19.000 -0.069 0.000 0.814 99 A HN 0.904 nan 8.150 nan 0.000 0.444 100 E N -0.371 119.767 120.200 -0.103 0.000 2.072 100 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 100 E C 2.156 178.690 176.600 -0.109 0.000 0.985 100 E CA 1.197 57.537 56.400 -0.100 0.000 0.801 100 E CB -0.162 29.477 29.700 -0.102 0.000 0.750 100 E HN 0.758 nan 8.360 nan 0.000 0.452 101 Q N 0.186 119.884 119.800 -0.169 0.000 2.124 101 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 101 Q C 2.331 178.266 176.000 -0.108 0.000 0.977 101 Q CA 1.419 57.107 55.803 -0.192 0.000 0.850 101 Q CB -0.083 28.179 28.738 -0.793 0.000 0.901 101 Q HN 0.417 nan 8.270 nan 0.000 0.429 102 I N 0.530 120.962 120.570 -0.230 0.000 2.179 102 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 102 I C 2.429 178.438 176.117 -0.180 0.000 1.088 102 I CA 1.065 62.086 61.300 -0.465 0.000 1.357 102 I CB -0.152 37.434 38.000 -0.690 0.000 1.051 102 I HN 0.183 nan 8.210 nan 0.000 0.409 103 E N 0.718 120.854 120.200 -0.107 0.000 2.077 103 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 103 E C 2.178 178.782 176.600 0.007 0.000 0.989 103 E CA 1.491 57.869 56.400 -0.036 0.000 0.800 103 E CB -0.082 29.597 29.700 -0.036 0.000 0.746 103 E HN 0.336 nan 8.360 nan 0.000 0.452 104 Q N -0.372 119.450 119.800 0.037 0.000 2.123 104 Q HA 0.009 4.349 4.340 -0.001 0.000 0.199 104 Q C 2.121 178.237 176.000 0.193 0.000 0.966 104 Q CA 1.312 57.173 55.803 0.097 0.000 0.845 104 Q CB -0.414 28.355 28.738 0.051 0.000 0.907 104 Q HN 0.367 nan 8.270 nan 0.000 0.439 105 A N 1.420 124.336 122.820 0.159 0.000 1.933 105 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 105 A C 2.080 179.572 177.584 -0.153 0.000 1.175 105 A CA 1.530 53.500 52.037 -0.111 0.000 0.628 105 A CB -0.290 18.324 19.000 -0.643 0.000 0.814 105 A HN 0.247 nan 8.150 nan 0.000 0.444 106 K N -0.352 120.004 120.400 -0.074 0.000 2.148 106 K HA 0.016 4.336 4.320 -0.001 0.000 0.204 106 K C 1.751 178.328 176.600 -0.038 0.000 1.050 106 K CA 1.163 57.398 56.287 -0.087 0.000 0.942 106 K CB -0.312 32.214 32.500 0.044 0.000 0.724 106 K HN 0.474 nan 8.250 nan 0.000 0.446 107 L N 0.329 121.562 121.223 0.016 0.000 2.093 107 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 107 L C 2.322 179.220 176.870 0.047 0.000 1.085 107 L CA 0.919 55.792 54.840 0.055 0.000 0.755 107 L CB -0.363 41.738 42.059 0.069 0.000 0.904 107 L HN 0.101 nan 8.230 nan 0.000 0.435 108 S N 0.231 115.952 115.700 0.034 0.000 2.356 108 S HA -0.132 4.337 4.470 -0.001 0.000 0.223 108 S C 2.001 176.627 174.600 0.044 0.000 1.032 108 S CA 1.195 59.410 58.200 0.026 0.000 1.005 108 S CB -0.289 63.003 63.200 0.153 0.000 0.867 108 S HN 0.266 nan 8.310 nan 0.000 0.449 109 L N 1.325 122.514 121.223 -0.056 0.000 2.042 109 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 109 L C 2.826 179.739 176.870 0.071 0.000 1.076 109 L CA 1.567 56.274 54.840 -0.222 0.000 0.749 109 L CB -0.520 41.107 42.059 -0.720 0.000 0.893 109 L HN 0.401 nan 8.230 nan 0.000 0.432 110 Q N -0.024 119.822 119.800 0.076 0.000 2.124 110 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 110 Q C 2.293 178.410 176.000 0.195 0.000 0.977 110 Q CA 2.053 57.959 55.803 0.172 0.000 0.850 110 Q CB -0.016 28.805 28.738 0.139 0.000 0.901 110 Q HN 0.591 nan 8.270 nan 0.000 0.429 111 S N -1.275 114.483 115.700 0.097 0.000 2.447 111 S HA -0.140 4.329 4.470 -0.001 0.000 0.233 111 S C 1.332 175.880 174.600 -0.087 0.000 1.006 111 S CA 0.726 58.909 58.200 -0.029 0.000 0.957 111 S CB -0.602 62.342 63.200 -0.427 0.000 0.773 111 S HN 0.587 nan 8.310 nan 0.000 0.507 112 W N 2.311 123.682 121.300 0.118 0.000 2.480 112 W HA 0.066 4.726 4.660 -0.001 0.000 0.299 112 W C 3.102 179.732 176.519 0.184 0.000 1.187 112 W CA 0.668 58.108 57.345 0.158 0.000 1.347 112 W CB -0.395 29.194 29.460 0.216 0.000 1.121 112 W HN 0.447 nan 8.180 nan 0.000 0.533 113 S N -0.415 115.583 115.700 0.498 0.000 2.447 113 S HA -0.175 4.295 4.470 -0.001 0.000 0.233 113 S C 1.247 175.983 174.600 0.226 0.000 1.006 113 S CA 1.471 59.852 58.200 0.300 0.000 0.957 113 S CB -0.485 62.895 63.200 0.300 0.000 0.773 113 S HN 0.103 nan 8.310 nan 0.000 0.507 114 D N 1.615 122.168 120.400 0.254 0.000 2.178 114 D HA -0.063 4.576 4.640 -0.001 0.000 0.201 114 D C 2.094 178.548 176.300 0.258 0.000 0.980 114 D CA 1.548 55.718 54.000 0.283 0.000 0.842 114 D CB -0.148 40.859 40.800 0.345 0.000 0.948 114 D HN 0.574 nan 8.370 nan 0.000 0.472 115 V N -3.038 116.937 119.914 0.101 0.000 3.431 115 V HA 0.557 4.677 4.120 -0.001 0.000 0.253 115 V C 0.679 176.585 176.094 -0.314 0.000 1.184 115 V CA 0.483 62.602 62.300 -0.301 0.000 1.104 115 V CB 0.128 31.801 31.823 -0.250 0.000 0.799 115 V HN 0.070 nan 8.190 nan 0.000 0.462 116 A N 0.421 123.233 122.820 -0.014 0.000 2.430 116 A HA 0.613 4.933 4.320 -0.001 0.000 0.300 116 A C -0.354 177.257 177.584 0.045 0.000 1.124 116 A CA -0.658 51.395 52.037 0.027 0.000 0.766 116 A CB 0.837 19.923 19.000 0.143 0.000 1.328 116 A HN 0.307 nan 8.150 nan 0.000 0.424 117 N N 0.276 119.012 118.700 0.061 0.000 3.050 117 N HA 0.419 5.159 4.740 -0.001 0.000 0.289 117 N C -1.249 174.219 175.510 -0.070 0.000 1.209 117 N CA 0.104 53.172 53.050 0.031 0.000 1.154 117 N CB -0.429 38.101 38.487 0.071 0.000 1.444 117 N HN 0.471 nan 8.380 nan 0.000 0.529 118 L N 1.095 122.214 121.223 -0.173 0.000 2.386 118 L HA 0.496 4.836 4.340 -0.001 0.000 0.271 118 L C 0.046 176.648 176.870 -0.447 0.000 0.993 118 L CA -0.878 53.700 54.840 -0.438 0.000 0.819 118 L CB 2.115 43.805 42.059 -0.615 0.000 1.294 118 L HN 0.232 nan 8.230 nan 0.000 0.414 119 T N -1.076 113.172 114.554 -0.510 0.000 2.856 119 T HA 0.702 5.052 4.350 -0.001 0.000 0.283 119 T C -0.813 173.586 174.700 -0.501 0.000 1.008 119 T CA -0.518 61.366 62.100 -0.360 0.000 0.997 119 T CB 1.226 70.008 68.868 -0.143 0.000 0.992 119 T HN 0.201 nan 8.240 nan 0.000 0.454 120 F N 1.117 121.101 119.950 0.057 0.000 2.493 120 F HA 0.551 5.077 4.527 -0.001 0.000 0.329 120 F C 0.401 176.370 175.800 0.282 0.000 1.126 120 F CA -0.779 57.312 58.000 0.152 0.000 0.937 120 F CB 2.663 41.708 39.000 0.075 0.000 1.146 120 F HN 0.598 nan 8.300 nan 0.000 0.442 121 T N 2.268 117.057 114.554 0.393 0.000 2.841 121 T HA 0.176 4.526 4.350 -0.001 0.000 0.285 121 T C -0.653 173.897 174.700 -0.250 0.000 0.991 121 T CA -0.773 61.405 62.100 0.130 0.000 0.966 121 T CB 1.579 70.456 68.868 0.014 0.000 0.962 121 T HN 0.551 nan 8.240 nan 0.000 0.438 122 E N 2.571 122.419 120.200 -0.586 0.000 2.360 122 E HA 0.390 4.739 4.350 -0.001 0.000 0.269 122 E C -0.172 176.129 176.600 -0.498 0.000 1.022 122 E CA -0.579 55.170 56.400 -1.085 0.000 0.887 122 E CB 0.609 29.791 29.700 -0.863 0.000 0.990 122 E HN 0.512 nan 8.360 nan 0.000 0.426 123 V N 1.225 120.865 119.914 -0.457 0.000 2.919 123 V HA 0.769 4.888 4.120 -0.001 0.000 0.316 123 V C -0.057 175.923 176.094 -0.190 0.000 1.077 123 V CA -0.291 61.861 62.300 -0.248 0.000 0.977 123 V CB 1.530 33.235 31.823 -0.197 0.000 1.039 123 V HN 0.850 nan 8.190 nan 0.000 0.441 124 T N -0.817 113.669 114.554 -0.113 0.000 2.693 124 T HA 0.909 5.258 4.350 -0.001 0.000 0.278 124 T C 0.760 175.432 174.700 -0.048 0.000 0.994 124 T CA 0.169 62.231 62.100 -0.063 0.000 1.033 124 T CB 0.971 69.820 68.868 -0.032 0.000 1.342 124 T HN 2.614 nan 8.240 nan 0.000 0.538 125 G N 1.613 110.398 108.800 -0.024 0.000 2.574 125 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.286 125 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.286 125 G C 0.275 175.157 174.900 -0.030 0.000 1.212 125 G CA 0.586 45.673 45.100 -0.021 0.000 0.979 125 G HN 1.025 nan 8.290 nan 0.000 0.557 126 N N 1.357 120.038 118.700 -0.032 0.000 2.336 126 N HA 0.185 4.925 4.740 -0.001 0.000 0.189 126 N C 0.486 175.969 175.510 -0.045 0.000 1.113 126 N CA 0.556 53.585 53.050 -0.035 0.000 0.858 126 N CB 0.291 38.761 38.487 -0.028 0.000 0.970 126 N HN 0.600 nan 8.380 nan 0.000 0.471 127 K N 1.197 121.564 120.400 -0.055 0.000 2.436 127 K HA 0.078 4.397 4.320 -0.001 0.000 0.275 127 K C 0.506 177.059 176.600 -0.078 0.000 0.999 127 K CA -0.011 56.236 56.287 -0.067 0.000 0.980 127 K CB 0.444 32.897 32.500 -0.078 0.000 0.919 127 K HN 0.174 nan 8.250 nan 0.000 0.484 128 S N 0.791 116.445 115.700 -0.078 0.000 2.603 128 S HA 0.565 5.035 4.470 -0.001 0.000 0.268 128 S C -0.207 174.322 174.600 -0.118 0.000 1.317 128 S CA -0.927 57.221 58.200 -0.087 0.000 1.012 128 S CB 1.458 64.615 63.200 -0.072 0.000 0.926 128 S HN 0.669 nan 8.310 nan 0.000 0.539 129 A N 1.285 124.024 122.820 -0.135 0.000 2.475 129 A HA 0.613 4.933 4.320 -0.001 0.000 0.301 129 A C 0.321 177.776 177.584 -0.216 0.000 1.059 129 A CA -1.079 50.851 52.037 -0.178 0.000 0.710 129 A CB 0.820 19.710 19.000 -0.183 0.000 1.288 129 A HN 0.883 nan 8.150 nan 0.000 0.408 130 N N 0.097 118.594 118.700 -0.338 0.000 2.106 130 N HA 0.012 4.752 4.740 -0.001 0.000 0.188 130 N C 0.008 175.340 175.510 -0.295 0.000 1.029 130 N CA 1.305 53.989 53.050 -0.611 0.000 0.848 130 N CB -0.061 37.722 38.487 -1.173 0.000 1.007 130 N HN 0.666 nan 8.380 nan 0.000 0.423 131 I N 0.520 120.950 120.570 -0.234 0.000 2.433 131 I HA 0.245 4.414 4.170 -0.001 0.000 0.292 131 I C -0.359 175.539 176.117 -0.365 0.000 1.001 131 I CA -0.653 60.508 61.300 -0.232 0.000 1.119 131 I CB 1.823 39.688 38.000 -0.225 0.000 1.289 131 I HN 0.080 nan 8.210 nan 0.000 0.438 132 T N 2.050 116.287 114.554 -0.528 0.000 2.916 132 T HA 0.713 5.063 4.350 -0.001 0.000 0.292 132 T C -0.864 173.272 174.700 -0.940 0.000 1.055 132 T CA -0.683 61.072 62.100 -0.575 0.000 1.009 132 T CB 1.784 70.421 68.868 -0.386 0.000 1.118 132 T HN 0.184 nan 8.240 nan 0.000 0.497 133 F N -0.070 119.527 119.950 -0.588 0.000 2.540 133 F HA 0.789 5.316 4.527 -0.001 0.000 0.317 133 F C 0.692 176.108 175.800 -0.641 0.000 1.104 133 F CA -0.367 57.187 58.000 -0.744 0.000 0.913 133 F CB 2.769 41.039 39.000 -1.217 0.000 1.170 133 F HN 1.174 nan 8.300 nan 0.000 0.450 134 G N 2.051 110.741 108.800 -0.183 0.000 2.673 134 G HA2 0.388 4.347 3.960 -0.001 0.000 0.292 134 G HA3 0.388 4.347 3.960 -0.001 0.000 0.292 134 G C -2.037 173.275 174.900 0.687 0.000 1.450 134 G CA -0.978 44.314 45.100 0.320 0.000 0.837 134 G HN 0.431 nan 8.290 nan 0.000 0.505 135 N N -0.704 118.307 118.700 0.519 0.000 2.443 135 N HA 0.661 5.401 4.740 -0.001 0.000 0.293 135 N C -1.097 174.665 175.510 0.421 0.000 1.159 135 N CA -0.294 53.022 53.050 0.444 0.000 0.904 135 N CB 2.118 40.710 38.487 0.174 0.000 1.214 135 N HN 0.675 nan 8.380 nan 0.000 0.513 136 Y N -2.660 117.847 120.300 0.345 0.000 2.633 136 Y HA 0.661 5.210 4.550 -0.001 0.000 0.339 136 Y C 0.696 176.732 175.900 0.227 0.000 1.045 136 Y CA -0.878 57.379 58.100 0.263 0.000 1.098 136 Y CB 1.052 39.665 38.460 0.254 0.000 1.296 136 Y HN 0.532 nan 8.280 nan 0.000 0.494 137 T N -2.848 111.879 114.554 0.289 0.000 3.046 137 T HA 0.486 4.836 4.350 -0.001 0.000 0.270 137 T C 0.065 174.915 174.700 0.249 0.000 0.920 137 T CA -0.398 61.818 62.100 0.193 0.000 0.874 137 T CB 0.109 69.072 68.868 0.157 0.000 1.214 137 T HN 0.671 nan 8.240 nan 0.000 0.536 138 R N 1.543 122.225 120.500 0.305 0.000 2.836 138 R HA 0.607 4.947 4.340 -0.001 0.000 0.269 138 R C -1.417 174.997 176.300 0.190 0.000 1.010 138 R CA -0.856 55.370 56.100 0.211 0.000 0.930 138 R CB 1.207 31.596 30.300 0.149 0.000 1.218 138 R HN 0.273 nan 8.270 nan 0.000 0.473 139 D N 0.301 120.768 120.400 0.112 0.000 2.478 139 D HA 0.232 4.871 4.640 -0.001 0.000 0.269 139 D C 0.838 177.153 176.300 0.025 0.000 1.232 139 D CA -0.528 53.502 54.000 0.052 0.000 1.059 139 D CB 0.316 41.131 40.800 0.025 0.000 1.104 139 D HN 0.468 nan 8.370 nan 0.000 0.566 140 A N -0.506 122.307 122.820 -0.012 0.000 2.070 140 A HA -0.096 4.223 4.320 -0.001 0.000 0.220 140 A C 1.977 179.561 177.584 -0.001 0.000 1.159 140 A CA 1.288 53.315 52.037 -0.017 0.000 0.656 140 A CB -0.829 18.147 19.000 -0.040 0.000 0.800 140 A HN 0.426 nan 8.150 nan 0.000 0.453 141 S N -1.618 114.085 115.700 0.005 0.000 2.562 141 S HA 0.321 4.790 4.470 -0.001 0.000 0.221 141 S C 1.446 176.061 174.600 0.024 0.000 0.975 141 S CA 0.818 59.024 58.200 0.011 0.000 0.918 141 S CB -0.047 63.158 63.200 0.009 0.000 0.772 141 S HN 1.582 nan 8.310 nan 0.000 0.531 142 G N 2.054 110.875 108.800 0.035 0.000 2.143 142 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.249 142 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.249 142 G C -0.278 174.658 174.900 0.058 0.000 0.981 142 G CA -0.360 44.770 45.100 0.050 0.000 0.665 142 G HN 0.450 nan 8.290 nan 0.000 0.528 143 N N -0.118 118.615 118.700 0.055 0.000 2.487 143 N HA 0.510 5.249 4.740 -0.001 0.000 0.292 143 N C 0.250 175.809 175.510 0.082 0.000 1.108 143 N CA -0.682 52.405 53.050 0.061 0.000 0.956 143 N CB 1.672 40.185 38.487 0.044 0.000 1.176 143 N HN 0.236 nan 8.380 nan 0.000 0.484 144 L N 1.392 122.675 121.223 0.099 0.000 2.525 144 L HA -0.008 4.332 4.340 -0.001 0.000 0.278 144 L C 0.146 177.081 176.870 0.108 0.000 1.218 144 L CA 0.584 55.503 54.840 0.132 0.000 0.878 144 L CB 0.069 42.228 42.059 0.167 0.000 1.127 144 L HN 0.463 nan 8.230 nan 0.000 0.492 145 D N 3.269 123.748 120.400 0.132 0.000 2.460 145 D HA 0.146 4.786 4.640 -0.001 0.000 0.232 145 D C -0.177 176.192 176.300 0.115 0.000 1.079 145 D CA -0.322 53.726 54.000 0.080 0.000 0.864 145 D CB 0.498 41.416 40.800 0.197 0.000 1.048 145 D HN 0.465 nan 8.370 nan 0.000 0.523 146 Y N 1.689 122.047 120.300 0.097 0.000 2.467 146 Y HA 0.492 5.042 4.550 -0.000 0.000 0.250 146 Y C 1.452 177.400 175.900 0.080 0.000 1.155 146 Y CA -0.299 57.845 58.100 0.074 0.000 1.249 146 Y CB 0.349 38.838 38.460 0.049 0.000 1.146 146 Y HN 0.255 nan 8.280 nan 0.000 