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 3hb2_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 HAIGHALGLA HPGEYNAGEG DPSYNDAVYA DATA SEQUENCE EDSYQFSIIS 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 0.000 177.571 177.584 -0.022 0.000 1.274 18 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 18 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 19 N N 1.260 119.955 118.700 -0.009 0.000 2.416 19 N HA 0.450 5.190 4.740 -0.001 0.000 0.265 19 N C 0.229 175.743 175.510 0.007 0.000 1.195 19 N CA 1.102 54.153 53.050 0.001 0.000 0.943 19 N CB 0.435 38.927 38.487 0.008 0.000 1.115 19 N HN 0.846 nan 8.380 nan 0.000 0.481 20 T N 0.207 114.775 114.554 0.023 0.000 2.948 20 T HA 0.551 4.900 4.350 -0.001 0.000 0.285 20 T C 0.404 175.162 174.700 0.096 0.000 1.019 20 T CA -0.970 61.160 62.100 0.049 0.000 1.013 20 T CB 0.672 69.588 68.868 0.081 0.000 1.117 20 T HN 0.479 nan 8.240 nan 0.000 0.533 21 S N 0.557 116.334 115.700 0.129 0.000 2.589 21 S HA 0.173 4.643 4.470 -0.001 0.000 0.265 21 S C 1.674 176.349 174.600 0.125 0.000 1.342 21 S CA -0.124 58.149 58.200 0.122 0.000 1.005 21 S CB 0.551 63.833 63.200 0.138 0.000 0.909 21 S HN 1.139 nan 8.310 nan 0.000 0.555 22 S N 1.269 117.019 115.700 0.082 0.000 2.423 22 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 22 S C 1.960 176.596 174.600 0.060 0.000 1.014 22 S CA 0.658 58.893 58.200 0.058 0.000 0.965 22 S CB -1.181 62.039 63.200 0.033 0.000 0.785 22 S HN 1.109 nan 8.310 nan 0.000 0.495 23 A N 0.923 123.795 122.820 0.086 0.000 1.877 23 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 23 A C 2.075 179.722 177.584 0.105 0.000 1.186 23 A CA 1.525 53.613 52.037 0.085 0.000 0.620 23 A CB -1.302 17.762 19.000 0.107 0.000 0.822 23 A HN 0.685 nan 8.150 nan 0.000 0.443 24 Y N 1.516 121.852 120.300 0.061 0.000 2.200 24 Y HA -0.208 4.342 4.550 -0.001 0.000 0.290 24 Y C 2.110 178.042 175.900 0.054 0.000 1.137 24 Y CA 2.038 60.175 58.100 0.061 0.000 1.163 24 Y CB -0.306 38.197 38.460 0.072 0.000 0.988 24 Y HN 0.331 nan 8.280 nan 0.000 0.518 25 N N 0.045 118.734 118.700 -0.018 0.000 2.205 25 N HA -0.192 4.547 4.740 -0.001 0.000 0.186 25 N C 2.095 177.560 175.510 -0.076 0.000 1.015 25 N CA 1.656 54.659 53.050 -0.078 0.000 0.862 25 N CB -0.745 37.744 38.487 0.003 0.000 0.986 25 N HN 0.573 nan 8.380 nan 0.000 0.429 26 S N -0.393 115.272 115.700 -0.058 0.000 2.428 26 S HA -0.002 4.468 4.470 -0.001 0.000 0.230 26 S C 2.078 176.652 174.600 -0.044 0.000 1.014 26 S CA 0.618 58.793 58.200 -0.042 0.000 0.957 26 S CB -0.493 62.681 63.200 -0.043 0.000 0.784 26 S HN 0.030 nan 8.310 nan 0.000 0.499 27 V N 0.710 120.542 119.914 -0.137 0.000 2.323 27 V HA -0.074 4.045 4.120 -0.001 0.000 0.244 27 V C 2.201 178.136 176.094 -0.265 0.000 1.041 27 V CA 1.843 64.022 62.300 -0.202 0.000 1.025 27 V CB -1.022 30.557 31.823 -0.406 0.000 0.656 27 V HN 0.610 nan 8.190 nan 0.000 0.451 28 Y N 1.506 121.480 120.300 -0.542 0.000 2.114 28 Y HA -0.303 4.247 4.550 -0.001 0.000 0.282 28 Y C 2.424 178.212 175.900 -0.186 0.000 1.165 28 Y CA 2.273 60.114 58.100 -0.433 0.000 1.148 28 Y CB -0.227 37.926 38.460 -0.511 0.000 0.972 28 Y HN 0.328 nan 8.280 nan 0.000 0.504 29 D N -0.381 120.073 120.400 0.089 0.000 2.117 29 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 29 D C 1.926 178.266 176.300 0.067 0.000 0.987 29 D CA 1.365 55.417 54.000 0.086 0.000 0.829 29 D CB -0.742 40.115 40.800 0.094 0.000 0.961 29 D HN 0.412 nan 8.370 nan 0.000 0.460 30 F N 1.304 121.189 119.950 -0.109 0.000 2.234 30 F HA 0.003 4.529 4.527 -0.001 0.000 0.299 30 F C 1.991 177.787 175.800 -0.008 0.000 1.087 30 F CA 0.598 58.540 58.000 -0.096 0.000 1.340 30 F CB -0.448 38.481 39.000 -0.119 0.000 1.031 30 F HN -0.126 nan 8.300 nan 0.000 0.500 31 L N -0.093 120.990 121.223 -0.232 0.000 2.187 31 L HA -0.169 4.170 4.340 -0.001 0.000 0.213 31 L C 1.903 178.663 176.870 -0.184 0.000 1.100 31 L CA 1.258 55.923 54.840 -0.293 0.000 0.765 31 L CB -0.374 41.511 42.059 -0.290 0.000 0.904 31 L HN 0.022 nan 8.230 nan 0.000 0.437 32 R N -1.889 118.537 120.500 -0.123 0.000 2.427 32 R HA 0.040 4.380 4.340 -0.001 0.000 0.262 32 R C -0.229 176.134 176.300 0.105 0.000 0.943 32 R CA -0.394 55.686 56.100 -0.033 0.000 1.081 32 R CB 0.123 30.374 30.300 -0.082 0.000 1.166 32 R HN 0.022 nan 8.270 nan 0.000 0.534 33 Y N 2.103 122.390 120.300 -0.022 0.000 2.620 33 Y HA -0.138 4.411 4.550 -0.001 0.000 0.330 33 Y C 0.644 176.620 175.900 0.128 0.000 1.186 33 Y CA 0.137 58.262 58.100 0.042 0.000 1.467 33 Y CB -0.075 38.480 38.460 0.159 0.000 1.262 33 Y HN 0.314 nan 8.280 nan 0.000 0.550 34 H N 2.691 121.764 119.070 0.004 0.000 2.820 34 H HA -0.249 4.306 4.556 -0.001 0.000 0.295 34 H C -0.140 175.245 175.328 0.096 0.000 1.187 34 H CA 0.819 56.839 56.048 -0.046 0.000 1.144 34 H CB -1.133 28.471 29.762 -0.263 0.000 1.354 34 H HN 0.652 nan 8.280 nan 0.000 0.395 35 D N 1.166 121.652 120.400 0.144 0.000 2.515 35 D HA 0.110 4.750 4.640 -0.001 0.000 0.232 35 D C 1.281 177.659 176.300 0.130 0.000 1.157 35 D CA 0.738 54.814 54.000 0.127 0.000 0.871 35 D CB 0.625 41.471 40.800 0.076 0.000 1.200 35 D HN 0.580 nan 8.370 nan 0.000 0.466 36 R N 0.187 120.760 120.500 0.122 0.000 2.710 36 R HA 0.645 4.985 4.340 -0.001 0.000 0.270 36 R C 0.241 176.593 176.300 0.087 0.000 1.021 36 R CA -0.601 55.563 56.100 0.105 0.000 0.889 36 R CB 0.932 31.304 30.300 0.120 0.000 1.243 36 R HN 0.565 nan 8.270 nan 0.000 0.464 37 G N 0.870 109.722 108.800 0.087 0.000 2.584 37 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.229 37 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.229 37 G C -0.546 174.387 174.900 0.056 0.000 1.320 37 G CA 0.165 45.309 45.100 0.072 0.000 0.891 37 G HN 0.957 nan 8.290 nan 0.000 0.573 38 D N -0.498 119.923 120.400 0.034 0.000 2.772 38 D HA -0.082 4.557 4.640 -0.001 0.000 0.233 38 D C 1.599 177.920 176.300 0.034 0.000 1.143 38 D CA 2.884 56.901 54.000 0.029 0.000 0.700 38 D CB -1.514 39.306 40.800 0.033 0.000 1.076 38 D HN 2.530 nan 8.370 nan 0.000 0.430 39 G N -0.649 108.175 108.800 0.040 0.000 2.168 39 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.257 39 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.257 39 G C 0.476 175.402 174.900 0.043 0.000 0.997 39 G CA 0.627 45.751 45.100 0.040 0.000 0.708 39 G HN 0.508 nan 8.290 nan 0.000 0.520 40 L N 0.174 121.428 121.223 0.050 0.000 2.453 40 L HA 0.543 4.883 4.340 -0.001 0.000 0.261 40 L C 0.725 177.624 176.870 0.048 0.000 1.179 40 L CA -0.129 54.739 54.840 0.048 0.000 0.813 40 L CB 1.027 43.117 42.059 0.052 0.000 1.110 40 L HN 0.108 nan 8.230 nan 0.000 0.466 41 T N 1.501 116.077 114.554 0.037 0.000 2.807 41 T HA 0.568 4.917 4.350 -0.001 0.000 0.279 41 T C -0.542 174.175 174.700 0.027 0.000 0.993 41 T CA -0.394 61.723 62.100 0.029 0.000 0.970 41 T CB 1.806 70.686 68.868 0.020 0.000 0.950 41 T HN 0.209 nan 8.240 nan 0.000 0.441 42 V N 4.196 124.125 119.914 0.025 0.000 2.638 42 V HA 0.403 4.523 4.120 -0.001 0.000 0.306 42 V C 0.069 176.183 176.094 0.035 0.000 1.052 42 V CA -1.075 61.245 62.300 0.032 0.000 0.885 42 V CB 1.765 33.614 31.823 0.043 0.000 0.999 42 V HN 0.972 nan 8.190 nan 0.000 0.424 43 N N 3.300 122.024 118.700 0.040 0.000 2.708 43 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 43 N C 1.186 176.707 175.510 0.018 0.000 1.097 43 N CA 1.750 54.831 53.050 0.052 0.000 0.710 43 N CB -1.073 37.500 38.487 0.142 0.000 1.032 43 N HN 1.639 nan 8.380 nan 0.000 0.551 44 G N -1.562 107.240 108.800 0.002 0.000 2.168 44 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.263 44 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.263 44 G C 0.075 174.954 174.900 -0.035 0.000 0.977 44 G CA 1.130 46.221 45.100 -0.016 0.000 0.659 44 G HN 0.573 nan 8.290 nan 0.000 0.533 45 K N 0.064 120.439 120.400 -0.041 0.000 2.221 45 K HA 0.577 4.897 4.320 -0.001 0.000 0.243 45 K C 0.211 176.791 176.600 -0.033 0.000 0.968 45 K CA -0.624 55.622 56.287 -0.069 0.000 0.846 45 K CB 1.203 33.618 32.500 -0.142 0.000 1.141 45 K HN 0.049 nan 8.250 nan 0.000 0.434 46 T N 1.030 115.566 114.554 -0.030 0.000 2.928 46 T HA -0.008 4.342 4.350 -0.001 0.000 0.305 46 T C 0.210 174.921 174.700 0.019 0.000 1.035 46 T CA 0.168 62.282 62.100 0.023 0.000 1.145 46 T CB 0.660 69.570 68.868 0.070 0.000 0.963 46 T HN 0.443 nan 8.240 nan 0.000 0.545 47 S N 2.419 118.173 115.700 0.090 0.000 2.480 47 S HA 0.479 4.949 4.470 -0.001 0.000 0.286 47 S C -1.147 173.617 174.600 0.273 0.000 1.180 47 S CA -0.735 57.534 58.200 0.115 0.000 1.075 47 S CB 0.101 63.350 63.200 0.082 0.000 0.996 47 S HN 0.467 nan 8.310 nan 0.000 0.487 48 Y N 2.645 122.965 120.300 0.034 0.000 2.361 48 Y HA 0.400 4.950 4.550 -0.001 0.000 0.332 48 Y C 1.109 176.973 175.900 -0.059 0.000 1.101 48 Y CA -1.642 56.413 58.100 -0.075 0.000 1.137 48 Y CB 1.472 39.750 38.460 -0.303 0.000 1.207 48 Y HN 0.833 nan 8.280 nan 0.000 0.463 49 S N 1.760 117.492 115.700 0.054 0.000 2.596 49 S HA 0.151 4.620 4.470 -0.001 0.000 0.260 49 S C 1.426 176.040 174.600 0.024 0.000 1.336 49 S CA -0.476 57.737 58.200 0.022 0.000 0.993 49 S CB 0.372 63.548 63.200 -0.041 0.000 0.923 49 S HN 0.600 nan 8.310 nan 0.000 0.567 50 I N 0.714 121.316 120.570 0.054 0.000 2.145 50 I HA -0.237 3.933 4.170 -0.001 0.000 0.244 50 I C 1.939 178.057 176.117 0.001 0.000 1.075 50 I CA 1.832 63.179 61.300 0.079 0.000 1.332 50 I CB -0.483 37.570 38.000 0.087 0.000 1.033 50 I HN 0.637 nan 8.210 nan 0.000 0.410 51 D N 0.121 120.475 120.400 -0.076 0.000 2.183 51 D HA -0.151 4.489 4.640 -0.001 0.000 0.203 51 D C 2.272 178.475 176.300 -0.162 0.000 0.969 51 D CA 1.000 54.933 54.000 -0.113 0.000 0.842 51 D CB -0.194 40.520 40.800 -0.143 0.000 0.957 51 D HN 0.450 nan 8.370 nan 0.000 0.484 52 Q N 0.287 119.949 119.800 -0.231 0.000 2.119 52 Q HA -0.020 4.320 4.340 -0.001 0.000 0.201 52 Q C 2.167 177.939 176.000 -0.380 0.000 0.972 52 Q CA 1.277 56.817 55.803 -0.439 0.000 0.847 52 Q CB -0.025 28.257 28.738 -0.761 0.000 0.903 52 Q HN 0.198 nan 8.270 nan 0.000 0.433 53 A N 0.978 123.678 122.820 -0.200 0.000 1.898 53 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 53 A C 2.276 179.849 177.584 -0.019 0.000 1.181 53 A CA 1.472 53.417 52.037 -0.153 0.000 0.620 53 A CB -0.752 18.285 19.000 0.061 0.000 0.819 53 A HN 0.389 nan 8.150 nan 0.000 0.442 54 A N -0.038 122.782 122.820 -0.002 0.000 1.902 54 A HA 0.145 4.464 4.320 -0.001 0.000 0.217 54 A C 2.490 180.063 177.584 -0.019 0.000 1.181 54 A CA 2.098 54.151 52.037 0.027 0.000 0.623 54 A CB -0.996 18.017 19.000 0.023 0.000 0.818 54 A HN 1.059 nan 8.150 nan 0.000 0.443 55 A N -0.933 121.833 122.820 -0.089 0.000 1.933 55 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 55 A C 2.141 179.685 177.584 -0.066 0.000 1.175 55 A CA 2.073 54.046 52.037 -0.107 0.000 0.628 55 A CB -0.451 18.445 19.000 -0.173 0.000 0.814 55 A HN 0.579 nan 8.150 nan 0.000 0.444 56 Q N 0.177 119.944 119.800 -0.056 0.000 2.079 56 Q HA -0.040 4.300 4.340 -0.001 0.000 0.200 56 Q C 1.675 177.711 176.000 0.061 0.000 0.974 56 Q CA 1.831 57.646 55.803 0.020 0.000 0.840 56 Q CB -0.473 28.304 28.738 0.065 0.000 0.898 56 Q HN 0.655 nan 8.270 nan 0.000 0.430 57 I N 0.336 120.957 120.570 0.085 0.000 2.454 57 I HA -0.183 3.987 4.170 -0.001 0.000 0.254 57 I C 1.427 177.564 176.117 0.033 0.000 1.156 57 I CA 1.568 62.928 61.300 0.100 0.000 1.433 57 I CB -0.291 37.798 38.000 0.149 0.000 1.082 57 I HN 0.340 nan 8.210 nan 0.000 0.432 58 T N -1.752 112.808 114.554 0.011 0.000 3.244 58 T HA 0.111 4.461 4.350 -0.001 0.000 0.254 58 T C 1.560 176.240 174.700 -0.034 0.000 1.024 58 T CA -0.532 61.557 62.100 -0.018 0.000 0.920 58 T CB -0.356 68.528 68.868 0.027 0.000 1.042 58 T HN 0.432 nan 8.240 nan 0.000 0.572 59 R N 1.203 121.679 120.500 -0.040 0.000 2.193 59 R HA 0.009 4.348 4.340 -0.001 0.000 0.229 59 R C 1.321 177.573 176.300 -0.079 0.000 1.110 59 R CA 0.901 56.977 56.100 -0.040 0.000 0.988 59 R CB -0.422 29.864 30.300 -0.023 0.000 0.871 59 R HN 0.272 nan 8.270 nan 0.000 0.458 60 E N 1.364 121.467 120.200 -0.162 0.000 2.418 60 E HA -0.071 4.278 4.350 -0.001 0.000 0.197 60 E C -0.118 176.355 176.600 -0.213 0.000 1.026 60 E CA 0.167 56.421 56.400 -0.242 0.000 0.862 60 E CB -0.290 29.107 29.700 -0.504 0.000 0.799 60 E HN 0.353 nan 8.360 nan 0.000 0.518 61 N N 0.355 118.963 118.700 -0.153 0.000 2.705 61 N HA -0.179 4.560 4.740 -0.001 0.000 0.255 61 N C -0.860 174.493 175.510 -0.261 0.000 1.008 61 N CA 0.648 53.616 53.050 -0.137 0.000 0.742 61 N CB -1.276 37.188 38.487 -0.039 0.000 0.906 61 N HN 0.070 nan 8.380 nan 0.000 0.541 62 V N -0.438 119.289 119.914 -0.312 0.000 2.925 62 V HA 0.857 4.976 4.120 -0.001 0.000 0.311 62 V C -0.315 175.572 176.094 -0.346 0.000 1.104 62 V CA 0.254 62.356 62.300 -0.329 0.000 0.954 62 V CB 2.346 33.964 31.823 -0.342 0.000 1.022 62 V HN 0.552 nan 8.190 nan 0.000 0.427 63 S N 3.526 119.030 115.700 -0.328 0.000 2.672 63 S HA 0.398 4.867 4.470 -0.001 0.000 0.271 63 S C -0.336 174.144 174.600 -0.200 0.000 1.171 63 S CA -0.463 57.574 58.200 -0.271 0.000 0.817 63 S CB 0.873 63.825 63.200 -0.413 0.000 1.150 63 S HN 0.733 nan 8.310 nan 0.000 0.478 64 W N 1.144 122.538 121.300 0.155 0.000 2.611 64 W HA 0.161 4.820 4.660 -0.001 0.000 0.251 64 W C 1.619 178.170 176.519 0.054 0.000 1.265 64 W CA 0.263 57.671 57.345 0.105 0.000 1.295 64 W CB -0.116 29.412 29.460 0.114 0.000 1.129 64 W HN 0.608 nan 8.180 nan 0.000 0.630 65 N N -0.437 118.381 118.700 0.196 0.000 2.336 65 N HA 0.195 4.935 4.740 -0.001 0.000 0.189 65 N C 0.883 176.383 175.510 -0.018 0.000 1.113 65 N CA 1.282 54.382 53.050 0.083 0.000 0.858 65 N CB 0.553 39.065 38.487 0.040 0.000 0.970 65 N HN 0.171 nan 8.380 nan 0.000 0.471 66 G N 0.045 108.804 108.800 -0.069 0.000 2.306 66 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.262 66 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.262 66 G C -0.881 173.908 174.900 -0.186 0.000 1.263 66 G CA -0.367 44.670 45.100 -0.105 0.000 1.088 66 G HN 0.182 nan 8.290 nan 0.000 0.489 67 T N -2.186 112.265 114.554 -0.173 0.000 2.829 67 T HA 0.592 4.941 4.350 -0.001 0.000 0.282 67 T C 0.449 174.993 174.700 -0.261 0.000 0.990 67 T CA 0.472 62.446 62.100 -0.210 0.000 1.028 67 T CB 1.355 70.138 68.868 -0.141 0.000 0.951 67 T HN 1.629 nan 8.240 nan 0.000 0.460 68 N N -0.485 117.986 118.700 -0.380 0.000 2.735 68 N HA -0.120 4.619 4.740 -0.001 0.000 0.248 68 N C -0.823 174.286 175.510 -0.668 0.000 1.083 68 N CA 0.460 53.217 53.050 -0.488 0.000 0.703 68 N CB -1.208 37.197 38.487 -0.137 0.000 1.005 68 N HN 0.567 nan 8.380 nan 0.000 0.550 69 V N 1.336 120.768 119.914 -0.803 0.000 2.357 69 V HA 0.543 4.662 4.120 -0.001 0.000 0.284 69 V C -0.061 175.573 176.094 -0.767 0.000 1.018 69 V CA -0.369 61.595 62.300 -0.560 0.000 0.841 69 V CB 0.437 32.082 31.823 -0.297 0.000 0.991 69 V HN 0.116 nan 8.190 nan 0.000 0.437 70 F N 1.330 121.221 119.950 -0.099 0.000 2.538 70 F HA 0.713 5.239 4.527 -0.001 0.000 0.325 70 F C 1.228 176.982 175.800 -0.077 0.000 1.066 70 F CA -0.231 57.701 58.000 -0.113 0.000 0.946 70 F CB 1.884 40.830 39.000 -0.090 0.000 1.199 70 F HN 0.643 nan 8.300 nan 0.000 0.473 71 G N 1.658 110.536 108.800 0.130 0.000 2.225 71 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.267 71 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.267 71 G C -0.251 174.690 174.900 0.068 0.000 1.024 71 G CA 0.249 45.401 45.100 0.088 0.000 0.784 71 G HN 0.639 nan 8.290 nan 0.000 0.507 72 K N 0.619 121.045 120.400 0.043 0.000 2.323 72 K HA 0.582 4.901 4.320 -0.001 0.000 0.259 72 K C 1.011 177.706 176.600 0.160 0.000 0.947 72 K CA -0.059 56.270 56.287 0.070 0.000 0.819 72 K CB 1.029 33.548 32.500 0.031 0.000 1.109 72 K HN 0.366 nan 8.250 nan 0.000 0.429 73 S N 2.237 118.019 115.700 0.138 0.000 2.596 73 S HA 0.579 5.049 4.470 -0.001 0.000 0.260 73 S C -0.129 174.551 174.600 0.132 0.000 1.336 73 S CA -0.610 57.675 58.200 0.141 0.000 0.993 73 S CB 1.264 64.501 63.200 0.062 0.000 0.923 73 S HN 0.685 nan 8.310 nan 0.000 0.567 74 A N 1.081 123.908 122.820 0.012 0.000 2.549 74 A HA 0.671 4.990 4.320 -0.001 0.000 0.297 74 A C -1.154 176.320 177.584 -0.185 0.000 1.061 74 A CA -1.134 50.870 52.037 -0.055 0.000 0.690 74 A CB 0.986 19.970 19.000 -0.027 0.000 1.287 74 A HN 0.881 nan 8.150 nan 0.000 0.402 