0.524 147 G N 0.629 109.387 108.800 -0.070 0.000 2.576 147 G HA2 0.035 3.994 3.960 -0.001 0.000 0.210 147 G HA3 0.035 3.994 3.960 -0.001 0.000 0.210 147 G C 0.767 175.729 174.900 0.104 0.000 1.143 147 G CA 0.591 45.693 45.100 0.003 0.000 0.819 147 G HN 0.442 nan 8.290 nan 0.000 0.534 148 T N -2.180 112.466 114.554 0.154 0.000 2.788 148 T HA 0.466 4.816 4.350 -0.001 0.000 0.280 148 T C 0.836 175.702 174.700 0.276 0.000 0.984 148 T CA 0.245 62.489 62.100 0.240 0.000 0.972 148 T CB 2.051 71.121 68.868 0.338 0.000 1.039 148 T HN 0.139 nan 8.240 nan 0.000 0.530 149 Q N 0.327 120.321 119.800 0.324 0.000 2.652 149 Q HA 0.635 4.974 4.340 -0.001 0.000 0.211 149 Q C -0.055 176.135 176.000 0.317 0.000 0.858 149 Q CA 0.727 56.704 55.803 0.290 0.000 0.895 149 Q CB 0.430 29.347 28.738 0.297 0.000 1.194 149 Q HN 1.181 nan 8.270 nan 0.000 0.645 150 A N -1.081 121.939 122.820 0.333 0.000 2.567 150 A HA 0.616 4.936 4.320 -0.001 0.000 0.291 150 A C -1.909 175.783 177.584 0.179 0.000 1.048 150 A CA -0.279 51.855 52.037 0.162 0.000 0.661 150 A CB 0.354 19.421 19.000 0.113 0.000 1.288 150 A HN 0.518 nan 8.150 nan 0.000 0.424 151 Y N -2.835 117.486 120.300 0.034 0.000 2.689 151 Y HA 0.909 5.458 4.550 -0.001 0.000 0.333 151 Y C -0.387 175.458 175.900 -0.091 0.000 1.208 151 Y CA -0.837 57.233 58.100 -0.050 0.000 1.055 151 Y CB 0.869 39.267 38.460 -0.103 0.000 1.304 151 Y HN 1.945 nan 8.280 nan 0.000 0.455 152 A N 0.413 123.220 122.820 -0.021 0.000 2.606 152 A HA 0.791 5.110 4.320 -0.001 0.000 0.293 152 A C -2.538 174.882 177.584 -0.273 0.000 1.082 152 A CA -0.964 51.043 52.037 -0.051 0.000 0.685 152 A CB 1.180 20.168 19.000 -0.020 0.000 1.284 152 A HN 0.701 nan 8.150 nan 0.000 0.408 153 Y N -0.013 120.301 120.300 0.023 0.000 2.377 153 Y HA 0.513 5.063 4.550 -0.001 0.000 0.339 153 Y C -0.002 175.889 175.900 -0.015 0.000 1.011 153 Y CA -0.100 57.999 58.100 -0.001 0.000 1.093 153 Y CB 1.187 39.764 38.460 0.195 0.000 1.201 153 Y HN 0.652 nan 8.280 nan 0.000 0.455 154 Y N 3.417 123.840 120.300 0.205 0.000 2.607 154 Y HA 0.041 4.591 4.550 -0.001 0.000 0.348 154 Y C -1.754 174.080 175.900 -0.111 0.000 1.261 154 Y CA -1.755 56.365 58.100 0.032 0.000 1.480 154 Y CB -0.122 38.338 38.460 -0.000 0.000 1.358 154 Y HN 0.380 nan 8.280 nan 0.000 0.630 155 P HA 0.165 nan 4.420 nan 0.000 0.268 155 P C -0.059 176.924 177.300 -0.529 0.000 1.208 155 P CA 0.454 62.882 63.100 -1.119 0.000 0.777 155 P CB 0.683 31.413 31.700 -1.617 0.000 0.875 156 G N 0.964 109.420 108.800 -0.574 0.000 2.317 156 G HA2 0.026 3.986 3.960 -0.001 0.000 0.293 156 G HA3 0.026 3.986 3.960 -0.001 0.000 0.293 156 G C -0.340 174.495 174.900 -0.109 0.000 1.287 156 G CA -0.490 44.528 45.100 -0.137 0.000 0.850 156 G HN 0.359 nan 8.290 nan 0.000 0.515 157 N N -0.615 118.104 118.700 0.032 0.000 2.236 157 N HA 0.141 4.881 4.740 -0.001 0.000 0.196 157 N C 0.387 175.907 175.510 0.017 0.000 1.114 157 N CA 0.131 53.199 53.050 0.031 0.000 0.859 157 N CB 0.401 38.926 38.487 0.063 0.000 0.982 157 N HN 0.613 nan 8.380 nan 0.000 0.493 158 Y N 0.662 120.968 120.300 0.010 0.000 2.299 158 Y HA 0.404 4.954 4.550 -0.001 0.000 0.335 158 Y C 0.800 176.693 175.900 -0.011 0.000 1.287 158 Y CA -1.276 56.822 58.100 -0.005 0.000 1.424 158 Y CB 0.155 38.608 38.460 -0.013 0.000 1.326 158 Y HN -0.237 nan 8.280 nan 0.000 0.567 159 Q N 1.301 121.156 119.800 0.092 0.000 2.244 159 Q HA 0.361 4.701 4.340 -0.001 0.000 0.278 159 Q C 0.790 176.743 176.000 -0.079 0.000 1.093 159 Q CA 1.544 57.338 55.803 -0.015 0.000 0.916 159 Q CB 0.154 28.899 28.738 0.013 0.000 1.159 159 Q HN 1.132 nan 8.270 nan 0.000 0.384 160 G N 2.316 111.013 108.800 -0.172 0.000 2.176 160 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 160 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 160 G C 0.197 174.935 174.900 -0.270 0.000 0.986 160 G CA -0.183 44.798 45.100 -0.198 0.000 0.643 160 G HN 1.033 nan 8.290 nan 0.000 0.522 161 A N 0.109 122.561 122.820 -0.613 0.000 2.540 161 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 161 A C 2.136 179.695 177.584 -0.042 0.000 1.061 161 A CA 2.146 53.793 52.037 -0.651 0.000 0.758 161 A CB -0.179 18.186 19.000 -1.058 0.000 0.991 161 A HN 2.408 nan 8.150 nan 0.000 0.502 162 G N 1.426 110.302 108.800 0.127 0.000 2.179 162 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.260 162 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.260 162 G C 0.582 175.518 174.900 0.059 0.000 0.977 162 G CA 0.950 46.221 45.100 0.286 0.000 0.641 162 G HN 2.200 nan 8.290 nan 0.000 0.533 163 S N -0.036 115.702 115.700 0.064 0.000 2.584 163 S HA 0.735 5.204 4.470 -0.001 0.000 0.273 163 S C 0.143 174.614 174.600 -0.214 0.000 1.311 163 S CA 0.642 58.763 58.200 -0.132 0.000 1.034 163 S CB 1.975 65.224 63.200 0.081 0.000 0.939 163 S HN 1.862 nan 8.310 nan 0.000 0.513 164 S N 1.524 116.777 115.700 -0.746 0.000 2.536 164 S HA 0.786 5.256 4.470 -0.001 0.000 0.287 164 S C -1.613 172.355 174.600 -1.053 0.000 1.101 164 S CA -0.962 56.833 58.200 -0.675 0.000 0.950 164 S CB 0.400 63.326 63.200 -0.457 0.000 1.056 164 S HN 0.859 nan 8.310 nan 0.000 0.481 165 W N 0.752 121.631 121.300 -0.702 0.000 3.129 165 W HA 0.668 5.328 4.660 -0.001 0.000 0.333 165 W C -1.745 174.379 176.519 -0.658 0.000 1.141 165 W CA -0.648 56.419 57.345 -0.463 0.000 1.224 165 W CB 1.461 30.598 29.460 -0.540 0.000 1.393 165 W HN 0.701 nan 8.180 nan 0.000 0.499 166 Y N 1.191 121.763 120.300 0.453 0.000 2.524 166 Y HA 0.301 4.850 4.550 -0.001 0.000 0.347 166 Y C -0.010 175.799 175.900 -0.152 0.000 1.005 166 Y CA -1.475 56.779 58.100 0.257 0.000 1.025 166 Y CB 1.547 40.221 38.460 0.356 0.000 1.275 166 Y HN 0.287 nan 8.280 nan 0.000 0.460 167 N N 1.509 120.115 118.700 -0.158 0.000 2.402 167 N HA -0.019 4.720 4.740 -0.001 0.000 0.252 167 N C 0.120 175.569 175.510 -0.102 0.000 1.118 167 N CA 0.114 52.859 53.050 -0.508 0.000 0.945 167 N CB 0.157 38.512 38.487 -0.221 0.000 1.147 167 N HN 0.750 nan 8.380 nan 0.000 0.495 168 Y N 3.538 123.713 120.300 -0.209 0.000 2.571 168 Y HA 0.068 4.618 4.550 -0.001 0.000 0.294 168 Y C 1.155 177.021 175.900 -0.056 0.000 1.141 168 Y CA 0.944 58.989 58.100 -0.092 0.000 1.308 168 Y CB 0.134 38.550 38.460 -0.073 0.000 1.002 168 Y HN 0.577 nan 8.280 nan 0.000 0.551 169 N N -0.110 118.604 118.700 0.022 0.000 2.461 169 N HA -0.049 4.690 4.740 -0.001 0.000 0.188 169 N C -0.191 175.313 175.510 -0.010 0.000 1.134 169 N CA 0.468 53.529 53.050 0.019 0.000 0.878 169 N CB 0.044 38.598 38.487 0.110 0.000 0.972 169 N HN 0.367 nan 8.380 nan 0.000 0.456 170 Q N 0.467 120.246 119.800 -0.034 0.000 2.274 170 Q HA 0.140 4.480 4.340 -0.001 0.000 0.256 170 Q C 1.144 177.079 176.000 -0.109 0.000 0.927 170 Q CA -0.109 55.679 55.803 -0.025 0.000 0.939 170 Q CB 1.562 30.315 28.738 0.025 0.000 1.201 170 Q HN 0.224 nan 8.270 nan 0.000 0.426 171 S N 2.629 118.271 115.700 -0.097 0.000 2.400 171 S HA -0.259 4.211 4.470 -0.001 0.000 0.232 171 S C 1.279 175.794 174.600 -0.141 0.000 1.025 171 S CA 1.711 59.829 58.200 -0.136 0.000 0.993 171 S CB -0.230 62.912 63.200 -0.098 0.000 0.808 171 S HN 0.778 nan 8.310 nan 0.000 0.478 172 N N 1.667 120.312 118.700 -0.092 0.000 2.244 172 N HA -0.052 4.688 4.740 -0.001 0.000 0.183 172 N C 1.595 176.980 175.510 -0.208 0.000 1.016 172 N CA 1.247 54.230 53.050 -0.111 0.000 0.866 172 N CB -0.409 38.067 38.487 -0.017 0.000 0.980 172 N HN 0.357 nan 8.380 nan 0.000 0.430 173 I N 0.767 121.232 120.570 -0.176 0.000 2.286 173 I HA -0.068 4.101 4.170 -0.001 0.000 0.245 173 I C 2.231 178.187 176.117 -0.269 0.000 1.104 173 I CA 0.971 62.154 61.300 -0.195 0.000 1.397 173 I CB -0.841 37.144 38.000 -0.025 0.000 1.072 173 I HN 0.280 nan 8.210 nan 0.000 0.417 174 R N 0.923 121.224 120.500 -0.332 0.000 2.148 174 R HA -0.027 4.312 4.340 -0.001 0.000 0.223 174 R C 0.188 176.322 176.300 -0.277 0.000 1.088 174 R CA 0.746 56.601 56.100 -0.410 0.000 0.985 174 R CB -0.069 29.886 30.300 -0.575 0.000 0.880 174 R HN 0.361 nan 8.270 nan 0.000 0.451 175 N N 0.583 119.135 118.700 -0.247 0.000 2.735 175 N HA 0.118 4.858 4.740 -0.001 0.000 0.312 175 N C -2.186 173.195 175.510 -0.215 0.000 1.843 175 N CA -1.138 51.795 53.050 -0.195 0.000 0.945 175 N CB 1.180 39.577 38.487 -0.150 0.000 1.299 175 N HN 0.102 nan 8.380 nan 0.000 0.489 176 P HA -0.007 nan 4.420 nan 0.000 0.233 176 P C 1.299 178.451 177.300 -0.247 0.000 1.167 176 P CA 0.701 63.567 63.100 -0.391 0.000 0.770 176 P CB 0.283 31.544 31.700 -0.733 0.000 0.837 177 G N 0.570 109.269 108.800 -0.168 0.000 2.623 177 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.214 177 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.214 177 G C 1.435 176.292 174.900 -0.071 0.000 1.138 177 G CA 0.811 45.850 45.100 -0.102 0.000 0.794 177 G HN 0.454 nan 8.290 nan 0.000 0.535 178 S N -1.055 114.599 115.700 -0.078 0.000 2.559 178 S HA 0.257 4.727 4.470 -0.001 0.000 0.226 178 S C 0.320 174.899 174.600 -0.034 0.000 1.030 178 S CA -0.382 57.791 58.200 -0.045 0.000 0.956 178 S CB 0.503 63.676 63.200 -0.046 0.000 0.900 178 S HN 0.285 nan 8.310 nan 0.000 0.510 179 E N 1.568 121.731 120.200 -0.062 0.000 2.149 179 E HA 0.291 4.641 4.350 -0.001 0.000 0.255 179 E C -0.334 176.244 176.600 -0.037 0.000 0.888 179 E CA -0.261 56.117 56.400 -0.036 0.000 0.742 179 E CB 1.293 30.956 29.700 -0.061 0.000 1.164 179 E HN 0.366 nan 8.360 nan 0.000 0.422 180 E N 1.211 121.444 120.200 0.056 0.000 2.171 180 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 180 E C 1.199 177.811 176.600 0.019 0.000 0.997 180 E CA 1.088 57.540 56.400 0.088 0.000 0.810 180 E CB -0.018 29.831 29.700 0.248 0.000 0.738 180 E HN 0.517 nan 8.360 nan 0.000 0.467 181 Y N 1.011 121.161 120.300 -0.249 0.000 2.352 181 Y HA -0.098 4.452 4.550 -0.001 0.000 0.292 181 Y C 2.178 177.870 175.900 -0.347 0.000 1.136 181 Y CA 1.316 59.094 58.100 -0.538 0.000 1.227 181 Y CB -0.506 37.490 38.460 -0.772 0.000 0.991 181 Y HN -0.023 nan 8.280 nan 0.000 0.545 182 G N -0.221 108.372 108.800 -0.345 0.000 2.404 182 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.215 182 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.215 182 G C 1.748 176.179 174.900 -0.782 0.000 1.174 182 G CA 0.903 45.665 45.100 -0.564 0.000 0.780 182 G HN 0.324 nan 8.290 nan 0.000 0.537 183 R N 0.527 120.697 120.500 -0.550 0.000 2.081 183 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 183 R C 2.518 178.666 176.300 -0.254 0.000 1.131 183 R CA 2.152 57.999 56.100 -0.421 0.000 0.960 183 R CB -0.805 29.365 30.300 -0.217 0.000 0.856 183 R HN 0.498 nan 8.270 nan 0.000 0.436 184 Q N -0.744 118.913 119.800 -0.239 0.000 2.084 184 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 184 Q C 1.397 177.308 176.000 -0.148 0.000 0.978 184 Q CA 2.212 57.905 55.803 -0.185 0.000 0.844 184 Q CB -0.108 28.527 28.738 -0.171 0.000 0.898 184 Q HN 0.424 nan 8.270 nan 0.000 0.426 185 T N 0.799 115.176 114.554 -0.295 0.000 2.746 185 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 185 T C 1.328 176.221 174.700 0.320 0.000 1.039 185 T CA 1.164 63.207 62.100 -0.095 0.000 1.142 185 T CB -0.271 68.455 68.868 -0.236 0.000 0.866 185 T HN 0.244 nan 8.240 nan 0.000 0.444 186 F N 2.044 122.041 119.950 0.078 0.000 2.095 186 F HA -0.094 4.433 4.527 -0.001 0.000 0.298 186 F C 2.839 178.791 175.800 0.252 0.000 1.104 186 F CA 0.802 58.919 58.000 0.196 0.000 1.232 186 F CB -1.789 37.236 39.000 0.042 0.000 0.987 186 F HN 0.148 nan 8.300 nan 0.000 0.475 187 T N -1.734 113.028 114.554 0.345 0.000 2.746 187 T HA -0.242 4.108 4.350 -0.001 0.000 0.267 187 T C 1.885 176.868 174.700 0.472 0.000 1.039 187 T CA 1.736 64.033 62.100 0.329 0.000 1.142 187 T CB -0.652 68.209 68.868 -0.011 0.000 0.866 187 T HN 0.441 nan 8.240 nan 0.000 0.444 188 H N 0.726 119.858 119.070 0.103 0.000 2.321 188 H HA -0.086 4.469 4.556 -0.001 0.000 0.300 188 H C 2.698 178.025 175.328 -0.001 0.000 1.087 188 H CA 1.591 57.563 56.048 -0.128 0.000 1.319 188 H CB 0.071 29.728 29.762 -0.176 0.000 1.379 188 H HN 0.493 nan 8.280 nan 0.000 0.501 189 E N 1.246 121.596 120.200 0.249 0.000 2.077 189 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 189 E C 2.086 178.791 176.600 0.175 0.000 0.989 189 E CA 1.326 57.839 56.400 0.187 0.000 0.800 189 E CB -0.800 29.042 29.700 0.236 0.000 0.746 189 E HN 0.639 nan 8.360 nan 0.000 0.452 190 I N 0.787 121.502 120.570 0.240 0.000 2.208 190 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 190 I C 2.929 179.012 176.117 -0.056 0.000 1.097 190 I CA 1.214 62.572 61.300 0.097 0.000 1.363 190 I CB -0.463 37.650 38.000 0.187 0.000 1.051 190 I HN 0.407 nan 8.210 nan 0.000 0.413 191 G N 0.234 109.064 108.800 0.050 0.000 2.476 191 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 191 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 191 G C 1.491 176.396 174.900 0.009 0.000 1.164 191 G CA 0.874 45.898 45.100 -0.126 0.000 0.768 191 G HN 0.359 nan 8.290 nan 0.000 0.560 192 H N 0.855 120.052 119.070 0.210 0.000 2.353 192 H HA 0.018 4.574 4.556 -0.001 0.000 0.300 192 H C 2.881 178.267 175.328 0.097 0.000 1.090 192 H CA 1.136 57.249 56.048 0.109 0.000 1.327 192 H CB -0.713 29.021 29.762 -0.047 0.000 1.383 192 H HN 0.393 nan 8.280 nan 0.000 0.508 193 A N 0.579 123.493 122.820 0.157 0.000 2.172 193 A HA -0.011 4.308 4.320 -0.001 0.000 0.216 193 A C 2.370 180.100 177.584 0.245 0.000 1.154 193 A CA 0.636 52.767 52.037 0.157 0.000 0.701 193 A CB -0.549 18.496 19.000 0.075 0.000 0.789 193 A HN 0.304 nan 8.150 nan 0.000 0.465 194 L N -2.228 119.080 121.223 0.142 0.000 2.554 194 L HA 0.274 4.614 4.340 -0.001 0.000 0.225 194 L C 1.599 178.547 176.870 0.131 0.000 1.104 194 L CA 0.662 55.620 54.840 