75 N N 0.679 119.286 118.700 -0.155 0.000 2.446 75 N HA 0.628 5.368 4.740 -0.001 0.000 0.265 75 N C -1.115 174.263 175.510 -0.220 0.000 0.975 75 N CA -0.266 52.671 53.050 -0.188 0.000 0.928 75 N CB 1.520 39.940 38.487 -0.112 0.000 1.160 75 N HN 0.554 nan 8.380 nan 0.000 0.495 76 L N 0.958 122.014 121.223 -0.278 0.000 2.323 76 L HA 0.644 4.984 4.340 -0.001 0.000 0.265 76 L C 0.326 177.158 176.870 -0.064 0.000 1.012 76 L CA -0.972 53.707 54.840 -0.268 0.000 0.820 76 L CB 2.018 43.874 42.059 -0.338 0.000 1.334 76 L HN 0.482 nan 8.230 nan 0.000 0.427 77 T N -1.342 113.147 114.554 -0.109 0.000 2.945 77 T HA 0.776 5.126 4.350 -0.001 0.000 0.286 77 T C -0.658 174.066 174.700 0.040 0.000 1.025 77 T CA -0.594 61.477 62.100 -0.048 0.000 1.039 77 T CB 1.708 70.481 68.868 -0.158 0.000 1.068 77 T HN 0.418 nan 8.240 nan 0.000 0.497 78 F N -1.436 118.438 119.950 -0.128 0.000 2.626 78 F HA 0.875 5.401 4.527 -0.001 0.000 0.311 78 F C -0.915 174.728 175.800 -0.261 0.000 1.088 78 F CA -1.268 56.607 58.000 -0.208 0.000 0.949 78 F CB 2.107 41.001 39.000 -0.176 0.000 1.322 78 F HN 0.822 nan 8.300 nan 0.000 0.461 79 K N 2.180 122.436 120.400 -0.240 0.000 2.525 79 K HA 0.472 4.792 4.320 -0.001 0.000 0.254 79 K C -2.301 174.097 176.600 -0.336 0.000 0.934 79 K CA -0.649 55.441 56.287 -0.330 0.000 0.802 79 K CB 1.859 34.233 32.500 -0.209 0.000 1.295 79 K HN 0.751 nan 8.250 nan 0.000 0.433 80 F N 4.846 124.805 119.950 0.014 0.000 2.375 80 F HA 0.298 4.824 4.527 -0.001 0.000 0.362 80 F C 0.465 176.272 175.800 0.013 0.000 1.129 80 F CA -0.788 57.193 58.000 -0.032 0.000 1.154 80 F CB 0.642 39.623 39.000 -0.032 0.000 1.205 80 F HN 0.191 nan 8.300 nan 0.000 0.513 81 L N 4.326 125.638 121.223 0.148 0.000 2.490 81 L HA 0.023 4.362 4.340 -0.001 0.000 0.274 81 L C 1.163 178.242 176.870 0.348 0.000 1.201 81 L CA -0.060 54.877 54.840 0.163 0.000 0.869 81 L CB 0.577 42.696 42.059 0.101 0.000 1.123 81 L HN 0.617 nan 8.230 nan 0.000 0.484 82 Q N 1.304 121.238 119.800 0.224 0.000 2.352 82 Q HA 0.137 4.476 4.340 -0.001 0.000 0.212 82 Q C 0.146 176.316 176.000 0.285 0.000 0.888 82 Q CA 0.245 56.213 55.803 0.275 0.000 0.934 82 Q CB 0.934 29.764 28.738 0.153 0.000 1.093 82 Q HN 0.828 nan 8.270 nan 0.000 0.523 83 S N -0.952 114.747 115.700 -0.000 0.000 2.587 83 S HA 0.674 5.143 4.470 -0.001 0.000 0.269 83 S C -0.649 173.649 174.600 -0.503 0.000 1.154 83 S CA -0.670 57.402 58.200 -0.213 0.000 0.824 83 S CB 1.734 64.913 63.200 -0.036 0.000 1.118 83 S HN 0.045 nan 8.310 nan 0.000 0.462 84 V N -0.949 118.645 119.914 -0.533 0.000 3.078 84 V HA 0.821 4.940 4.120 -0.001 0.000 0.311 84 V C 0.877 176.871 176.094 -0.166 0.000 1.138 84 V CA -0.135 61.958 62.300 -0.346 0.000 1.007 84 V CB 1.267 32.849 31.823 -0.402 0.000 1.045 84 V HN 1.372 nan 8.190 nan 0.000 0.432 85 S N 1.290 116.929 115.700 -0.102 0.000 2.388 85 S HA 0.248 4.718 4.470 -0.001 0.000 0.223 85 S C 0.846 175.409 174.600 -0.061 0.000 1.034 85 S CA 0.636 58.798 58.200 -0.063 0.000 0.963 85 S CB -0.388 62.784 63.200 -0.046 0.000 0.827 85 S HN 2.095 nan 8.310 nan 0.000 0.481 86 S N -0.212 115.442 115.700 -0.077 0.000 2.587 86 S HA 0.648 5.117 4.470 -0.001 0.000 0.269 86 S C -1.271 173.238 174.600 -0.152 0.000 1.154 86 S CA -1.194 56.951 58.200 -0.092 0.000 0.824 86 S CB 0.574 63.727 63.200 -0.080 0.000 1.118 86 S HN 0.288 nan 8.310 nan 0.000 0.462 87 I N 2.206 122.632 120.570 -0.240 0.000 2.353 87 I HA 0.370 4.539 4.170 -0.001 0.000 0.293 87 I C -1.380 174.501 176.117 -0.392 0.000 0.992 87 I CA -2.627 58.356 61.300 -0.529 0.000 1.268 87 I CB 2.059 39.623 38.000 -0.727 0.000 1.387 87 I HN 0.572 nan 8.210 nan 0.000 0.478 88 P HA -0.117 nan 4.420 nan 0.000 0.225 88 P C 1.119 178.316 177.300 -0.171 0.000 1.148 88 P CA 0.972 63.914 63.100 -0.263 0.000 0.779 88 P CB 0.134 31.592 31.700 -0.404 0.000 0.780 89 S N -1.741 113.858 115.700 -0.168 0.000 2.527 89 S HA 0.258 4.727 4.470 -0.001 0.000 0.222 89 S C 1.789 176.277 174.600 -0.187 0.000 0.985 89 S CA 0.674 58.780 58.200 -0.156 0.000 0.921 89 S CB -0.962 62.033 63.200 -0.341 0.000 0.772 89 S HN 0.297 nan 8.310 nan 0.000 0.529 90 G N 1.015 109.707 108.800 -0.181 0.000 2.217 90 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.246 90 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.246 90 G C -0.224 174.599 174.900 -0.128 0.000 0.990 90 G CA 0.082 45.100 45.100 -0.137 0.000 0.627 90 G HN 0.525 nan 8.290 nan 0.000 0.522 91 D N 1.238 121.530 120.400 -0.179 0.000 2.362 91 D HA 0.517 5.156 4.640 -0.001 0.000 0.238 91 D C 1.250 177.531 176.300 -0.031 0.000 1.212 91 D CA 1.442 55.370 54.000 -0.121 0.000 0.902 91 D CB 1.032 41.669 40.800 -0.272 0.000 1.180 91 D HN 0.676 nan 8.370 nan 0.000 0.445 92 T N -4.324 110.280 114.554 0.083 0.000 2.654 92 T HA 0.558 4.908 4.350 -0.001 0.000 0.289 92 T C 0.636 175.464 174.700 0.214 0.000 1.062 92 T CA -0.324 61.849 62.100 0.122 0.000 1.041 92 T CB 1.278 70.195 68.868 0.082 0.000 1.417 92 T HN 0.565 nan 8.240 nan 0.000 0.510 93 G N 0.621 109.538 108.800 0.195 0.000 2.272 93 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.280 93 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.280 93 G C -0.194 174.851 174.900 0.242 0.000 1.067 93 G CA -0.037 45.183 45.100 0.200 0.000 0.902 93 G HN 1.132 nan 8.290 nan 0.000 0.500 94 F N 0.218 120.260 119.950 0.153 0.000 2.629 94 F HA 0.426 4.953 4.527 -0.001 0.000 0.377 94 F C 0.375 176.244 175.800 0.116 0.000 1.101 94 F CA 0.296 58.410 58.000 0.191 0.000 1.301 94 F CB 0.806 39.918 39.000 0.186 0.000 1.062 94 F HN 0.153 nan 8.300 nan 0.000 0.583 95 V N 6.591 125.927 119.914 -0.963 0.000 2.623 95 V HA 0.241 4.361 4.120 -0.001 0.000 0.304 95 V C -0.497 174.890 176.094 -1.178 0.000 1.054 95 V CA -1.277 60.461 62.300 -0.936 0.000 0.882 95 V CB 1.832 33.169 31.823 -0.809 0.000 1.002 95 V HN 0.799 nan 8.190 nan 0.000 0.424 96 K N 3.749 123.670 120.400 -0.799 0.000 2.230 96 K HA 0.389 4.708 4.320 -0.001 0.000 0.253 96 K C -0.309 176.289 176.600 -0.002 0.000 1.008 96 K CA -0.347 55.811 56.287 -0.216 0.000 0.910 96 K CB 0.799 33.358 32.500 0.098 0.000 0.994 96 K HN 0.412 nan 8.250 nan 0.000 0.495 97 F N 2.044 121.962 119.950 -0.052 0.000 2.572 97 F HA -0.077 4.449 4.527 -0.001 0.000 0.370 97 F C 1.173 176.917 175.800 -0.094 0.000 1.103 97 F CA -0.561 57.406 58.000 -0.056 0.000 1.286 97 F CB 0.533 39.483 39.000 -0.083 0.000 1.105 97 F HN 0.786 nan 8.300 nan 0.000 0.583 98 N N 2.642 121.329 118.700 -0.022 0.000 2.413 98 N HA 0.318 5.057 4.740 -0.001 0.000 0.266 98 N C 0.445 175.898 175.510 -0.096 0.000 1.238 98 N CA -0.101 52.933 53.050 -0.027 0.000 0.972 98 N CB 0.518 39.028 38.487 0.038 0.000 1.210 98 N HN 0.543 nan 8.380 nan 0.000 0.547 99 A N -0.575 122.196 122.820 -0.081 0.000 1.933 99 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 99 A C 1.981 179.496 177.584 -0.115 0.000 1.175 99 A CA 1.691 53.665 52.037 -0.106 0.000 0.628 99 A CB -1.084 17.875 19.000 -0.068 0.000 0.814 99 A HN 0.902 nan 8.150 nan 0.000 0.444 100 E N -0.320 119.821 120.200 -0.098 0.000 2.072 100 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 100 E C 2.143 178.684 176.600 -0.097 0.000 0.985 100 E CA 1.168 57.513 56.400 -0.092 0.000 0.801 100 E CB -0.166 29.479 29.700 -0.091 0.000 0.750 100 E HN 0.758 nan 8.360 nan 0.000 0.452 101 Q N 0.240 119.947 119.800 -0.155 0.000 2.096 101 Q HA -0.178 4.162 4.340 -0.001 0.000 0.204 101 Q C 2.340 178.265 176.000 -0.125 0.000 0.982 101 Q CA 1.518 57.209 55.803 -0.188 0.000 0.850 101 Q CB -0.129 28.140 28.738 -0.781 0.000 0.901 101 Q HN 0.415 nan 8.270 nan 0.000 0.422 102 I N 0.571 120.999 120.570 -0.236 0.000 2.163 102 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 102 I C 2.479 178.478 176.117 -0.197 0.000 1.085 102 I CA 1.270 62.280 61.300 -0.484 0.000 1.347 102 I CB -0.185 37.388 38.000 -0.711 0.000 1.044 102 I HN 0.207 nan 8.210 nan 0.000 0.408 103 E N 0.739 120.872 120.200 -0.113 0.000 2.051 103 E HA -0.242 4.108 4.350 -0.001 0.000 0.192 103 E C 2.187 178.792 176.600 0.007 0.000 0.991 103 E CA 1.518 57.895 56.400 -0.038 0.000 0.799 103 E CB -0.086 29.593 29.700 -0.036 0.000 0.748 103 E HN 0.334 nan 8.360 nan 0.000 0.449 104 Q N -0.231 119.595 119.800 0.043 0.000 2.119 104 Q HA -0.034 4.305 4.340 -0.001 0.000 0.201 104 Q C 2.172 178.292 176.000 0.200 0.000 0.972 104 Q CA 1.394 57.268 55.803 0.117 0.000 0.847 104 Q CB -0.460 28.339 28.738 0.101 0.000 0.903 104 Q HN 0.406 nan 8.270 nan 0.000 0.433 105 A N 1.362 124.257 122.820 0.125 0.000 1.933 105 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 105 A C 2.078 179.553 177.584 -0.181 0.000 1.175 105 A CA 1.474 53.411 52.037 -0.167 0.000 0.628 105 A CB -0.273 18.280 19.000 -0.744 0.000 0.814 105 A HN 0.240 nan 8.150 nan 0.000 0.444 106 K N -0.400 119.945 120.400 -0.092 0.000 2.097 106 K HA 0.038 4.358 4.320 -0.001 0.000 0.205 106 K C 1.760 178.333 176.600 -0.045 0.000 1.050 106 K CA 1.088 57.312 56.287 -0.106 0.000 0.938 106 K CB -0.301 32.221 32.500 0.035 0.000 0.718 106 K HN 0.469 nan 8.250 nan 0.000 0.442 107 L N 0.401 121.633 121.223 0.016 0.000 2.093 107 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 107 L C 2.335 179.237 176.870 0.054 0.000 1.085 107 L CA 0.988 55.864 54.840 0.059 0.000 0.755 107 L CB -0.371 41.734 42.059 0.076 0.000 0.904 107 L HN 0.104 nan 8.230 nan 0.000 0.435 108 S N 0.166 115.891 115.700 0.041 0.000 2.356 108 S HA -0.131 4.339 4.470 -0.001 0.000 0.223 108 S C 1.996 176.630 174.600 0.056 0.000 1.032 108 S CA 1.172 59.393 58.200 0.035 0.000 1.005 108 S CB -0.299 63.001 63.200 0.167 0.000 0.867 108 S HN 0.259 nan 8.310 nan 0.000 0.449 109 L N 1.378 122.573 121.223 -0.047 0.000 2.012 109 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 109 L C 2.831 179.771 176.870 0.116 0.000 1.073 109 L CA 1.641 56.361 54.840 -0.200 0.000 0.748 109 L CB -0.540 41.065 42.059 -0.758 0.000 0.891 109 L HN 0.398 nan 8.230 nan 0.000 0.431 110 Q N -0.054 119.805 119.800 0.099 0.000 2.124 110 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 110 Q C 2.280 178.406 176.000 0.210 0.000 0.977 110 Q CA 2.042 57.961 55.803 0.193 0.000 0.850 110 Q CB -0.014 28.814 28.738 0.149 0.000 0.901 110 Q HN 0.607 nan 8.270 nan 0.000 0.429 111 S N -1.318 114.449 115.700 0.111 0.000 2.423 111 S HA -0.134 4.335 4.470 -0.001 0.000 0.231 111 S C 1.334 175.893 174.600 -0.069 0.000 1.014 111 S CA 0.701 58.895 58.200 -0.011 0.000 0.965 111 S CB -0.607 62.353 63.200 -0.400 0.000 0.785 111 S HN 0.588 nan 8.310 nan 0.000 0.495 112 W N 2.354 123.731 121.300 0.127 0.000 2.481 112 W HA 0.081 4.741 4.660 -0.001 0.000 0.293 112 W C 3.086 179.708 176.519 0.171 0.000 1.201 112 W CA 0.684 58.120 57.345 0.152 0.000 1.328 112 W CB -0.370 29.216 29.460 0.210 0.000 1.112 112 W HN 0.453 nan 8.180 nan 0.000 0.546 113 S N -0.499 115.498 115.700 0.495 0.000 2.447 113 S HA -0.165 4.305 4.470 -0.001 0.000 0.233 113 S C 1.246 175.970 174.600 0.207 0.000 1.006 113 S CA 1.418 59.780 58.200 0.269 0.000 0.957 113 S CB -0.457 62.884 63.200 0.236 0.000 0.773 113 S HN 0.096 nan 8.310 nan 0.000 0.507 114 D N 1.647 122.195 120.400 0.247 0.000 2.178 114 D HA -0.060 4.579 4.640 -0.001 0.000 0.201 114 D C 2.095 178.540 176.300 0.242 0.000 0.980 114 D CA 1.495 55.662 54.000 0.278 0.000 0.842 114 D CB -0.131 40.881 40.800 0.353 0.000 0.948 114 D HN 0.571 nan 8.370 nan 0.000 0.472 115 V N -2.854 117.107 119.914 0.079 0.000 3.263 115 V HA 0.525 4.644 4.120 -0.001 0.000 0.248 115 V C 0.722 176.602 176.094 -0.356 0.000 1.145 115 V CA 0.467 62.563 62.300 -0.340 0.000 1.107 115 V CB 0.069 31.725 31.823 -0.278 0.000 0.797 115 V HN 0.062 nan 8.190 nan 0.000 0.467 116 A N 0.517 123.310 122.820 -0.045 0.000 2.386 116 A HA 0.570 4.889 4.320 -0.001 0.000 0.308 116 A C -0.195 177.400 177.584 0.019 0.000 1.128 116 A CA -0.653 51.385 52.037 0.002 0.000 0.789 116 A CB 0.721 19.800 19.000 0.132 0.000 1.325 116 A HN 0.358 nan 8.150 nan 0.000 0.437 117 N N 0.555 119.281 118.700 0.042 0.000 2.819 117 N HA 0.393 5.133 4.740 -0.001 0.000 0.284 117 N C -1.192 174.270 175.510 -0.079 0.000 1.196 117 N CA 0.068 53.129 53.050 0.019 0.000 1.114 117 N CB -0.396 38.128 38.487 0.062 0.000 1.437 117 N HN 0.476 nan 8.380 nan 0.000 0.518 118 L N 1.074 122.187 121.223 -0.184 0.000 2.388 118 L HA 0.508 4.848 4.340 -0.001 0.000 0.264 118 L C -0.052 176.563 176.870 -0.426 0.000 0.998 118 L CA -0.914 53.665 54.840 -0.435 0.000 0.817 118 L CB 2.246 43.917 42.059 -0.646 0.000 1.338 118 L HN 0.236 nan 8.230 nan 0.000 0.414 119 T N -1.582 112.673 114.554 -0.499 0.000 2.887 119 T HA 0.722 5.071 4.350 -0.001 0.000 0.288 119 T C -0.849 173.546 174.700 -0.509 0.000 1.021 119 T CA -0.573 61.322 62.100 -0.342 0.000 1.000 119 T CB 1.487 70.269 68.868 -0.142 0.000 1.034 119 T HN 0.206 nan 8.240 nan 0.000 0.467 120 F N 0.696 120.683 119.950 0.060 0.000 2.507 120 F HA 0.580 5.106 4.527 -0.001 0.000 0.325 120 F C 0.361 176.327 175.800 0.277 0.000 1.116 120 F CA -0.770 57.323 58.000 0.156 0.000 0.930 120 F CB 2.811 41.868 39.000 0.094 0.000 1.146 120 F HN 0.598 nan 8.300 nan 0.000 0.447 121 T N 2.165 116.959 114.554 0.401 0.000 2.841 121 T HA 0.179 4.529 4.350 -0.001 0.000 0.285 121 T C -0.736 173.813 174.700 -0.252 0.000 0.991 121 T CA -0.753 61.423 62.100 0.127 0.000 0.966 121 T CB 1.592 70.466 68.868 0.011 0.000 0.962 121 T HN 0.570 nan 8.240 nan 0.000 0.438 122 E N 2.561 122.427 120.200 -0.556 0.000 2.354 122 E HA 0.432 4.781 4.350 -0.001 0.000 0.269 122 E C -0.233 176.070 176.600 -0.495 0.000 1.036 122 E CA -0.638 55.114 56.400 -1.081 0.000 0.876 122 E CB 0.648 29.835 29.700 -0.856 0.000 1.009 122 E HN 0.497 nan 8.360 nan 0.000 0.416 123 V N 1.068 120.705 119.914 -0.461 0.000 2.960 123 V HA 0.777 4.897 4.120 -0.001 0.000 0.315 123 V C -0.084 175.896 176.094 -0.190 0.000 1.087 123 V CA -0.233 61.918 62.300 -0.249 0.000 0.982 123 V CB 1.482 33.186 31.823 -0.198 0.000 1.039 123 V HN 0.874 nan 8.190 nan 0.000 0.437 124 T N -1.032 113.454 114.554 -0.112 0.000 2.693 124 T HA 0.901 5.251 4.350 -0.001 0.000 0.278 124 T C 0.777 175.449 174.700 -0.047 0.000 0.994 124 T CA 0.213 62.276 62.100 -0.062 0.000 1.033 124 T CB 0.959 69.808 68.868 -0.032 0.000 1.342 124 T HN 2.625 nan 8.240 nan 0.000 0.538 125 G N 1.617 110.403 108.800 -0.023 0.000 2.596 125 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.295 125 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.295 125 G C 0.296 175.179 174.900 -0.029 0.000 1.240 125 G CA 0.623 45.711 45.100 -0.020 0.000 0.985 125 G HN 0.994 nan 8.290 nan 0.000 0.555 126 N N 1.128 119.810 118.700 -0.031 0.000 2.336 126 N HA 0.197 4.936 4.740 -0.001 0.000 0.189 126 N C 0.622 176.105 175.510 -0.045 0.000 1.113 126 N CA 0.592 53.621 53.050 -0.034 0.000 0.858 126 N CB 0.331 38.801 38.487 -0.027 0.000 0.970 126 N HN 0.581 nan 8.380 nan 0.000 0.471 127 K N 1.056 121.423 120.400 -0.055 0.000 2.436 127 K HA 0.099 4.419 4.320 -0.001 0.000 0.275 127 K C 0.461 177.014 176.600 -0.079 0.000 0.999 127 K CA -0.137 56.109 56.287 -0.067 0.000 0.980 127 K CB 0.467 32.920 32.500 -0.079 0.000 0.919 127 K HN 0.166 nan 8.250 nan 0.000 0.484 128 S N 1.115 116.768 115.700 -0.078 0.000 2.585 128 S HA 0.549 5.018 4.470 -0.001 0.000 0.273 128 S C -0.223 174.305 174.600 -0.120 0.000 1.339 128 S CA -0.934 57.214 58.200 -0.087 0.000 1.028 128 S CB 1.435 64.591 63.200 -0.074 0.000 0.906 128 S HN 0.620 nan 8.310 nan 0.000 0.528 129 A N 1.578 124.315 122.820 -0.138 0.000 2.498 129 A HA 0.618 4.938 4.320 -0.001 0.000 0.298 129 A C 0.356 177.803 177.584 -0.228 0.000 1.075 129 A CA -1.094 50.833 52.037 -0.183 0.000 0.714 129 A CB 0.840 19.728 19.000 -0.187 0.000 1.299 129 A HN 0.870 nan 8.150 nan 0.000 0.407 130 N N 0.094 118.577 118.700 -0.363 0.000 2.080 130 N HA 0.004 4.743 4.740 -0.001 0.000 0.189 130 N C 0.014 175.333 175.510 -0.317 0.000 1.036 130 N CA 1.339 53.987 53.050 -0.668 0.000 0.846 130 N CB -0.082 37.628 38.487 -1.296 0.000 1.015 130 N HN 0.667 nan 8.380 nan 0.000 0.423 131 I N 0.508 120.933 120.570 -0.242 0.000 2.404 131 I HA 0.242 4.411 4.170 -0.001 0.000 0.293 131 I C -0.320 175.571 176.117 -0.378 0.000 0.992 131 I CA -0.678 60.481 61.300 -0.235 0.000 1.149 131 I CB 1.820 39.675 38.000 -0.242 0.000 1.315 131 I HN 0.088 nan 8.210 nan 0.000 0.446 132 T N 2.022 116.251 114.554 -0.540 0.000 2.924 132 T HA 0.716 5.066 4.350 -0.001 0.000 0.291 132 T C -0.838 173.273 174.700 -0.981 0.000 1.045 132 T CA -0.670 61.077 62.100 -0.588 0.000 1.015 132 T CB 1.762 70.393 68.868 -0.395 0.000 1.103 132 T HN 0.185 nan 8.240 nan 0.000 0.496 133 F N -0.101 119.484 119.950 -0.609 0.000 2.540 133 F HA 0.788 5.315 4.527 -0.001 0.000 0.317 133 F C 0.687 176.094 175.800 -0.656 0.000 1.104 133 F CA -0.360 57.185 58.000 -0.758 0.000 0.913 133 F CB 2.759 41.008 39.000 -1.251 0.000 1.170 133 F HN 1.173 nan 8.300 nan 0.000 0.450 134 G N 1.990 110.680 108.800 -0.184 0.000 2.646 134 G HA2 0.393 4.352 3.960 -0.001 0.000 0.291 134 G HA3 0.393 4.352 3.960 -0.001 0.000 0.291 134 G C -2.026 173.312 174.900 0.731 0.000 1.445 134 G CA -0.986 44.329 45.100 0.358 0.000 0.814 134 G HN 0.434 nan 8.290 nan 0.000 0.495 135 N N -0.733 118.302 118.700 0.557 0.000 2.443 135 N HA 0.657 5.396 4.740 -0.001 0.000 0.293 135 N C -1.116 174.654 175.510 0.434 0.000 1.159 135 N CA -0.298 53.039 53.050 0.479 0.000 0.904 135 N CB 2.141 40.745 38.487 0.194 0.000 1.214 135 N HN 0.679 nan 8.380 nan 0.000 0.513 136 Y N -2.647 117.871 120.300 0.363 0.000 2.633 136 Y HA 0.669 5.219 4.550 -0.001 0.000 0.339 136 Y C 0.649 176.690 175.900 0.235 0.000 1.045 136 Y CA -0.867 57.398 58.100 0.275 0.000 1.098 136 Y CB 1.101 39.722 38.460 0.268 0.000 1.296 136 Y HN 0.536 nan 8.280 nan 0.000 0.494 137 T N -2.819 111.918 114.554 0.305 0.000 3.131 137 T HA 0.479 4.828 4.350 -0.001 0.000 0.283 137 T C 0.008 174.862 174.700 0.256 0.000 0.906 137 T CA -0.421 61.797 62.100 0.197 0.000 0.882 137 T CB 0.081 69.044 68.868 0.159 0.000 1.208 137 T HN 0.680 nan 8.240 nan 0.000 0.561 138 R N 1.564 122.252 120.500 0.314 0.000 2.774 138 R HA 0.606 4.946 4.340 -0.001 0.000 0.272 138 R C -1.463 174.952 176.300 0.191 0.000 1.000 138 R CA -0.868 55.360 56.100 0.214 0.000 0.906 138 R CB 1.236 31.625 30.300 0.149 0.000 1.227 138 R HN 0.265 nan 8.270 nan 0.000 0.468 139 D N 0.430 120.898 120.400 0.112 0.000 2.478 139 D HA 0.238 4.877 4.640 -0.001 0.000 0.269 139 D C 0.852 177.167 176.300 0.025 0.000 1.232 139 D CA -0.516 53.513 54.000 0.049 0.000 1.059 139 D CB 0.316 41.130 40.800 0.023 0.000 1.104 139 D HN 0.465 nan 8.370 nan 0.000 0.566 140 A N -0.554 122.259 122.820 -0.011 0.000 2.070 140 A HA -0.086 4.234 4.320 -0.001 0.000 0.220 140 A C 1.962 179.546 177.584 -0.001 0.000 1.159 140 A CA 1.267 53.294 52.037 -0.017 0.000 0.656 140 A CB -0.798 18.178 19.000 -0.039 0.000 0.800 140 A HN 0.425 nan 8.150 nan 0.000 0.453 141 S N -1.633 114.070 115.700 0.005 0.000 2.603 141 S HA 0.338 4.807 4.470 -0.001 0.000 0.220 141 S C 1.405 176.020 174.600 0.024 0.000 0.967 141 S CA 0.782 58.988 58.200 0.011 0.000 0.920 141 S CB 0.038 63.244 63.200 0.009 0.000 0.773 141 S HN 1.580 nan 8.310 nan 0.000 0.529 142 G N 2.024 110.845 108.800 0.036 0.000 2.141 142 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.242 142 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.242 142 G C -0.292 174.643 174.900 0.059 0.000 0.982 142 G CA -0.437 44.693 45.100 0.050 0.000 0.662 142 G HN 0.441 nan 8.290 nan 0.000 0.527 143 N N -0.141 118.593 118.700 0.055 0.000 2.487 143 N HA 0.538 5.277 4.740 -0.001 0.000 0.292 143 N C 0.209 175.767 175.510 0.080 0.000 1.108 143 N CA -0.664 52.423 53.050 0.061 0.000 0.956 143 N CB 1.734 40.247 38.487 0.042 0.000 1.176 143 N HN 0.244 nan 8.380 nan 0.000 0.484 144 L N 1.263 122.544 121.223 0.097 0.000 2.485 144 L HA 0.035 4.374 4.340 -0.001 0.000 0.275 144 L C 0.114 177.046 176.870 0.104 0.000 1.207 144 L CA 0.529 55.447 54.840 0.130 0.000 0.855 144 L CB 0.165 42.324 42.059 0.167 0.000 1.114 144 L HN 0.467 nan 8.230 nan 0.000 0.485 145 D N 3.008 123.486 120.400 0.130 0.000 2.453 145 D HA 0.155 4.794 4.640 -0.001 0.000 0.238 145 D C -0.301 176.065 176.300 0.110 0.000 1.088 145 D CA -0.323 53.721 54.000 0.074 0.000 0.854 145 D CB 0.537 41.455 40.800 0.197 0.000 1.076 145 D HN 0.461 nan 8.370 nan 0.000 0.533 146 Y N 1.767 122.123 120.300 0.093 0.000 2.507 146 Y HA 0.515 5.065 4.550 -0.001 0.000 0.254 146 Y C 1.366 177.307 175.900 0.067 0.000 1.171 146 Y CA -0.362 57.778 58.100 0.066 0.000 1.238 146 Y CB 0.419 38.904 38.460 0.043 0.000 1.148 146 Y HN 0.254 nan 8.280 nan 0.000 0.525 147 G N 0.605 109.359 108.800 -0.076 0.000 2.651 147 G HA2 0.041 4.001 3.960 -0.001 0.000 0.207 147 G HA3 0.041 4.001 3.960 -0.001 0.000 0.207 147 G C 0.758 175.710 174.900 0.086 0.000 1.131 147 G CA 0.586 45.684 45.100 -0.004 0.000 0.816 147 G HN 0.439 nan 8.290 nan 0.000 0.534 148 T N -2.075 112.561 114.554 0.136 0.000 2.754 148 T HA 0.460 4.810 4.350 -0.001 0.000 0.286 148 T C 0.835 175.685 174.700 0.251 0.000 0.997 148 T CA 0.331 62.562 62.100 0.218 0.000 0.982 148 T CB 2.031 71.096 68.868 0.327 0.000 1.027 148 T HN 0.153 nan 8.240 nan 0.000 0.529 149 Q N 0.293 120.271 119.800 0.296 0.000 2.618 149 Q HA 0.638 4.977 4.340 -0.001 0.000 0.209 149 Q C -0.068 176.127 176.000 0.325 0.000 0.797 149 Q CA 0.718 56.679 55.803 0.263 0.000 0.888 149 Q CB 0.431 29.307 28.738 0.229 0.000 1.244 149 Q HN 1.182 nan 8.270 nan 0.000 0.626 150 A N -1.111 121.925 122.820 0.359 0.000 2.544 150 A HA 0.633 4.952 4.320 -0.001 0.000 0.291 150 A C -1.902 175.865 177.584 0.304 0.000 1.055 150 A CA -0.241 51.937 52.037 0.235 0.000 0.651 150 A CB 0.402 19.520 19.000 0.196 0.000 1.296 150 A HN 0.543 nan 8.150 nan 0.000 0.431 151 Y N -3.090 117.300 120.300 0.150 0.000 2.713 151 Y HA 0.894 5.444 4.550 -0.001 0.000 0.335 151 Y C -0.425 175.503 175.900 0.047 0.000 1.222 151 Y CA -0.775 57.386 58.100 0.101 0.000 1.061 151 Y CB 0.723 39.181 38.460 -0.004 0.000 1.314 151 Y HN 2.014 nan 8.280 nan 0.000 0.453 152 A N 0.302 123.184 122.820 0.104 0.000 2.609 152 A HA 0.797 5.117 4.320 -0.001 0.000 0.291 152 A C -2.546 174.896 177.584 -0.236 0.000 1.096 152 A CA -0.991 51.072 52.037 0.042 0.000 0.684 152 A CB 1.162 20.216 19.000 0.090 0.000 1.282 152 A HN 0.706 nan 8.150 nan 0.000 0.412 153 Y N -0.365 119.966 120.300 0.051 0.000 2.409 153 Y HA 0.543 5.093 4.550 -0.001 0.000 0.339 153 Y C 0.019 175.919 175.900 0.001 0.000 1.033 153 Y CA -0.140 57.961 58.100 0.003 0.000 1.094 153 Y CB 1.267 39.851 38.460 0.207 0.000 1.210 153 Y HN 0.658 nan 8.280 nan 0.000 0.456 154 Y N 2.878 123.285 120.300 0.178 0.000 2.385 154 Y HA 0.114 4.663 4.550 -0.001 0.000 0.346 154 Y C -1.778 174.035 175.900 -0.145 0.000 1.270 154 Y CA -1.977 56.121 58.100 -0.002 0.000 1.472 154 Y CB 0.030 38.472 38.460 -0.030 0.000 1.354 154 Y HN 0.358 nan 8.280 nan 0.000 0.611 155 P HA 0.164 nan 4.420 nan 0.000 0.268 155 P C -0.176 176.804 177.300 -0.533 0.000 1.208 155 P CA 0.396 62.812 63.100 -1.141 0.000 0.777 155 P CB 0.679 31.417 31.700 -1.603 0.000 0.875 156 G N 1.149 109.599 108.800 -0.582 0.000 2.317 156 G HA2 0.028 3.988 3.960 -0.001 0.000 0.293 156 G HA3 0.028 3.988 3.960 -0.001 0.000 0.293 156 G C -0.385 174.431 174.900 -0.139 0.000 1.287 156 G CA -0.528 44.479 45.100 -0.155 0.000 0.850 156 G HN 0.355 nan 8.290 nan 0.000 0.515 157 N N -0.401 118.312 118.700 0.021 0.000 2.280 157 N HA 0.145 4.885 4.740 -0.001 0.000 0.192 157 N C 0.238 175.757 175.510 0.015 0.000 1.109 157 N CA 0.141 53.204 53.050 0.023 0.000 0.855 157 N CB 0.311 38.833 38.487 0.059 0.000 0.974 157 N HN 0.602 nan 8.380 nan 0.000 0.482 158 Y N 0.271 120.579 120.300 0.013 0.000 2.326 158 Y HA 0.450 4.999 4.550 -0.001 0.000 0.324 158 Y C 0.812 176.708 175.900 -0.006 0.000 1.291 158 Y CA -1.446 56.653 58.100 -0.002 0.000 1.348 158 Y CB 0.165 38.617 38.460 -0.012 0.000 1.294 158 Y HN -0.239 nan 8.280 nan 0.000 0.525 159 Q N 1.330 121.190 119.800 0.100 0.000 2.247 159 Q HA 0.348 4.687 4.340 -0.001 0.000 0.288 159 Q C 0.845 176.821 176.000 -0.039 0.000 1.079 159 Q CA 1.640 57.446 55.803 0.005 0.000 0.932 159 Q CB 0.057 28.812 28.738 0.027 0.000 1.133 159 Q HN 1.156 nan 8.270 nan 0.000 0.377 160 G N 2.343 111.063 108.800 -0.134 0.000 2.194 160 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.236 160 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.236 160 G C 0.210 174.974 174.900 -0.227 0.000 0.987 160 G CA -0.134 44.868 45.100 -0.165 0.000 0.635 160 G HN 1.092 nan 8.290 nan 0.000 0.520 161 A N 0.160 122.643 122.820 -0.561 0.000 2.546 161 A HA 0.590 4.909 4.320 -0.001 0.000 0.243 161 A C 2.148 179.726 177.584 -0.011 0.000 1.063 161 A CA 2.166 53.845 52.037 -0.596 0.000 0.757 161 A CB -0.207 18.175 19.000 -1.029 0.000 0.991 161 A HN 2.419 nan 8.150 nan 0.000 0.503 162 G N 1.464 110.351 108.800 0.145 0.000 2.179 162 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.260 162 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.260 162 G C 0.600 175.541 174.900 0.069 0.000 0.977 162 G CA 0.958 46.239 45.100 0.302 0.000 0.641 162 G HN 2.215 nan 8.290 nan 0.000 0.533 163 S N 0.027 115.772 115.700 0.076 0.000 2.565 163 S HA 0.702 5.171 4.470 -0.001 0.000 0.276 163 S C 0.180 174.661 174.600 -0.198 0.000 1.326 163 S CA 0.668 58.797 58.200 -0.118 0.000 1.045 163 S CB 1.903 65.170 63.200 0.112 0.000 0.918 163 S HN 1.884 nan 8.310 nan 0.000 0.505 164 S N 1.811 117.060 115.700 -0.752 0.000 2.548 164 S HA 0.785 5.254 4.470 -0.001 0.000 0.286 164 S C -1.588 172.366 174.600 -1.077 0.000 1.098 164 S CA -0.968 56.827 58.200 -0.676 0.000 0.930 164 S CB 0.416 63.360 63.200 -0.427 0.000 1.070 164 S HN 0.860 nan 8.310 nan 0.000 0.480 165 W N 0.790 121.684 121.300 -0.677 0.000 3.129 165 W HA 0.653 5.313 4.660 -0.001 0.000 0.333 165 W C -1.764 174.377 176.519 -0.629 0.000 1.141 165 W CA -0.652 56.428 57.345 -0.441 0.000 1.224 165 W CB 1.510 30.624 29.460 -0.578 0.000 1.393 165 W HN 0.695 nan 8.180 nan 0.000 0.499 166 Y N 1.428 122.027 120.300 0.498 0.000 2.492 166 Y HA 0.285 4.835 4.550 -0.001 0.000 0.346 166 Y C 0.046 175.871 175.900 -0.124 0.000 0.997 166 Y CA -1.419 56.861 58.100 0.300 0.000 1.025 166 Y CB 1.588 40.291 38.460 0.404 0.000 1.263 166 Y HN 0.282 nan 8.280 nan 0.000 0.454 167 N N 1.695 120.289 118.700 -0.177 0.000 2.402 167 N HA -0.032 4.707 4.740 -0.001 0.000 0.252 167 N C 0.198 175.641 175.510 -0.112 0.000 1.118 167 N CA 0.167 52.887 53.050 -0.551 0.000 0.945 167 N CB 0.158 38.498 38.487 -0.245 0.000 1.147 167 N HN 0.748 nan 8.380 nan 0.000 0.495 168 Y N 3.578 123.753 120.300 -0.209 0.000 2.574 168 Y HA 0.050 4.599 4.550 -0.001 0.000 0.294 168 Y C 1.178 177.044 175.900 -0.058 0.000 1.142 168 Y CA 0.986 59.032 58.100 -0.090 0.000 1.314 168 Y CB 0.122 38.539 38.460 -0.070 0.000 0.991 168 Y HN 0.585 nan 8.280 nan 0.000 0.555 169 N N -0.095 118.617 118.700 0.020 0.000 2.461 169 N HA -0.054 4.686 4.740 -0.001 0.000 0.188 169 N C -0.180 175.319 175.510 -0.019 0.000 1.134 169 N CA 0.478 53.537 53.050 0.015 0.000 0.878 169 N CB 0.039 38.589 38.487 0.105 0.000 0.972 169 N HN 0.375 nan 8.380 nan 0.000 0.456 170 Q N 0.464 120.238 119.800 -0.044 0.000 2.274 170 Q HA 0.137 4.477 4.340 -0.001 0.000 0.256 170 Q C 1.161 177.091 176.000 -0.118 0.000 0.927 170 Q CA -0.107 55.673 55.803 -0.038 0.000 0.939 170 Q CB 1.574 30.316 28.738 0.006 0.000 1.201 170 Q HN 0.221 nan 8.270 nan 0.000 0.426 171 S N 2.576 118.212 115.700 -0.107 0.000 2.399 171 S HA -0.254 4.216 4.470 -0.001 0.000 0.231 171 S C 1.269 175.780 174.600 -0.149 0.000 1.022 171 S CA 1.681 59.794 58.200 -0.145 0.000 0.983 171 S CB -0.228 62.909 63.200 -0.105 0.000 0.803 171 S HN 0.778 nan 8.310 nan 0.000 0.480 172 N N 1.651 120.288 118.700 -0.104 0.000 2.309 172 N HA -0.051 4.689 4.740 -0.001 0.000 0.182 172 N C 1.597 176.979 175.510 -0.214 0.000 1.018 172 N CA 1.236 54.213 53.050 -0.122 0.000 0.876 172 N CB -0.410 38.055 38.487 -0.036 0.000 0.972 172 N HN 0.356 nan 8.380 nan 0.000 0.434 173 I N 0.737 121.197 120.570 -0.183 0.000 2.353 173 I HA -0.070 4.099 4.170 -0.001 0.000 0.248 173 I C 2.224 178.183 176.117 -0.264 0.000 1.119 173 I CA 0.993 62.175 61.300 -0.195 0.000 1.417 173 I CB -0.815 37.171 38.000 -0.023 0.000 1.078 173 I HN 0.284 nan 8.210 nan 0.000 0.421 174 R N 0.841 121.141 120.500 -0.334 0.000 2.153 174 R HA -0.007 4.332 4.340 -0.001 0.000 0.218 174 R C 0.214 176.350 176.300 -0.274 0.000 1.072 174 R CA 0.679 56.529 56.100 -0.417 0.000 0.990 174 R CB -0.025 29.926 30.300 -0.581 0.000 0.889 174 R HN 0.355 nan 8.270 nan 0.000 0.452 175 N N 0.654 119.209 118.700 -0.241 0.000 2.660 175 N HA 0.116 4.856 4.740 -0.001 0.000 0.316 175 N C -2.185 173.202 175.510 -0.206 0.000 1.774 175 N CA -1.087 51.850 53.050 -0.188 0.000 0.946 175 N CB 1.203 39.602 38.487 -0.147 0.000 1.322 175 N HN 0.101 nan 8.380 nan 0.000 0.492 176 P HA -0.013 nan 4.420 nan 0.000 0.229 176 P C 1.325 178.486 177.300 -0.232 0.000 1.160 176 P CA 0.720 63.594 63.100 -0.376 0.000 0.777 176 P CB 0.265 31.534 31.700 -0.719 0.000 0.814 177 G N 0.545 109.253 108.800 -0.154 0.000 2.572 177 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.216 177 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.216 177 G C 1.418 176.279 174.900 -0.064 0.000 1.133 177 G CA 0.854 45.900 45.100 -0.091 0.000 0.791 177 G HN 0.463 nan 8.290 nan 0.000 0.538 178 S N -1.185 114.472 115.700 -0.073 0.000 2.604 178 S HA 0.269 4.738 4.470 -0.001 0.000 0.235 178 S C 0.270 174.852 174.600 -0.031 0.000 1.043 178 S CA -0.392 57.783 58.200 -0.041 0.000 0.997 178 S CB 0.542 63.717 63.200 -0.043 0.000 0.956 178 S HN 0.274 nan 8.310 nan 0.000 0.535 179 E N 1.496 121.661 120.200 -0.058 0.000 2.207 179 E HA 0.292 4.641 4.350 -0.001 0.000 0.250 179 E C -0.367 176.213 176.600 -0.032 0.000 0.890 179 E CA -0.246 56.133 56.400 -0.034 0.000 0.749 179 E CB 1.328 30.990 29.700 -0.064 0.000 1.193 179 E HN 0.355 nan 8.360 nan 0.000 0.423 180 E N 1.177 121.417 120.200 0.066 0.000 2.209 180 E HA -0.240 4.109 4.350 -0.001 0.000 0.196 180 E C 1.162 177.772 176.600 0.017 0.000 0.993 180 E CA 1.030 57.490 56.400 0.099 0.000 0.819 180 E CB 0.014 29.880 29.700 0.276 0.000 0.745 180 E HN 0.513 nan 8.360 nan 0.000 0.477 181 Y N 0.901 121.051 120.300 -0.249 0.000 2.352 181 Y HA -0.061 4.489 4.550 -0.001 0.000 0.292 181 Y C 2.151 177.820 175.900 -0.384 0.000 1.136 181 Y CA 1.248 59.003 58.100 -0.575 0.000 1.227 181 Y CB -0.449 37.560 38.460 -0.751 0.000 0.991 181 Y HN -0.028 nan 8.280 nan 0.000 0.545 182 G N -0.141 108.445 108.800 -0.357 0.000 2.414 182 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.215 182 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.215 182 G C 1.743 176.152 174.900 -0.818 0.000 1.188 182 G CA 0.887 45.639 45.100 -0.581 0.000 0.783 182 G HN 0.313 nan 8.290 nan 0.000 0.537 183 R N 0.536 120.687 120.500 -0.581 0.000 2.091 183 R HA -0.078 4.261 4.340 -0.001 0.000 0.238 183 R C 2.516 178.654 176.300 -0.270 0.000 1.136 183 R CA 2.194 58.032 56.100 -0.437 0.000 0.959 183 R CB -0.818 29.356 30.300 -0.211 0.000 0.856 183 R HN 0.499 nan 8.270 nan 0.000 0.437 184 Q N -0.899 118.737 119.800 -0.274 0.000 2.124 184 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 184 Q C 1.425 177.312 176.000 -0.188 0.000 0.977 184 Q CA 2.208 57.880 55.803 -0.219 0.000 0.850 184 Q CB -0.080 28.505 28.738 -0.255 0.000 0.901 184 Q HN 0.421 nan 8.270 nan 0.000 0.429 185 T N 0.535 114.867 114.554 -0.368 0.000 2.777 185 T HA -0.103 4.247 4.350 -0.001 0.000 0.266 185 T C 1.238 176.142 174.700 0.339 0.000 1.040 185 T CA 1.029 63.033 62.100 -0.160 0.000 1.141 185 T CB -0.241 68.451 68.868 -0.293 0.000 0.868 185 T HN 0.244 nan 8.240 nan 0.000 0.444 186 F N 2.088 122.099 119.950 0.101 0.000 2.126 186 F HA -0.093 4.434 4.527 -0.001 0.000 0.299 186 F C 2.817 178.793 175.800 0.294 0.000 1.096 186 F CA 0.787 58.926 58.000 0.231 0.000 1.255 186 F CB -1.790 37.247 39.000 0.060 0.000 0.997 186 F HN 0.150 nan 8.300 nan 0.000 0.479 187 T N -1.674 113.116 114.554 0.394 0.000 2.746 187 T HA -0.244 4.105 4.350 -0.001 0.000 0.267 187 T C 1.788 176.807 174.700 0.533 0.000 1.039 187 T CA 1.796 64.130 62.100 0.391 0.000 1.142 187 T CB -0.600 68.307 68.868 0.066 0.000 0.866 187 T HN 0.395 nan 8.240 nan 0.000 0.444 188 H N 1.168 120.397 119.070 0.266 0.000 2.290 188 H HA 0.010 4.565 4.556 -0.001 0.000 0.298 188 H C 2.315 177.689 175.328 0.077 0.000 1.087 188 H CA 1.723 57.877 56.048 0.177 0.000 1.291 188 H CB -0.340 29.499 29.762 0.129 0.000 1.369 188 H HN 0.308 nan 8.280 nan 0.000 0.492 189 A N 0.622 123.703 