0.197 0.000 0.866 194 L CB 0.284 42.332 42.059 -0.018 0.000 1.047 194 L HN 0.526 nan 8.230 nan 0.000 0.468 195 G N -0.091 108.747 108.800 0.064 0.000 2.205 195 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.180 195 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.180 195 G C 0.094 174.955 174.900 -0.064 0.000 1.004 195 G CA -0.623 44.453 45.100 -0.041 0.000 0.670 195 G HN 0.085 nan 8.290 nan 0.000 0.496 196 L N 1.122 122.346 121.223 0.002 0.000 2.371 196 L HA 0.704 5.044 4.340 -0.001 0.000 0.272 196 L C 0.836 177.790 176.870 0.140 0.000 1.124 196 L CA -0.103 54.698 54.840 -0.065 0.000 0.816 196 L CB 1.423 43.293 42.059 -0.315 0.000 1.129 196 L HN 0.315 nan 8.230 nan 0.000 0.448 197 A N 1.653 124.511 122.820 0.063 0.000 2.330 197 A HA 0.487 4.807 4.320 -0.001 0.000 0.329 197 A C -0.666 177.040 177.584 0.204 0.000 1.135 197 A CA -0.613 51.517 52.037 0.154 0.000 0.817 197 A CB 0.395 19.421 19.000 0.044 0.000 1.269 197 A HN 0.798 nan 8.150 nan 0.000 0.469 198 H N 1.365 120.612 119.070 0.295 0.000 3.001 198 H HA 0.052 4.608 4.556 -0.001 0.000 0.334 198 H C -1.472 173.882 175.328 0.044 0.000 1.034 198 H CA -0.930 55.249 56.048 0.218 0.000 1.420 198 H CB 0.539 30.316 29.762 0.024 0.000 1.405 198 H HN 0.433 nan 8.280 nan 0.000 0.593 199 P HA -0.145 nan 4.420 nan 0.000 0.216 199 P C 0.544 177.920 177.300 0.127 0.000 1.150 199 P CA 1.393 64.665 63.100 0.286 0.000 0.843 199 P CB 0.325 32.236 31.700 0.352 0.000 0.787 200 G N -0.616 108.036 108.800 -0.247 0.000 2.432 200 G HA2 0.231 4.190 3.960 -0.001 0.000 0.331 200 G HA3 0.231 4.190 3.960 -0.001 0.000 0.331 200 G C -0.501 173.978 174.900 -0.701 0.000 1.170 200 G CA -0.382 44.475 45.100 -0.404 0.000 0.943 200 G HN -0.179 nan 8.290 nan 0.000 0.483 201 E N 1.142 121.203 120.200 -0.231 0.000 2.053 201 E HA 0.121 4.471 4.350 -0.001 0.000 0.297 201 E C -0.880 175.732 176.600 0.019 0.000 1.173 201 E CA 0.271 56.610 56.400 -0.101 0.000 1.219 201 E CB -0.400 29.305 29.700 0.010 0.000 1.103 201 E HN 0.466 nan 8.360 nan 0.000 0.476 202 Y N -1.261 119.157 120.300 0.196 0.000 2.615 202 Y HA 0.702 5.252 4.550 -0.001 0.000 0.341 202 Y C -0.466 175.593 175.900 0.265 0.000 1.089 202 Y CA -1.895 56.342 58.100 0.229 0.000 1.049 202 Y CB 1.353 40.000 38.460 0.311 0.000 1.296 202 Y HN -0.101 nan 8.280 nan 0.000 0.470 203 N N 0.013 119.048 118.700 0.558 0.000 2.636 203 N HA 0.554 5.294 4.740 -0.001 0.000 0.261 203 N C -1.686 174.031 175.510 0.345 0.000 1.195 203 N CA -0.200 53.133 53.050 0.472 0.000 0.902 203 N CB 2.454 41.075 38.487 0.223 0.000 1.627 203 N HN 1.172 nan 8.380 nan 0.000 0.491 204 A N 0.676 123.707 122.820 0.353 0.000 2.484 204 A HA 0.511 4.831 4.320 -0.001 0.000 0.268 204 A C 1.329 178.962 177.584 0.080 0.000 1.114 204 A CA 1.196 53.331 52.037 0.163 0.000 0.780 204 A CB -0.923 18.208 19.000 0.218 0.000 1.061 204 A HN 1.318 nan 8.150 nan 0.000 0.505 205 G N 2.036 110.859 108.800 0.039 0.000 2.316 205 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.203 205 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.203 205 G C -0.042 174.869 174.900 0.017 0.000 0.999 205 G CA 0.090 45.197 45.100 0.013 0.000 0.649 205 G HN 0.745 nan 8.290 nan 0.000 0.489 206 E N 1.318 121.545 120.200 0.045 0.000 2.028 206 E HA 0.480 4.830 4.350 -0.001 0.000 0.266 206 E C 1.144 177.779 176.600 0.058 0.000 0.962 206 E CA 0.112 56.543 56.400 0.052 0.000 0.784 206 E CB 0.867 30.612 29.700 0.076 0.000 1.114 206 E HN 1.206 nan 8.360 nan 0.000 0.414 207 G N 4.153 112.975 108.800 0.036 0.000 2.556 207 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.283 207 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.283 207 G C -0.418 174.499 174.900 0.028 0.000 1.177 207 G CA 0.302 45.422 45.100 0.033 0.000 0.978 207 G HN 0.714 nan 8.290 nan 0.000 0.554 208 D N 0.236 120.658 120.400 0.036 0.000 2.668 208 D HA 0.380 5.020 4.640 -0.001 0.000 0.247 208 D C -2.341 173.991 176.300 0.054 0.000 1.268 208 D CA -0.661 53.355 54.000 0.026 0.000 0.842 208 D CB 0.516 41.321 40.800 0.007 0.000 1.399 208 D HN 0.599 nan 8.370 nan 0.000 0.530 209 P HA 0.229 nan 4.420 nan 0.000 0.269 209 P C -0.064 177.361 177.300 0.208 0.000 1.215 209 P CA 0.012 63.242 63.100 0.216 0.000 0.780 209 P CB 1.208 33.120 31.700 0.354 0.000 0.898 210 S N 0.356 115.955 115.700 -0.169 0.000 2.697 210 S HA 0.209 4.679 4.470 -0.001 0.000 0.289 210 S C 0.598 174.236 174.600 -1.602 0.000 1.149 210 S CA -0.675 57.036 58.200 -0.815 0.000 0.850 210 S CB 0.728 63.692 63.200 -0.393 0.000 1.151 210 S HN 0.448 nan 8.310 nan 0.000 0.491 211 Y N 1.682 120.835 120.300 -1.912 0.000 2.483 211 Y HA -0.044 4.506 4.550 -0.001 0.000 0.291 211 Y C 1.495 176.940 175.900 -0.758 0.000 1.143 211 Y CA 1.671 58.762 58.100 -1.681 0.000 1.289 211 Y CB -0.504 37.363 38.460 -0.988 0.000 0.983 211 Y HN 0.643 nan 8.280 nan 0.000 0.556 212 N N 0.150 118.507 118.700 -0.571 0.000 2.459 212 N HA -0.114 4.625 4.740 -0.001 0.000 0.181 212 N C 0.405 175.729 175.510 -0.311 0.000 1.046 212 N CA 1.198 54.022 53.050 -0.377 0.000 0.904 212 N CB -0.152 38.202 38.487 -0.222 0.000 0.964 212 N HN 0.458 nan 8.380 nan 0.000 0.444 213 D N 0.273 120.501 120.400 -0.287 0.000 2.325 213 D HA 0.127 4.766 4.640 -0.001 0.000 0.225 213 D C 0.164 176.491 176.300 0.044 0.000 1.096 213 D CA -0.006 53.964 54.000 -0.050 0.000 0.844 213 D CB 0.025 40.895 40.800 0.115 0.000 0.925 213 D HN 0.094 nan 8.370 nan 0.000 0.513 214 A N 0.592 123.308 122.820 -0.172 0.000 2.409 214 A HA 0.260 4.579 4.320 -0.001 0.000 0.267 214 A C 1.666 179.159 177.584 -0.152 0.000 1.127 214 A CA -0.445 51.536 52.037 -0.092 0.000 0.795 214 A CB 0.657 19.390 19.000 -0.445 0.000 1.061 214 A HN -0.001 nan 8.150 nan 0.000 0.502 215 V N 2.642 122.541 119.914 -0.024 0.000 2.231 215 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 215 V C 1.014 177.043 176.094 -0.108 0.000 1.058 215 V CA 2.398 64.700 62.300 0.003 0.000 1.022 215 V CB -1.627 30.295 31.823 0.165 0.000 0.640 215 V HN 0.901 nan 8.190 nan 0.000 0.445 216 Y N -3.411 116.637 120.300 -0.419 0.000 2.630 216 Y HA 0.796 5.346 4.550 -0.001 0.000 0.337 216 Y C 1.067 176.787 175.900 -0.301 0.000 1.051 216 Y CA -0.676 57.097 58.100 -0.545 0.000 1.121 216 Y CB 1.342 39.064 38.460 -1.230 0.000 1.299 216 Y HN -0.123 nan 8.280 nan 0.000 0.498 217 A N 0.436 123.150 122.820 -0.177 0.000 1.933 217 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 217 A C 1.236 178.745 177.584 -0.124 0.000 1.175 217 A CA 1.702 53.681 52.037 -0.097 0.000 0.628 217 A CB -0.792 18.203 19.000 -0.008 0.000 0.814 217 A HN 0.843 nan 8.150 nan 0.000 0.444 218 E N 0.792 120.820 120.200 -0.287 0.000 2.365 218 E HA 0.043 4.392 4.350 -0.001 0.000 0.188 218 E C -0.300 176.119 176.600 -0.301 0.000 1.102 218 E CA 0.014 56.100 56.400 -0.524 0.000 0.927 218 E CB -0.155 28.985 29.700 -0.934 0.000 1.073 218 E HN 0.384 nan 8.360 nan 0.000 0.467 219 D N 1.339 121.486 120.400 -0.421 0.000 2.551 219 D HA 0.068 4.708 4.640 -0.001 0.000 0.223 219 D C -0.793 175.713 176.300 0.345 0.000 1.144 219 D CA -0.102 53.807 54.000 -0.152 0.000 1.025 219 D CB -0.353 40.305 40.800 -0.236 0.000 1.085 219 D HN 0.084 nan 8.370 nan 0.000 0.506 220 S N 1.213 117.103 115.700 0.317 0.000 2.587 220 S HA 0.196 4.666 4.470 -0.001 0.000 0.269 220 S C 0.846 175.631 174.600 0.309 0.000 1.154 220 S CA -0.841 57.516 58.200 0.261 0.000 0.824 220 S CB 0.212 63.511 63.200 0.164 0.000 1.118 220 S HN 0.271 nan 8.310 nan 0.000 0.462 221 Y N 0.591 120.988 120.300 0.162 0.000 2.365 221 Y HA -0.231 4.319 4.550 -0.001 0.000 0.287 221 Y C 2.820 178.820 175.900 0.166 0.000 1.162 221 Y CA 1.352 59.547 58.100 0.159 0.000 1.260 221 Y CB -0.031 38.518 38.460 0.148 0.000 0.976 221 Y HN 0.790 nan 8.280 nan 0.000 0.548 222 Q N -0.045 119.877 119.800 0.204 0.000 2.124 222 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 222 Q C 1.202 177.164 176.000 -0.063 0.000 0.977 222 Q CA 1.687 57.481 55.803 -0.014 0.000 0.850 222 Q CB -0.090 28.378 28.738 -0.450 0.000 0.901 222 Q HN 0.505 nan 8.270 nan 0.000 0.429 223 F N -1.236 118.857 119.950 0.239 0.000 2.653 223 F HA 0.260 4.786 4.527 -0.001 0.000 0.288 223 F C 0.638 176.619 175.800 0.301 0.000 1.121 223 F CA -0.105 58.077 58.000 0.303 0.000 1.384 223 F CB 1.109 40.267 39.000 0.264 0.000 1.115 223 F HN -0.165 nan 8.300 nan 0.000 0.599 224 S N 0.114 116.085 115.700 0.452 0.000 2.566 224 S HA 0.349 4.818 4.470 -0.001 0.000 0.273 224 S C 0.254 175.026 174.600 0.287 0.000 1.157 224 S CA -0.738 57.688 58.200 0.376 0.000 0.938 224 S CB 0.842 64.297 63.200 0.424 0.000 1.087 224 S HN 0.309 nan 8.310 nan 0.000 0.474 225 I N 1.805 122.435 120.570 0.100 0.000 3.444 225 I HA 0.213 4.382 4.170 -0.001 0.000 0.287 225 I C 1.074 176.840 176.117 -0.585 0.000 1.302 225 I CA 0.505 61.719 61.300 -0.143 0.000 1.368 225 I CB -0.305 37.524 38.000 -0.286 0.000 1.048 225 I HN 0.645 nan 8.210 nan 0.000 0.487 226 H N 0.620 119.508 119.070 -0.305 0.000 2.548 226 H HA 0.224 4.779 4.556 -0.001 0.000 0.265 226 H C 1.259 176.715 175.328 0.213 0.000 0.969 226 H CA 0.149 56.014 56.048 -0.306 0.000 1.155 226 H CB 0.293 30.177 29.762 0.203 0.000 1.394 226 H HN 0.395 nan 8.280 nan 0.000 0.570 227 S N -0.229 115.620 115.700 0.249 0.000 2.579 227 S HA -0.013 4.457 4.470 -0.001 0.000 0.275 227 S C 0.943 175.487 174.600 -0.094 0.000 1.345 227 S CA -0.415 57.864 58.200 0.132 0.000 1.031 227 S CB 0.549 63.856 63.200 0.178 0.000 0.892 227 S HN 0.341 nan 8.310 nan 0.000 0.529 228 Y N 1.049 120.917 120.300 -0.719 0.000 2.500 228 Y HA 0.190 4.740 4.550 -0.001 0.000 0.270 228 Y C -0.026 175.269 175.900 -1.008 0.000 1.134 228 Y CA -0.662 56.773 58.100 -1.109 0.000 1.293 228 Y CB 0.441 37.688 38.460 -2.021 0.000 1.063 228 Y HN 0.617 nan 8.280 nan 0.000 0.534 229 W N 0.537 121.749 121.300 -0.146 0.000 2.520 229 W HA 0.536 5.196 4.660 -0.001 0.000 0.323 229 W C 0.501 176.620 176.519 -0.667 0.000 1.062 229 W CA -1.385 55.791 57.345 -0.282 0.000 1.215 229 W CB 0.629 30.077 29.460 -0.020 0.000 1.340 229 W HN -0.132 nan 8.180 nan 0.000 0.516 230 G N 1.870 110.455 108.800 -0.358 0.000 2.614 230 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.239 230 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.239 230 G C 1.055 175.784 174.900 -0.285 0.000 1.240 230 G CA -0.330 44.510 45.100 -0.434 0.000 0.842 230 G HN 0.713 nan 8.290 nan 0.000 0.584 231 E N 0.790 120.861 120.200 -0.215 0.000 2.265 231 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 231 E C 1.648 178.060 176.600 -0.314 0.000 0.996 231 E CA 1.514 57.722 56.400 -0.319 0.000 0.832 231 E CB -0.609 28.598 29.700 -0.821 0.000 0.756 231 E HN 0.795 nan 8.360 nan 0.000 0.491 232 N N 0.991 119.528 118.700 -0.272 0.000 2.289 232 N HA -0.168 4.572 4.740 -0.001 0.000 0.184 232 N C 1.541 176.903 175.510 -0.247 0.000 1.016 232 N CA 0.966 53.883 53.050 -0.221 0.000 0.872 232 N CB -0.093 38.289 38.487 -0.174 0.000 0.973 232 N HN 0.020 nan 8.380 nan 0.000 0.433 233 E N 0.219 120.210 120.200 -0.347 0.000 2.265 233 E HA -0.127 4.222 4.350 -0.001 0.000 0.196 233 E C 1.249 177.559 176.600 -0.484 0.000 0.996 233 E CA 1.594 57.635 56.400 -0.598 0.000 0.832 233 E CB -0.308 28.731 29.700 -1.102 0.000 0.756 233 E HN 0.766 nan 8.360 nan 0.000 0.491 234 T N -3.717 110.689 114.554 -0.247 0.000 3.134 234 T HA 0.434 4.783 4.350 -0.001 0.000 0.260 234 T C 1.278 175.993 174.700 0.026 0.000 1.027 234 T CA 0.333 62.404 62.100 -0.048 0.000 0.913 234 T CB 0.733 69.671 68.868 0.117 0.000 1.046 234 T HN 0.184 nan 8.240 nan 0.000 0.553 235 G N 1.012 109.780 108.800 -0.054 0.000 2.157 235 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.248 235 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.248 235 G C 0.296 175.208 174.900 0.019 0.000 0.979 235 G CA -0.170 44.921 45.100 -0.014 0.000 0.650 235 G HN 1.127 nan 8.290 nan 0.000 0.529 236 A N -0.525 122.258 122.820 -0.062 0.000 2.271 236 A HA 0.695 5.015 4.320 -0.001 0.000 0.288 236 A C -0.014 177.463 177.584 -0.178 0.000 1.094 236 A CA 0.440 52.417 52.037 -0.101 0.000 0.828 236 A CB 1.005 19.842 19.000 -0.272 0.000 1.091 236 A HN 0.638 nan 8.150 nan 0.000 0.493 237 D N -0.774 119.565 120.400 -0.101 0.000 2.470 237 D HA 0.331 4.971 4.640 -0.001 0.000 0.233 237 D C -1.337 175.054 176.300 0.152 0.000 1.372 237 D CA -0.251 53.711 54.000 -0.065 0.000 0.994 237 D CB 0.430 41.225 40.800 -0.008 0.000 1.377 237 D HN 0.283 nan 8.370 nan 0.000 0.586 238 Y N 2.344 122.625 120.300 -0.032 0.000 2.485 238 Y HA 0.242 4.792 4.550 -0.001 0.000 0.260 238 Y C 1.320 177.226 175.900 0.010 0.000 1.173 238 Y CA -0.769 57.315 58.100 -0.027 0.000 1.252 238 Y CB -0.770 37.669 38.460 -0.036 0.000 1.123 238 Y HN 0.496 nan 8.280 nan 0.000 0.524 239 N N 0.951 119.717 118.700 0.111 0.000 2.721 239 N HA -0.199 4.541 4.740 -0.001 0.000 0.249 239 N C 1.120 176.618 175.510 -0.020 0.000 1.072 239 N CA 1.413 54.499 53.050 0.061 0.000 0.710 239 N CB -1.045 37.511 38.487 0.114 0.000 0.993 239 N HN 0.703 nan 8.380 nan 0.000 0.547 240 G N -2.267 106.467 108.800 -0.111 0.000 2.176 240 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.253 240 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.253 240 G C -0.020 174.618 174.900 -0.437 0.000 0.979 240 G CA 0.439 45.379 45.100 -0.266 0.000 0.641 240 G HN 0.704 nan 8.290 nan 0.000 0.530 241 H N -1.020 117.922 119.070 -0.213 0.000 2.508 241 H HA 0.622 5.177 4.556 -0.001 0.000 0.344 241 H C -0.666 174.459 175.328 -0.338 0.000 1.192 241 H CA 0.032 55.975 56.048 -0.175 0.000 1.290 241 H CB 1.085 30.809 29.762 -0.064 0.000 1.571 241 H HN 0.206 nan 8.280 nan 0.000 0.555 242 Y N -1.010 119.401 120.300 0.184 0.000 2.361 242 Y HA 0.278 4.828 4.550 -0.001 0.000 0.337 242 Y C 0.785 176.693 175.900 0.015 0.000 0.965 242 Y CA -0.937 57.220 58.100 0.096 0.000 1.091 242 Y CB 1.755 40.271 38.460 0.094 0.000 1.182 242 Y HN 0.745 nan 8.280 nan 0.000 0.450 243 G N 0.598 109.453 108.800 0.092 0.000 2.365 243 G HA2 0.349 4.308 3.960 -0.001 0.000 0.249 243 G HA3 0.349 4.308 3.960 -0.001 0.000 0.249 243 G C 0.834 175.692 174.900 -0.070 0.000 1.288 243 G CA 0.030 45.114 45.100 -0.026 0.000 0.887 243 G HN 0.960 nan 8.290 nan 0.000 0.524 244 G N 0.673 109.403 108.800 -0.116 0.000 2.939 244 G HA2 0.467 4.426 3.960 -0.001 0.000 0.210 244 G HA3 0.467 4.426 3.960 -0.001 0.000 0.210 244 G C 0.636 175.296 174.900 -0.401 0.000 1.160 244 G CA 0.989 45.977 45.100 -0.186 0.000 0.770 244 G HN 1.010 nan 8.290 nan 0.000 0.543 245 A N -0.293 122.182 122.820 -0.574 0.000 2.437 245 A HA 0.848 5.168 4.320 -0.001 0.000 0.292 245 A C -2.894 174.334 177.584 -0.593 0.000 1.173 245 A CA -1.553 49.961 52.037 -0.872 0.000 0.785 245 A CB 0.973 18.891 19.000 -1.802 0.000 1.351 245 A HN -0.001 nan 8.150 nan 0.000 0.431 246 P HA 0.203 nan 4.420 nan 0.000 0.268 246 P C -0.277 176.919 177.300 -0.174 0.000 1.205 246 P CA 0.254 63.054 63.100 -0.499 0.000 0.771 246 P CB 0.280 31.509 31.700 -0.785 0.000 0.858 247 M N 2.430 122.027 119.600 -0.005 0.000 2.531 247 M HA 0.267 4.747 4.480 -0.001 0.000 0.262 247 M C 1.791 178.191 176.300 0.167 0.000 1.168 247 M CA -0.754 54.603 55.300 0.095 0.000 0.926 247 M CB -0.146 32.545 32.600 0.153 0.000 1.445 247 M HN 0.324 nan 8.290 nan 0.000 0.531 248 I N 1.023 121.709 120.570 0.193 0.000 2.208 248 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 248 I C 1.375 177.650 176.117 0.264 0.000 1.097 248 I CA 1.860 63.286 61.300 0.209 0.000 1.363 248 I CB 0.016 38.118 38.000 0.170 0.000 1.051 248 I HN 0.569 nan 8.210 nan 0.000 0.413 249 D N 0.737 121.336 120.400 0.332 0.000 2.183 249 D HA -0.152 4.488 4.640 -0.001 0.000 0.203 249 D C 1.770 178.234 176.300 0.274 0.000 0.969 249 D CA 0.994 55.181 54.000 0.312 0.000 0.842 249 D CB -0.347 40.680 40.800 0.379 0.000 0.957 249 D HN 0.442 nan 8.370 nan 0.000 0.484 250 D N 0.461 121.046 120.400 0.308 0.000 2.144 250 D HA -0.075 4.564 4.640 -0.001 0.000 0.200 250 D C 2.306 178.812 176.300 0.343 0.000 0.978 250 D CA 0.415 54.636 54.000 0.369 0.000 0.833 250 D CB 0.002 41.083 40.800 0.468 0.000 0.961 250 D HN 0.288 nan 8.370 nan 0.000 0.470 251 I N 1.465 122.180 120.570 0.241 0.000 2.202 251 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 251 I C 2.610 178.808 176.117 0.134 0.000 1.091 251 I CA 0.943 62.346 61.300 0.171 0.000 1.368 251 I CB -0.231 37.845 38.000 0.126 0.000 1.058 251 I HN -0.089 nan 8.210 nan 0.000 0.410 252 A N 0.792 123.704 122.820 0.154 0.000 1.902 252 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 252 A C 2.538 180.182 177.584 0.101 0.000 1.181 252 A CA 1.970 54.081 52.037 0.123 0.000 0.623 252 A CB -0.851 18.225 19.000 0.127 0.000 0.818 252 A HN 0.439 nan 8.150 nan 0.000 0.443 253 A N -0.526 122.371 122.820 0.128 0.000 1.877 253 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 253 A C 2.103 179.749 177.584 0.103 0.000 1.186 253 A CA 1.705 53.800 52.037 0.098 0.000 0.620 253 A CB -0.557 18.504 19.000 0.103 0.000 0.822 253 A HN 0.571 nan 8.150 nan 0.000 0.443 254 I N -0.126 120.550 120.570 0.177 0.000 2.394 254 I HA -0.210 3.960 4.170 -0.001 0.000 0.251 254 I C 2.371 178.602 176.117 0.190 0.000 1.136 254 I CA 1.465 62.894 61.300 0.216 0.000 1.425 254 I CB -0.276 37.936 38.000 0.352 0.000 1.079 254 I HN 0.414 nan 8.210 nan 0.000 0.425 255 Q N -0.386 119.480 119.800 0.110 0.000 2.172 255 Q HA -0.191 4.148 4.340 -0.001 0.000 0.200 255 Q C 2.318 178.355 176.000 0.061 0.000 0.964 255 Q CA 1.122 56.956 55.803 0.052 0.000 0.855 255 Q CB -0.249 28.460 28.738 -0.049 0.000 0.918 255 Q HN 0.452 nan 8.270 nan 0.000 0.444 256 R N 0.774 121.305 120.500 0.052 0.000 2.105 256 R HA -0.141 4.199 4.340 -0.001 0.000 0.239 256 R C 2.000 178.356 176.300 0.094 0.000 1.135 256 R CA 1.084 57.208 56.100 0.039 0.000 0.967 256 R CB -0.067 30.230 30.300 -0.005 0.000 0.861 256 R HN 0.234 nan 8.270 nan 0.000 0.442 257 L N -1.282 119.942 121.223 0.001 0.000 2.068 257 L HA -0.103 4.236 4.340 -0.001 0.000 0.204 257 L C 1.339 177.975 176.870 -0.389 0.000 1.076 257 L CA 1.250 55.933 54.840 -0.262 0.000 0.753 257 L CB -0.157 41.544 42.059 -0.596 0.000 0.910 257 L HN 0.257 nan 8.230 nan 0.000 0.439 258 Y N -0.738 119.598 120.300 0.060 0.000 2.500 258 Y HA 0.423 4.973 4.550 -0.001 0.000 0.246 258 Y C 1.072 176.993 175.900 0.035 0.000 1.146 258 Y CA 0.046 58.169 58.100 0.038 0.000 1.230 258 Y CB 0.796 39.270 38.460 0.023 0.000 1.214 258 Y HN 0.174 nan 8.280 nan 0.000 0.526 259 G N 1.143 110.032 108.800 0.148 0.000 2.705 259 G HA2 0.085 4.045 3.960 -0.001 0.000 0.686 259 G HA3 0.085 4.045 3.960 -0.001 0.000 0.686 259 G C -0.449 174.494 174.900 0.072 0.000 1.285 259 G CA -0.813 44.350 45.100 0.105 0.000 0.800 259 G HN 0.518 nan 8.290 nan 0.000 0.611 260 A N 0.933 123.779 122.820 0.044 0.000 2.371 260 A HA 0.649 4.969 4.320 -0.001 0.000 0.257 260 A C 0.652 178.293 177.584 0.094 0.000 1.089 260 A CA 0.116 52.133 52.037 -0.034 0.000 0.794 260 A CB 0.717 19.726 19.000 0.015 0.000 1.029 260 A HN 1.389 nan 8.150 nan 0.000 0.488 261 N N 2.524 121.282 118.700 0.096 0.000 2.469 261 N HA 0.177 4.916 4.740 -0.001 0.000 0.239 261 N C 0.227 176.012 175.510 0.459 0.000 1.053 261 N CA -0.338 52.855 53.050 0.238 0.000 0.937 261 N CB 0.482 39.093 38.487 0.207 0.000 1.163 261 N HN 0.481 nan 8.380 nan 0.000 0.509 262 M N 1.739 121.532 119.600 0.322 0.000 2.505 262 M HA 0.033 4.512 4.480 -0.001 0.000 0.230 262 M C 1.322 177.729 176.300 0.179 0.000 1.153 262 M CA 0.306 55.775 55.300 0.281 0.000 0.997 262 M CB -1.249 31.468 32.600 0.195 0.000 1.606 262 M HN 0.534 nan 8.290 nan 0.000 0.481 263 T N -3.294 111.372 114.554 0.186 0.000 3.086 263 T HA 0.109 4.458 4.350 -0.001 0.000 0.250 263 T C 0.668 175.446 174.700 0.130 0.000 1.074 263 T CA 0.002 62.178 62.100 0.127 0.000 0.988 263 T CB -0.194 68.739 68.868 0.108 0.000 0.988 263 T HN 0.129 nan 8.240 nan 0.000 0.530 264 T N 3.538 118.209 114.554 0.195 0.000 2.749 264 T HA 0.418 4.768 4.350 -0.001 0.000 0.295 264 T C 0.108 174.857 174.700 0.082 0.000 0.936 264 T CA -0.551 61.665 62.100 0.194 0.000 1.060 264 T CB 0.450 69.548 68.868 0.383 0.000 0.904 264 T HN 0.375 nan 8.240 nan 0.000 0.500 265 R N 1.209 121.744 120.500 0.059 0.000 3.264 265 R HA -0.171 4.168 4.340 -0.001 0.000 0.251 265 R C 1.178 177.457 176.300 -0.036 0.000 0.971 265 R CA 0.783 56.883 56.100 0.001 0.000 0.658 265 R CB -2.191 28.116 30.300 0.012 0.000 1.095 265 R HN 0.905 nan 8.270 nan 0.000 0.443 266 T N -3.587 110.953 114.554 -0.023 0.000 3.148 266 T HA 0.123 4.473 4.350 -0.001 0.000 0.253 266 T C 1.243 175.918 174.700 -0.042 0.000 1.134 266 T CA 0.362 62.439 62.100 -0.038 0.000 1.051 266 T CB 0.535 69.394 68.868 -0.015 0.000 0.959 266 T HN 0.467 nan 8.240 nan 0.000 0.525 267 G N 0.606 109.380 108.800 -0.044 0.000 2.510 267 G HA2 0.427 4.386 3.960 -0.001 0.000 0.280 267 G HA3 0.427 4.386 3.960 -0.001 0.000 0.280 267 G C -1.044 173.818 174.900 -0.063 0.000 1.386 267 G CA -0.748 44.323 45.100 -0.049 0.000 1.047 267 G HN 0.217 nan 8.290 nan 0.000 0.527 268 D N 0.362 120.723 120.400 -0.065 0.000 2.338 268 D HA 0.419 5.059 4.640 -0.001 0.000 0.255 268 D C -0.087 176.150 176.300 -0.106 0.000 1.237 268 D CA 0.413 54.370 54.000 -0.071 0.000 0.883 268 D CB 0.938 41.701 40.800 -0.061 0.000 1.087 268 D HN 0.104 nan 8.370 nan 0.000 0.485 269 S N 0.925 116.550 115.700 -0.125 0.000 2.509 269 S HA 0.587 5.056 4.470 -0.001 0.000 0.297 269 S C -0.141 174.266 174.600 -0.322 0.000 1.118 269 S CA -0.860 57.179 58.200 -0.268 0.000 1.074 269 S CB 1.884 64.898 63.200 -0.310 0.000 1.038 269 S HN 0.124 nan 8.310 nan 0.000 0.498 270 V N 3.427 123.076 119.914 -0.442 0.000 2.448 270 V HA 0.429 4.549 4.120 -0.001 0.000 0.295 270 V C -1.416 174.368 176.094 -0.517 0.000 1.025 270 V CA -0.664 61.449 62.300 -0.311 0.000 0.859 270 V CB 0.691 32.414 31.823 -0.166 0.000 0.988 270 V HN 0.834 nan 8.190 nan 0.000 0.431 271 Y N 2.863 123.119 120.300 -0.072 0.000 2.360 271 Y HA 0.805 5.354 4.550 -0.001 0.000 0.337 271 Y C 0.962 176.861 175.900 -0.002 0.000 1.039 271 Y CA 0.762 58.790 58.100 -0.120 0.000 1.109 271 Y CB 1.957 40.334 38.460 -0.139 0.000 1.201 271 Y HN 0.961 nan 8.280 nan 0.000 0.458 272 G N 1.646 110.553 108.800 0.177 0.000 2.709 272 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.228 272 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.228 272 G C -0.828 174.034 174.900 -0.064 0.000 1.215 272 G CA -0.939 44.294 45.100 0.222 0.000 1.003 272 G HN 0.392 nan 8.290 nan 0.000 0.584 273 F N 2.588 122.577 119.950 0.065 0.000 2.450 273 F HA 0.451 4.978 4.527 -0.001 0.000 0.339 273 F C 1.624 177.399 175.800 -0.042 0.000 1.146 273 F CA 0.830 58.816 58.000 -0.023 0.000 1.267 273 F CB 0.517 39.478 39.000 -0.064 0.000 1.178 273 F HN 0.533 nan 8.300 nan 0.000 0.585 274 N N -0.004 118.765 118.700 0.116 0.000 2.725 274 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 274 N C -0.199 175.289 175.510 -0.037 0.000 1.103 274 N CA 0.738 53.806 53.050 0.031 0.000 0.707 274 N CB -1.321 37.187 38.487 0.034 0.000 1.043 274 N HN 0.462 nan 8.380 nan 0.000 0.553 275 S N 0.880 116.539 115.700 -0.070 0.000 2.576 275 S HA 0.241 4.711 4.470 -0.001 0.000 0.276 275 S C 1.169 175.676 174.600 -0.156 0.000 1.339 275 S CA -0.237 57.875 58.200 -0.146 0.000 1.039 275 S CB 0.521 63.623 63.200 -0.164 0.000 0.902 275 S HN 0.423 nan 8.310 nan 0.000 0.516 276 N N 1.794 120.367 118.700 -0.212 0.000 2.275 276 N HA 0.039 4.779 4.740 -0.001 0.000 0.236 276 N C 0.833 176.225 175.510 -0.197 0.000 1.154 276 N CA 0.220 53.165 53.050 -0.175 0.000 0.866 276 N CB -0.235 38.161 38.487 -0.151 0.000 1.093 276 N HN 0.590 nan 8.380 nan 0.000 0.515 277 T N -4.094 110.316 114.554 -0.241 0.000 3.043 277 T HA -0.024 4.326 4.350 -0.001 0.000 0.263 277 T C 0.505 175.130 174.700 -0.126 0.000 1.094 277 T CA 0.522 62.494 62.100 -0.213 0.000 1.127 277 T CB -0.356 68.376 68.868 -0.227 0.000 0.905 277 T HN 0.155 nan 8.240 nan 0.000 0.490 278 D N 1.033 121.358 120.400 -0.126 0.000 2.772 278 D HA -0.144 4.495 4.640 -0.001 0.000 0.233 278 D C -0.833 175.387 176.300 -0.134 0.000 1.143 278 D CA 0.464 54.403 54.000 -0.102 0.000 0.700 278 D CB -0.735 40.027 40.800 -0.063 0.000 1.076 278 D HN 0.395 nan 8.370 nan 0.000 0.430 279 R N 0.236 120.602 120.500 -0.224 0.000 2.476 279 R HA 0.223 4.562 4.340 -0.001 0.000 0.305 279 R C 1.092 177.099 176.300 -0.487 0.000 0.965 279 R CA -0.183 55.643 56.100 -0.457 0.000 0.867 279 R CB 1.446 31.222 30.300 -0.873 0.000 1.176 279 R HN 0.089 nan 8.270 nan 0.000 0.447 280 D N 2.769 122.973 120.400 -0.326 0.000 2.149 280 D HA -0.221 4.418 4.640 -0.001 0.000 0.198 280 D C 1.371 177.570 176.300 -0.170 0.000 0.990 280 D CA 1.511 55.408 54.000 -0.172 0.000 0.839 280 D CB -0.386 40.387 40.800 -0.045 0.000 0.948 280 D HN 0.587 nan 8.370 nan 0.000 0.460 281 F N -1.519 118.333 119.950 -0.162 0.000 2.604 281 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 281 F C 1.557 177.272 175.800 -0.142 0.000 1.131 281 F CA -0.102 57.794 58.000 -0.173 0.000 1.457 281 F CB -0.987 37.858 39.000 -0.258 0.000 1.095 281 F HN -0.080 nan 8.300 nan 0.000 0.574 282 Y N 0.344 120.386 120.300 -0.429 0.000 2.458 282 Y HA 0.281 4.830 4.550 -0.001 0.000 0.256 282 Y C 0.236 175.995 175.900 -0.234 0.000 1.159 282 Y CA -0.553 57.289 58.100 -0.431 0.000 1.261 282 Y CB 0.453 38.631 38.460 -0.471 0.000 1.119 282 Y HN -0.115 nan 8.280 nan 0.000 0.524 283 T N 1.165 115.684 114.554 -0.059 0.000 2.807 283 T HA 0.675 5.025 4.350 -0.001 0.000 0.279 283 T C -0.549 174.063 174.700 -0.147 0.000 0.993 283 T CA -0.632 61.404 62.100 -0.106 0.000 0.970 283 T CB 1.533 70.324 68.868 -0.127 0.000 0.950 283 T HN 0.137 nan 8.240 nan 0.000 0.441 284 A N 1.960 124.596 122.820 -0.306 0.000 2.304 284 A HA 0.606 4.926 4.320 -0.001 0.000 0.314 284 A C 1.153 178.461 177.584 -0.459 0.000 1.187 284 A CA -0.682 51.047 52.037 -0.514 0.000 0.810 284 A CB 0.645 18.985 19.000 -1.099 0.000 1.183 284 A HN 0.885 nan 8.150 nan 0.000 0.487 285 T N -1.346 113.089 114.554 -0.198 0.000 3.037 285 T HA 0.295 4.645 4.350 -0.001 0.000 0.251 285 T C 0.247 174.992 174.700 0.074 0.000 1.079 285 T CA 0.972 63.045 62.100 -0.046 0.000 1.067 285 T CB -0.446 68.406 68.868 -0.026 0.000 0.948 285 T HN 0.795 nan 8.240 nan 0.000 0.496 286 D N -0.140 120.319 120.400 0.098 0.000 2.692 286 D HA 0.319 4.959 4.640 -0.001 0.000 0.303 286 D C 0.863 177.340 176.300 0.296 0.000 1.278 286 D CA -0.159 53.983 54.000 0.236 0.000 0.852 286 D CB 0.741 41.613 40.800 0.119 0.000 1.375 286 D HN -0.039 nan 8.370 nan 0.000 0.453 287 S N -0.924 114.934 115.700 0.263 0.000 2.515 287 S HA -0.094 4.376 4.470 -0.001 0.000 0.231 287 S C 1.479 176.275 174.600 0.327 0.000 0.987 287 S CA 1.064 59.444 58.200 0.300 0.000 0.936 287 S CB -0.834 62.468 63.200 0.170 0.000 0.766 287 S HN 0.617 nan 8.310 nan 0.000 0.528 288 S N 0.392 116.213 115.700 0.203 0.000 2.528 288 S HA 0.233 4.702 4.470 -0.001 0.000 0.219 288 S C 0.470 175.144 174.600 0.124 0.000 0.985 288 S CA -0.384 57.908 58.200 0.153 0.000 0.914 288 S CB -0.215 63.048 63.200 0.105 0.000 0.776 288 S HN 0.210 nan 8.310 nan 0.000 0.526 289 K N 2.695 123.168 120.400 0.122 0.000 2.276 289 K HA 0.594 4.914 4.320 -0.001 0.000 0.283 289 K C -0.166 176.441 176.600 0.012 0.000 1.044 289 K CA -0.027 56.274 56.287 0.024 0.000 0.944 289 K CB 1.005 33.485 32.500 -0.033 0.000 1.012 289 K HN 0.307 nan 8.250 