122.820 0.434 0.000 1.902 189 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 189 A C 2.520 180.215 177.584 0.184 0.000 1.181 189 A CA 1.642 53.885 52.037 0.343 0.000 0.623 189 A CB -0.808 18.435 19.000 0.406 0.000 0.818 189 A HN 0.545 nan 8.150 nan 0.000 0.443 190 I N -0.162 120.545 120.570 0.229 0.000 2.286 190 I HA -0.221 3.949 4.170 -0.001 0.000 0.248 190 I C 2.680 178.703 176.117 -0.158 0.000 1.115 190 I CA 1.033 62.367 61.300 0.058 0.000 1.392 190 I CB -0.590 37.510 38.000 0.167 0.000 1.065 190 I HN 0.401 nan 8.210 nan 0.000 0.418 191 G N 0.248 108.936 108.800 -0.186 0.000 2.476 191 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 191 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 191 G C 1.496 176.256 174.900 -0.232 0.000 1.164 191 G CA 0.898 45.707 45.100 -0.485 0.000 0.768 191 G HN 0.357 nan 8.290 nan 0.000 0.560 192 H N 0.876 119.902 119.070 -0.073 0.000 2.352 192 H HA 0.005 4.560 4.556 -0.001 0.000 0.299 192 H C 2.908 178.271 175.328 0.059 0.000 1.097 192 H CA 1.168 57.217 56.048 0.001 0.000 1.311 192 H CB -0.772 28.940 29.762 -0.083 0.000 1.377 192 H HN 0.386 nan 8.280 nan 0.000 0.504 193 A N 0.588 123.496 122.820 0.148 0.000 2.178 193 A HA -0.039 4.281 4.320 -0.001 0.000 0.218 193 A C 2.366 180.085 177.584 0.224 0.000 1.157 193 A CA 0.768 52.898 52.037 0.155 0.000 0.689 193 A CB -0.591 18.453 19.000 0.073 0.000 0.787 193 A HN 0.316 nan 8.150 nan 0.000 0.465 194 L N -2.449 118.838 121.223 0.106 0.000 2.590 194 L HA 0.295 4.634 4.340 -0.001 0.000 0.227 194 L C 1.560 178.486 176.870 0.094 0.000 1.099 194 L CA 0.641 55.583 54.840 0.169 0.000 0.872 194 L CB 0.348 42.394 42.059 -0.021 0.000 1.088 194 L HN 0.519 nan 8.230 nan 0.000 0.479 195 G N 0.011 108.823 108.800 0.019 0.000 2.205 195 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.180 195 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.180 195 G C 0.027 174.866 174.900 -0.102 0.000 1.004 195 G CA -0.644 44.398 45.100 -0.097 0.000 0.670 195 G HN 0.076 nan 8.290 nan 0.000 0.496 196 L N 1.162 122.386 121.223 0.002 0.000 2.350 196 L HA 0.747 5.086 4.340 -0.001 0.000 0.275 196 L C 0.838 177.816 176.870 0.180 0.000 1.099 196 L CA -0.269 54.582 54.840 0.018 0.000 0.808 196 L CB 1.518 43.557 42.059 -0.034 0.000 1.149 196 L HN 0.287 nan 8.230 nan 0.000 0.442 197 A N 1.574 124.454 122.820 0.099 0.000 2.311 197 A HA 0.476 4.795 4.320 -0.001 0.000 0.334 197 A C -0.528 177.112 177.584 0.094 0.000 1.139 197 A CA -0.607 51.506 52.037 0.126 0.000 0.830 197 A CB 0.261 19.275 19.000 0.023 0.000 1.234 197 A HN 0.806 nan 8.150 nan 0.000 0.483 198 H N 0.847 119.964 119.070 0.078 0.000 3.115 198 H HA 0.011 4.567 4.556 -0.001 0.000 0.324 198 H C -1.584 173.659 175.328 -0.142 0.000 1.007 198 H CA -0.785 55.177 56.048 -0.145 0.000 1.385 198 H CB 0.313 29.741 29.762 -0.557 0.000 1.351 198 H HN 0.396 nan 8.280 nan 0.000 0.592 199 P HA -0.043 nan 4.420 nan 0.000 0.228 199 P C 0.375 177.781 177.300 0.177 0.000 1.151 199 P CA 1.018 64.274 63.100 0.259 0.000 0.770 199 P CB 0.560 32.485 31.700 0.376 0.000 0.786 200 G N -1.045 107.659 108.800 -0.160 0.000 2.605 200 G HA2 0.305 4.265 3.960 -0.001 0.000 0.296 200 G HA3 0.305 4.265 3.960 -0.001 0.000 0.296 200 G C -1.016 173.609 174.900 -0.457 0.000 1.304 200 G CA -0.400 44.613 45.100 -0.144 0.000 0.941 200 G HN -0.284 nan 8.290 nan 0.000 0.475 201 E N 0.926 121.067 120.200 -0.099 0.000 1.791 201 E HA 0.249 4.599 4.350 -0.001 0.000 0.263 201 E C -1.053 175.604 176.600 0.095 0.000 1.213 201 E CA 0.201 56.576 56.400 -0.043 0.000 0.991 201 E CB -0.079 29.643 29.700 0.036 0.000 1.068 201 E HN 0.463 nan 8.360 nan 0.000 0.417 202 Y N -0.406 119.996 120.300 0.169 0.000 2.638 202 Y HA 0.655 5.204 4.550 -0.001 0.000 0.335 202 Y C -0.554 175.474 175.900 0.215 0.000 1.155 202 Y CA -1.442 56.777 58.100 0.199 0.000 1.046 202 Y CB 1.501 40.134 38.460 0.289 0.000 1.303 202 Y HN 0.015 nan 8.280 nan 0.000 0.460 203 N N -0.240 118.774 118.700 0.522 0.000 3.043 203 N HA 0.579 5.318 4.740 -0.001 0.000 0.243 203 N C -1.760 174.026 175.510 0.461 0.000 1.347 203 N CA -0.221 53.135 53.050 0.511 0.000 0.896 203 N CB 2.547 41.202 38.487 0.280 0.000 1.501 203 N HN 1.174 nan 8.380 nan 0.000 0.504 204 A N 0.049 123.125 122.820 0.426 0.000 2.450 204 A HA 0.541 4.861 4.320 -0.001 0.000 0.255 204 A C 1.264 178.918 177.584 0.118 0.000 1.096 204 A CA 1.096 53.243 52.037 0.184 0.000 0.778 204 A CB -0.468 18.606 19.000 0.123 0.000 1.031 204 A HN 1.233 nan 8.150 nan 0.000 0.494 205 G N 1.719 110.564 108.800 0.076 0.000 2.254 205 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.225 205 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.225 205 G C 0.021 174.951 174.900 0.049 0.000 1.003 205 G CA 0.264 45.390 45.100 0.042 0.000 0.622 205 G HN 0.802 nan 8.290 nan 0.000 0.507 206 E N 1.377 121.629 120.200 0.087 0.000 2.001 206 E HA 0.471 4.820 4.350 -0.001 0.000 0.279 206 E C 1.197 177.857 176.600 0.101 0.000 1.045 206 E CA 0.099 56.552 56.400 0.089 0.000 0.833 206 E CB 0.784 30.551 29.700 0.113 0.000 1.077 206 E HN 1.219 nan 8.360 nan 0.000 0.397 207 G N 4.378 113.219 108.800 0.069 0.000 2.582 207 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.288 207 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.288 207 G C -0.354 174.588 174.900 0.070 0.000 1.247 207 G CA 0.327 45.465 45.100 0.064 0.000 0.972 207 G HN 0.742 nan 8.290 nan 0.000 0.557 208 D N 0.559 121.002 120.400 0.072 0.000 2.468 208 D HA 0.420 5.060 4.640 -0.001 0.000 0.272 208 D C -1.965 174.389 176.300 0.089 0.000 1.221 208 D CA -0.894 53.149 54.000 0.071 0.000 0.860 208 D CB 0.818 41.641 40.800 0.037 0.000 1.190 208 D HN 0.558 nan 8.370 nan 0.000 0.509 209 P HA 0.292 nan 4.420 nan 0.000 0.273 209 P C -0.090 177.274 177.300 0.108 0.000 1.250 209 P CA -0.135 63.083 63.100 0.196 0.000 0.793 209 P CB 1.100 33.033 31.700 0.389 0.000 1.011 210 S N -1.380 114.120 115.700 -0.334 0.000 2.643 210 S HA 0.152 4.621 4.470 -0.001 0.000 0.270 210 S C 0.482 174.044 174.600 -1.730 0.000 1.166 210 S CA -0.659 56.925 58.200 -1.026 0.000 0.815 210 S CB 0.437 63.360 63.200 -0.461 0.000 1.139 210 S HN 0.448 nan 8.310 nan 0.000 0.472 211 Y N 1.941 121.025 120.300 -2.026 0.000 2.315 211 Y HA -0.085 4.464 4.550 -0.001 0.000 0.288 211 Y C 1.782 177.226 175.900 -0.760 0.000 1.154 211 Y CA 2.209 59.337 58.100 -1.618 0.000 1.229 211 Y CB -0.472 37.411 38.460 -0.962 0.000 0.980 211 Y HN 0.696 nan 8.280 nan 0.000 0.540 212 N N 0.477 118.842 118.700 -0.559 0.000 2.364 212 N HA -0.168 4.572 4.740 -0.001 0.000 0.183 212 N C 0.806 176.099 175.510 -0.362 0.000 1.022 212 N CA 1.520 54.332 53.050 -0.396 0.000 0.883 212 N CB -0.304 38.044 38.487 -0.232 0.000 0.965 212 N HN 0.540 nan 8.380 nan 0.000 0.438 213 D N 0.528 120.717 120.400 -0.352 0.000 2.349 213 D HA 0.065 4.704 4.640 -0.001 0.000 0.224 213 D C 0.504 176.752 176.300 -0.086 0.000 1.029 213 D CA 0.031 53.943 54.000 -0.147 0.000 0.879 213 D CB 0.021 40.822 40.800 0.001 0.000 0.906 213 D HN 0.116 nan 8.370 nan 0.000 0.528 214 A N 0.686 123.335 122.820 -0.286 0.000 2.540 214 A HA 0.099 4.419 4.320 -0.001 0.000 0.239 214 A C 1.648 179.136 177.584 -0.161 0.000 1.061 214 A CA -0.234 51.702 52.037 -0.168 0.000 0.758 214 A CB 0.702 19.396 19.000 -0.510 0.000 0.991 214 A HN 0.002 nan 8.150 nan 0.000 0.502 215 V N 1.863 121.763 119.914 -0.024 0.000 2.548 215 V HA -0.051 4.068 4.120 -0.001 0.000 0.249 215 V C 0.653 176.684 176.094 -0.105 0.000 1.055 215 V CA 2.217 64.517 62.300 0.001 0.000 1.065 215 V CB -1.670 30.244 31.823 0.152 0.000 0.681 215 V HN 0.883 nan 8.190 nan 0.000 0.462 216 Y N -4.088 115.990 120.300 -0.370 0.000 2.588 216 Y HA 0.778 5.328 4.550 -0.001 0.000 0.343 216 Y C 0.814 176.537 175.900 -0.295 0.000 1.065 216 Y CA -0.643 57.133 58.100 -0.541 0.000 1.038 216 Y CB 1.245 38.957 38.460 -1.247 0.000 1.297 216 Y HN -0.200 nan 8.280 nan 0.000 0.467 217 A N 0.718 123.428 122.820 -0.183 0.000 1.972 217 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 217 A C 1.120 178.641 177.584 -0.104 0.000 1.169 217 A CA 1.730 53.713 52.037 -0.090 0.000 0.635 217 A CB -0.670 18.327 19.000 -0.005 0.000 0.810 217 A HN 0.835 nan 8.150 nan 0.000 0.446 218 E N 0.628 120.662 120.200 -0.278 0.000 2.359 218 E HA 0.064 4.414 4.350 -0.001 0.000 0.187 218 E C -0.345 176.073 176.600 -0.303 0.000 1.081 218 E CA -0.028 56.072 56.400 -0.500 0.000 0.929 218 E CB -0.068 29.064 29.700 -0.946 0.000 1.086 218 E HN 0.409 nan 8.360 nan 0.000 0.462 219 D N 1.397 121.530 120.400 -0.445 0.000 2.508 219 D HA 0.067 4.706 4.640 -0.001 0.000 0.224 219 D C -0.741 175.763 176.300 0.340 0.000 1.171 219 D CA -0.114 53.803 54.000 -0.139 0.000 1.006 219 D CB -0.285 40.378 40.800 -0.228 0.000 1.073 219 D HN 0.071 nan 8.370 nan 0.000 0.513 220 S N 1.697 117.606 115.700 0.349 0.000 2.615 220 S HA 0.225 4.695 4.470 -0.001 0.000 0.269 220 S C 0.723 175.531 174.600 0.346 0.000 1.161 220 S CA -0.839 57.525 58.200 0.273 0.000 0.817 220 S CB 0.189 63.481 63.200 0.153 0.000 1.131 220 S HN 0.283 nan 8.310 nan 0.000 0.467 221 Y N 0.572 121.007 120.300 0.225 0.000 2.483 221 Y HA -0.149 4.400 4.550 -0.001 0.000 0.291 221 Y C 2.764 178.789 175.900 0.208 0.000 1.143 221 Y CA 1.037 59.278 58.100 0.235 0.000 1.289 221 Y CB -0.019 38.581 38.460 0.233 0.000 0.983 221 Y HN 0.797 nan 8.280 nan 0.000 0.556 222 Q N 0.107 120.032 119.800 0.208 0.000 2.170 222 Q HA -0.186 4.154 4.340 -0.001 0.000 0.203 222 Q C 0.970 176.902 176.000 -0.113 0.000 0.976 222 Q CA 1.683 57.453 55.803 -0.055 0.000 0.858 222 Q CB -0.059 28.334 28.738 -0.576 0.000 0.907 222 Q HN 0.519 nan 8.270 nan 0.000 0.433 223 F N -1.397 118.725 119.950 0.287 0.000 2.637 223 F HA 0.295 4.821 4.527 -0.001 0.000 0.284 223 F C 0.539 176.532 175.800 0.321 0.000 1.105 223 F CA -0.238 57.964 58.000 0.337 0.000 1.356 223 F CB 1.171 40.350 39.000 0.298 0.000 1.096 223 F HN -0.168 nan 8.300 nan 0.000 0.616 224 S N 0.310 116.309 115.700 0.499 0.000 2.614 224 S HA 0.399 4.868 4.470 -0.001 0.000 0.275 224 S C 0.079 174.936 174.600 0.428 0.000 1.161 224 S CA -0.665 57.786 58.200 0.419 0.000 0.969 224 S CB 0.708 64.158 63.200 0.416 0.000 1.059 224 S HN 0.194 nan 8.310 nan 0.000 0.482 225 I N 3.557 124.326 120.570 0.332 0.000 3.646 225 I HA 0.291 4.461 4.170 -0.001 0.000 0.301 225 I C 0.980 177.346 176.117 0.415 0.000 1.276 225 I CA 0.535 62.032 61.300 0.329 0.000 1.254 225 I CB -0.470 37.612 38.000 0.137 0.000 1.020 225 I HN 0.560 nan 8.210 nan 0.000 0.473 226 I N -0.305 120.445 120.570 0.300 0.000 3.578 226 I HA 0.077 4.246 4.170 -0.001 0.000 0.295 226 I C 1.356 177.683 176.117 0.351 0.000 1.280 226 I CA 0.235 61.582 61.300 0.078 0.000 1.347 226 I CB -1.203 36.788 38.000 -0.015 0.000 1.051 226 I HN 0.307 nan 8.210 nan 0.000 0.460 227 S N 0.099 116.048 115.700 0.416 0.000 2.589 227 S HA 0.085 4.554 4.470 -0.001 0.000 0.265 227 S C 0.973 175.722 174.600 0.247 0.000 1.342 227 S CA -0.031 58.341 58.200 0.286 0.000 1.005 227 S CB 0.635 64.007 63.200 0.286 0.000 0.909 227 S HN 0.312 nan 8.310 nan 0.000 0.555 228 Y N 0.342 120.328 120.300 -0.522 0.000 2.500 228 Y HA 0.152 4.702 4.550 -0.001 0.000 0.270 228 Y C 0.014 175.366 175.900 -0.913 0.000 1.134 228 Y CA -0.721 56.840 58.100 -0.899 0.000 1.293 228 Y CB 0.415 37.747 38.460 -1.879 0.000 1.063 228 Y HN 0.595 nan 8.280 nan 0.000 0.534 229 W N 0.708 121.905 121.300 -0.172 0.000 2.469 229 W HA 0.527 5.186 4.660 -0.001 0.000 0.320 229 W C 0.507 176.552 176.519 -0.789 0.000 1.086 229 W CA -1.264 55.870 57.345 -0.351 0.000 1.211 229 W CB 0.648 30.051 29.460 -0.096 0.000 1.298 229 W HN -0.137 nan 8.180 nan 0.000 0.525 230 G N 1.760 110.343 108.800 -0.362 0.000 2.554 230 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.238 230 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.238 230 G C 0.990 175.724 174.900 -0.278 0.000 1.259 230 G CA -0.369 44.507 45.100 -0.373 0.000 0.843 230 G HN 0.701 nan 8.290 nan 0.000 0.582 231 E N 0.694 120.766 120.200 -0.213 0.000 2.338 231 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 231 E C 1.603 178.004 176.600 -0.331 0.000 1.007 231 E CA 1.290 57.498 56.400 -0.319 0.000 0.849 231 E CB -0.581 28.672 29.700 -0.745 0.000 0.774 231 E HN 0.774 nan 8.360 nan 0.000 0.506 232 N N 1.084 119.612 118.700 -0.286 0.000 2.364 232 N HA -0.165 4.574 4.740 -0.001 0.000 0.183 232 N C 1.514 176.871 175.510 -0.255 0.000 1.022 232 N CA 0.942 53.852 53.050 -0.234 0.000 0.883 232 N CB -0.067 38.309 38.487 -0.185 0.000 0.965 232 N HN 0.029 nan 8.380 nan 0.000 0.438 233 E N 0.169 120.157 120.200 -0.353 0.000 2.265 233 E HA -0.108 4.242 4.350 -0.001 0.000 0.196 233 E C 1.156 177.462 176.600 -0.490 0.000 0.996 233 E CA 1.528 57.569 56.400 -0.598 0.000 0.832 233 E CB -0.240 28.802 29.700 -1.098 0.000 0.756 233 E HN 0.753 nan 8.360 nan 0.000 0.491 234 T N -3.557 110.845 114.554 -0.254 0.000 3.134 234 T HA 0.440 4.790 4.350 -0.001 0.000 0.260 234 T C 1.247 175.968 174.700 0.036 0.000 1.027 234 T CA 0.321 62.393 62.100 -0.046 0.000 0.913 234 T CB 0.720 69.677 68.868 0.148 0.000 1.046 234 T HN 0.178 nan 8.240 nan 0.000 0.553 235 G N 0.878 109.647 108.800 -0.052 0.000 2.157 235 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.239 235 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.239 235 G C 0.317 175.220 174.900 0.006 0.000 0.982 235 G CA -0.180 44.919 45.100 -0.002 0.000 0.650 235 G HN 1.112 nan 8.290 nan 0.000 0.527 236 A N -0.587 122.164 122.820 -0.115 0.000 2.257 236 A HA 0.713 5.033 4.320 -0.001 0.000 0.289 236 A C -0.030 177.415 177.584 -0.233 0.000 1.095 236 A CA 0.432 52.364 52.037 -0.176 0.000 0.836 236 A CB 0.999 19.773 19.000 -0.376 0.000 1.111 236 A HN 0.615 nan 8.150 nan 0.000 0.497 237 D N -1.190 119.100 120.400 -0.182 0.000 2.591 237 D HA 0.314 4.953 4.640 -0.001 0.000 0.222 237 D C -1.508 174.851 176.300 0.098 0.000 1.360 237 D CA -0.238 53.688 54.000 -0.125 0.000 0.967 237 D CB 0.490 41.272 40.800 -0.031 0.000 1.456 237 D HN 0.280 nan 8.370 nan 0.000 0.588 238 Y N 2.349 122.626 120.300 -0.037 0.000 2.571 238 Y HA 0.245 4.794 4.550 -0.001 0.000 0.275 238 Y C 1.326 177.240 175.900 0.022 0.000 1.179 238 Y CA -0.863 57.225 58.100 -0.020 0.000 1.242 238 Y CB -0.759 37.687 38.460 -0.024 0.000 1.126 238 Y HN 0.468 nan 8.280 nan 0.000 0.524 239 N N 1.118 119.882 118.700 0.107 0.000 2.721 239 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 239 N C 1.168 176.648 175.510 -0.051 0.000 1.072 239 N CA 1.436 54.516 53.050 0.050 0.000 0.710 239 N CB -1.065 37.488 38.487 0.109 0.000 0.993 239 N HN 0.747 nan 8.380 nan 0.000 0.547 240 G N -2.321 106.404 108.800 -0.126 0.000 2.195 240 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.246 240 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.246 240 G C 0.049 174.693 174.900 -0.427 0.000 0.984 240 G CA 0.393 45.332 45.100 -0.269 0.000 0.633 240 G HN 0.705 nan 8.290 nan 0.000 0.525 241 H N -0.800 118.164 119.070 -0.177 0.000 2.508 241 H HA 0.567 5.122 4.556 -0.001 0.000 0.358 241 H C -0.506 174.609 175.328 -0.356 0.000 1.212 241 H CA 0.289 56.242 56.048 -0.158 0.000 1.356 241 H CB 0.749 30.486 29.762 -0.042 0.000 1.525 241 H HN 0.238 nan 8.280 nan 0.000 0.578 242 Y N -1.090 119.340 120.300 0.217 0.000 2.361 242 Y HA 0.208 4.757 4.550 -0.001 0.000 0.337 242 Y C 1.271 177.202 175.900 0.051 0.000 0.965 242 Y CA -0.574 57.605 58.100 0.132 0.000 1.091 242 Y CB 1.861 40.386 38.460 0.108 0.000 1.182 242 Y HN 0.824 nan 8.280 nan 0.000 0.450 243 G N 1.285 110.158 108.800 0.123 0.000 2.402 243 G HA2 0.149 4.108 3.960 -0.001 0.000 0.216 243 G HA3 0.149 4.108 3.960 -0.001 0.000 0.216 243 G C 1.501 176.370 174.900 -0.052 0.000 1.162 243 G CA 0.762 45.859 45.100 -0.006 0.000 0.777 243 G HN 1.270 nan 8.290 nan 0.000 0.539 244 G N -1.225 107.530 108.800 -0.076 0.000 2.253 244 G HA2 0.145 4.104 3.960 -0.001 0.000 0.251 244 G HA3 0.145 4.104 3.960 -0.001 0.000 0.251 244 G C 0.406 175.100 174.900 -0.343 0.000 0.998 244 G CA 1.041 46.047 45.100 -0.156 0.000 0.621 244 G HN 1.672 nan 8.290 nan 0.000 0.524 245 A N -0.215 122.310 122.820 -0.491 0.000 2.435 245 A HA 0.904 5.224 4.320 -0.001 0.000 0.296 245 A C -2.890 174.361 177.584 -0.555 0.000 1.147 245 A CA -1.341 50.218 52.037 -0.797 0.000 0.775 245 A CB 1.105 19.074 19.000 -1.718 0.000 1.340 245 A HN 0.076 nan 8.150 nan 0.000 0.427 246 P HA 0.155 nan 4.420 nan 0.000 0.265 246 P C -0.226 176.979 177.300 -0.159 0.000 1.193 246 P CA 0.413 63.219 63.100 -0.490 0.000 0.765 246 P CB 0.257 31.521 31.700 -0.726 0.000 0.823 247 M N 2.710 122.318 119.600 0.013 0.000 2.531 247 M HA 0.268 4.747 4.480 -0.001 0.000 0.262 247 M C 1.769 178.179 176.300 0.183 0.000 1.168 247 M CA -0.698 54.675 55.300 0.121 0.000 0.926 247 M CB -0.102 32.615 32.600 0.195 0.000 1.445 247 M HN 0.315 nan 8.290 nan 0.000 0.531 248 I N 0.905 121.605 120.570 0.218 0.000 2.286 248 I HA -0.291 3.879 4.170 -0.001 0.000 0.248 248 I C 1.251 177.535 176.117 0.278 0.000 1.115 248 I CA 1.817 63.254 61.300 0.228 0.000 1.392 248 I CB 0.001 38.113 38.000 0.186 0.000 1.065 248 I HN 0.555 nan 8.210 nan 0.000 0.418 249 D N 0.710 121.319 120.400 0.348 0.000 2.234 249 D HA -0.132 4.508 4.640 -0.001 0.000 0.205 249 D C 1.742 178.209 176.300 0.279 0.000 0.962 249 D CA 0.794 54.986 54.000 0.320 0.000 0.855 249 D CB -0.282 40.753 40.800 0.392 0.000 0.951 249 D HN 0.401 nan 8.370 nan 0.000 0.500 250 D N 0.537 121.115 120.400 0.296 0.000 2.117 250 D HA -0.095 4.545 4.640 -0.001 0.000 0.197 250 D C 2.270 178.763 176.300 0.323 0.000 0.987 250 D CA 0.510 54.712 54.000 0.335 0.000 0.829 250 D CB -0.081 40.916 40.800 0.329 0.000 0.961 250 D HN 0.282 nan 8.370 nan 0.000 0.460 251 I N 1.295 122.001 120.570 0.227 0.000 2.226 251 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 251 I C 2.545 178.739 176.117 0.129 0.000 1.100 251 I CA 0.972 62.368 61.300 0.159 0.000 1.374 251 I CB -0.203 37.877 38.000 0.134 0.000 1.057 251 I HN -0.084 nan 8.210 nan 0.000 0.413 252 A N 0.711 123.626 122.820 0.159 0.000 1.933 252 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 252 A C 2.533 180.182 177.584 0.108 0.000 1.175 252 A CA 1.799 53.913 52.037 0.128 0.000 0.628 252 A CB -0.770 18.309 19.000 0.131 0.000 0.814 252 A HN 0.430 nan 8.150 nan 0.000 0.444 253 A N -0.381 122.524 122.820 0.141 0.000 1.877 253 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 253 A C 2.101 179.753 177.584 0.115 0.000 1.186 253 A CA 1.707 53.815 52.037 0.118 0.000 0.620 253 A CB -0.557 18.530 19.000 0.146 0.000 0.822 253 A HN 0.579 nan 8.150 nan 0.000 0.443 254 I N -0.158 120.522 120.570 0.183 0.000 2.439 254 I HA -0.202 3.968 4.170 -0.001 0.000 0.251 254 I C 2.355 178.580 176.117 0.181 0.000 1.139 254 I CA 1.447 62.873 61.300 0.210 0.000 1.438 254 I CB -0.276 37.928 38.000 0.339 0.000 1.085 254 I HN 0.414 nan 8.210 nan 0.000 0.427 255 Q N -0.283 119.579 119.800 0.104 0.000 2.167 255 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 255 Q C 2.292 178.325 176.000 0.056 0.000 0.970 255 Q CA 1.220 57.052 55.803 0.048 0.000 0.855 255 Q CB -0.279 28.434 28.738 -0.042 0.000 0.911 255 Q HN 0.470 nan 8.270 nan 0.000 0.438 256 R N 0.861 121.392 120.500 0.051 0.000 2.091 256 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 256 R C 1.965 178.308 176.300 0.073 0.000 1.136 256 R CA 1.179 57.305 56.100 0.043 0.000 0.959 256 R CB -0.112 30.196 30.300 0.013 0.000 0.856 256 R HN 0.233 nan 8.270 nan 0.000 0.437 257 L N -1.204 120.001 121.223 -0.030 0.000 2.068 257 L HA -0.097 4.243 4.340 -0.001 0.000 0.204 257 L C 1.369 177.977 176.870 -0.436 0.000 1.076 257 L CA 1.233 55.885 54.840 -0.314 0.000 0.753 257 L CB -0.128 41.520 42.059 -0.685 0.000 0.910 257 L HN 0.266 nan 8.230 nan 0.000 0.439 258 Y N -0.853 119.475 120.300 0.046 0.000 2.500 258 Y HA 0.425 4.975 4.550 -0.001 0.000 0.246 258 Y C 1.058 176.973 175.900 0.024 0.000 1.146 258 Y CA 0.049 58.164 58.100 0.026 0.000 1.230 258 Y CB 0.849 39.316 38.460 0.011 0.000 1.214 258 Y HN 0.162 nan 8.280 nan 0.000 0.526 259 G N 1.113 109.994 108.800 0.135 0.000 2.712 259 G HA2 0.107 4.067 3.960 -0.001 0.000 0.686 259 G HA3 0.107 4.067 3.960 -0.001 0.000 0.686 259 G C -0.525 174.409 174.900 0.057 0.000 1.321 259 G CA -0.808 44.348 45.100 0.095 0.000 0.813 259 G HN 0.506 nan 8.290 nan 0.000 0.599 260 A N 0.772 123.609 122.820 0.029 0.000 2.322 260 A HA 0.692 5.011 4.320 -0.001 0.000 0.269 260 A C 0.596 178.222 177.584 0.071 0.000 1.094 260 A CA 0.007 52.005 52.037 -0.065 0.000 0.807 260 A CB 0.840 19.840 19.000 0.001 0.000 1.047 260 A HN 1.333 nan 8.150 nan 0.000 0.487 261 N N 2.328 121.071 118.700 0.072 0.000 2.500 261 N HA 0.189 4.928 4.740 -0.001 0.000 0.236 261 N C 0.160 175.942 175.510 0.453 0.000 1.022 261 N CA -0.358 52.826 53.050 0.223 0.000 0.935 261 N CB 0.555 39.155 38.487 0.189 0.000 1.147 261 N HN 0.479 nan 8.380 nan 0.000 0.512 262 M N 1.735 121.526 119.600 0.317 0.000 2.568 262 M HA 0.036 4.515 4.480 -0.001 0.000 0.226 262 M C 1.267 177.675 176.300 0.180 0.000 1.148 262 M CA 0.302 55.771 55.300 0.281 0.000 1.007 262 M CB -1.297 31.419 32.600 0.193 0.000 1.651 262 M HN 0.506 nan 8.290 nan 0.000 0.488 263 T N -3.388 111.279 114.554 0.187 0.000 3.069 263 T HA 0.124 4.474 4.350 -0.001 0.000 0.252 263 T C 0.634 175.414 174.700 0.134 0.000 1.053 263 T CA -0.066 62.111 62.100 0.128 0.000 0.964 263 T CB -0.166 68.765 68.868 0.105 0.000 1.005 263 T HN 0.114 nan 8.240 nan 0.000 0.532 264 T N 3.526 118.200 114.554 0.201 0.000 2.743 264 T HA 0.423 4.773 4.350 -0.001 0.000 0.293 264 T C 0.145 174.899 174.700 0.091 0.000 0.945 264 T CA -0.564 61.657 62.100 0.200 0.000 1.030 264 T CB 0.490 69.592 68.868 0.390 0.000 0.912 264 T HN 0.371 nan 8.240 nan 0.000 0.483 265 R N 1.150 121.687 120.500 0.062 0.000 3.333 265 R HA -0.173 4.166 4.340 -0.001 0.000 0.256 265 R C 1.222 177.502 176.300 -0.033 0.000 1.010 265 R CA 0.801 56.902 56.100 0.002 0.000 0.680 265 R CB -2.217 28.090 30.300 0.012 0.000 1.102 265 R HN 0.900 nan 8.270 nan 0.000 0.440 266 T N -3.590 110.951 114.554 -0.021 0.000 3.148 266 T HA 0.117 4.466 4.350 -0.001 0.000 0.253 266 T C 1.220 175.896 174.700 -0.040 0.000 1.134 266 T CA 0.414 62.492 62.100 -0.035 0.000 1.051 266 T CB 0.508 69.368 68.868 -0.013 0.000 0.959 266 T HN 0.465 nan 8.240 nan 0.000 0.525 267 G N 0.492 109.266 108.800 -0.043 0.000 2.510 267 G HA2 0.450 4.409 3.960 -0.001 0.000 0.280 267 G HA3 0.450 4.409 3.960 -0.001 0.000 0.280 267 G C -1.105 173.758 174.900 -0.062 0.000 1.386 267 G CA -0.765 44.306 45.100 -0.048 0.000 1.047 267 G HN 0.214 nan 8.290 nan 0.000 0.527 268 D N 0.297 120.659 120.400 -0.064 0.000 2.338 268 D HA 0.435 5.075 4.640 -0.001 0.000 0.255 268 D C -0.109 176.129 176.300 -0.105 0.000 1.237 268 D CA 0.438 54.396 54.000 -0.070 0.000 0.883 268 D CB 1.019 41.783 40.800 -0.060 0.000 1.087 268 D HN 0.107 nan 8.370 nan 0.000 0.485 269 S N 0.959 116.585 115.700 -0.124 0.000 2.472 269 S HA 0.595 5.065 4.470 -0.001 0.000 0.303 269 S C -0.208 174.199 174.600 -0.323 0.000 1.099 269 S CA -0.860 57.179 58.200 -0.267 0.000 1.077 269 S CB 1.835 64.851 63.200 -0.306 0.000 1.031 269 S HN 0.128 nan 8.310 nan 0.000 0.487 270 V N 3.373 123.020 119.914 -0.445 0.000 2.448 270 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 270 V C -1.415 174.356 176.094 -0.538 0.000 1.025 270 V CA -0.660 61.449 62.300 -0.319 0.000 0.859 270 V CB 0.756 32.482 31.823 -0.162 0.000 0.988 270 V HN 0.842 nan 8.190 nan 0.000 0.431 271 Y N 2.631 122.898 120.300 -0.055 0.000 2.377 271 Y HA 0.810 5.359 4.550 -0.001 0.000 0.339 271 Y C 0.915 176.840 175.900 0.043 0.000 1.011 271 Y CA 0.728 58.764 58.100 -0.106 0.000 1.093 271 Y CB 2.074 40.463 38.460 -0.118 0.000 1.201 271 Y HN 0.974 nan 8.280 nan 0.000 0.455 272 G N 1.609 110.536 108.800 0.210 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 -0.870 174.003 174.900 -0.045 0.000 1.215 272 G CA -0.929 44.332 45.100 0.269 0.000 1.003 272 G HN 0.390 nan 8.290 nan 0.000 0.584 273 F N 2.610 122.616 119.950 0.095 0.000 2.410 273 F HA 0.461 4.987 4.527 -0.001 0.000 0.334 273 F C 1.627 177.411 175.800 -0.027 0.000 1.134 273 F CA 0.791 58.787 58.000 -0.006 0.000 1.227 273 F CB 0.568 39.540 39.000 -0.047 0.000 1.194 273 F HN 0.543 nan 8.300 nan 0.000 0.571 274 N N -0.038 118.740 118.700 0.130 0.000 2.725 274 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 274 N C -0.191 175.301 175.510 -0.029 0.000 1.103 274 N CA 0.713 53.787 53.050 0.040 0.000 0.707 274 N CB -1.356 37.156 38.487 0.042 0.000 1.043 274 N HN 0.446 nan 8.380 nan 0.000 0.553 275 S N 0.885 116.548 115.700 -0.061 0.000 2.576 275 S HA 0.231 4.700 4.470 -0.001 0.000 0.276 275 S C 1.170 175.679 174.600 -0.152 0.000 1.339 275 S CA -0.230 57.886 58.200 -0.140 0.000 1.039 275 S CB 0.495 63.599 63.200 -0.160 0.000 0.902 275 S HN 0.440 nan 8.310 nan 0.000 0.516 276 N N 1.512 120.085 118.700 -0.211 0.000 2.282 276 N HA 0.044 4.783 4.740 -0.001 0.000 0.240 276 N C 0.770 176.162 175.510 -0.198 0.000 1.182 276 N CA 0.168 53.114 53.050 -0.174 0.000 0.874 276 N CB -0.223 38.173 38.487 -0.150 0.000 1.126 276 N HN 0.571 nan 8.380 nan 0.000 0.516 277 T N -4.138 110.271 114.554 -0.242 0.000 3.067 277 T HA -0.025 4.325 4.350 -0.001 0.000 0.261 277 T C 0.493 175.121 174.700 -0.120 0.000 1.110 277 T CA 0.465 62.439 62.100 -0.209 0.000 1.113 277 T CB -0.378 68.359 68.868 -0.218 0.000 0.917 277 T HN 0.165 nan 8.240 nan 0.000 0.499 278 D N 1.160 121.489 120.400 -0.119 0.000 2.751 278 D HA -0.154 4.485 4.640 -0.001 0.000 0.233 278 D C -0.811 175.416 176.300 -0.122 0.000 1.149 278 D CA 0.482 54.426 54.000 -0.094 0.000 0.682 278 D CB -0.748 40.018 40.800 -0.057 0.000 1.068 278 D HN 0.403 nan 8.370 nan 0.000 0.429 279 R N 0.279 120.657 120.500 -0.203 0.000 2.476 279 R HA 0.215 4.555 4.340 -0.001 0.000 0.305 279 R C 1.050 177.082 176.300 -0.445 0.000 0.965 279 R CA -0.180 55.673 56.100 -0.412 0.000 0.867 279 R CB 1.459 31.279 30.300 -0.801 0.000 1.176 279 R HN 0.105 nan 8.270 nan 0.000 0.447 280 D N 2.690 122.914 120.400 -0.293 0.000 2.149 280 D HA -0.209 4.430 4.640 -0.001 0.000 0.198 280 D C 1.344 177.550 176.300 -0.157 0.000 0.990 280 D CA 1.451 55.358 54.000 -0.155 0.000 0.839 280 D CB -0.345 40.434 40.800 -0.035 0.000 0.948 280 D HN 0.588 nan 8.370 nan 0.000 0.460 281 F N -1.612 118.237 119.950 -0.169 0.000 2.748 281 F HA 0.222 4.748 4.527 -0.001 0.000 0.299 281 F C 1.403 177.099 175.800 -0.174 0.000 1.154 281 F CA -0.265 57.626 58.000 -0.183 0.000 1.446 281 F CB -0.934 37.910 39.000 -0.259 0.000 1.112 281 F HN -0.101 nan 8.300 nan 0.000 0.584 282 Y N 0.384 120.406 120.300 -0.463 0.000 2.485 282 Y HA 0.288 4.838 4.550 -0.001 0.000 0.260 282 Y C 0.192 175.945 175.900 -0.245 0.000 1.173 282 Y CA -0.567 57.264 58.100 -0.449 0.000 1.252 282 Y CB 0.453 38.618 38.460 -0.491 0.000 1.123 282 Y HN -0.112 nan 8.280 nan 0.000 0.524 283 T N 1.232 115.749 114.554 -0.061 0.000 2.812 283 T HA 0.664 5.013 4.350 -0.001 0.000 0.282 283 T C -0.515 174.092 174.700 -0.155 0.000 0.990 283 T CA -0.623 61.411 62.100 -0.109 0.000 0.960 283 T CB 1.447 70.240 68.868 -0.126 0.000 0.948 283 T HN 0.151 nan 8.240 nan 0.000 0.438 284 A N 2.065 124.693 122.820 -0.320 0.000 2.287 284 A HA 0.610 4.930 4.320 -0.001 0.000 0.317 284 A C 1.187 178.490 177.584 -0.470 0.000 1.220 284 A CA -0.673 51.048 52.037 -0.526 0.000 0.835 284 A CB 0.609 18.947 19.000 -1.102 0.000 1.180 284 A HN 0.882 nan 8.150 nan 0.000 0.500 285 T N -1.369 113.058 114.554 -0.211 0.000 3.037 285 T HA 0.308 4.657 4.350 -0.001 0.000 0.251 285 T C 0.193 174.929 174.700 0.059 0.000 1.079 285 T CA 0.908 62.974 62.100 -0.057 0.000 1.067 285 T CB -0.483 68.365 68.868 -0.032 0.000 0.948 285 T HN 0.811 nan 8.240 nan 0.000 0.496 286 D N -0.287 120.163 120.400 0.084 0.000 2.665 286 D HA 0.312 4.951 4.640 -0.001 0.000 0.287 286 D C 0.872 177.334 176.300 0.270 0.000 1.266 286 D CA -0.162 53.969 54.000 0.218 0.000 0.830 286 D CB 0.721 41.586 40.800 0.108 0.000 1.356 286 D HN -0.049 nan 8.370 nan 0.000 0.437 287 S N -0.773 115.075 115.700 0.248 0.000 2.507 287 S HA -0.126 4.344 4.470 -0.001 0.000 0.235 287 S C 1.530 176.310 174.600 0.301 0.000 0.988 287 S CA 1.140 59.498 58.200 0.263 0.000 0.944 287 S CB -0.834 62.453 63.200 0.145 0.000 0.762 287 S HN 0.649 nan 8.310 nan 0.000 0.526 288 S N 0.385 116.199 115.700 0.190 0.000 2.558 288 S HA 0.225 4.694 4.470 -0.001 0.000 0.217 288 S C 0.462 175.139 174.600 0.127 0.000 0.975 288 S CA -0.392 57.900 58.200 0.153 0.000 0.912 288 S CB -0.224 63.038 63.200 0.103 0.000 0.776 288 S HN 0.211 nan 8.310 nan 0.000 0.526 289 K N 2.660 123.129 120.400 0.115 0.000 2.276 289 K HA 0.590 4.909 4.320 -0.001 0.000 0.283 289 K C -0.049 176.564 176.600 0.022 0.000 1.044 289 K CA -0.032 56.266 56.287 0.019 0.000 0.944 289 K CB 0.985 33.453 32.500 -0.053 0.000 1.012 289 K HN 0.308 nan 8.250 nan 0.000 0.472 290 A N 4.123 126.831 122.820 -0.185 0.000 2.354 290 A HA 0.504 4.823 4.320 -0.001 0.000 0.269 290 A C -0.275 177.193 177.584 -0.193 0.000 1.109 290 A CA -0.545 51.311 52.037 -0.301 0.000 0.800 290 A CB 0.224 18.738 19.000 -0.809 0.000 1.045 290 A HN 0.658 nan 8.150 nan 0.000 0.489 291 L N 2.570 123.694 121.223 -0.164 0.000 2.333 291 L HA 0.571 4.911 4.340 -0.001 0.000 0.280 291 L C -0.898 175.821 176.870 -0.251 0.000 1.004 291 L CA -0.153 54.635 54.840 -0.086 0.000 0.820 291 L CB 1.530 43.579 42.059 -0.017 0.000 1.247 291 L HN 0.597 nan 8.230 nan 0.000 0.416 292 I N 4.774 125.249 120.570 -0.158 0.000 2.497 292 I HA 0.456 4.625 4.170 -0.001 0.000 0.284 292 I C -1.015 175.085 176.117 -0.028 0.000 1.060 292 I CA -0.407 60.691 61.300 -0.337 0.000 1.071 292 I CB 1.318 39.040 38.000 -0.463 0.000 1.216 292 I HN 0.414 nan 8.210 nan 0.000 0.442 293 F N 3.066 122.967 119.950 -0.081 0.000 2.719 293 F HA 0.683 5.209 4.527 -0.001 0.000 0.309 293 F C -1.101 174.740 175.800 0.068 0.000 1.138 293 F CA -1.104 56.925 58.000 0.048 0.000 0.943 293 F CB 1.527 40.694 39.000 0.277 0.000 1.304 293 F HN 0.164 nan 8.300 nan 0.000 0.445 294 S N 1.696 117.650 115.700 0.423 0.000 2.498 294 S HA 0.627 5.096 4.470 -0.001 0.000 0.317 294 S C -1.405 173.530 174.600 0.558 0.000 1.090 294 S CA -0.634 57.771 58.200 0.343 0.000 1.089 294 S CB 1.227 64.533 63.200 0.176 0.000 0.997 294 S HN 1.063 nan 8.310 nan 0.000 0.470 295 V N 7.770 128.006 119.914 0.536 0.000 2.498 295 V HA 0.501 4.620 4.120 -0.001 0.000 0.279 295 V C -0.540 175.737 176.094 0.305 0.000 1.048 295 V CA -0.575 61.922 62.300 0.328 0.000 0.967 295 V CB 0.874 32.611 31.823 -0.143 0.000 0.988 295 V HN 0.915 nan 8.190 nan 0.000 0.473 296 W N 7.595 128.995 121.300 0.167 0.000 2.529 296 W HA 0.579 5.238 4.660 -0.001 0.000 0.321 296 W C -1.320 175.253 176.519 0.090 0.000 1.047 296 W CA -0.638 56.786 57.345 0.131 0.000 1.216 296 W CB 1.687 31.263 29.460 0.194 0.000 1.357 296 W HN 0.684 nan 8.180 nan 0.000 0.489 297 D N 3.585 123.443 120.400 -0.904 0.000 2.937 297 D HA 0.338 4.978 4.640 -0.001 0.000 0.215 297 D C -0.684 175.132 176.300 -0.807 0.000 1.274 297 D CA -0.221 53.429 54.000 -0.584 0.000 0.869 297 D CB 2.258 42.899 40.800 -0.264 0.000 1.675 297 D HN 0.428 nan 8.370 nan 0.000 0.538 298 A N 1.936 124.441 122.820 -0.526 0.000 2.430 298 A HA 0.661 4.980 4.320 -0.001 0.000 0.243 298 A C 0.738 178.207 177.584 -0.192 0.000 1.254 298 A CA 0.651 52.460 52.037 -0.380 0.000 0.914 298 A CB 0.215 19.143 19.000 -0.119 0.000 0.998 298 A HN 0.679 nan 8.150 nan 0.000 0.515 299 G N -2.803 105.894 108.800 -0.170 0.000 2.338 299 G HA2 0.607 4.567 3.960 -0.001 0.000 0.295 299 G HA3 0.607 4.567 3.960 -0.001 0.000 0.295 299 G C -0.037 174.811 174.900 -0.086 0.000 1.461 299 G CA 0.234 45.271 45.100 -0.106 0.000 0.817 299 G HN 1.972 nan 8.290 nan 0.000 0.556 300 G N -1.495 107.264 108.800 -0.068 0.000 2.710 300 G HA2 0.365 4.324 3.960 -0.001 0.000 0.668 300 G HA3 0.365 4.324 3.960 -0.001 0.000 0.668 300 G C -0.288 174.576 174.900 -0.060 0.000 1.320 300 G CA 0.117 45.182 45.100 -0.058 0.000 0.860 300 G HN 1.558 nan 8.290 nan 0.000 0.538 301 T N 2.447 116.970 114.554 -0.052 0.000 2.743 301 T HA 0.581 4.930 4.350 -0.001 0.000 0.292 301 T C -0.539 174.133 174.700 -0.046 0.000 0.972 301 T CA -0.355 61.716 62.100 -0.049 0.000 0.967 301 T CB 0.915 69.759 68.868 -0.040 0.000 0.926 301 T HN 0.539 nan 8.240 nan 0.000 0.459 302 D N 2.201 122.573 120.400 -0.046 0.000 2.350 302 D HA 0.553 5.192 4.640 -0.001 0.000 0.238 302 D C -0.411 175.879 176.300 -0.016 0.000 0.989 302 D CA -0.446 53.548 54.000 -0.010 0.000 0.921 302 D CB 2.153 42.976 40.800 0.039 0.000 1.297 302 D HN 0.300 nan 