nan 0.000 0.472 290 A N 4.325 127.019 122.820 -0.211 0.000 2.331 290 A HA 0.502 4.822 4.320 -0.001 0.000 0.283 290 A C -0.261 177.198 177.584 -0.208 0.000 1.142 290 A CA -0.614 51.225 52.037 -0.329 0.000 0.812 290 A CB 0.212 18.717 19.000 -0.825 0.000 1.074 290 A HN 0.664 nan 8.150 nan 0.000 0.497 291 L N 2.809 123.930 121.223 -0.171 0.000 2.296 291 L HA 0.562 4.902 4.340 -0.001 0.000 0.286 291 L C -0.768 175.946 176.870 -0.261 0.000 1.023 291 L CA -0.109 54.677 54.840 -0.090 0.000 0.812 291 L CB 1.373 43.433 42.059 0.002 0.000 1.223 291 L HN 0.590 nan 8.230 nan 0.000 0.421 292 I N 4.904 125.377 120.570 -0.161 0.000 2.503 292 I HA 0.425 4.594 4.170 -0.001 0.000 0.282 292 I C -1.001 175.092 176.117 -0.039 0.000 1.059 292 I CA -0.392 60.714 61.300 -0.323 0.000 1.081 292 I CB 1.174 38.914 38.000 -0.433 0.000 1.210 292 I HN 0.416 nan 8.210 nan 0.000 0.450 293 F N 3.150 123.053 119.950 -0.079 0.000 2.693 293 F HA 0.697 5.224 4.527 -0.001 0.000 0.309 293 F C -1.116 174.722 175.800 0.063 0.000 1.129 293 F CA -1.162 56.865 58.000 0.045 0.000 0.948 293 F CB 1.591 40.754 39.000 0.272 0.000 1.315 293 F HN 0.144 nan 8.300 nan 0.000 0.447 294 S N 1.870 117.834 115.700 0.440 0.000 2.596 294 S HA 0.612 5.082 4.470 -0.001 0.000 0.318 294 S C -1.425 173.505 174.600 0.550 0.000 1.097 294 S CA -0.627 57.783 58.200 0.350 0.000 1.080 294 S CB 1.129 64.428 63.200 0.166 0.000 0.991 294 S HN 1.086 nan 8.310 nan 0.000 0.471 295 V N 7.788 128.020 119.914 0.530 0.000 2.530 295 V HA 0.487 4.607 4.120 -0.001 0.000 0.282 295 V C -0.516 175.749 176.094 0.286 0.000 1.048 295 V CA -0.565 61.911 62.300 0.293 0.000 0.997 295 V CB 0.839 32.541 31.823 -0.201 0.000 0.987 295 V HN 0.918 nan 8.190 nan 0.000 0.477 296 W N 7.653 129.047 121.300 0.156 0.000 2.529 296 W HA 0.560 5.220 4.660 -0.001 0.000 0.321 296 W C -1.282 175.290 176.519 0.087 0.000 1.047 296 W CA -0.645 56.776 57.345 0.128 0.000 1.216 296 W CB 1.634 31.210 29.460 0.193 0.000 1.357 296 W HN 0.680 nan 8.180 nan 0.000 0.489 297 D N 3.768 123.657 120.400 -0.852 0.000 2.966 297 D HA 0.352 4.992 4.640 -0.001 0.000 0.222 297 D C -0.603 175.210 176.300 -0.811 0.000 1.292 297 D CA -0.225 53.423 54.000 -0.587 0.000 0.907 297 D CB 2.303 42.949 40.800 -0.256 0.000 1.621 297 D HN 0.430 nan 8.370 nan 0.000 0.557 298 A N 1.982 124.478 122.820 -0.540 0.000 2.430 298 A HA 0.656 4.975 4.320 -0.001 0.000 0.243 298 A C 0.733 178.197 177.584 -0.200 0.000 1.254 298 A CA 0.624 52.421 52.037 -0.400 0.000 0.914 298 A CB 0.227 19.144 19.000 -0.138 0.000 0.998 298 A HN 0.659 nan 8.150 nan 0.000 0.515 299 G N -2.845 105.851 108.800 -0.174 0.000 2.338 299 G HA2 0.608 4.568 3.960 -0.001 0.000 0.295 299 G HA3 0.608 4.568 3.960 -0.001 0.000 0.295 299 G C -0.033 174.814 174.900 -0.088 0.000 1.461 299 G CA 0.247 45.282 45.100 -0.108 0.000 0.817 299 G HN 1.943 nan 8.290 nan 0.000 0.556 300 G N -1.411 107.347 108.800 -0.070 0.000 2.685 300 G HA2 0.364 4.324 3.960 -0.001 0.000 0.387 300 G HA3 0.364 4.324 3.960 -0.001 0.000 0.387 300 G C -0.291 174.573 174.900 -0.061 0.000 1.324 300 G CA 0.137 45.202 45.100 -0.059 0.000 0.878 300 G HN 1.580 nan 8.290 nan 0.000 0.527 301 T N 2.364 116.886 114.554 -0.053 0.000 2.770 301 T HA 0.594 4.943 4.350 -0.001 0.000 0.297 301 T C -0.679 173.992 174.700 -0.048 0.000 0.997 301 T CA -0.389 61.681 62.100 -0.050 0.000 0.949 301 T CB 0.986 69.830 68.868 -0.040 0.000 0.941 301 T HN 0.547 nan 8.240 nan 0.000 0.457 302 D N 2.186 122.557 120.400 -0.049 0.000 2.340 302 D HA 0.553 5.193 4.640 -0.001 0.000 0.240 302 D C -0.456 175.832 176.300 -0.020 0.000 1.001 302 D CA -0.459 53.532 54.000 -0.016 0.000 0.888 302 D CB 2.208 43.027 40.800 0.031 0.000 1.310 302 D HN 0.299 nan 8.370 nan 0.000 0.474 303 T N 0.705 115.283 114.554 0.041 0.000 2.881 303 T HA 0.340 4.689 4.350 -0.001 0.000 0.290 303 T C -0.351 174.464 174.700 0.193 0.000 1.000 303 T CA -0.536 61.587 62.100 0.039 0.000 0.978 303 T CB 0.910 69.780 68.868 0.003 0.000 0.997 303 T HN 0.165 nan 8.240 nan 0.000 0.443 304 F N 2.800 122.674 119.950 -0.127 0.000 2.375 304 F HA 0.206 4.732 4.527 -0.001 0.000 0.362 304 F C 0.637 176.069 175.800 -0.613 0.000 1.129 304 F CA -0.836 56.899 58.000 -0.442 0.000 1.154 304 F CB 0.652 39.357 39.000 -0.492 0.000 1.205 304 F HN 0.448 nan 8.300 nan 0.000 0.513 305 D N 5.539 125.751 120.400 -0.313 0.000 2.467 305 D HA 0.137 4.777 4.640 -0.001 0.000 0.220 305 D C -0.451 175.876 176.300 0.044 0.000 1.103 305 D CA -0.310 53.623 54.000 -0.111 0.000 0.886 305 D CB 0.302 41.122 40.800 0.033 0.000 1.025 305 D HN 0.210 nan 8.370 nan 0.000 0.514 306 F N 1.527 121.651 119.950 0.291 0.000 2.923 306 F HA 0.108 4.634 4.527 -0.001 0.000 0.314 306 F C 2.130 178.016 175.800 0.143 0.000 1.196 306 F CA -0.604 57.612 58.000 0.360 0.000 1.320 306 F CB -0.225 38.998 39.000 0.371 0.000 0.953 306 F HN 0.257 nan 8.300 nan 0.000 0.505 307 S N -1.223 114.520 115.700 0.071 0.000 2.481 307 S HA -0.011 4.458 4.470 -0.001 0.000 0.231 307 S C 2.101 176.418 174.600 -0.471 0.000 0.996 307 S CA 0.869 58.980 58.200 -0.148 0.000 0.942 307 S CB -0.415 62.702 63.200 -0.138 0.000 0.768 307 S HN 0.384 nan 8.310 nan 0.000 0.520 308 G N -0.486 107.551 108.800 -1.272 0.000 2.985 308 G HA2 0.240 4.200 3.960 -0.001 0.000 0.209 308 G HA3 0.240 4.200 3.960 -0.001 0.000 0.209 308 G C -0.012 174.470 174.900 -0.697 0.000 1.165 308 G CA -0.330 43.860 45.100 -1.518 0.000 0.776 308 G HN 0.559 nan 8.290 nan 0.000 0.541 309 Y N 0.233 120.428 120.300 -0.174 0.000 2.376 309 Y HA 0.334 4.884 4.550 -0.001 0.000 0.325 309 Y C 1.490 177.378 175.900 -0.021 0.000 1.199 309 Y CA -0.565 57.537 58.100 0.004 0.000 1.206 309 Y CB 2.076 40.593 38.460 0.095 0.000 1.229 309 Y HN 0.080 nan 8.280 nan 0.000 0.480 310 S N -0.858 114.947 115.700 0.174 0.000 2.523 310 S HA 0.115 4.584 4.470 -0.001 0.000 0.217 310 S C 0.007 174.641 174.600 0.058 0.000 0.996 310 S CA -0.553 57.696 58.200 0.080 0.000 0.921 310 S CB -0.258 62.972 63.200 0.050 0.000 0.829 310 S HN 0.613 nan 8.310 nan 0.000 0.495 311 N N 3.317 122.052 118.700 0.058 0.000 2.416 311 N HA 0.093 4.832 4.740 -0.001 0.000 0.246 311 N C -0.880 174.626 175.510 -0.007 0.000 1.260 311 N CA 0.004 53.051 53.050 -0.005 0.000 0.897 311 N CB 0.151 38.595 38.487 -0.071 0.000 1.110 311 N HN 0.247 nan 8.380 nan 0.000 0.439 312 N N 2.070 120.750 118.700 -0.033 0.000 2.452 312 N HA 0.031 4.771 4.740 -0.001 0.000 0.266 312 N C -0.127 175.339 175.510 -0.074 0.000 1.209 312 N CA 0.342 53.363 53.050 -0.048 0.000 0.929 312 N CB 0.644 39.093 38.487 -0.065 0.000 1.063 312 N HN 0.425 nan 8.380 nan 0.000 0.472 313 Q N 1.693 121.458 119.800 -0.058 0.000 2.351 313 Q HA 0.551 4.890 4.340 -0.001 0.000 0.273 313 Q C -0.353 175.558 176.000 -0.148 0.000 1.077 313 Q CA -0.802 54.956 55.803 -0.075 0.000 0.843 313 Q CB 2.452 31.206 28.738 0.025 0.000 1.367 313 Q HN 0.294 nan 8.270 nan 0.000 0.449 314 R N 1.439 121.804 120.500 -0.226 0.000 2.451 314 R HA 0.527 4.867 4.340 -0.001 0.000 0.307 314 R C -0.970 175.313 176.300 -0.028 0.000 0.965 314 R CA -0.370 55.420 56.100 -0.517 0.000 0.865 314 R CB 1.036 30.543 30.300 -1.321 0.000 1.174 314 R HN 0.520 nan 8.270 nan 0.000 0.455 315 I N 2.419 123.138 120.570 0.249 0.000 2.389 315 I HA 0.255 4.425 4.170 -0.001 0.000 0.288 315 I C -0.422 176.084 176.117 0.648 0.000 0.999 315 I CA -0.805 60.817 61.300 0.536 0.000 1.129 315 I CB 1.704 40.014 38.000 0.517 0.000 1.288 315 I HN 0.386 nan 8.210 nan 0.000 0.444 316 N N 6.813 125.866 118.700 0.589 0.000 2.407 316 N HA 0.395 5.135 4.740 -0.001 0.000 0.277 316 N C 0.003 175.643 175.510 0.217 0.000 0.995 316 N CA -0.465 52.764 53.050 0.298 0.000 0.903 316 N CB 1.909 40.353 38.487 -0.072 0.000 1.218 316 N HN 0.599 nan 8.380 nan 0.000 0.487 317 L N 1.550 122.847 121.223 0.122 0.000 2.591 317 L HA 0.198 4.537 4.340 -0.001 0.000 0.228 317 L C 0.453 177.308 176.870 -0.025 0.000 1.133 317 L CA 0.015 54.844 54.840 -0.017 0.000 0.880 317 L CB -0.259 41.767 42.059 -0.055 0.000 1.033 317 L HN 0.391 nan 8.230 nan 0.000 0.450 318 N N 2.125 120.837 118.700 0.019 0.000 2.497 318 N HA -0.029 4.711 4.740 -0.001 0.000 0.268 318 N C 0.148 175.670 175.510 0.019 0.000 1.171 318 N CA 0.185 53.245 53.050 0.017 0.000 0.948 318 N CB 0.867 39.368 38.487 0.024 0.000 1.069 318 N HN 0.233 nan 8.380 nan 0.000 0.460 319 E N 0.922 121.133 120.200 0.018 0.000 2.529 319 E HA -0.040 4.310 4.350 -0.001 0.000 0.259 319 E C 0.867 177.523 176.600 0.093 0.000 0.966 319 E CA 0.672 57.097 56.400 0.041 0.000 0.937 319 E CB 0.074 29.793 29.700 0.032 0.000 0.923 319 E HN 0.794 nan 8.360 nan 0.000 0.468 320 G N 3.124 111.984 108.800 0.101 0.000 2.179 320 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.260 320 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.260 320 G C 0.189 175.133 174.900 0.074 0.000 0.977 320 G CA 0.518 45.691 45.100 0.122 0.000 0.641 320 G HN 0.965 nan 8.290 nan 0.000 0.533 321 S N -0.518 115.203 115.700 0.034 0.000 2.687 321 S HA 0.827 5.296 4.470 -0.001 0.000 0.283 321 S C -0.308 174.270 174.600 -0.036 0.000 1.170 321 S CA -0.775 57.472 58.200 0.078 0.000 1.008 321 S CB 1.739 64.970 63.200 0.051 0.000 1.026 321 S HN 0.417 nan 8.310 nan 0.000 0.541 322 F N 0.706 120.729 119.950 0.122 0.000 2.458 322 F HA 0.621 5.148 4.527 -0.001 0.000 0.330 322 F C 0.755 176.782 175.800 0.378 0.000 1.082 322 F CA -0.339 57.759 58.000 0.163 0.000 0.995 322 F CB 2.307 41.320 39.000 0.021 0.000 1.170 322 F HN 0.617 nan 8.300 nan 0.000 0.478 323 S N 0.729 116.723 115.700 0.490 0.000 2.600 323 S HA 0.464 4.933 4.470 -0.001 0.000 0.300 323 S C -1.614 173.190 174.600 0.341 0.000 1.087 323 S CA -0.926 57.571 58.200 0.496 0.000 0.965 323 S CB 1.562 64.973 63.200 0.352 0.000 1.089 323 S HN 0.372 nan 8.310 nan 0.000 0.496 324 D N 2.003 122.530 120.400 0.211 0.000 2.460 324 D HA 0.454 5.093 4.640 -0.001 0.000 0.232 324 D C -1.006 175.227 176.300 -0.112 0.000 1.079 324 D CA -0.077 53.955 54.000 0.053 0.000 0.864 324 D CB 1.429 42.229 40.800 -0.000 0.000 1.048 324 D HN 0.102 nan 8.370 nan 0.000 0.523 325 V N 0.658 120.426 119.914 -0.244 0.000 2.604 325 V HA 0.590 4.710 4.120 -0.001 0.000 0.305 325 V C 1.095 176.853 176.094 -0.561 0.000 1.043 325 V CA -0.626 61.407 62.300 -0.445 0.000 0.888 325 V CB 1.777 33.117 31.823 -0.807 0.000 0.995 325 V HN 0.805 nan 8.190 nan 0.000 0.429 326 G N 3.331 111.675 108.800 -0.760 0.000 2.283 326 G HA2 0.043 4.003 3.960 -0.001 0.000 0.280 326 G HA3 0.043 4.003 3.960 -0.001 0.000 0.280 326 G C 1.174 175.710 174.900 -0.607 0.000 1.029 326 G CA 0.849 45.148 45.100 -1.334 0.000 0.840 326 G HN 2.367 nan 8.290 nan 0.000 0.505 327 G N -2.859 105.740 108.800 -0.336 0.000 2.179 327 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.260 327 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.260 327 G C 0.348 175.173 174.900 -0.126 0.000 0.977 327 G CA 0.846 45.836 45.100 -0.183 0.000 0.641 327 G HN 1.282 nan 8.290 nan 0.000 0.533 328 L N -0.099 121.033 121.223 -0.152 0.000 2.416 328 L HA 0.728 5.067 4.340 -0.001 0.000 0.263 328 L C 0.659 177.539 176.870 0.017 0.000 1.065 328 L CA -0.483 54.334 54.840 -0.039 0.000 0.798 328 L CB 0.924 42.953 42.059 -0.051 0.000 1.267 328 L HN 0.086 nan 8.230 nan 0.000 0.467 329 K N 0.013 120.492 120.400 0.132 0.000 2.376 329 K HA 0.542 4.861 4.320 -0.001 0.000 0.257 329 K C 0.221 177.001 176.600 0.300 0.000 0.939 329 K CA -0.185 56.223 56.287 0.203 0.000 0.809 329 K CB 1.550 34.159 32.500 0.182 0.000 1.121 329 K HN 0.753 nan 8.250 nan 0.000 0.425 330 G N 2.589 111.607 108.800 0.362 0.000 2.198 330 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.260 330 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.260 330 G C 0.424 175.535 174.900 0.351 0.000 1.025 330 G CA 0.650 45.941 45.100 0.319 0.000 0.769 330 G HN 0.830 nan 8.290 nan 0.000 0.507 331 N N -1.051 117.739 118.700 0.150 0.000 2.373 331 N HA 0.126 4.866 4.740 -0.001 0.000 0.181 331 N C 0.419 175.705 175.510 -0.373 0.000 1.082 331 N CA 0.731 53.639 53.050 -0.236 0.000 0.885 331 N CB 0.606 38.815 38.487 -0.462 0.000 0.977 331 N HN 0.410 nan 8.380 nan 0.000 0.462 332 V N 1.138 120.869 119.914 -0.304 0.000 2.588 332 V HA 0.543 4.662 4.120 -0.001 0.000 0.304 332 V C -0.385 175.526 176.094 -0.305 0.000 1.042 332 V CA -0.667 61.295 62.300 -0.563 0.000 0.877 332 V CB 1.774 33.126 31.823 -0.785 0.000 0.996 332 V HN 0.485 nan 8.190 nan 0.000 0.425 333 S N 4.896 120.394 115.700 -0.337 0.000 2.651 333 S HA 0.788 5.258 4.470 -0.001 0.000 0.279 333 S C -1.127 173.453 174.600 -0.033 0.000 1.148 333 S CA -0.830 57.123 58.200 -0.412 0.000 0.837 333 S CB 2.022 64.552 63.200 -1.116 0.000 1.138 333 S HN 0.447 nan 8.310 nan 0.000 0.478 334 I N 1.718 122.277 120.570 -0.019 0.000 2.389 334 I HA 0.568 4.737 4.170 -0.001 0.000 0.288 334 I C 0.635 176.804 176.117 0.087 0.000 0.999 334 I CA -0.859 60.501 61.300 0.100 0.000 1.129 334 I CB 1.571 39.608 38.000 0.061 0.000 1.288 334 I HN 0.969 nan 8.210 nan 0.000 0.444 335 A N 5.956 128.882 122.820 0.177 0.000 2.448 335 A HA 0.062 4.382 4.320 -0.001 0.000 0.239 335 A C 0.212 177.956 177.584 0.267 0.000 1.080 335 A CA -0.036 52.156 52.037 0.258 0.000 0.779 335 A CB 0.041 19.290 19.000 0.415 0.000 1.026 335 A HN 0.826 nan 8.150 nan 0.000 0.499 336 H N 0.118 119.309 119.070 0.201 0.000 2.928 336 H HA 0.253 4.809 4.556 -0.001 0.000 0.338 336 H C 1.375 176.863 175.328 0.267 0.000 1.047 336 H CA 1.644 57.802 56.048 0.182 0.000 1.435 336 H CB 0.365 30.219 29.762 0.153 0.000 1.428 336 H HN 1.325 nan 8.280 nan 0.000 0.590 337 G N 3.627 112.207 108.800 -0.367 0.000 2.157 337 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.239 