8.370 nan 0.000 0.490 303 T N 0.684 115.266 114.554 0.047 0.000 2.886 303 T HA 0.341 4.691 4.350 -0.001 0.000 0.292 303 T C -0.353 174.470 174.700 0.206 0.000 1.012 303 T CA -0.541 61.585 62.100 0.043 0.000 0.982 303 T CB 0.899 69.771 68.868 0.007 0.000 1.018 303 T HN 0.162 nan 8.240 nan 0.000 0.451 304 F N 2.783 122.652 119.950 -0.135 0.000 2.375 304 F HA 0.202 4.729 4.527 -0.001 0.000 0.362 304 F C 0.653 176.077 175.800 -0.626 0.000 1.129 304 F CA -0.861 56.854 58.000 -0.475 0.000 1.154 304 F CB 0.648 39.276 39.000 -0.620 0.000 1.205 304 F HN 0.448 nan 8.300 nan 0.000 0.513 305 D N 5.402 125.648 120.400 -0.257 0.000 2.456 305 D HA 0.130 4.769 4.640 -0.001 0.000 0.219 305 D C -0.413 175.988 176.300 0.169 0.000 1.126 305 D CA -0.294 53.671 54.000 -0.058 0.000 0.890 305 D CB 0.310 41.153 40.800 0.071 0.000 1.025 305 D HN 0.202 nan 8.370 nan 0.000 0.511 306 F N 1.597 121.741 119.950 0.324 0.000 2.923 306 F HA 0.106 4.632 4.527 -0.001 0.000 0.314 306 F C 2.125 178.036 175.800 0.186 0.000 1.196 306 F CA -0.623 57.622 58.000 0.409 0.000 1.320 306 F CB -0.305 38.939 39.000 0.406 0.000 0.953 306 F HN 0.270 nan 8.300 nan 0.000 0.505 307 S N -1.246 114.514 115.700 0.101 0.000 2.489 307 S HA -0.009 4.461 4.470 -0.001 0.000 0.228 307 S C 2.121 176.452 174.600 -0.450 0.000 0.995 307 S CA 0.876 58.996 58.200 -0.133 0.000 0.934 307 S CB -0.421 62.701 63.200 -0.130 0.000 0.771 307 S HN 0.372 nan 8.310 nan 0.000 0.522 308 G N -0.479 107.568 108.800 -1.254 0.000 2.920 308 G HA2 0.233 4.193 3.960 -0.001 0.000 0.208 308 G HA3 0.233 4.193 3.960 -0.001 0.000 0.208 308 G C 0.001 174.490 174.900 -0.684 0.000 1.159 308 G CA -0.296 43.908 45.100 -1.492 0.000 0.784 308 G HN 0.553 nan 8.290 nan 0.000 0.535 309 Y N 0.159 120.354 120.300 -0.175 0.000 2.376 309 Y HA 0.338 4.888 4.550 -0.001 0.000 0.325 309 Y C 1.513 177.405 175.900 -0.014 0.000 1.199 309 Y CA -0.502 57.603 58.100 0.010 0.000 1.206 309 Y CB 2.068 40.589 38.460 0.101 0.000 1.229 309 Y HN 0.077 nan 8.280 nan 0.000 0.480 310 S N -0.984 114.829 115.700 0.189 0.000 2.523 310 S HA 0.126 4.596 4.470 -0.001 0.000 0.217 310 S C -0.009 174.629 174.600 0.064 0.000 0.996 310 S CA -0.543 57.710 58.200 0.090 0.000 0.921 310 S CB -0.234 63.000 63.200 0.057 0.000 0.829 310 S HN 0.613 nan 8.310 nan 0.000 0.495 311 N N 3.212 121.948 118.700 0.061 0.000 2.453 311 N HA 0.115 4.855 4.740 -0.001 0.000 0.253 311 N C -0.913 174.591 175.510 -0.009 0.000 1.252 311 N CA -0.067 52.980 53.050 -0.005 0.000 0.917 311 N CB 0.155 38.598 38.487 -0.074 0.000 1.117 311 N HN 0.228 nan 8.380 nan 0.000 0.442 312 N N 1.958 120.638 118.700 -0.033 0.000 2.452 312 N HA 0.039 4.778 4.740 -0.001 0.000 0.266 312 N C -0.148 175.320 175.510 -0.071 0.000 1.175 312 N CA 0.332 53.355 53.050 -0.045 0.000 0.945 312 N CB 0.661 39.111 38.487 -0.061 0.000 1.063 312 N HN 0.424 nan 8.380 nan 0.000 0.472 313 Q N 1.687 121.455 119.800 -0.053 0.000 2.351 313 Q HA 0.561 4.901 4.340 -0.001 0.000 0.273 313 Q C -0.370 175.551 176.000 -0.130 0.000 1.077 313 Q CA -0.800 54.962 55.803 -0.068 0.000 0.843 313 Q CB 2.456 31.212 28.738 0.029 0.000 1.367 313 Q HN 0.296 nan 8.270 nan 0.000 0.449 314 R N 1.390 121.767 120.500 -0.205 0.000 2.451 314 R HA 0.547 4.887 4.340 -0.001 0.000 0.307 314 R C -1.023 175.259 176.300 -0.030 0.000 0.965 314 R CA -0.385 55.418 56.100 -0.494 0.000 0.865 314 R CB 1.156 30.689 30.300 -1.278 0.000 1.174 314 R HN 0.528 nan 8.270 nan 0.000 0.455 315 I N 2.374 123.110 120.570 0.276 0.000 2.418 315 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 315 I C -0.542 175.969 176.117 0.657 0.000 1.008 315 I CA -0.838 60.796 61.300 0.558 0.000 1.104 315 I CB 1.876 40.192 38.000 0.528 0.000 1.264 315 I HN 0.393 nan 8.210 nan 0.000 0.438 316 N N 6.608 125.661 118.700 0.590 0.000 2.372 316 N HA 0.423 5.163 4.740 -0.001 0.000 0.285 316 N C -0.032 175.604 175.510 0.211 0.000 1.008 316 N CA -0.473 52.750 53.050 0.289 0.000 0.880 316 N CB 2.063 40.512 38.487 -0.064 0.000 1.239 316 N HN 0.595 nan 8.380 nan 0.000 0.484 317 L N 1.505 122.792 121.223 0.107 0.000 2.592 317 L HA 0.222 4.561 4.340 -0.001 0.000 0.227 317 L C 0.425 177.274 176.870 -0.035 0.000 1.127 317 L CA -0.045 54.774 54.840 -0.035 0.000 0.884 317 L CB -0.225 41.791 42.059 -0.073 0.000 1.065 317 L HN 0.387 nan 8.230 nan 0.000 0.457 318 N N 2.291 120.997 118.700 0.011 0.000 2.513 318 N HA 0.014 4.753 4.740 -0.001 0.000 0.268 318 N C 0.041 175.559 175.510 0.013 0.000 1.180 318 N CA 0.064 53.121 53.050 0.011 0.000 0.948 318 N CB 0.869 39.368 38.487 0.020 0.000 1.083 318 N HN 0.314 nan 8.380 nan 0.000 0.455 319 E N 0.421 120.629 120.200 0.014 0.000 2.442 319 E HA 0.145 4.494 4.350 -0.001 0.000 0.262 319 E C 0.850 177.501 176.600 0.085 0.000 1.004 319 E CA 0.085 56.509 56.400 0.040 0.000 0.928 319 E CB 0.227 29.947 29.700 0.034 0.000 0.937 319 E HN 0.731 nan 8.360 nan 0.000 0.446 320 G N 2.524 111.380 108.800 0.093 0.000 2.199 320 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.254 320 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.254 320 G C 0.268 175.202 174.900 0.056 0.000 0.982 320 G CA 0.393 45.560 45.100 0.112 0.000 0.632 320 G HN 1.137 nan 8.290 nan 0.000 0.529 321 S N -0.420 115.290 115.700 0.015 0.000 2.687 321 S HA 0.828 5.298 4.470 -0.001 0.000 0.283 321 S C -0.290 174.276 174.600 -0.057 0.000 1.170 321 S CA -0.788 57.443 58.200 0.051 0.000 1.008 321 S CB 1.813 65.029 63.200 0.027 0.000 1.026 321 S HN 0.397 nan 8.310 nan 0.000 0.541 322 F N 0.618 120.634 119.950 0.110 0.000 2.470 322 F HA 0.636 5.162 4.527 -0.001 0.000 0.329 322 F C 0.807 176.834 175.800 0.379 0.000 1.072 322 F CA -0.317 57.774 58.000 0.150 0.000 0.989 322 F CB 2.296 41.283 39.000 -0.022 0.000 1.193 322 F HN 0.623 nan 8.300 nan 0.000 0.481 323 S N 0.401 116.421 115.700 0.533 0.000 2.638 323 S HA 0.455 4.924 4.470 -0.001 0.000 0.302 323 S C -1.691 173.143 174.600 0.390 0.000 1.096 323 S CA -0.920 57.616 58.200 0.561 0.000 0.953 323 S CB 1.659 65.099 63.200 0.399 0.000 1.107 323 S HN 0.372 nan 8.310 nan 0.000 0.503 324 D N 1.885 122.432 120.400 0.244 0.000 2.441 324 D HA 0.484 5.123 4.640 -0.001 0.000 0.231 324 D C -1.062 175.180 176.300 -0.097 0.000 1.073 324 D CA -0.061 53.982 54.000 0.073 0.000 0.850 324 D CB 1.578 42.384 40.800 0.010 0.000 1.062 324 D HN 0.111 nan 8.370 nan 0.000 0.524 325 V N 0.733 120.503 119.914 -0.239 0.000 2.604 325 V HA 0.587 4.706 4.120 -0.001 0.000 0.305 325 V C 1.055 176.788 176.094 -0.601 0.000 1.043 325 V CA -0.583 61.442 62.300 -0.457 0.000 0.888 325 V CB 1.804 33.149 31.823 -0.797 0.000 0.995 325 V HN 0.814 nan 8.190 nan 0.000 0.429 326 G N 3.279 111.563 108.800 -0.859 0.000 2.249 326 G HA2 0.042 4.002 3.960 -0.001 0.000 0.273 326 G HA3 0.042 4.002 3.960 -0.001 0.000 0.273 326 G C 1.200 175.708 174.900 -0.653 0.000 1.036 326 G CA 0.915 45.112 45.100 -1.505 0.000 0.824 326 G HN 2.352 nan 8.290 nan 0.000 0.504 327 G N -2.716 105.866 108.800 -0.363 0.000 2.225 327 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.254 327 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.254 327 G C 0.403 175.227 174.900 -0.128 0.000 0.988 327 G CA 0.836 45.822 45.100 -0.189 0.000 0.625 327 G HN 1.290 nan 8.290 nan 0.000 0.527 328 L N 0.186 121.316 121.223 -0.154 0.000 2.431 328 L HA 0.693 5.032 4.340 -0.001 0.000 0.260 328 L C 0.731 177.609 176.870 0.013 0.000 1.098 328 L CA -0.267 54.550 54.840 -0.038 0.000 0.800 328 L CB 0.826 42.861 42.059 -0.041 0.000 1.210 328 L HN 0.099 nan 8.230 nan 0.000 0.465 329 K N 0.023 120.494 120.400 0.118 0.000 2.292 329 K HA 0.535 4.855 4.320 -0.001 0.000 0.257 329 K C 0.275 177.030 176.600 0.257 0.000 0.940 329 K CA -0.124 56.268 56.287 0.176 0.000 0.811 329 K CB 1.540 34.133 32.500 0.155 0.000 1.120 329 K HN 0.750 nan 8.250 nan 0.000 0.428 330 G N 2.494 111.479 108.800 0.309 0.000 2.198 330 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 330 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 330 G C 0.398 175.492 174.900 0.324 0.000 1.025 330 G CA 0.675 45.905 45.100 0.216 0.000 0.769 330 G HN 0.825 nan 8.290 nan 0.000 0.507 331 N N -1.047 117.749 118.700 0.160 0.000 2.373 331 N HA 0.142 4.882 4.740 -0.001 0.000 0.181 331 N C 0.399 175.690 175.510 -0.365 0.000 1.082 331 N CA 0.679 53.584 53.050 -0.242 0.000 0.885 331 N CB 0.650 38.865 38.487 -0.453 0.000 0.977 331 N HN 0.398 nan 8.380 nan 0.000 0.462 332 V N 1.242 120.987 119.914 -0.281 0.000 2.604 332 V HA 0.548 4.668 4.120 -0.001 0.000 0.305 332 V C -0.307 175.613 176.094 -0.291 0.000 1.043 332 V CA -0.645 61.332 62.300 -0.538 0.000 0.888 332 V CB 1.759 33.137 31.823 -0.742 0.000 0.995 332 V HN 0.487 nan 8.190 nan 0.000 0.429 333 S N 4.787 120.281 115.700 -0.344 0.000 2.697 333 S HA 0.802 5.271 4.470 -0.001 0.000 0.289 333 S C -1.099 173.475 174.600 -0.043 0.000 1.149 333 S CA -0.850 57.095 58.200 -0.425 0.000 0.850 333 S CB 2.050 64.565 63.200 -1.141 0.000 1.151 333 S HN 0.438 nan 8.310 nan 0.000 0.491 334 I N 1.476 122.030 120.570 -0.027 0.000 2.418 334 I HA 0.578 4.747 4.170 -0.001 0.000 0.287 334 I C 0.535 176.706 176.117 0.089 0.000 1.008 334 I CA -0.910 60.449 61.300 0.099 0.000 1.104 334 I CB 1.656 39.696 38.000 0.067 0.000 1.264 334 I HN 0.964 nan 8.210 nan 0.000 0.438 335 A N 5.792 128.721 122.820 0.182 0.000 2.466 335 A HA 0.071 4.390 4.320 -0.001 0.000 0.238 335 A C 0.207 177.954 177.584 0.272 0.000 1.074 335 A CA -0.031 52.167 52.037 0.269 0.000 0.774 335 A CB 0.035 19.303 19.000 0.447 0.000 1.015 335 A HN 0.837 nan 8.150 nan 0.000 0.498 336 H N 0.217 119.411 119.070 0.206 0.000 3.001 336 H HA 0.245 4.801 4.556 -0.001 0.000 0.334 336 H C 1.354 176.843 175.328 0.268 0.000 1.034 336 H CA 1.667 57.826 56.048 0.185 0.000 1.420 336 H CB 0.354 30.210 29.762 0.156 0.000 1.405 336 H HN 1.330 nan 8.280 nan 0.000 0.593 337 G N 3.608 112.190 108.800 -0.363 0.000 2.159 337 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.227 337 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.227 337 G C -0.402 174.421 174.900 -0.128 0.000 0.986 337 G CA 0.151 45.142 45.100 -0.181 0.000 0.651 337 G HN 0.627 nan 8.290 nan 0.000 0.523 338 V N 0.897 120.737 119.914 -0.125 0.000 2.555 338 V HA 0.744 4.863 4.120 -0.001 0.000 0.302 338 V C 0.106 176.103 176.094 -0.162 0.000 1.038 338 V CA -0.249 61.922 62.300 -0.215 0.000 0.887 338 V CB 2.038 33.754 31.823 -0.178 0.000 0.991 338 V HN 0.242 nan 8.190 nan 0.000 0.434 339 T N 6.008 120.453 114.554 -0.181 0.000 2.809 339 T HA 0.554 4.903 4.350 -0.001 0.000 0.296 339 T C -0.448 174.144 174.700 -0.179 0.000 1.015 339 T CA -0.254 61.756 62.100 -0.149 0.000 0.954 339 T CB 0.538 69.338 68.868 -0.114 0.000 0.950 339 T HN 0.260 nan 8.240 nan 0.000 0.450 340 I N 3.426 123.861 120.570 -0.226 0.000 2.359 340 I HA 0.383 4.552 4.170 -0.001 0.000 0.294 340 I C 0.906 176.885 176.117 -0.231 0.000 0.987 340 I CA -0.622 60.498 61.300 -0.300 0.000 1.225 340 I CB 1.738 39.371 38.000 -0.612 0.000 1.366 340 I HN 0.638 nan 8.210 nan 0.000 0.466 341 E N 3.156 123.256 120.200 -0.168 0.000 2.290 341 E HA 0.118 4.468 4.350 -0.001 0.000 0.197 341 E C -0.288 176.268 176.600 -0.074 0.000 0.948 341 E CA 0.625 56.965 56.400 -0.099 0.000 0.895 341 E CB 0.372 30.032 29.700 -0.066 0.000 0.865 341 E HN 0.514 nan 8.360 nan 0.000 0.486 342 N N -0.339 118.311 118.700 -0.084 0.000 2.312 342 N HA 0.692 5.432 4.740 -0.001 0.000 0.296 342 N C -1.305 174.189 175.510 -0.026 0.000 1.193 342 N CA -0.578 52.456 53.050 -0.026 0.000 0.773 342 N CB 2.127 40.609 38.487 -0.007 0.000 1.435 342 N HN 0.021 nan 8.380 nan 0.000 0.484 343 A N 0.710 123.552 122.820 0.038 0.000 2.549 343 A HA 0.762 5.082 4.320 -0.001 0.000 0.297 343 A C -1.302 176.333 177.584 0.085 0.000 1.061 343 A CA -0.565 51.513 52.037 0.068 0.000 0.690 343 A CB 1.015 20.102 19.000 0.145 0.000 1.287 343 A HN 0.565 nan 8.150 nan 0.000 0.402 344 I N 2.251 122.859 120.570 0.064 0.000 2.439 344 I HA 0.476 4.646 4.170 -0.001 0.000 0.285 344 I C 0.906 177.115 176.117 0.152 0.000 1.021 344 I CA -0.589 60.762 61.300 0.086 0.000 1.091 344 I CB 1.905 39.930 38.000 0.041 0.000 1.242 344 I HN 0.803 nan 8.210 nan 0.000 0.439 345 G N 3.615 112.515 108.800 0.168 0.000 2.588 345 G HA2 0.580 4.540 3.960 -0.001 0.000 0.278 345 G HA3 0.580 4.540 3.960 -0.001 0.000 0.278 345 G C 0.229 175.219 174.900 0.151 0.000 1.307 345 G CA -0.020 45.200 45.100 0.200 0.000 1.016 345 G HN 0.699 nan 8.290 nan 0.000 0.503 346 G N -1.570 107.321 108.800 0.151 0.000 2.890 346 G HA2 0.403 4.363 3.960 -0.001 0.000 0.189 346 G HA3 0.403 4.363 3.960 -0.001 0.000 0.189 346 G C 1.217 176.149 174.900 0.053 0.000 1.342 346 G CA 0.761 45.911 45.100 0.084 0.000 1.026 346 G HN 1.121 nan 8.290 nan 0.000 0.579 347 S N -0.911 114.810 115.700 0.034 0.000 2.593 347 S HA 0.292 4.761 4.470 -0.001 0.000 0.217 347 S C 1.226 175.840 174.600 0.023 0.000 0.966 347 S CA 0.379 58.591 58.200 0.019 0.000 0.914 347 S CB -0.167 63.036 63.200 0.004 0.000 0.776 347 S HN 0.822 nan 8.310 nan 0.000 0.523 348 G N 1.431 110.253 108.800 0.036 0.000 2.588 348 G HA2 0.365 4.325 3.960 -0.001 0.000 0.278 348 G HA3 0.365 4.325 3.960 -0.001 0.000 0.278 348 G C -0.495 174.411 174.900 0.009 0.000 1.307 348 G CA -0.860 44.252 45.100 0.019 0.000 1.016 348 G HN 0.351 nan 8.290 nan 0.000 0.503 349 N N 1.547 120.241 118.700 -0.009 0.000 2.469 349 N HA 0.252 4.991 4.740 -0.001 0.000 0.239 349 N C -0.933 174.557 175.510 -0.033 0.000 1.053 349 N CA -0.112 52.926 53.050 -0.021 0.000 0.937 349 N CB 1.338 39.808 38.487 -0.028 0.000 1.163 349 N HN 0.359 nan 8.380 nan 0.000 0.509 350 D N 1.236 121.624 120.400 -0.021 0.000 2.340 350 D HA 0.504 5.144 4.640 -0.001 0.000 0.243 350 D C 0.339 176.614 176.300 -0.041 0.000 0.988 350 D CA -0.325 53.661 54.000 -0.024 0.000 0.959 350 D CB 2.082 42.904 40.800 0.038 0.000 1.226 350 D HN 0.245 nan 8.370 nan 0.000 0.509 351 I N 1.111 121.635 120.570 -0.076 0.000 2.436 351 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 351 I C -1.046 175.106 176.117 0.059 0.000 1.010 351 I CA -0.747 60.523 61.300 -0.049 0.000 1.098 351 I CB 1.541 39.436 38.000 -0.175 0.000 1.266 351 I HN -0.046 nan 8.210 nan 0.000 0.434 352 L N 7.472 128.783 121.223 0.148 0.000 2.349 352 L HA 0.507 4.846 4.340 -0.001 0.000 0.278 352 L C -0.513 176.527 176.870 0.282 0.000 0.996 352 L CA -0.473 54.507 54.840 0.232 0.000 0.825 352 L CB 1.857 44.036 42.059 0.199 0.000 1.243 352 L HN 0.233 nan 8.230 nan 0.000 0.412 353 V N 3.147 123.270 119.914 0.347 0.000 2.378 353 V HA 0.709 4.828 4.120 -0.001 0.000 0.288 353 V C 0.709 176.964 176.094 0.269 0.000 1.016 353 V CA -0.540 61.975 62.300 0.359 0.000 0.840 353 V CB 1.341 33.361 31.823 0.327 0.000 0.994 353 V HN 0.822 nan 8.190 nan 0.000 0.431 354 G N 4.180 113.120 108.800 0.233 0.000 2.563 354 G HA2 0.483 4.442 3.960 -0.001 0.000 0.283 354 G HA3 0.483 4.442 3.960 -0.001 0.000 0.283 354 G C -0.232 174.732 174.900 0.107 0.000 1.309 354 G CA -0.425 44.745 45.100 0.118 0.000 1.022 354 G HN 0.796 nan 8.290 nan 0.000 0.501 355 N N -3.133 115.595 118.700 0.047 0.000 3.184 355 N HA 0.293 5.033 4.740 -0.001 0.000 0.353 355 N C 1.003 176.527 175.510 0.024 0.000 1.441 355 N CA 0.078 53.154 53.050 0.042 0.000 0.723 355 N CB 0.612 39.105 38.487 0.010 0.000 1.547 355 N HN 0.382 nan 8.380 nan 0.000 0.624 356 S N -2.185 113.528 115.700 0.022 0.000 2.607 356 S HA 0.296 4.766 4.470 -0.001 0.000 0.224 356 S C 0.882 175.482 174.600 0.000 0.000 0.969 356 S CA -0.184 58.027 58.200 0.017 0.000 0.927 356 S CB -0.882 62.334 63.200 0.026 0.000 0.772 356 S HN 0.819 nan 8.310 nan 0.000 0.533 357 A N 1.601 124.414 122.820 -0.010 0.000 2.280 357 A HA 0.444 4.764 4.320 -0.001 0.000 0.268 357 A C -0.273 177.300 177.584 -0.017 0.000 1.111 357 A CA -0.550 51.475 52.037 -0.019 0.000 0.814 357 A CB 0.003 18.983 19.000 -0.033 0.000 1.093 357 A HN 0.318 nan 8.150 nan 0.000 0.498 358 D N 1.190 121.579 120.400 -0.019 0.000 2.336 358 D HA 0.285 4.925 4.640 -0.001 0.000 0.249 358 D C -0.571 175.729 176.300 -0.001 0.000 1.213 358 D CA 0.632 54.625 54.000 -0.012 0.000 0.870 358 D CB 0.121 40.911 40.800 -0.017 0.000 1.076 358 D HN 0.483 nan 8.370 nan 0.000 0.483 359 N N 1.508 120.216 118.700 0.013 0.000 2.370 359 N HA 0.508 5.247 4.740 -0.001 0.000 0.303 359 N C -0.412 175.137 