337 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.239 337 G C -0.397 174.439 174.900 -0.108 0.000 0.982 337 G CA 0.178 45.174 45.100 -0.173 0.000 0.650 337 G HN 0.618 nan 8.290 nan 0.000 0.527 338 V N 0.841 120.688 119.914 -0.111 0.000 2.604 338 V HA 0.735 4.855 4.120 -0.001 0.000 0.305 338 V C 0.125 176.125 176.094 -0.157 0.000 1.043 338 V CA -0.280 61.901 62.300 -0.199 0.000 0.888 338 V CB 2.028 33.747 31.823 -0.173 0.000 0.995 338 V HN 0.243 nan 8.190 nan 0.000 0.429 339 T N 6.064 120.511 114.554 -0.177 0.000 2.772 339 T HA 0.563 4.912 4.350 -0.001 0.000 0.288 339 T C -0.413 174.179 174.700 -0.179 0.000 0.994 339 T CA -0.251 61.761 62.100 -0.147 0.000 0.951 339 T CB 0.542 69.343 68.868 -0.112 0.000 0.933 339 T HN 0.276 nan 8.240 nan 0.000 0.447 340 I N 3.402 123.837 120.570 -0.225 0.000 2.359 340 I HA 0.386 4.555 4.170 -0.001 0.000 0.294 340 I C 0.881 176.864 176.117 -0.224 0.000 0.987 340 I CA -0.615 60.507 61.300 -0.297 0.000 1.225 340 I CB 1.764 39.400 38.000 -0.606 0.000 1.366 340 I HN 0.627 nan 8.210 nan 0.000 0.466 341 E N 3.139 123.242 120.200 -0.162 0.000 2.201 341 E HA 0.113 4.462 4.350 -0.001 0.000 0.193 341 E C -0.248 176.313 176.600 -0.066 0.000 0.957 341 E CA 0.683 57.026 56.400 -0.094 0.000 0.858 341 E CB 0.348 30.010 29.700 -0.063 0.000 0.816 341 E HN 0.522 nan 8.360 nan 0.000 0.475 342 N N -0.302 118.354 118.700 -0.073 0.000 2.328 342 N HA 0.687 5.426 4.740 -0.001 0.000 0.299 342 N C -1.240 174.263 175.510 -0.011 0.000 1.179 342 N CA -0.567 52.473 53.050 -0.017 0.000 0.793 342 N CB 2.125 40.611 38.487 -0.002 0.000 1.366 342 N HN 0.029 nan 8.380 nan 0.000 0.493 343 A N 0.693 123.543 122.820 0.050 0.000 2.549 343 A HA 0.764 5.084 4.320 -0.001 0.000 0.297 343 A C -1.273 176.366 177.584 0.091 0.000 1.061 343 A CA -0.579 51.509 52.037 0.086 0.000 0.690 343 A CB 1.046 20.143 19.000 0.162 0.000 1.287 343 A HN 0.569 nan 8.150 nan 0.000 0.402 344 I N 2.166 122.778 120.570 0.069 0.000 2.439 344 I HA 0.485 4.654 4.170 -0.001 0.000 0.285 344 I C 0.876 177.075 176.117 0.136 0.000 1.021 344 I CA -0.616 60.731 61.300 0.079 0.000 1.091 344 I CB 1.954 39.972 38.000 0.030 0.000 1.242 344 I HN 0.799 nan 8.210 nan 0.000 0.439 345 G N 3.575 112.464 108.800 0.148 0.000 2.621 345 G HA2 0.594 4.554 3.960 -0.001 0.000 0.271 345 G HA3 0.594 4.554 3.960 -0.001 0.000 0.271 345 G C 0.187 175.163 174.900 0.128 0.000 1.236 345 G CA -0.077 45.128 45.100 0.175 0.000 0.958 345 G HN 0.709 nan 8.290 nan 0.000 0.512 346 G N -1.604 107.272 108.800 0.126 0.000 2.857 346 G HA2 0.407 4.367 3.960 -0.001 0.000 0.217 346 G HA3 0.407 4.367 3.960 -0.001 0.000 0.217 346 G C 1.209 176.132 174.900 0.037 0.000 1.357 346 G CA 0.736 45.875 45.100 0.065 0.000 1.033 346 G HN 1.113 nan 8.290 nan 0.000 0.571 347 S N -1.018 114.694 115.700 0.020 0.000 2.603 347 S HA 0.269 4.738 4.470 -0.001 0.000 0.220 347 S C 1.238 175.847 174.600 0.015 0.000 0.967 347 S CA 0.373 58.579 58.200 0.009 0.000 0.920 347 S CB -0.217 62.981 63.200 -0.004 0.000 0.773 347 S HN 0.836 nan 8.310 nan 0.000 0.529 348 G N 1.456 110.272 108.800 0.028 0.000 2.621 348 G HA2 0.348 4.308 3.960 -0.001 0.000 0.271 348 G HA3 0.348 4.308 3.960 -0.001 0.000 0.271 348 G C -0.462 174.440 174.900 0.003 0.000 1.236 348 G CA -0.864 44.245 45.100 0.014 0.000 0.958 348 G HN 0.349 nan 8.290 nan 0.000 0.512 349 N N 1.634 120.326 118.700 -0.013 0.000 2.439 349 N HA 0.211 4.950 4.740 -0.001 0.000 0.243 349 N C -0.824 174.663 175.510 -0.038 0.000 1.088 349 N CA -0.000 53.035 53.050 -0.025 0.000 0.940 349 N CB 1.165 39.633 38.487 -0.032 0.000 1.180 349 N HN 0.365 nan 8.380 nan 0.000 0.505 350 D N 1.280 121.664 120.400 -0.028 0.000 2.326 350 D HA 0.488 5.127 4.640 -0.001 0.000 0.248 350 D C 0.388 176.656 176.300 -0.053 0.000 1.001 350 D CA -0.328 53.652 54.000 -0.034 0.000 0.961 350 D CB 2.039 42.855 40.800 0.026 0.000 1.183 350 D HN 0.247 nan 8.370 nan 0.000 0.502 351 I N 1.194 121.706 120.570 -0.096 0.000 2.389 351 I HA 0.222 4.392 4.170 -0.001 0.000 0.288 351 I C -1.006 175.132 176.117 0.035 0.000 0.999 351 I CA -0.733 60.521 61.300 -0.076 0.000 1.129 351 I CB 1.398 39.263 38.000 -0.225 0.000 1.288 351 I HN -0.049 nan 8.210 nan 0.000 0.444 352 L N 7.626 128.929 121.223 0.134 0.000 2.319 352 L HA 0.493 4.833 4.340 -0.001 0.000 0.281 352 L C -0.421 176.618 176.870 0.283 0.000 1.005 352 L CA -0.478 54.497 54.840 0.225 0.000 0.828 352 L CB 1.780 43.955 42.059 0.193 0.000 1.227 352 L HN 0.237 nan 8.230 nan 0.000 0.415 353 V N 3.197 123.324 119.914 0.355 0.000 2.378 353 V HA 0.677 4.796 4.120 -0.001 0.000 0.288 353 V C 0.781 177.040 176.094 0.275 0.000 1.016 353 V CA -0.581 61.937 62.300 0.364 0.000 0.840 353 V CB 1.226 33.243 31.823 0.323 0.000 0.994 353 V HN 0.833 nan 8.190 nan 0.000 0.431 354 G N 4.277 113.224 108.800 0.244 0.000 2.588 354 G HA2 0.438 4.397 3.960 -0.001 0.000 0.278 354 G HA3 0.438 4.397 3.960 -0.001 0.000 0.278 354 G C -0.166 174.806 174.900 0.119 0.000 1.307 354 G CA -0.358 44.819 45.100 0.128 0.000 1.016 354 G HN 0.807 nan 8.290 nan 0.000 0.503 355 N N -3.250 115.483 118.700 0.055 0.000 3.294 355 N HA 0.292 5.031 4.740 -0.001 0.000 0.355 355 N C 1.034 176.561 175.510 0.028 0.000 1.497 355 N CA 0.091 53.170 53.050 0.049 0.000 0.707 355 N CB 0.582 39.079 38.487 0.017 0.000 1.732 355 N HN 0.384 nan 8.380 nan 0.000 0.640 356 S N -2.101 113.614 115.700 0.025 0.000 2.561 356 S HA 0.285 4.755 4.470 -0.001 0.000 0.225 356 S C 0.937 175.538 174.600 0.002 0.000 0.977 356 S CA -0.120 58.091 58.200 0.019 0.000 0.926 356 S CB -0.846 62.370 63.200 0.027 0.000 0.769 356 S HN 0.823 nan 8.310 nan 0.000 0.533 357 A N 1.647 124.462 122.820 -0.008 0.000 2.280 357 A HA 0.434 4.754 4.320 -0.001 0.000 0.268 357 A C -0.255 177.320 177.584 -0.016 0.000 1.111 357 A CA -0.495 51.531 52.037 -0.018 0.000 0.814 357 A CB -0.033 18.949 19.000 -0.031 0.000 1.093 357 A HN 0.318 nan 8.150 nan 0.000 0.498 358 D N 1.054 121.444 120.400 -0.018 0.000 2.336 358 D HA 0.319 4.959 4.640 -0.001 0.000 0.249 358 D C -0.636 175.664 176.300 0.001 0.000 1.213 358 D CA 0.568 54.562 54.000 -0.011 0.000 0.870 358 D CB 0.240 41.030 40.800 -0.016 0.000 1.076 358 D HN 0.485 nan 8.370 nan 0.000 0.483 359 N N 1.456 120.166 118.700 0.016 0.000 2.361 359 N HA 0.501 5.240 4.740 -0.001 0.000 0.302 359 N C -0.441 175.111 175.510 0.069 0.000 1.074 359 N CA -0.674 52.394 53.050 0.030 0.000 0.850 359 N CB 2.081 40.589 38.487 0.034 0.000 1.228 359 N HN 0.236 nan 8.380 nan 0.000 0.491 360 I N 2.485 123.103 120.570 0.081 0.000 2.330 360 I HA 0.287 4.457 4.170 -0.001 0.000 0.289 360 I C -0.784 175.426 176.117 0.154 0.000 1.001 360 I CA -0.487 60.898 61.300 0.142 0.000 1.193 360 I CB 0.638 38.718 38.000 0.133 0.000 1.345 360 I HN 0.282 nan 8.210 nan 0.000 0.461 361 L N 6.940 128.289 121.223 0.211 0.000 2.322 361 L HA 0.514 4.853 4.340 -0.001 0.000 0.281 361 L C -0.539 176.497 176.870 0.276 0.000 1.014 361 L CA -0.603 54.362 54.840 0.208 0.000 0.815 361 L CB 1.634 43.814 42.059 0.201 0.000 1.247 361 L HN 0.554 nan 8.230 nan 0.000 0.421 362 Q N 1.434 121.360 119.800 0.210 0.000 2.309 362 Q HA 0.278 4.618 4.340 -0.001 0.000 0.270 362 Q C 0.789 176.883 176.000 0.158 0.000 1.023 362 Q CA -0.395 55.533 55.803 0.208 0.000 0.758 362 Q CB 2.299 31.096 28.738 0.098 0.000 1.247 362 Q HN 0.882 nan 8.270 nan 0.000 0.455 363 G N 1.906 110.803 108.800 0.161 0.000 2.448 363 G HA2 0.206 4.165 3.960 -0.001 0.000 0.218 363 G HA3 0.206 4.165 3.960 -0.001 0.000 0.218 363 G C 0.731 175.678 174.900 0.079 0.000 1.135 363 G CA 0.577 45.738 45.100 0.103 0.000 0.784 363 G HN 0.934 nan 8.290 nan 0.000 0.543 364 G N -0.575 108.271 108.800 0.077 0.000 2.698 364 G HA2 0.274 4.233 3.960 -0.001 0.000 0.233 364 G HA3 0.274 4.233 3.960 -0.001 0.000 0.233 364 G C 0.462 175.384 174.900 0.036 0.000 1.352 364 G CA -0.003 45.123 45.100 0.045 0.000 0.879 364 G HN 1.388 nan 8.290 nan 0.000 0.567 365 A N -0.735 122.096 122.820 0.018 0.000 2.346 365 A HA 0.902 5.221 4.320 -0.001 0.000 0.255 365 A C 1.825 179.414 177.584 0.009 0.000 1.113 365 A CA 1.966 54.010 52.037 0.012 0.000 0.798 365 A CB -0.192 18.809 19.000 0.002 0.000 1.073 365 A HN 3.054 nan 8.150 nan 0.000 0.502 366 G N -0.442 108.359 108.800 0.002 0.000 2.746 366 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.685 366 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.685 366 G C -0.751 174.141 174.900 -0.013 0.000 1.350 366 G CA -0.277 44.820 45.100 -0.004 0.000 0.837 366 G HN 1.024 nan 8.290 nan 0.000 0.564 367 N N 2.095 120.782 118.700 -0.021 0.000 2.500 367 N HA 0.369 5.109 4.740 -0.001 0.000 0.236 367 N C -0.701 174.782 175.510 -0.045 0.000 1.022 367 N CA -0.203 52.826 53.050 -0.035 0.000 0.935 367 N CB 0.994 39.464 38.487 -0.030 0.000 1.147 367 N HN 0.529 nan 8.380 nan 0.000 0.512 368 D N 0.468 120.829 120.400 -0.065 0.000 2.228 368 D HA 0.366 5.005 4.640 -0.001 0.000 0.247 368 D C -0.132 176.104 176.300 -0.107 0.000 0.995 368 D CA -0.426 53.534 54.000 -0.066 0.000 0.903 368 D CB 2.616 43.390 40.800 -0.043 0.000 1.205 368 D HN -0.015 nan 8.370 nan 0.000 0.459 369 V N 2.200 122.073 119.914 -0.067 0.000 2.384 369 V HA 0.295 4.414 4.120 -0.001 0.000 0.287 369 V C -0.427 175.665 176.094 -0.003 0.000 1.020 369 V CA -0.646 61.623 62.300 -0.052 0.000 0.850 369 V CB 1.310 33.128 31.823 -0.009 0.000 0.987 369 V HN 0.285 nan 8.190 nan 0.000 0.436 370 L N 5.409 126.620 121.223 -0.020 0.000 2.346 370 L HA 0.555 4.895 4.340 -0.001 0.000 0.276 370 L C -0.896 176.083 176.870 0.182 0.000 1.006 370 L CA -0.419 54.480 54.840 0.098 0.000 0.817 370 L CB 1.558 43.686 42.059 0.115 0.000 1.272 370 L HN 0.667 nan 8.230 nan 0.000 0.421 371 Y N 1.556 121.892 120.300 0.060 0.000 2.333 371 Y HA 0.527 5.077 4.550 -0.001 0.000 0.324 371 Y C 0.845 176.766 175.900 0.035 0.000 1.033 371 Y CA -0.638 57.472 58.100 0.017 0.000 1.224 371 Y CB 1.853 40.345 38.460 0.053 0.000 1.120 371 Y HN 0.643 nan 8.280 nan 0.000 0.457 372 G N 3.045 111.628 108.800 -0.362 0.000 2.464 372 G HA2 0.309 4.269 3.960 -0.001 0.000 0.217 372 G HA3 0.309 4.269 3.960 -0.001 0.000 0.217 372 G C 0.862 175.540 174.900 -0.369 0.000 1.138 372 G CA 0.582 45.540 45.100 -0.236 0.000 0.793 372 G HN 1.445 nan 8.290 nan 0.000 0.539 373 G N -0.277 108.002 108.800 -0.869 0.000 2.598 373 G HA2 0.233 4.193 3.960 -0.001 0.000 0.244 373 G HA3 0.233 4.193 3.960 -0.001 0.000 0.244 373 G C 0.532 175.334 174.900 -0.163 0.000 1.302 373 G CA 0.162 44.942 45.100 -0.534 0.000 0.903 373 G HN 1.424 nan 8.290 nan 0.000 0.575 374 A N -0.568 122.235 122.820 -0.028 0.000 2.366 374 A HA 0.846 5.165 4.320 -0.001 0.000 0.250 374 A C 1.762 179.342 177.584 -0.006 0.000 1.099 374 A CA 2.003 54.049 52.037 0.015 0.000 0.794 374 A CB -0.140 18.886 19.000 0.043 0.000 1.056 374 A HN 3.023 nan 8.150 nan 0.000 0.499 375 G N -1.950 106.849 108.800 -0.003 0.000 2.746 375 G HA2 0.438 4.398 3.960 -0.001 0.000 0.685 375 G HA3 0.438 4.398 3.960 -0.001 0.000 0.685 375 G C -0.058 174.820 174.900 -0.037 0.000 1.350 375 G CA -0.171 44.917 45.100 -0.021 0.000 0.837 375 G HN 2.273 nan 8.290 nan 0.000 0.564 376 A N 1.170 123.955 122.820 -0.059 0.000 2.366 376 A HA 0.626 4.946 4.320 -0.001 0.000 0.322 376 A C 0.122 177.689 177.584 -0.028 0.000 1.397 376 A CA -0.183 51.800 52.037 -0.090 0.000 0.984 376 A CB 0.197 19.094 19.000 -0.171 0.000 1.149 376 A HN 0.596 nan 8.150 nan 0.000 0.540 377 D N 1.257 121.663 120.400 0.010 0.000 2.268 377 D HA 0.526 5.166 4.640 -0.001 0.000 0.249 377 D C -0.445 175.917 176.300 0.104 0.000 1.008 377 D CA 0.152 54.184 54.000 0.053 0.000 0.939 377 D CB 1.784 42.612 40.800 0.046 0.000 1.170 377 D HN 0.350 nan 8.370 nan 0.000 0.468 378 T N 1.137 115.765 114.554 0.123 0.000 2.809 378 T HA 0.491 4.841 4.350 -0.001 0.000 0.284 378 T C -0.126 174.636 174.700 0.103 0.000 0.992 378 T CA -0.576 61.599 62.100 0.125 0.000 0.957 378 T CB 0.738 69.689 68.868 0.139 0.000 0.942 378 T HN 0.089 nan 8.240 nan 0.000 0.439 379 L N 3.522 124.742 121.223 -0.006 0.000 2.362 379 L HA 0.575 4.915 4.340 -0.001 0.000 0.275 379 L C -1.309 175.532 176.870 -0.050 0.000 0.998 379 L CA -1.079 53.834 54.840 0.122 0.000 0.820 379 L CB 1.480 43.700 42.059 0.267 0.000 1.270 379 L HN 0.648 nan 8.230 nan 0.000 0.415 380 Y N 0.874 121.353 120.300 0.298 0.000 2.376 380 Y HA 0.312 4.862 4.550 -0.001 0.000 0.326 380 Y C 1.129 177.231 175.900 0.337 0.000 0.970 380 Y CA -0.584 57.680 58.100 0.273 0.000 1.248 380 Y CB 2.008 40.561 38.460 0.154 0.000 1.117 380 Y HN 0.721 nan 8.280 nan 0.000 0.476 381 G N 1.863 111.011 108.800 0.579 0.000 2.422 381 G HA2 0.282 4.241 3.960 -0.001 0.000 0.218 381 G HA3 0.282 4.241 3.960 -0.001 0.000 0.218 381 G C 0.869 175.886 174.900 0.194 0.000 1.140 381 G CA 0.604 45.894 45.100 0.318 0.000 0.775 381 G HN 1.141 nan 8.290 nan 0.000 0.545 382 G N -0.876 108.060 108.800 0.226 0.000 2.725 382 G HA2 0.324 4.284 3.960 -0.001 0.000 0.220 382 G HA3 0.324 4.284 3.960 -0.001 0.000 0.220 382 G C 0.316 175.270 174.900 0.090 0.000 1.357 382 G CA -0.152 45.032 45.100 0.139 0.000 0.866 382 G HN 1.433 nan 8.290 nan 0.000 0.548 383 A N -0.474 122.379 122.820 0.055 0.000 2.507 383 A HA 0.815 5.134 4.320 -0.001 0.000 0.235 383 A C 1.761 179.355 177.584 0.017 0.000 1.070 383 A CA 2.257 54.312 52.037 0.030 0.000 0.768 383 A CB -0.202 18.808 19.000 0.018 0.000 1.011 383 A HN 3.021 nan 8.150 nan 0.000 0.502 384 G N 0.373 109.174 108.800 0.002 0.000 2.603 384 G HA2 0.007 3.967 3.960 -0.001 0.000 0.686 384 G HA3 0.007 3.967 3.960 -0.001 0.000 0.686 384 G C -0.596 174.289 174.900 -0.025 0.000 1.286 384 G CA -0.505 44.588 45.100 -0.011 0.000 0.871 384 G HN 0.991 nan 8.290 nan 0.000 0.568 