175.510 0.065 0.000 1.103 359 N CA -0.672 52.393 53.050 0.026 0.000 0.848 359 N CB 2.043 40.548 38.487 0.030 0.000 1.235 359 N HN 0.236 nan 8.380 nan 0.000 0.496 360 I N 2.435 123.051 120.570 0.077 0.000 2.330 360 I HA 0.306 4.475 4.170 -0.001 0.000 0.289 360 I C -0.804 175.405 176.117 0.154 0.000 1.001 360 I CA -0.522 60.863 61.300 0.141 0.000 1.193 360 I CB 0.799 38.881 38.000 0.137 0.000 1.345 360 I HN 0.276 nan 8.210 nan 0.000 0.461 361 L N 6.829 128.178 121.223 0.211 0.000 2.341 361 L HA 0.520 4.859 4.340 -0.001 0.000 0.278 361 L C -0.561 176.481 176.870 0.285 0.000 1.005 361 L CA -0.598 54.368 54.840 0.211 0.000 0.818 361 L CB 1.709 43.889 42.059 0.202 0.000 1.259 361 L HN 0.549 nan 8.230 nan 0.000 0.418 362 Q N 1.376 121.309 119.800 0.221 0.000 2.320 362 Q HA 0.270 4.609 4.340 -0.001 0.000 0.268 362 Q C 0.768 176.871 176.000 0.171 0.000 1.023 362 Q CA -0.366 55.570 55.803 0.221 0.000 0.744 362 Q CB 2.278 31.079 28.738 0.105 0.000 1.246 362 Q HN 0.899 nan 8.270 nan 0.000 0.462 363 G N 1.876 110.782 108.800 0.177 0.000 2.448 363 G HA2 0.201 4.160 3.960 -0.001 0.000 0.218 363 G HA3 0.201 4.160 3.960 -0.001 0.000 0.218 363 G C 0.727 175.680 174.900 0.090 0.000 1.135 363 G CA 0.587 45.757 45.100 0.116 0.000 0.784 363 G HN 0.921 nan 8.290 nan 0.000 0.543 364 G N -0.616 108.237 108.800 0.087 0.000 2.698 364 G HA2 0.280 4.239 3.960 -0.001 0.000 0.233 364 G HA3 0.280 4.239 3.960 -0.001 0.000 0.233 364 G C 0.425 175.351 174.900 0.043 0.000 1.352 364 G CA -0.044 45.088 45.100 0.053 0.000 0.879 364 G HN 1.373 nan 8.290 nan 0.000 0.567 365 A N -0.777 122.058 122.820 0.025 0.000 2.310 365 A HA 0.959 5.278 4.320 -0.001 0.000 0.260 365 A C 1.746 179.339 177.584 0.014 0.000 1.112 365 A CA 1.842 53.889 52.037 0.017 0.000 0.804 365 A CB -0.023 18.982 19.000 0.007 0.000 1.081 365 A HN 3.057 nan 8.150 nan 0.000 0.499 366 G N -0.410 108.394 108.800 0.006 0.000 2.746 366 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.685 366 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.685 366 G C -0.828 174.066 174.900 -0.010 0.000 1.350 366 G CA -0.318 44.782 45.100 -0.001 0.000 0.837 366 G HN 1.009 nan 8.290 nan 0.000 0.564 367 N N 2.029 120.718 118.700 -0.020 0.000 2.527 367 N HA 0.390 5.129 4.740 -0.001 0.000 0.236 367 N C -0.814 174.670 175.510 -0.044 0.000 0.999 367 N CA -0.279 52.750 53.050 -0.034 0.000 0.935 367 N CB 1.116 39.586 38.487 -0.029 0.000 1.132 367 N HN 0.531 nan 8.380 nan 0.000 0.511 368 D N 0.475 120.837 120.400 -0.063 0.000 2.228 368 D HA 0.371 5.011 4.640 -0.001 0.000 0.247 368 D C -0.145 176.093 176.300 -0.103 0.000 0.995 368 D CA -0.419 53.544 54.000 -0.060 0.000 0.903 368 D CB 2.674 43.453 40.800 -0.036 0.000 1.205 368 D HN -0.017 nan 8.370 nan 0.000 0.459 369 V N 2.225 122.101 119.914 -0.062 0.000 2.384 369 V HA 0.295 4.415 4.120 -0.001 0.000 0.287 369 V C -0.443 175.653 176.094 0.004 0.000 1.020 369 V CA -0.643 61.628 62.300 -0.049 0.000 0.850 369 V CB 1.320 33.138 31.823 -0.008 0.000 0.987 369 V HN 0.284 nan 8.190 nan 0.000 0.436 370 L N 5.345 126.562 121.223 -0.010 0.000 2.329 370 L HA 0.568 4.907 4.340 -0.001 0.000 0.279 370 L C -0.879 176.111 176.870 0.200 0.000 1.014 370 L CA -0.467 54.441 54.840 0.114 0.000 0.814 370 L CB 1.550 43.699 42.059 0.150 0.000 1.257 370 L HN 0.664 nan 8.230 nan 0.000 0.424 371 Y N 1.257 121.596 120.300 0.066 0.000 2.333 371 Y HA 0.529 5.078 4.550 -0.001 0.000 0.324 371 Y C 0.811 176.729 175.900 0.030 0.000 1.033 371 Y CA -0.610 57.500 58.100 0.016 0.000 1.224 371 Y CB 1.906 40.398 38.460 0.053 0.000 1.120 371 Y HN 0.640 nan 8.280 nan 0.000 0.457 372 G N 3.003 111.585 108.800 -0.364 0.000 2.464 372 G HA2 0.325 4.285 3.960 -0.001 0.000 0.217 372 G HA3 0.325 4.285 3.960 -0.001 0.000 0.217 372 G C 0.826 175.511 174.900 -0.358 0.000 1.138 372 G CA 0.576 45.537 45.100 -0.230 0.000 0.793 372 G HN 1.472 nan 8.290 nan 0.000 0.539 373 G N -0.371 107.933 108.800 -0.826 0.000 2.598 373 G HA2 0.258 4.217 3.960 -0.001 0.000 0.244 373 G HA3 0.258 4.217 3.960 -0.001 0.000 0.244 373 G C 0.500 175.302 174.900 -0.163 0.000 1.302 373 G CA 0.072 44.867 45.100 -0.508 0.000 0.903 373 G HN 1.415 nan 8.290 nan 0.000 0.575 374 A N -0.567 122.236 122.820 -0.028 0.000 2.366 374 A HA 0.832 5.151 4.320 -0.001 0.000 0.250 374 A C 1.832 179.413 177.584 -0.005 0.000 1.099 374 A CA 2.061 54.107 52.037 0.015 0.000 0.794 374 A CB -0.236 18.791 19.000 0.044 0.000 1.056 374 A HN 3.024 nan 8.150 nan 0.000 0.499 375 G N -1.939 106.861 108.800 -0.001 0.000 2.781 375 G HA2 0.414 4.374 3.960 -0.001 0.000 0.683 375 G HA3 0.414 4.374 3.960 -0.001 0.000 0.683 375 G C 0.019 174.898 174.900 -0.034 0.000 1.390 375 G CA -0.147 44.942 45.100 -0.019 0.000 0.850 375 G HN 2.283 nan 8.290 nan 0.000 0.557 376 A N 1.248 124.034 122.820 -0.056 0.000 2.506 376 A HA 0.597 4.917 4.320 -0.001 0.000 0.320 376 A C 0.219 177.789 177.584 -0.025 0.000 1.424 376 A CA -0.126 51.860 52.037 -0.086 0.000 1.044 376 A CB 0.076 18.978 19.000 -0.163 0.000 1.140 376 A HN 0.588 nan 8.150 nan 0.000 0.538 377 D N 1.288 121.693 120.400 0.010 0.000 2.277 377 D HA 0.480 5.120 4.640 -0.001 0.000 0.250 377 D C -0.367 175.991 176.300 0.097 0.000 1.032 377 D CA 0.242 54.271 54.000 0.049 0.000 0.947 377 D CB 1.657 42.480 40.800 0.039 0.000 1.159 377 D HN 0.339 nan 8.370 nan 0.000 0.460 378 T N 1.258 115.880 114.554 0.113 0.000 2.809 378 T HA 0.485 4.835 4.350 -0.001 0.000 0.284 378 T C -0.104 174.645 174.700 0.082 0.000 0.992 378 T CA -0.590 61.576 62.100 0.110 0.000 0.957 378 T CB 0.719 69.662 68.868 0.126 0.000 0.942 378 T HN 0.090 nan 8.240 nan 0.000 0.439 379 L N 3.523 124.726 121.223 -0.034 0.000 2.362 379 L HA 0.589 4.929 4.340 -0.001 0.000 0.275 379 L C -1.324 175.494 176.870 -0.087 0.000 0.998 379 L CA -1.111 53.787 54.840 0.097 0.000 0.820 379 L CB 1.489 43.692 42.059 0.239 0.000 1.270 379 L HN 0.639 nan 8.230 nan 0.000 0.415 380 Y N 0.696 121.176 120.300 0.301 0.000 2.338 380 Y HA 0.326 4.876 4.550 -0.001 0.000 0.328 380 Y C 1.102 177.218 175.900 0.359 0.000 0.965 380 Y CA -0.609 57.659 58.100 0.280 0.000 1.208 380 Y CB 2.032 40.586 38.460 0.157 0.000 1.132 380 Y HN 0.716 nan 8.280 nan 0.000 0.469 381 G N 1.803 110.968 108.800 0.609 0.000 2.422 381 G HA2 0.298 4.257 3.960 -0.001 0.000 0.218 381 G HA3 0.298 4.257 3.960 -0.001 0.000 0.218 381 G C 0.846 175.868 174.900 0.205 0.000 1.140 381 G CA 0.596 45.898 45.100 0.337 0.000 0.775 381 G HN 1.159 nan 8.290 nan 0.000 0.545 382 G N -0.916 108.026 108.800 0.236 0.000 2.725 382 G HA2 0.335 4.294 3.960 -0.001 0.000 0.220 382 G HA3 0.335 4.294 3.960 -0.001 0.000 0.220 382 G C 0.292 175.249 174.900 0.096 0.000 1.357 382 G CA -0.184 45.003 45.100 0.145 0.000 0.866 382 G HN 1.412 nan 8.290 nan 0.000 0.548 383 A N -0.497 122.359 122.820 0.059 0.000 2.492 383 A HA 0.851 5.170 4.320 -0.001 0.000 0.236 383 A C 1.734 179.330 177.584 0.019 0.000 1.078 383 A CA 2.217 54.274 52.037 0.033 0.000 0.773 383 A CB -0.131 18.881 19.000 0.021 0.000 1.023 383 A HN 3.023 nan 8.150 nan 0.000 0.504 384 G N 0.246 109.049 108.800 0.003 0.000 2.541 384 G HA2 0.019 3.978 3.960 -0.001 0.000 0.686 384 G HA3 0.019 3.978 3.960 -0.001 0.000 0.686 384 G C -0.619 174.265 174.900 -0.026 0.000 1.286 384 G CA -0.532 44.561 45.100 -0.010 0.000 0.894 384 G HN 0.963 nan 8.290 nan 0.000 0.575 385 R N 1.209 121.688 120.500 -0.035 0.000 2.296 385 R HA 0.359 4.699 4.340 -0.001 0.000 0.327 385 R C -0.741 175.517 176.300 -0.070 0.000 1.137 385 R CA -0.630 55.441 56.100 -0.047 0.000 1.020 385 R CB 0.590 30.871 30.300 -0.032 0.000 1.110 385 R HN 0.468 nan 8.270 nan 0.000 0.499 386 D N 1.357 121.690 120.400 -0.112 0.000 2.268 386 D HA 0.299 4.938 4.640 -0.001 0.000 0.249 386 D C -0.170 175.952 176.300 -0.296 0.000 1.008 386 D CA -0.149 53.708 54.000 -0.239 0.000 0.939 386 D CB 2.227 42.831 40.800 -0.325 0.000 1.170 386 D HN 0.219 nan 8.370 nan 0.000 0.468 387 T N 1.072 115.395 114.554 -0.385 0.000 2.879 387 T HA 0.396 4.745 4.350 -0.001 0.000 0.290 387 T C -0.627 173.899 174.700 -0.290 0.000 0.993 387 T CA -0.530 61.460 62.100 -0.183 0.000 0.975 387 T CB 0.397 69.260 68.868 -0.008 0.000 0.981 387 T HN 0.080 nan 8.240 nan 0.000 0.439 388 F N 2.249 122.361 119.950 0.269 0.000 2.385 388 F HA 0.556 5.083 4.527 -0.001 0.000 0.360 388 F C 0.207 176.144 175.800 0.228 0.000 1.122 388 F CA -0.975 57.170 58.000 0.242 0.000 1.090 388 F CB 1.060 40.266 39.000 0.343 0.000 1.150 388 F HN 0.173 nan 8.300 nan 0.000 0.472 389 V N 4.115 124.151 119.914 0.204 0.000 2.483 389 V HA 0.355 4.474 4.120 -0.001 0.000 0.295 389 V C -0.883 175.195 176.094 -0.027 0.000 1.035 389 V CA -1.018 61.438 62.300 0.261 0.000 0.896 389 V CB 1.420 33.462 31.823 0.365 0.000 0.986 389 V HN 0.503 nan 8.190 nan 0.000 0.447 390 Y N 1.864 122.451 120.300 0.478 0.000 2.350 390 Y HA 0.589 5.139 4.550 -0.001 0.000 0.338 390 Y C 1.008 177.133 175.900 0.375 0.000 0.961 390 Y CA -0.464 57.917 58.100 0.467 0.000 1.100 390 Y CB 2.257 41.074 38.460 0.594 0.000 1.179 390 Y HN 0.669 nan 8.280 nan 0.000 0.454 391 G N 0.592 109.672 108.800 0.467 0.000 2.921 391 G HA2 0.223 4.182 3.960 -0.001 0.000 0.213 391 G HA3 0.223 4.182 3.960 -0.001 0.000 0.213 391 G C 0.006 174.834 174.900 -0.120 0.000 1.143 391 G CA 0.309 45.558 45.100 0.249 0.000 0.764 391 G HN 0.474 nan 8.290 nan 0.000 0.542 392 S N -2.102 113.574 115.700 -0.041 0.000 2.547 392 S HA 0.489 4.958 4.470 -0.001 0.000 0.270 392 S C 1.158 175.931 174.600 0.289 0.000 1.150 392 S CA 0.458 58.613 58.200 -0.076 0.000 0.850 392 S CB 1.000 64.269 63.200 0.115 0.000 1.118 392 S HN 0.318 nan 8.310 nan 0.000 0.461 393 G N 1.536 110.550 108.800 0.356 0.000 2.470 393 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.220 393 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.220 393 G C 0.899 176.095 174.900 0.495 0.000 1.121 393 G CA 0.598 46.036 45.100 0.564 0.000 0.766 393 G HN 0.647 nan 8.290 nan 0.000 0.553 394 Q N 0.594 120.591 119.800 0.329 0.000 2.472 394 Q HA 0.001 4.340 4.340 -0.001 0.000 0.208 394 Q C 1.435 177.566 176.000 0.218 0.000 0.958 394 Q CA 0.535 56.481 55.803 0.239 0.000 0.932 394 Q CB 0.040 28.884 28.738 0.177 0.000 1.007 394 Q HN 0.398 nan 8.270 nan 0.000 0.508 395 D N -0.292 120.297 120.400 0.315 0.000 2.224 395 D HA -0.029 4.610 4.640 -0.001 0.000 0.205 395 D C 0.252 176.654 176.300 0.170 0.000 0.965 395 D CA 0.693 54.843 54.000 0.249 0.000 0.852 395 D CB 0.302 41.340 40.800 0.398 0.000 0.947 395 D HN -0.062 nan 8.370 nan 0.000 0.494 396 S N 0.155 115.890 115.700 0.058 0.000 2.605 396 S HA 0.136 4.606 4.470 -0.001 0.000 0.142 396 S C -0.292 174.088 174.600 -0.368 0.000 1.452 396 S CA -0.601 57.422 58.200 -0.295 0.000 1.240 396 S CB -0.298 62.494 63.200 -0.681 0.000 1.538 396 S HN 0.187 nan 8.310 nan 0.000 0.394 397 T N -0.283 114.220 114.554 -0.086 0.000 2.856 397 T HA 0.305 4.655 4.350 -0.001 0.000 0.306 397 T C 1.725 176.408 174.700 -0.027 0.000 1.062 397 T CA -0.451 61.642 62.100 -0.012 0.000 1.083 397 T CB 0.816 69.721 68.868 0.061 0.000 0.984 397 T HN 0.133 nan 8.240 nan 0.000 0.542 398 V N 2.063 121.998 119.914 0.035 0.000 2.392 398 V HA -0.151 3.968 4.120 -0.001 0.000 0.249 398 V C 3.033 179.210 176.094 0.138 0.000 1.059 398 V CA 2.286 64.638 62.300 0.087 0.000 1.051 398 V CB -1.593 30.317 31.823 0.146 0.000 0.658 398 V HN 1.093 nan 8.190 nan 0.000 0.455 399 A N -0.845 122.020 122.820 0.075 0.000 2.172 399 A HA 0.387 4.707 4.320 -0.001 0.000 0.216 399 A C 1.450 179.013 177.584 -0.035 0.000 1.154 399 A CA 1.313 53.373 52.037 0.039 0.000 0.701 399 A CB -0.224 18.796 19.000 0.033 0.000 0.789 399 A HN 0.861 nan 8.150 nan 0.000 0.465 400 A N -0.448 122.330 122.820 -0.069 0.000 3.464 400 A HA 0.506 4.825 4.320 -0.001 0.000 0.243 400 A C -0.264 177.190 177.584 -0.216 0.000 1.100 400 A CA -0.718 51.212 52.037 -0.177 0.000 0.957 400 A CB -0.609 18.335 19.000 -0.093 0.000 1.340 400 A HN 0.596 nan 8.150 nan 0.000 0.645 401 Y N -1.099 119.077 120.300 -0.207 0.000 2.301 401 Y HA 0.671 5.220 4.550 -0.001 0.000 0.328 401 Y C -0.132 175.587 175.900 -0.301 0.000 1.242 401 Y CA -1.310 56.591 58.100 -0.332 0.000 1.323 401 Y CB 0.173 38.340 38.460 -0.488 0.000 1.266 401 Y HN 0.281 nan 8.280 nan 0.000 0.527 402 D N 1.331 121.675 120.400 -0.094 0.000 2.339 402 D HA 0.144 4.783 4.640 -0.001 0.000 0.245 402 D C -1.361 174.899 176.300 -0.067 0.000 1.115 402 D CA 0.127 54.108 54.000 -0.031 0.000 0.917 402 D CB 0.398 41.233 40.800 0.058 0.000 1.192 402 D HN 0.668 nan 8.370 nan 0.000 0.428 403 W N 0.861 122.155 121.300 -0.010 0.000 2.573 403 W HA 0.518 5.178 4.660 -0.001 0.000 0.326 403 W C -0.293 176.123 176.519 -0.173 0.000 1.049 403 W CA -0.669 56.634 57.345 -0.070 0.000 1.220 403 W CB 0.996 30.418 29.460 -0.064 0.000 1.373 403 W HN 0.063 nan 8.180 nan 0.000 0.507 404 I N 3.798 124.391 120.570 0.038 0.000 2.354 404 I HA 0.261 4.430 4.170 -0.001 0.000 0.286 404 I C 0.710 176.748 176.117 -0.131 0.000 1.007 404 I CA -0.276 60.891 61.300 -0.221 0.000 1.167 404 I CB 1.570 39.273 38.000 -0.495 0.000 1.320 404 I HN 0.707 nan 8.210 nan 0.000 0.458 405 A N 4.215 126.851 122.820 -0.307 0.000 2.267 405 A HA 0.072 4.392 4.320 -0.001 0.000 0.213 405 A C 0.804 178.338 177.584 -0.084 0.000 1.192 405 A CA 0.349 52.222 52.037 -0.272 0.000 0.851 405 A CB -0.116 18.496 19.000 -0.647 0.000 0.881 405 A HN 0.775 nan 8.150 nan 0.000 0.494 406 D N -1.976 118.419 120.400 -0.009 0.000 2.760 406 D HA 0.131 4.770 4.640 -0.001 0.000 0.314 406 D C -0.283 176.126 176.300 0.182 0.000 1.464 406 D CA -0.621 53.466 54.000 0.145 0.000 0.797 406 D CB -1.158 39.798 40.800 0.259 0.000 1.149 406 D HN 0.069 nan 8.370 nan 0.000 0.455 407 F N 2.071 122.036 119.950 0.024 0.000 2.572 407 F HA 0.217 4.744 4.527 -0.001 0.000 0.370 407 F C 0.355 176.219 175.800 0.106 0.000 1.103 407 F CA 0.520 58.560 58.000 0.067 0.000 1.286 407 F CB 0.751 39.743 39.000 -0.014 0.000 1.105 407 F HN -0.081 nan 8.300 nan 0.000 0.583 408 Q N 6.019 125.517 119.800 -0.503 0.000 2.394 408 Q HA 0.185 4.525 4.340 -0.001 0.000 0.259 408 Q C -0.560 175.227 176.000 -0.356 0.000 1.021 408 Q CA -0.892 54.748 55.803 -0.271 0.000 0.805 408 Q CB 1.543 30.175 28.738 -0.177 0.000 1.226 408 Q HN 0.532 nan 8.270 nan 0.000 0.476 409 K N 0.903 121.277 120.400 -0.044 0.000 2.511 409 K HA 0.034 4.353 4.320 -0.001 0.000 0.280 409 K C 0.881 177.473 176.600 -0.012 0.000 1.008 409 K CA 1.406 57.734 56.287 0.069 0.000 1.050 409 K CB 0.044 32.597 32.500 0.088 0.000 0.889 409 K HN 0.859 nan 8.250 nan 0.000 0.484 410 G N 3.443 112.252 108.800 0.016 0.000 2.184 410 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.264 410 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.264 410 G C 0.603 175.484 174.900 -0.031 0.000 0.975 410 G CA 0.595 45.694 45.100 -0.002 0.000 0.642 410 G HN 0.654 nan 8.290 nan 0.000 0.536 411 I N -0.624 119.894 120.570 -0.087 0.000 3.878 411 I HA 0.229 4.399 4.170 -0.001 0.000 0.273 411 I C 0.655 176.704 176.117 -0.113 0.000 1.165 411 I CA -0.167 61.079 61.300 -0.090 0.000 1.360 411 I CB 0.076 38.017 38.000 -0.098 0.000 1.539 411 I HN -0.062 nan 8.210 nan 0.000 0.447 412 D N 2.309 122.550 120.400 -0.266 0.000 2.383 412 D HA 0.363 5.003 4.640 -0.001 0.000 0.248 412 D C -0.365 175.962 176.300 0.045 0.000 1.170 412 D CA 0.158 54.027 54.000 -0.220 0.000 0.977 412 D CB 1.107 41.623 40.800 -0.474 0.000 1.120 412 D HN 0.024 nan 8.370 nan 0.000 0.481 413 K N 0.134 120.722 120.400 0.313 0.000 2.477 413 K HA 0.576 4.895 4.320 -0.001 0.000 0.255 413 K C -0.755 176.237 176.600 0.653 0.000 0.952 413 K CA -0.683 55.874 56.287 0.449 0.000 0.826 413 K CB 2.249 34.896 32.500 0.245 0.000 1.331 413 K HN 0.244 nan 8.250 nan 0.000 0.437 414 I N 1.477 122.368 120.570 0.535 0.000 2.362 414 I HA 0.152 4.321 4.170 -0.001 0.000 0.289 414 I C -0.776 175.574 176.117 0.389 0.000 0.994 414 I CA -0.564 61.034 61.300 0.496 0.000 1.158 414 I CB 1.510 39.687 38.000 0.296 0.000 1.315 414 I HN 0.487 nan 8.210 nan 0.000 0.451 415 D N 7.821 128.484 120.400 0.439 0.000 2.392 415 D HA 0.303 4.942 4.640 -0.001 0.000 0.228 415 D C 0.052 176.590 176.300 0.397 0.000 1.074 415 D CA -0.223 53.985 54.000 0.347 0.000 0.838 415 D CB 1.385 42.369 40.800 0.307 0.000 1.067 415 D HN 0.465 nan 8.370 nan 0.000 0.511 416 L N 3.078 124.485 