385 R N 1.264 121.744 120.500 -0.033 0.000 2.296 385 R HA 0.353 4.693 4.340 -0.001 0.000 0.327 385 R C -0.694 175.568 176.300 -0.064 0.000 1.137 385 R CA -0.568 55.505 56.100 -0.044 0.000 1.020 385 R CB 0.546 30.828 30.300 -0.030 0.000 1.110 385 R HN 0.473 nan 8.270 nan 0.000 0.499 386 D N 1.471 121.812 120.400 -0.100 0.000 2.268 386 D HA 0.300 4.940 4.640 -0.001 0.000 0.249 386 D C -0.198 175.945 176.300 -0.261 0.000 1.008 386 D CA -0.214 53.657 54.000 -0.216 0.000 0.939 386 D CB 2.296 42.911 40.800 -0.308 0.000 1.170 386 D HN 0.229 nan 8.370 nan 0.000 0.468 387 T N 1.056 115.402 114.554 -0.345 0.000 2.841 387 T HA 0.401 4.750 4.350 -0.001 0.000 0.285 387 T C -0.606 173.933 174.700 -0.269 0.000 0.991 387 T CA -0.535 61.470 62.100 -0.158 0.000 0.966 387 T CB 0.425 69.296 68.868 0.004 0.000 0.962 387 T HN 0.087 nan 8.240 nan 0.000 0.438 388 F N 2.244 122.347 119.950 0.255 0.000 2.388 388 F HA 0.536 5.063 4.527 -0.001 0.000 0.358 388 F C 0.181 176.099 175.800 0.196 0.000 1.122 388 F CA -0.996 57.138 58.000 0.222 0.000 1.056 388 F CB 1.034 40.231 39.000 0.328 0.000 1.155 388 F HN 0.176 nan 8.300 nan 0.000 0.461 389 V N 4.171 124.186 119.914 0.168 0.000 2.427 389 V HA 0.326 4.445 4.120 -0.001 0.000 0.286 389 V C -0.858 175.188 176.094 -0.079 0.000 1.034 389 V CA -1.008 61.425 62.300 0.222 0.000 0.893 389 V CB 1.199 33.234 31.823 0.352 0.000 0.982 389 V HN 0.497 nan 8.190 nan 0.000 0.452 390 Y N 2.051 122.634 120.300 0.472 0.000 2.326 390 Y HA 0.571 5.121 4.550 -0.001 0.000 0.331 390 Y C 1.054 177.193 175.900 0.398 0.000 0.962 390 Y CA -0.542 57.839 58.100 0.469 0.000 1.167 390 Y CB 2.109 40.910 38.460 0.569 0.000 1.148 390 Y HN 0.678 nan 8.280 nan 0.000 0.463 391 G N 0.758 109.863 108.800 0.508 0.000 3.126 391 G HA2 0.251 4.210 3.960 -0.001 0.000 0.224 391 G HA3 0.251 4.210 3.960 -0.001 0.000 0.224 391 G C 0.011 174.891 174.900 -0.033 0.000 1.142 391 G CA 0.354 45.652 45.100 0.329 0.000 0.759 391 G HN 0.484 nan 8.290 nan 0.000 0.550 392 S N -2.332 113.351 115.700 -0.028 0.000 2.565 392 S HA 0.465 4.935 4.470 -0.001 0.000 0.274 392 S C 1.144 175.875 174.600 0.218 0.000 1.144 392 S CA 0.499 58.636 58.200 -0.105 0.000 0.849 392 S CB 0.821 64.077 63.200 0.094 0.000 1.103 392 S HN 0.350 nan 8.310 nan 0.000 0.455 393 G N 1.522 110.476 108.800 0.257 0.000 2.462 393 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.220 393 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.220 393 G C 0.909 176.095 174.900 0.476 0.000 1.121 393 G CA 0.643 46.057 45.100 0.523 0.000 0.758 393 G HN 0.654 nan 8.290 nan 0.000 0.559 394 Q N 0.588 120.572 119.800 0.308 0.000 2.472 394 Q HA -0.004 4.336 4.340 -0.001 0.000 0.208 394 Q C 1.474 177.599 176.000 0.209 0.000 0.958 394 Q CA 0.579 56.518 55.803 0.228 0.000 0.932 394 Q CB 0.011 28.849 28.738 0.167 0.000 1.007 394 Q HN 0.402 nan 8.270 nan 0.000 0.508 395 D N -0.256 120.328 120.400 0.306 0.000 2.224 395 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 395 D C 0.254 176.645 176.300 0.151 0.000 0.965 395 D CA 0.718 54.868 54.000 0.249 0.000 0.852 395 D CB 0.291 41.343 40.800 0.419 0.000 0.947 395 D HN -0.058 nan 8.370 nan 0.000 0.494 396 S N 0.129 115.841 115.700 0.021 0.000 2.605 396 S HA 0.144 4.613 4.470 -0.001 0.000 0.142 396 S C -0.340 174.012 174.600 -0.413 0.000 1.452 396 S CA -0.616 57.385 58.200 -0.332 0.000 1.240 396 S CB -0.305 62.462 63.200 -0.721 0.000 1.538 396 S HN 0.181 nan 8.310 nan 0.000 0.394 397 T N -0.198 114.288 114.554 -0.114 0.000 2.860 397 T HA 0.321 4.671 4.350 -0.001 0.000 0.299 397 T C 1.705 176.384 174.700 -0.034 0.000 1.045 397 T CA -0.492 61.592 62.100 -0.025 0.000 1.071 397 T CB 0.915 69.814 68.868 0.052 0.000 0.985 397 T HN 0.140 nan 8.240 nan 0.000 0.537 398 V N 2.065 121.999 119.914 0.033 0.000 2.392 398 V HA -0.134 3.986 4.120 -0.001 0.000 0.249 398 V C 3.000 179.177 176.094 0.139 0.000 1.059 398 V CA 2.224 64.575 62.300 0.086 0.000 1.051 398 V CB -1.555 30.360 31.823 0.152 0.000 0.658 398 V HN 1.093 nan 8.190 nan 0.000 0.455 399 A N -0.817 122.049 122.820 0.077 0.000 2.168 399 A HA 0.407 4.727 4.320 -0.001 0.000 0.215 399 A C 1.425 178.992 177.584 -0.029 0.000 1.152 399 A CA 1.257 53.320 52.037 0.043 0.000 0.716 399 A CB -0.219 18.802 19.000 0.035 0.000 0.794 399 A HN 0.839 nan 8.150 nan 0.000 0.465 400 A N -0.387 122.395 122.820 -0.065 0.000 3.464 400 A HA 0.503 4.823 4.320 -0.001 0.000 0.243 400 A C -0.276 177.176 177.584 -0.220 0.000 1.100 400 A CA -0.718 51.214 52.037 -0.174 0.000 0.957 400 A CB -0.627 18.316 19.000 -0.095 0.000 1.340 400 A HN 0.605 nan 8.150 nan 0.000 0.645 401 Y N -1.013 119.159 120.300 -0.214 0.000 2.326 401 Y HA 0.650 5.200 4.550 -0.001 0.000 0.333 401 Y C -0.121 175.594 175.900 -0.308 0.000 1.240 401 Y CA -1.274 56.621 58.100 -0.342 0.000 1.365 401 Y CB 0.161 38.327 38.460 -0.490 0.000 1.289 401 Y HN 0.296 nan 8.280 nan 0.000 0.548 402 D N 1.608 121.942 120.400 -0.110 0.000 2.362 402 D HA 0.114 4.754 4.640 -0.001 0.000 0.242 402 D C -1.336 174.918 176.300 -0.077 0.000 1.132 402 D CA 0.219 54.194 54.000 -0.042 0.000 0.907 402 D CB 0.362 41.193 40.800 0.052 0.000 1.195 402 D HN 0.669 nan 8.370 nan 0.000 0.429 403 W N 0.897 122.193 121.300 -0.006 0.000 2.573 403 W HA 0.514 5.174 4.660 -0.001 0.000 0.326 403 W C -0.288 176.136 176.519 -0.159 0.000 1.049 403 W CA -0.674 56.634 57.345 -0.062 0.000 1.220 403 W CB 0.988 30.413 29.460 -0.058 0.000 1.373 403 W HN 0.069 nan 8.180 nan 0.000 0.507 404 I N 3.899 124.506 120.570 0.063 0.000 2.354 404 I HA 0.243 4.413 4.170 -0.001 0.000 0.286 404 I C 0.768 176.812 176.117 -0.121 0.000 1.007 404 I CA -0.272 60.911 61.300 -0.194 0.000 1.167 404 I CB 1.490 39.209 38.000 -0.468 0.000 1.320 404 I HN 0.714 nan 8.210 nan 0.000 0.458 405 A N 4.265 126.903 122.820 -0.304 0.000 2.195 405 A HA 0.025 4.344 4.320 -0.001 0.000 0.210 405 A C 0.935 178.456 177.584 -0.106 0.000 1.165 405 A CA 0.578 52.435 52.037 -0.301 0.000 0.806 405 A CB -0.137 18.439 19.000 -0.707 0.000 0.847 405 A HN 0.781 nan 8.150 nan 0.000 0.482 406 D N -2.091 118.294 120.400 -0.024 0.000 2.760 406 D HA 0.120 4.759 4.640 -0.001 0.000 0.314 406 D C -0.244 176.165 176.300 0.182 0.000 1.464 406 D CA -0.667 53.414 54.000 0.135 0.000 0.797 406 D CB -1.183 39.762 40.800 0.242 0.000 1.149 406 D HN 0.074 nan 8.370 nan 0.000 0.455 407 F N 2.147 122.108 119.950 0.018 0.000 2.607 407 F HA 0.164 4.691 4.527 -0.001 0.000 0.374 407 F C 0.431 176.292 175.800 0.101 0.000 1.104 407 F CA 0.589 58.625 58.000 0.060 0.000 1.296 407 F CB 0.702 39.688 39.000 -0.023 0.000 1.085 407 F HN -0.064 nan 8.300 nan 0.000 0.584 408 Q N 6.299 125.790 119.800 -0.514 0.000 2.394 408 Q HA 0.162 4.502 4.340 -0.001 0.000 0.259 408 Q C -0.480 175.269 176.000 -0.418 0.000 1.021 408 Q CA -0.843 54.777 55.803 -0.305 0.000 0.805 408 Q CB 1.436 30.060 28.738 -0.190 0.000 1.226 408 Q HN 0.535 nan 8.270 nan 0.000 0.476 409 K N 0.890 121.234 120.400 -0.093 0.000 2.484 409 K HA 0.065 4.385 4.320 -0.001 0.000 0.280 409 K C 0.842 177.422 176.600 -0.033 0.000 1.013 409 K CA 1.336 57.646 56.287 0.038 0.000 1.029 409 K CB 0.069 32.624 32.500 0.091 0.000 0.902 409 K HN 0.842 nan 8.250 nan 0.000 0.481 410 G N 3.484 112.280 108.800 -0.007 0.000 2.179 410 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 410 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 410 G C 0.595 175.470 174.900 -0.041 0.000 0.977 410 G CA 0.489 45.580 45.100 -0.015 0.000 0.641 410 G HN 0.652 nan 8.290 nan 0.000 0.533 411 I N -0.614 119.898 120.570 -0.097 0.000 3.878 411 I HA 0.227 4.397 4.170 -0.001 0.000 0.273 411 I C 0.625 176.673 176.117 -0.114 0.000 1.165 411 I CA -0.183 61.060 61.300 -0.095 0.000 1.360 411 I CB 0.101 38.040 38.000 -0.102 0.000 1.539 411 I HN -0.063 nan 8.210 nan 0.000 0.447 412 D N 2.328 122.573 120.400 -0.258 0.000 2.383 412 D HA 0.351 4.990 4.640 -0.001 0.000 0.248 412 D C -0.373 175.949 176.300 0.036 0.000 1.170 412 D CA 0.217 54.097 54.000 -0.201 0.000 0.977 412 D CB 0.988 41.516 40.800 -0.455 0.000 1.120 412 D HN 0.018 nan 8.370 nan 0.000 0.481 413 K N 0.131 120.710 120.400 0.297 0.000 2.469 413 K HA 0.555 4.875 4.320 -0.001 0.000 0.254 413 K C -0.768 176.206 176.600 0.623 0.000 0.939 413 K CA -0.637 55.902 56.287 0.421 0.000 0.812 413 K CB 2.223 34.862 32.500 0.232 0.000 1.301 413 K HN 0.239 nan 8.250 nan 0.000 0.433 414 I N 1.632 122.519 120.570 0.529 0.000 2.362 414 I HA 0.139 4.309 4.170 -0.001 0.000 0.289 414 I C -0.613 175.732 176.117 0.380 0.000 0.994 414 I CA -0.558 61.035 61.300 0.489 0.000 1.158 414 I CB 1.348 39.532 38.000 0.307 0.000 1.315 414 I HN 0.487 nan 8.210 nan 0.000 0.451 415 D N 7.864 128.515 120.400 0.417 0.000 2.359 415 D HA 0.290 4.929 4.640 -0.001 0.000 0.230 415 D C 0.060 176.587 176.300 0.379 0.000 1.118 415 D CA -0.141 54.060 54.000 0.335 0.000 0.844 415 D CB 1.312 42.292 40.800 0.300 0.000 1.059 415 D HN 0.474 nan 8.370 nan 0.000 0.493 416 L N 3.131 124.525 121.223 0.286 0.000 3.066 416 L HA 0.055 4.394 4.340 -0.001 0.000 0.265 416 L C 2.055 179.094 176.870 0.281 0.000 1.232 416 L CA -0.179 54.855 54.840 0.322 0.000 1.031 416 L CB 0.249 42.362 42.059 0.090 0.000 1.379 416 L HN 0.285 nan 8.230 nan 0.000 0.563 417 S N 0.175 115.967 115.700 0.154 0.000 2.423 417 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 417 S C 2.110 176.664 174.600 -0.075 0.000 1.014 417 S CA 0.845 59.078 58.200 0.054 0.000 0.965 417 S CB -0.046 63.182 63.200 0.046 0.000 0.785 417 S HN 0.392 nan 8.310 nan 0.000 0.495 418 A N 0.860 123.526 122.820 -0.257 0.000 2.076 418 A HA 0.118 4.437 4.320 -0.001 0.000 0.220 418 A C 1.662 179.036 177.584 -0.349 0.000 1.160 418 A CA 1.048 52.754 52.037 -0.551 0.000 0.653 418 A CB -1.045 17.433 19.000 -0.870 0.000 0.801 418 A HN 0.585 nan 8.150 nan 0.000 0.455 419 F N -0.215 119.646 119.950 -0.150 0.000 2.604 419 F HA 0.011 4.537 4.527 -0.001 0.000 0.298 419 F C 2.249 177.997 175.800 -0.087 0.000 1.131 419 F CA 0.731 58.662 58.000 -0.116 0.000 1.457 419 F CB -0.205 38.711 39.000 -0.140 0.000 1.095 419 F HN 0.136 nan 8.300 nan 0.000 0.574 420 R N 0.820 121.351 120.500 0.052 0.000 2.127 420 R HA -0.200 4.140 4.340 -0.001 0.000 0.238 420 R C 2.039 178.338 176.300 -0.002 0.000 1.134 420 R CA 1.421 57.534 56.100 0.022 0.000 0.975 420 R CB -0.705 29.596 30.300 0.002 0.000 0.865 420 R HN 0.390 nan 8.270 nan 0.000 0.447 421 N N 1.589 120.267 118.700 -0.037 0.000 2.334 421 N HA -0.236 4.503 4.740 -0.001 0.000 0.187 421 N C 1.003 176.507 175.510 -0.010 0.000 1.016 421 N CA 1.838 54.867 53.050 -0.034 0.000 0.879 421 N CB -0.209 38.242 38.487 -0.059 0.000 0.965 421 N HN 0.567 nan 8.380 nan 0.000 0.438 422 E N -1.707 118.496 120.200 0.005 0.000 2.660 422 E HA 0.306 4.656 4.350 -0.001 0.000 0.216 422 E C -0.171 176.441 176.600 0.020 0.000 0.986 422 E CA -0.226 56.184 56.400 0.017 0.000 1.037 422 E CB 0.059 29.777 29.700 0.031 0.000 1.041 422 E HN 0.249 nan 8.360 nan 0.000 0.480 423 G N 2.136 110.949 108.800 0.022 0.000 3.400 423 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.679 423 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.679 423 G C -0.866 174.052 174.900 0.029 0.000 1.239 423 G CA -0.533 44.579 45.100 0.019 0.000 1.049 423 G HN 0.225 nan 8.290 nan 0.000 0.539 424 Q N 1.358 121.176 119.800 0.029 0.000 2.269 424 Q HA 0.216 4.555 4.340 -0.001 0.000 0.300 424 Q C 0.936 176.954 176.000 0.031 0.000 1.070 424 Q CA 0.015 55.840 55.803 0.037 0.000 0.957 424 Q CB 0.272 29.030 28.738 0.034 0.000 1.131 424 Q HN 0.586 nan 8.270 nan 0.000 0.377 425 L N 3.131 124.370 121.223 0.027 0.000 2.485 425 L HA 0.037 4.377 4.340 -0.001 0.000 0.275 425 L C 0.214 177.111 176.870 0.045 0.000 1.207 425 L CA 0.076 54.917 54.840 0.002 0.000 0.855 425 L CB 0.678 42.705 42.059 -0.053 0.000 1.114 425 L HN 0.603 nan 8.230 nan 0.000 0.485 426 S N 2.457 118.187 115.700 0.050 0.000 2.462 426 S HA 0.388 4.857 4.470 -0.001 0.000 0.294 426 S C -0.499 174.175 174.600 0.124 0.000 1.144 426 S CA -0.506 57.749 58.200 0.091 0.000 1.088 426 S CB 0.936 64.178 63.200 0.071 0.000 1.009 426 S HN 0.321 nan 8.310 nan 0.000 0.484 427 F N 4.686 124.646 119.950 0.017 0.000 2.427 427 F HA 0.476 5.003 4.527 -0.001 0.000 0.352 427 F C 0.153 175.957 175.800 0.007 0.000 1.100 427 F CA -0.337 57.670 58.000 0.013 0.000 1.191 427 F CB 0.555 39.558 39.000 0.005 0.000 1.128 427 F HN 0.361 nan 8.300 nan 0.000 0.533 428 V N 4.391 124.085 119.914 -0.368 0.000 2.815 428 V HA 0.434 4.553 4.120 -0.001 0.000 0.314 428 V C 0.304 176.197 176.094 -0.336 0.000 1.064 428 V CA -0.732 61.433 62.300 -0.224 0.000 0.952 428 V CB 1.892 33.594 31.823 -0.203 0.000 1.020 428 V HN 0.778 nan 8.190 nan 0.000 0.439 429 Q N 2.318 122.046 119.800 -0.120 0.000 2.089 429 Q HA 0.044 4.384 4.340 -0.001 0.000 0.195 429 Q C 0.763 176.686 176.000 -0.127 0.000 0.963 429 Q CA 2.172 57.948 55.803 -0.045 0.000 0.834 429 Q CB 0.036 28.792 28.738 0.031 0.000 0.906 429 Q HN 1.173 nan 8.270 nan 0.000 0.452 430 D N -2.031 118.267 120.400 -0.171 0.000 2.530 430 D HA 0.025 4.664 4.640 -0.001 0.000 0.290 430 D C -0.144 176.006 176.300 -0.250 0.000 1.398 430 D CA -0.162 53.726 54.000 -0.185 0.000 0.848 430 D CB -0.067 40.678 40.800 -0.093 0.000 1.279 430 D HN 0.144 nan 8.370 nan 0.000 0.483 431 Q N -0.209 119.416 119.800 -0.292 0.000 2.391 431 Q HA 0.438 4.777 4.340 -0.001 0.000 0.279 431 Q C -1.438 174.381 176.000 -0.301 0.000 1.028 431 Q CA -0.946 54.685 55.803 -0.287 0.000 0.836 431 Q CB 1.312 29.969 28.738 -0.136 0.000 1.414 431 Q HN -0.023 nan 8.270 nan 0.000 0.397 432 F N 1.141 121.029 119.950 -0.104 0.000 2.382 432 F HA 0.216 4.743 4.527 -0.001 0.000 0.331 432 F C 1.788 177.562 175.800 -0.044 0.000 1.121 432 F CA 0.204 58.160 58.000 -0.072 0.000 1.183 432 F CB 1.756 40.695 39.000 -0.103 0.000 1.207 432 F HN 0.838 nan 8.300 nan 0.000 0.555 433 T N -1.966 112.719 114.554 0.218 0.000 3.057 433 T HA 0.270 4.619 4.350 -0.001 0.000 0.254 433 T C 1.514 176.279 174.700 0.108 0.000 1.094 433 T CA 0.490 62.659 62.100 0.116 0.000 1.088 433 T CB 0.182 69.104 68.868 0.088 0.000 0.934 433 T HN 1.074 nan 8.240 nan 0.000 0.497 434 G N 1.513 110.407 108.800 0.155 0.000 2.194 434 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.236 434 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.236 434 G C 0.868 175.856 174.900 0.146 0.000 0.987 434 G CA 0.358 45.544 45.100 0.143 0.000 0.635 434 G HN 0.542 nan 8.290 nan 0.000 0.520 435 K N 0.595 121.054 120.400 0.098 0.000 2.288 435 K HA 0.395 4.715 4.320 -0.001 0.000 0.201 435 K C 1.562 178.132 176.600 -0.050 0.000 1.048 435 K CA 0.767 57.073 56.287 0.032 0.000 0.956 435 K CB -0.042 32.476 32.500 0.030 0.000 0.746 435 K HN 1.572 nan 8.250 nan 0.000 0.461 436 G N 0.914 109.641 108.800 -0.121 0.000 2.756 436 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.678 436 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.678 436 G C -0.933 173.837 174.900 -0.216 0.000 1.349 436 G CA -0.596 44.247 45.100 -0.427 0.000 0.847 436 G HN 0.142 nan 8.290 nan 0.000 0.548 437 Q N -0.850 118.800 119.800 -0.251 0.000 2.439 437 Q HA -0.166 4.173 4.340 -0.001 0.000 0.325 437 Q C 0.280 176.236 176.000 -0.073 0.000 1.372 437 Q CA 2.344 58.064 55.803 -0.139 0.000 0.909 437 Q CB -1.505 27.193 28.738 -0.068 0.000 1.167 437 Q HN 0.885 nan 8.270 nan 0.000 0.418 438 E N -0.850 119.318 120.200 -0.053 0.000 2.288 438 E HA 0.741 5.090 4.350 -0.001 0.000 0.268 438 E C -0.917 175.773 176.600 0.150 0.000 0.885 438 E CA -0.831 55.629 56.400 0.100 0.000 0.767 438 E CB 2.905 32.787 29.700 0.303 0.000 1.220 438 E HN 0.047 nan 8.360 nan 0.000 0.427 439 V N 3.230 123.188 119.914 0.072 0.000 2.789 439 V HA 0.667 4.786 4.120 -0.001 0.000 0.311 439 V C -1.282 174.613 176.094 -0.331 0.000 1.073 439 V CA -0.538 61.758 62.300 -0.007 0.000 0.921 439 V CB 1.836 33.612 31.823 -0.078 0.000 1.009 439 V HN 0.749 nan 8.190 nan 0.000 0.426 440 M N 6.482 125.917 119.600 -0.274 0.000 2.501 440 M HA 0.620 5.100 4.480 -0.001 0.000 0.293 440 M C -2.394 173.760 176.300 -0.243 0.000 1.192 440 M CA -0.707 54.273 55.300 -0.533 0.000 0.886 440 M CB 2.273 34.523 32.600 -0.583 0.000 1.710 440 M HN 0.623 nan 8.290 nan 0.000 0.457 441 L N 3.807 124.907 121.223 -0.204 0.000 2.287 441 L HA 0.500 4.840 4.340 -0.001 0.000 0.287 441 L C -0.498 176.413 176.870 0.069 0.000 1.022 441 L CA -0.473 54.381 54.840 0.023 0.000 0.814 441 L CB 1.641 43.799 42.059 0.165 0.000 1.217 441 L HN 0.654 nan 8.230 nan 0.000 0.420 442 Q N 4.653 124.527 119.800 0.123 0.000 2.333 442 Q HA 0.168 4.507 4.340 -0.001 0.000 0.268 442 Q C -1.653 174.480 176.000 0.221 0.000 1.007 442 Q CA -0.516 55.388 55.803 0.167 0.000 0.810 442 Q CB 2.087 30.965 28.738 0.233 0.000 1.264 442 Q HN 0.745 nan 8.270 nan 0.000 0.452 443 W N 5.883 127.192 121.300 0.016 0.000 2.331 443 W HA 0.224 4.884 4.660 -0.001 0.000 0.306 443 W C -0.910 175.620 176.519 0.017 0.000 1.162 443 W CA -0.499 56.854 57.345 0.014 0.000 1.232 443 W CB 1.175 30.647 29.460 0.019 0.000 1.235 443 W HN 0.645 nan 8.180 nan 0.000 0.479 444 D N 5.109 125.205 120.400 -0.505 0.000 2.479 444 D HA 0.289 4.928 4.640 -0.001 0.000 0.218 444 D C 1.025 176.729 176.300 -0.993 0.000 1.131 444 D CA 0.067 53.745 54.000 -0.537 0.000 0.916 444 D CB 1.267 41.877 40.800 -0.316 0.000 1.022 444 D HN 0.419 nan 8.370 nan 0.000 0.515 445 A N 3.739 126.047 122.820 -0.852 0.000 1.972 445 A HA -0.026 4.293 4.320 -0.001 0.000 0.219 445 A C 2.136 179.506 177.584 -0.358 0.000 1.169 445 A CA 1.619 53.254 52.037 -0.671 0.000 0.635 445 A CB -0.473 18.455 19.000 -0.120 0.000 0.810 445 A HN 0.610 nan 8.150 nan 0.000 0.446 446 A N -0.027 122.637 122.820 -0.260 0.000 1.933 446 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 446 A C 1.769 179.261 177.584 -0.154 0.000 1.175 446 A CA 1.704 53.651 52.037 -0.150 0.000 0.628 446 A CB -0.357 18.579 19.000 -0.107 0.000 0.814 446 A HN 0.555 nan 8.150 nan 0.000 0.444 447 N N -1.032 117.532 118.700 -0.227 0.000 2.205 447 N HA 0.076 4.816 4.740 -0.001 0.000 0.201 447 N C -0.192 175.196 175.510 -0.204 0.000 1.128 447 N CA 0.766 53.717 53.050 -0.165 0.000 0.867 447 N CB 0.585 39.005 38.487 -0.112 0.000 0.996 447 N HN 0.220 nan 8.380 nan 0.000 0.503 448 S N 0.784 116.226 115.700 -0.430 0.000 3.682 448 S HA -0.136 4.333 4.470 -0.001 0.000 0.354 448 S C -0.245 174.201 174.600 -0.258 0.000 1.034 448 S CA 0.415 58.337 58.200 -0.464 0.000 1.084 448 S CB -1.135 62.100 63.200 0.058 0.000 0.903 448 S HN 0.265 nan 8.310 nan 0.000 0.470 449 I N 1.397 121.726 120.570 -0.403 0.000 2.474 449 I HA 0.391 4.560 4.170 -0.001 0.000 0.294 449 I C 0.715 176.821 176.117 -0.018 0.000 1.005 449 I CA -0.258 61.006 61.300 -0.060 0.000 1.113 449 I CB 1.724 39.721 38.000 -0.006 0.000 1.289 449 I HN 0.034 nan 8.210 nan 0.000 0.436 450 T N 5.552 120.208 114.554 0.170 0.000 2.749 450 T HA 0.350 4.699 4.350 -0.001 0.000 0.287 450 T C 0.158 174.804 174.700 -0.090 0.000 0.970 450 T CA -0.633 61.570 62.100 0.172 0.000 0.980 450 T CB 0.407 69.395 68.868 0.200 0.000 0.924 450 T HN 0.316 nan 8.240 nan 0.000 0.456 451 N N 3.321 121.927 118.700 -0.156 0.000 2.426 451 N HA 0.255 4.994 4.740 -0.001 0.000 0.257 451 N C -0.710 174.525 175.510 -0.459 0.000 1.002 451 N CA -0.425 52.348 53.050 -0.461 0.000 0.942 451 N CB 1.578 39.749 38.487 -0.526 0.000 1.112 451 N HN 0.573 nan 8.380 nan 0.000 0.499 452 L N 3.332 124.242 121.223 -0.522 0.000 2.261 452 L HA 0.414 4.753 4.340 -0.001 0.000 0.289 452 L C -1.068 175.582 176.870 -0.367 0.000 1.059 452 L CA -0.706 53.940 54.840 -0.324 0.000 0.816 452 L CB 0.333 42.245 42.059 -0.246 0.000 1.191 452 L HN 0.445 nan 8.230 nan 0.000 0.431 453 W N 6.151 127.441 121.300 -0.016 0.000 2.520 453 W HA 0.576 5.236 4.660 -0.001 0.000 0.323 453 W C -0.673 175.946 176.519 0.168 0.000 1.062 453 W CA -0.494 56.912 57.345 0.101 0.000 1.215 453 W CB 1.577 31.154 29.460 0.196 0.000 1.340 453 W HN 0.298 nan 8.180 nan 0.000 0.516 454 L N 4.143 125.582 121.223 0.361 0.000 2.372 454 L HA 0.396 4.736 4.340 -0.001 0.000 0.274 454 L C -0.684 176.152 176.870 -0.057 0.000 0.988 454 L CA -0.743 54.108 54.840 0.018 0.000 0.833 454 L CB 1.091 42.869 42.059 -0.469 0.000 1.236 454 L HN 0.528 nan 8.230 nan 0.000 0.410 455 H N 5.340 124.182 119.070 -0.380 0.000 2.597 455 H HA 0.294 4.849 4.556 -0.001 0.000 0.303 455 H C -0.848 174.276 175.328 -0.340 0.000 1.057 455 H CA -0.646 55.090 56.048 -0.520 0.000 1.261 455 H CB 0.991 30.133 29.762 -1.034 0.000 1.397 455 H HN 0.659 nan 8.280 nan 0.000 0.461 456 E N 2.893 122.847 120.200 -0.410 0.000 2.301 456 E HA 0.291 4.640 4.350 -0.001 0.000 0.275 456 E C -0.384 176.018 176.600 -0.330 0.000 1.030 456 E CA -0.807 55.372 56.400 -0.367 0.000 0.852 456 E CB 1.254 30.704 29.700 -0.416 0.000 1.060 456 E HN 0.688 nan 8.360 nan 0.000 0.401 457 A N 1.847 124.547 122.820 -0.200 0.000 2.546 457 A HA 0.357 4.676 4.320 -0.001 0.000 0.243 457 A C 1.159 178.760 177.584 0.027 0.000 1.063 457 A CA 0.855 52.814 52.037 -0.131 0.000 0.757 457 A CB -0.369 18.590 19.000 -0.069 0.000 0.991 457 A HN 0.849 nan 8.150 nan 0.000 0.503 458 G N 1.548 110.354 108.800 0.010 0.000 2.175 458 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 458 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 458 G C 0.099 175.012 174.900 0.022 0.000 0.982 458 G CA 0.391 45.510 45.100 0.030 0.000 0.641 458 G HN 1.056 nan 8.290 nan 0.000 0.527 459 H N 0.810 119.871 119.070 -0.014 0.000 2.488 459 H HA 0.398 4.954 4.556 -0.001 0.000 0.322 459 H C 1.316 176.731 175.328 0.146 0.000 1.078 459 H CA 0.173 56.258 56.048 0.061 0.000 1.260 459 H CB 1.606 31.420 29.762 0.086 0.000 1.425 459 H HN 0.273 nan 8.280 nan 0.000 0.471 460 S N 1.957 117.746 115.700 0.148 0.000 2.470 460 S HA -0.050 4.420 4.470 -0.001 0.000 0.225 460 S C 1.030 175.656 174.600 0.044 0.000 1.006 460 S CA -0.133 58.127 58.200 0.099 0.000 0.934 460 S CB 0.129 63.349 63.200 0.033 0.000 0.778 460 S HN 0.568 nan 8.310 nan 0.000 0.517 461 S N 0.595 116.332 115.700 0.061 0.000 2.648 461 S HA 0.683 5.153 4.470 -0.001 0.000 0.305 461 S C -0.515 174.070 174.600 -0.026 0.000 1.094 461 S CA -0.953 57.227 58.200 -0.033 0.000 0.983 461 S CB 1.513 64.715 63.200 0.003 0.000 1.101 461 S HN 0.018 nan 8.310 nan 0.000 0.514 462 V N 2.390 122.206 119.914 -0.163 0.000 2.405 462 V HA 0.224 4.344 4.120 -0.001 0.000 0.264 462 V C -0.176 175.977 176.094 0.098 0.000 1.048 462 V CA -0.053 62.178 62.300 -0.115 0.000 0.966 462 V CB 0.346 32.010 31.823 -0.265 0.000 1.015 462 V HN 0.920 nan 8.190 nan 0.000 0.477 463 D N 3.276 123.767 120.400 0.153 0.000 2.433 463 D HA 0.166 4.805 4.640 -0.001 0.000 0.211 463 D C -0.186 176.240 176.300 0.211 0.000 1.114 463 D CA 0.382 54.497 54.000 0.193 0.000 0.837 463 D CB 0.738 41.690 40.800 0.253 0.000 0.984 463 D HN 0.477 nan 8.370 nan 0.000 0.505 464 F N 1.648 121.625 119.950 0.046 0.000 2.518 464 F HA 0.500 5.027 4.527 -0.001 0.000 0.323 464 F C -1.564 174.188 175.800 -0.080 0.000 1.129 464 F CA -1.174 56.811 58.000 -0.026 0.000 0.920 464 F CB 1.563 40.509 39.000 -0.089 0.000 1.160 464 F HN -0.277 nan 8.300 nan 0.000 0.440 465 L N 7.211 128.067 121.223 -0.611 0.000 2.493 465 L HA 0.744 5.083 4.340 -0.001 0.000 0.265 465 L C -1.977 174.354 176.870 -0.898 0.000 0.954 465 L CA -0.588 53.790 54.840 -0.769 0.000 0.844 465 L CB 2.103 43.607 42.059 -0.926 0.000 1.302 465 L HN 0.388 nan 8.230 nan 0.000 0.405 466 V N 5.176 124.616 119.914 -0.791 0.000 2.487 466 V HA 0.613 4.732 4.120 -0.001 0.000 0.298 466 V C -0.141 175.550 176.094 -0.671 0.000 1.028 466 V CA -0.607 61.297 62.300 -0.661 0.000 0.860 466 V CB 1.804 33.290 31.823 -0.561 0.000 0.991 466 V HN 0.725 nan 8.190 nan 0.000 0.427 467 R N 4.808 124.862 120.500 -0.743 0.000 2.368 467 R HA 0.726 5.065 4.340 -0.001 0.000 0.302 467 R C -1.110 174.999 176.300 -0.318 0.000 1.002 467 R CA -0.531 55.094 56.100 -0.792 0.000 0.929 467 R CB 1.767 31.139 30.300 -1.547 0.000 1.073 467 R HN 0.576 nan 8.270 nan 0.000 0.464 468 I N 2.352 122.852 120.570 -0.117 0.000 2.418 468 I HA 0.191 4.361 4.170 -0.001 0.000 0.287 468 I C -0.234 176.003 176.117 0.199 0.000 1.008 468 I CA -1.026 60.286 61.300 0.020 0.000 1.104 468 I CB 2.332 40.241 38.000 -0.151 0.000 1.264 468 I HN 0.267 nan 8.210 nan 0.000 0.438 469 V N 6.105 126.156 119.914 0.229 0.000 2.276 469 V HA 0.689 4.808 4.120 -0.001 0.000 0.249 469 V C 0.707 176.916 176.094 0.191 0.000 1.160 469 V CA 0.103 62.511 62.300 0.180 0.000 1.042 469 V CB -0.688 31.163 31.823 0.047 0.000 1.224 469 V HN 1.067 nan 8.190 nan 0.000 0.496 470 G N 3.921 112.881 108.800 0.266 0.000 2.359 470 G HA2 0.091 4.050 3.960 -0.001 0.000 0.314 470 G HA3 0.091 4.050 3.960 -0.001 0.000 0.314 470 G C -1.261 173.854 174.900 0.359 0.000 1.364 470 G CA -0.946 44.336 45.100 0.304 0.000 0.978 470 G HN 0.380 nan 8.290 nan 0.000 0.615 471 Q N -0.691 119.234 119.800 0.209 0.000 2.312 471 Q HA 0.656 4.996 4.340 -0.001 0.000 0.236 471 Q C 0.174 176.263 176.000 0.148 0.000 0.965 471 Q CA 0.112 55.917 55.803 0.003 0.000 0.894 471 Q CB 1.716 30.308 28.738 -0.243 0.000 1.225 471 Q HN 1.292 nan 8.270 nan 0.000 0.478 472 A N 0.324 123.190 122.820 0.077 0.000 2.572 472 A HA 0.817 5.137 4.320 -0.001 0.000 0.295 472 A C -1.653 175.981 177.584 0.084 0.000 1.072 472 A CA -0.453 51.678 52.037 0.158 0.000 0.691 472 A CB 1.721 20.701 19.000 -0.034 0.000 1.291 472 A HN 0.688 nan 8.150 nan 0.000 0.404 473 A N 0.006 122.893 122.820 0.112 0.000 2.356 473 A HA 0.620 4.940 4.320 -0.001 0.000 0.323 473 A C 0.807 178.371 177.584 -0.034 0.000 1.119 473 A CA 0.024 52.075 52.037 0.024 0.000 0.790 473 A CB 1.128 20.130 19.000 0.003 0.000 1.273 473 A HN 1.078 nan 8.150 nan 0.000 0.452 474 Q N 0.958 120.633 119.800 -0.209 0.000 2.152 474 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 474 Q C 1.576 177.353 176.000 -0.373 0.000 0.985 474 Q CA 2.532 57.937 55.803 -0.663 0.000 0.863 474 Q CB -0.179 27.892 28.738 -1.112 0.000 0.904 474 Q HN 0.921 nan 8.270 nan 0.000 0.422 475 S N -0.442 115.142 115.700 -0.193 0.000 2.603 475 S HA -0.047 4.422 4.470 -0.001 0.000 0.229 475 S C 0.681 175.281 174.600 0.001 0.000 0.972 475 S CA 0.716 58.858 58.200 -0.095 0.000 0.935 475 S CB 0.160 63.321 63.200 -0.065 0.000 0.769 475 S HN 0.362 nan 8.310 nan 0.000 0.536 476 D N 1.115 121.550 120.400 0.060 0.000 2.349 476 D HA 0.186 4.826 4.640 -0.001 0.000 0.215 476 D C 0.039 176.467 176.300 0.213 0.000 1.016 476 D CA 0.234 54.354 54.000 0.200 0.000 0.870 476 D CB 0.157 41.197 40.800 0.400 0.000 0.917 476 D HN 0.380 nan 8.370 nan 0.000 0.524 477 I N 2.007 122.644 120.570 0.112 0.000 2.312 477 I HA 0.247 4.417 4.170 -0.001 0.000 0.290 477 I C 0.400 176.583 176.117 0.109 0.000 1.008 477 I CA -0.751 60.629 61.300 0.134 0.000 1.226 477 I CB 0.955 39.046 38.000 0.152 0.000 1.371 477 I HN -0.250 nan 8.210 nan 0.000 0.468 478 I N 7.362 128.019 120.570 0.144 0.000 2.301 478 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 478 I C 0.537 176.724 176.117 0.117 0.000 1.046 478 I CA -0.473 60.900 61.300 0.121 0.000 1.282 478 I CB 0.950 39.033 38.000 0.139 0.000 1.409 478 I HN 0.398 nan 8.210 nan 0.000 0.484 479 V N 0.000 119.968 119.914 0.090 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.350 62.300 0.084 0.000 1.235 479 V CB 0.000 31.872 31.823 0.082 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556