121.223 0.306 0.000 2.818 416 L HA 0.053 4.393 4.340 -0.001 0.000 0.243 416 L C 2.132 179.170 176.870 0.279 0.000 1.185 416 L CA -0.163 54.883 54.840 0.344 0.000 0.988 416 L CB 0.137 42.284 42.059 0.146 0.000 1.292 416 L HN 0.293 nan 8.230 nan 0.000 0.519 417 S N 0.370 116.166 115.700 0.160 0.000 2.419 417 S HA -0.189 4.281 4.470 -0.001 0.000 0.233 417 S C 2.166 176.721 174.600 -0.075 0.000 1.016 417 S CA 0.915 59.153 58.200 0.062 0.000 0.974 417 S CB -0.132 63.106 63.200 0.062 0.000 0.786 417 S HN 0.397 nan 8.310 nan 0.000 0.492 418 A N 0.946 123.603 122.820 -0.272 0.000 2.024 418 A HA 0.066 4.386 4.320 -0.001 0.000 0.220 418 A C 1.736 179.084 177.584 -0.393 0.000 1.164 418 A CA 1.240 52.916 52.037 -0.601 0.000 0.643 418 A CB -1.121 17.289 19.000 -0.984 0.000 0.806 418 A HN 0.592 nan 8.150 nan 0.000 0.451 419 F N -0.211 119.646 119.950 -0.155 0.000 2.546 419 F HA -0.034 4.493 4.527 -0.001 0.000 0.298 419 F C 2.276 178.024 175.800 -0.087 0.000 1.120 419 F CA 0.901 58.829 58.000 -0.119 0.000 1.456 419 F CB -0.202 38.712 39.000 -0.144 0.000 1.088 419 F HN 0.144 nan 8.300 nan 0.000 0.572 420 R N 0.764 121.292 120.500 0.048 0.000 2.159 420 R HA -0.186 4.154 4.340 -0.001 0.000 0.237 420 R C 1.934 178.233 176.300 -0.001 0.000 1.131 420 R CA 1.347 57.461 56.100 0.023 0.000 0.982 420 R CB -0.677 29.626 30.300 0.005 0.000 0.868 420 R HN 0.381 nan 8.270 nan 0.000 0.453 421 N N 1.318 119.996 118.700 -0.037 0.000 2.519 421 N HA -0.186 4.554 4.740 -0.001 0.000 0.186 421 N C 0.230 175.737 175.510 -0.006 0.000 1.062 421 N CA 1.200 54.231 53.050 -0.032 0.000 0.910 421 N CB -0.021 38.431 38.487 -0.057 0.000 0.958 421 N HN 0.425 nan 8.380 nan 0.000 0.445 422 E N -0.865 119.344 120.200 0.015 0.000 2.624 422 E HA 0.398 4.747 4.350 -0.001 0.000 0.210 422 E C -0.096 176.520 176.600 0.026 0.000 0.997 422 E CA -0.153 56.264 56.400 0.029 0.000 0.999 422 E CB 0.473 30.206 29.700 0.054 0.000 1.040 422 E HN 0.382 nan 8.360 nan 0.000 0.469 423 G N 2.067 110.881 108.800 0.024 0.000 2.841 423 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.684 423 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.684 423 G C -0.854 174.063 174.900 0.028 0.000 1.273 423 G CA -1.186 43.926 45.100 0.019 0.000 0.811 423 G HN 0.059 nan 8.290 nan 0.000 0.631 424 Q N 0.726 120.541 119.800 0.026 0.000 2.269 424 Q HA 0.368 4.708 4.340 -0.001 0.000 0.300 424 Q C 0.678 176.697 176.000 0.033 0.000 1.070 424 Q CA 0.286 56.109 55.803 0.033 0.000 0.957 424 Q CB 0.362 29.119 28.738 0.031 0.000 1.131 424 Q HN 0.573 nan 8.270 nan 0.000 0.377 425 L N 3.456 124.702 121.223 0.039 0.000 2.416 425 L HA 0.211 4.550 4.340 -0.001 0.000 0.272 425 L C 0.064 176.969 176.870 0.059 0.000 1.161 425 L CA -0.103 54.752 54.840 0.025 0.000 0.845 425 L CB 0.881 42.940 42.059 -0.001 0.000 1.119 425 L HN 0.649 nan 8.230 nan 0.000 0.464 426 S N 2.547 118.285 115.700 0.064 0.000 2.509 426 S HA 0.434 4.903 4.470 -0.001 0.000 0.297 426 S C -0.582 174.104 174.600 0.143 0.000 1.118 426 S CA -0.502 57.759 58.200 0.102 0.000 1.074 426 S CB 1.330 64.574 63.200 0.074 0.000 1.038 426 S HN 0.306 nan 8.310 nan 0.000 0.498 427 F N 3.740 123.702 119.950 0.020 0.000 2.410 427 F HA 0.519 5.045 4.527 -0.001 0.000 0.348 427 F C 0.051 175.854 175.800 0.006 0.000 1.106 427 F CA -0.367 57.642 58.000 0.015 0.000 1.163 427 F CB 0.655 39.660 39.000 0.009 0.000 1.129 427 F HN 0.363 nan 8.300 nan 0.000 0.516 428 V N 4.219 123.848 119.914 -0.474 0.000 2.864 428 V HA 0.444 4.564 4.120 -0.001 0.000 0.314 428 V C 0.245 176.069 176.094 -0.450 0.000 1.073 428 V CA -0.739 61.375 62.300 -0.309 0.000 0.956 428 V CB 1.843 33.507 31.823 -0.265 0.000 1.023 428 V HN 0.783 nan 8.190 nan 0.000 0.435 429 Q N 0.955 120.634 119.800 -0.200 0.000 2.033 429 Q HA 0.085 4.425 4.340 -0.001 0.000 0.196 429 Q C 0.631 176.520 176.000 -0.184 0.000 0.970 429 Q CA 1.906 57.635 55.803 -0.123 0.000 0.828 429 Q CB 0.136 28.869 28.738 -0.009 0.000 0.895 429 Q HN 0.951 nan 8.270 nan 0.000 0.440 430 D N -0.567 119.712 120.400 -0.202 0.000 2.497 430 D HA 0.071 4.711 4.640 -0.001 0.000 0.256 430 D C -0.023 176.111 176.300 -0.277 0.000 1.273 430 D CA 0.136 54.013 54.000 -0.205 0.000 0.812 430 D CB 1.245 41.978 40.800 -0.112 0.000 1.190 430 D HN 0.279 nan 8.370 nan 0.000 0.524 431 Q N -0.221 119.388 119.800 -0.317 0.000 2.377 431 Q HA 0.428 4.768 4.340 -0.001 0.000 0.279 431 Q C -1.508 174.299 176.000 -0.320 0.000 1.049 431 Q CA -0.751 54.871 55.803 -0.301 0.000 0.825 431 Q CB 1.429 30.080 28.738 -0.145 0.000 1.401 431 Q HN -0.202 nan 8.270 nan 0.000 0.404 432 F N 1.231 121.117 119.950 -0.107 0.000 2.385 432 F HA 0.239 4.766 4.527 -0.001 0.000 0.336 432 F C 1.693 177.474 175.800 -0.033 0.000 1.100 432 F CA 0.011 57.972 58.000 -0.066 0.000 1.116 432 F CB 1.955 40.902 39.000 -0.089 0.000 1.166 432 F HN 0.860 nan 8.300 nan 0.000 0.511 433 T N -1.676 113.013 114.554 0.225 0.000 3.035 433 T HA 0.271 4.621 4.350 -0.001 0.000 0.259 433 T C 1.539 176.308 174.700 0.114 0.000 1.078 433 T CA 0.629 62.800 62.100 0.119 0.000 1.132 433 T CB 0.205 69.123 68.868 0.083 0.000 0.900 433 T HN 1.041 nan 8.240 nan 0.000 0.480 434 G N 1.390 110.291 108.800 0.168 0.000 2.238 434 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 434 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 434 G C 0.907 175.867 174.900 0.100 0.000 0.996 434 G CA 0.239 45.435 45.100 0.159 0.000 0.632 434 G HN 0.518 nan 8.290 nan 0.000 0.503 435 K N 0.897 121.329 120.400 0.053 0.000 2.362 435 K HA 0.365 4.685 4.320 -0.001 0.000 0.200 435 K C 1.551 178.085 176.600 -0.109 0.000 1.046 435 K CA 0.738 57.019 56.287 -0.011 0.000 0.952 435 K CB -0.173 32.332 32.500 0.009 0.000 0.753 435 K HN 1.592 nan 8.250 nan 0.000 0.466 436 G N 1.037 109.702 108.800 -0.225 0.000 2.814 436 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.677 436 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.677 436 G C -0.771 174.001 174.900 -0.212 0.000 1.429 436 G CA -0.512 44.309 45.100 -0.464 0.000 0.868 436 G HN 0.178 nan 8.290 nan 0.000 0.553 437 Q N -0.828 118.840 119.800 -0.220 0.000 2.452 437 Q HA -0.159 4.180 4.340 -0.001 0.000 0.318 437 Q C 0.254 176.220 176.000 -0.056 0.000 1.386 437 Q CA 2.310 58.041 55.803 -0.120 0.000 0.872 437 Q CB -1.399 27.305 28.738 -0.058 0.000 1.151 437 Q HN 0.893 nan 8.270 nan 0.000 0.417 438 E N -0.815 119.371 120.200 -0.024 0.000 2.238 438 E HA 0.689 5.039 4.350 -0.001 0.000 0.267 438 E C -0.537 176.171 176.600 0.180 0.000 0.887 438 E CA -0.864 55.608 56.400 0.121 0.000 0.769 438 E CB 2.224 32.109 29.700 0.309 0.000 1.187 438 E HN 0.007 nan 8.360 nan 0.000 0.416 439 V N 2.979 122.940 119.914 0.078 0.000 2.680 439 V HA 0.531 4.651 4.120 -0.001 0.000 0.309 439 V C -0.381 175.535 176.094 -0.297 0.000 1.052 439 V CA -0.751 61.554 62.300 0.008 0.000 0.908 439 V CB 1.821 33.655 31.823 0.019 0.000 1.001 439 V HN 0.687 nan 8.190 nan 0.000 0.431 440 M N 4.710 124.178 119.600 -0.220 0.000 2.446 440 M HA 0.647 5.127 4.480 -0.001 0.000 0.294 440 M C -2.259 173.941 176.300 -0.168 0.000 1.158 440 M CA -0.613 54.405 55.300 -0.470 0.000 0.899 440 M CB 2.277 34.561 32.600 -0.527 0.000 1.687 440 M HN 0.548 nan 8.290 nan 0.000 0.455 441 L N 4.068 125.206 121.223 -0.142 0.000 2.317 441 L HA 0.535 4.875 4.340 -0.001 0.000 0.281 441 L C -0.646 176.276 176.870 0.087 0.000 1.024 441 L CA -0.708 54.167 54.840 0.059 0.000 0.810 441 L CB 1.850 44.021 42.059 0.187 0.000 1.240 441 L HN 0.616 nan 8.230 nan 0.000 0.427 442 Q N 3.349 123.232 119.800 0.138 0.000 2.292 442 Q HA 0.225 4.564 4.340 -0.001 0.000 0.270 442 Q C -1.431 174.705 176.000 0.226 0.000 1.024 442 Q CA -0.316 55.589 55.803 0.170 0.000 0.768 442 Q CB 3.079 31.943 28.738 0.210 0.000 1.250 442 Q HN 0.651 nan 8.270 nan 0.000 0.447 443 W N 4.300 125.610 121.300 0.017 0.000 2.351 443 W HA 0.238 4.897 4.660 -0.001 0.000 0.311 443 W C -0.871 175.657 176.519 0.016 0.000 1.168 443 W CA -0.362 56.991 57.345 0.014 0.000 1.200 443 W CB 1.179 30.652 29.460 0.020 0.000 1.221 443 W HN 0.541 nan 8.180 nan 0.000 0.519 444 D N 4.764 124.783 120.400 -0.635 0.000 2.473 444 D HA 0.333 4.973 4.640 -0.001 0.000 0.226 444 D C 0.842 176.491 176.300 -1.086 0.000 1.089 444 D CA -0.099 53.529 54.000 -0.620 0.000 0.883 444 D CB 1.447 42.037 40.800 -0.349 0.000 1.029 444 D HN 0.412 nan 8.370 nan 0.000 0.517 445 A N 3.601 125.911 122.820 -0.850 0.000 1.969 445 A HA 0.063 4.382 4.320 -0.001 0.000 0.218 445 A C 2.067 179.465 177.584 -0.310 0.000 1.169 445 A CA 1.487 53.176 52.037 -0.580 0.000 0.635 445 A CB -0.360 18.603 19.000 -0.061 0.000 0.810 445 A HN 0.609 nan 8.150 nan 0.000 0.445 446 A N 0.058 122.730 122.820 -0.246 0.000 1.930 446 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 446 A C 1.746 179.242 177.584 -0.145 0.000 1.175 446 A CA 1.572 53.525 52.037 -0.140 0.000 0.627 446 A CB -0.318 18.622 19.000 -0.100 0.000 0.815 446 A HN 0.533 nan 8.150 nan 0.000 0.443 447 N N -0.855 117.713 118.700 -0.219 0.000 2.220 447 N HA 0.069 4.809 4.740 -0.001 0.000 0.195 447 N C -0.161 175.225 175.510 -0.206 0.000 1.123 447 N CA 0.778 53.729 53.050 -0.164 0.000 0.874 447 N CB 0.539 38.957 38.487 -0.114 0.000 0.995 447 N HN 0.216 nan 8.380 nan 0.000 0.498 448 S N 0.687 116.127 115.700 -0.432 0.000 3.682 448 S HA -0.132 4.338 4.470 -0.001 0.000 0.354 448 S C -0.231 174.207 174.600 -0.271 0.000 1.034 448 S CA 0.405 58.338 58.200 -0.445 0.000 1.084 448 S CB -1.165 62.070 63.200 0.058 0.000 0.903 448 S HN 0.267 nan 8.310 nan 0.000 0.470 449 I N 1.404 121.712 120.570 -0.437 0.000 2.474 449 I HA 0.394 4.564 4.170 -0.001 0.000 0.294 449 I C 0.699 176.785 176.117 -0.051 0.000 1.005 449 I CA -0.223 61.025 61.300 -0.087 0.000 1.113 449 I CB 1.741 39.731 38.000 -0.016 0.000 1.289 449 I HN 0.030 nan 8.210 nan 0.000 0.436 450 T N 5.380 120.027 114.554 0.154 0.000 2.749 450 T HA 0.355 4.704 4.350 -0.001 0.000 0.287 450 T C 0.117 174.757 174.700 -0.101 0.000 0.970 450 T CA -0.609 61.587 62.100 0.161 0.000 0.980 450 T CB 0.505 69.499 68.868 0.210 0.000 0.924 450 T HN 0.310 nan 8.240 nan 0.000 0.456 451 N N 2.911 121.513 118.700 -0.164 0.000 2.426 451 N HA 0.318 5.057 4.740 -0.001 0.000 0.275 451 N C -0.795 174.449 175.510 -0.444 0.000 1.019 451 N CA -0.501 52.269 53.050 -0.467 0.000 0.941 451 N CB 1.341 39.514 38.487 -0.523 0.000 1.123 451 N HN 0.578 nan 8.380 nan 0.000 0.486 452 L N 3.194 124.095 121.223 -0.538 0.000 2.257 452 L HA 0.479 4.819 4.340 -0.001 0.000 0.290 452 L C -1.154 175.479 176.870 -0.395 0.000 1.044 452 L CA -0.751 53.891 54.840 -0.330 0.000 0.810 452 L CB 0.470 42.380 42.059 -0.249 0.000 1.193 452 L HN 0.467 nan 8.230 nan 0.000 0.425 453 W N 6.126 127.416 121.300 -0.018 0.000 2.520 453 W HA 0.596 5.255 4.660 -0.001 0.000 0.323 453 W C -0.686 175.931 176.519 0.165 0.000 1.062 453 W CA -0.503 56.899 57.345 0.094 0.000 1.215 453 W CB 1.627 31.196 29.460 0.182 0.000 1.340 453 W HN 0.304 nan 8.180 nan 0.000 0.516 454 L N 3.728 125.176 121.223 0.375 0.000 2.376 454 L HA 0.402 4.741 4.340 -0.001 0.000 0.275 454 L C -0.711 176.136 176.870 -0.038 0.000 0.987 454 L CA -0.777 54.091 54.840 0.047 0.000 0.828 454 L CB 1.249 43.052 42.059 -0.427 0.000 1.249 454 L HN 0.543 nan 8.230 nan 0.000 0.409 455 H N 4.962 123.824 119.070 -0.346 0.000 2.690 455 H HA 0.223 4.778 4.556 -0.001 0.000 0.289 455 H C -0.767 174.373 175.328 -0.314 0.000 1.089 455 H CA -0.499 55.254 56.048 -0.493 0.000 1.299 455 H CB 0.977 30.155 29.762 -0.972 0.000 1.405 455 H HN 0.681 nan 8.280 nan 0.000 0.463 456 E N 3.665 123.702 120.200 -0.272 0.000 2.301 456 E HA 0.384 4.733 4.350 -0.001 0.000 0.275 456 E C -0.486 176.011 176.600 -0.171 0.000 1.030 456 E CA -0.878 55.361 56.400 -0.267 0.000 0.852 456 E CB 0.962 30.448 29.700 -0.357 0.000 1.060 456 E HN 0.758 nan 8.360 nan 0.000 0.401 457 A N 2.814 125.575 122.820 -0.100 0.000 2.584 457 A HA 0.293 4.612 4.320 -0.001 0.000 0.239 457 A C 1.228 178.859 177.584 0.079 0.000 1.043 457 A CA 0.954 52.962 52.037 -0.049 0.000 0.756 457 A CB -0.715 18.281 19.000 -0.007 0.000 0.963 457 A HN 1.107 nan 8.150 nan 0.000 0.511 458 G N 1.519 110.334 108.800 0.024 0.000 2.179 458 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.260 458 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.260 458 G C 0.175 175.075 174.900 0.001 0.000 0.977 458 G CA 0.550 45.666 45.100 0.026 0.000 0.641 458 G HN 1.111 nan 8.290 nan 0.000 0.533 459 H N 0.585 119.647 119.070 -0.013 0.000 2.519 459 H HA 0.447 5.003 4.556 -0.001 0.000 0.316 459 H C 0.950 176.357 175.328 0.131 0.000 1.065 459 H CA 0.163 56.246 56.048 0.058 0.000 1.264 459 H CB 1.705 31.523 29.762 0.094 0.000 1.413 459 H HN 0.159 nan 8.280 nan 0.000 0.465 460 S N 2.212 118.001 115.700 0.148 0.000 2.428 460 S HA -0.072 4.398 4.470 -0.001 0.000 0.230 460 S C 1.076 175.724 174.600 0.080 0.000 1.014 460 S CA 0.572 58.845 58.200 0.122 0.000 0.957 460 S CB 0.163 63.388 63.200 0.041 0.000 0.784 460 S HN 0.698 nan 8.310 nan 0.000 0.499 461 S N 0.328 116.067 115.700 0.065 0.000 2.664 461 S HA 0.631 5.100 4.470 -0.001 0.000 0.304 461 S C -0.472 174.075 174.600 -0.088 0.000 1.099 461 S CA -0.917 57.245 58.200 -0.062 0.000 1.003 461 S CB 1.544 64.734 63.200 -0.015 0.000 1.092 461 S HN -0.052 nan 8.310 nan 0.000 0.525 462 V N 2.326 122.096 119.914 -0.239 0.000 2.405 462 V HA 0.251 4.370 4.120 -0.001 0.000 0.264 462 V C -0.248 175.875 176.094 0.048 0.000 1.048 462 V CA -0.048 62.128 62.300 -0.208 0.000 0.966 462 V CB 0.384 31.985 31.823 -0.370 0.000 1.015 462 V HN 0.924 nan 8.190 nan 0.000 0.477 463 D N 3.162 123.632 120.400 0.116 0.000 2.469 463 D HA 0.176 4.816 4.640 -0.001 0.000 0.213 463 D C -0.230 176.185 176.300 0.192 0.000 1.135 463 D CA 0.304 54.404 54.000 0.165 0.000 0.834 463 D CB 0.804 41.735 40.800 0.219 0.000 1.009 463 D HN 0.471 nan 8.370 nan 0.000 0.507 464 F N 1.695 121.653 119.950 0.014 0.000 2.507 464 F HA 0.527 5.054 4.527 -0.001 0.000 0.325 464 F C -1.558 174.179 175.800 -0.105 0.000 1.116 464 F CA -1.163 56.804 58.000 -0.055 0.000 0.930 464 F CB 1.552 40.470 39.000 -0.136 0.000 1.146 464 F HN -0.268 nan 8.300 nan 0.000 0.447 465 L N 7.197 128.023 121.223 -0.660 0.000 2.493 465 L HA 0.732 5.071 4.340 -0.001 0.000 0.265 465 L C -1.994 174.307 176.870 -0.949 0.000 0.954 465 L CA -0.545 53.798 54.840 -0.828 0.000 0.844 465 L CB 2.074 43.555 42.059 -0.965 0.000 1.302 465 L HN 0.396 nan 8.230 nan 0.000 0.405 466 V N 5.193 124.593 119.914 -0.857 0.000 2.448 466 V HA 0.622 4.742 4.120 -0.001 0.000 0.295 466 V C -0.080 175.585 176.094 -0.714 0.000 1.025 466 V CA -0.593 61.282 62.300 -0.707 0.000 0.859 466 V CB 1.783 33.243 31.823 -0.605 0.000 0.988 466 V HN 0.736 nan 8.190 nan 0.000 0.431 467 R N 4.613 124.644 120.500 -0.782 0.000 2.474 467 R HA 0.736 5.075 4.340 -0.001 0.000 0.295 467 R C -1.141 174.932 176.300 -0.379 0.000 0.980 467 R CA -0.596 55.001 56.100 -0.839 0.000 0.934 467 R CB 1.902 31.236 30.300 -1.611 0.000 1.101 467 R HN 0.573 nan 8.270 nan 0.000 0.469 468 I N 2.129 122.605 120.570 -0.156 0.000 2.466 468 I HA 0.198 4.367 4.170 -0.001 0.000 0.289 468 I C -0.286 175.948 176.117 0.195 0.000 1.026 468 I CA -1.012 60.290 61.300 0.004 0.000 1.078 468 I CB 2.357 40.259 38.000 -0.164 0.000 1.249 468 I HN 0.250 nan 8.210 nan 0.000 0.429 469 V N 6.061 126.116 119.914 0.235 0.000 2.276 469 V HA 0.713 4.832 4.120 -0.001 0.000 0.249 469 V C 0.691 176.906 176.094 0.202 0.000 1.160 469 V CA 0.121 62.537 62.300 0.193 0.000 1.042 469 V CB -0.598 31.263 31.823 0.063 0.000 1.224 469 V HN 1.073 nan 8.190 nan 0.000 0.496 470 G N 4.035 113.001 108.800 0.276 0.000 2.369 470 G HA2 0.093 4.052 3.960 -0.001 0.000 0.307 470 G HA3 0.093 4.052 3.960 -0.001 0.000 0.307 470 G C -1.260 173.861 174.900 0.368 0.000 1.327 470 G CA -0.946 44.343 45.100 0.314 0.000 0.963 470 G HN 0.393 nan 8.290 nan 0.000 0.590 471 Q N -0.680 119.241 119.800 0.201 0.000 2.312 471 Q HA 0.654 4.994 4.340 -0.001 0.000 0.236 471 Q C 0.125 176.216 176.000 0.151 0.000 0.965 471 Q CA 0.071 55.876 55.803 0.004 0.000 0.894 471 Q CB 1.710 30.290 28.738 -0.262 0.000 1.225 471 Q HN 1.306 nan 8.270 nan 0.000 0.478 472 A N 0.313 123.181 122.820 0.080 0.000 2.549 472 A HA 0.769 5.088 4.320 -0.001 0.000 0.297 472 A C -1.523 176.109 177.584 0.080 0.000 1.061 472 A CA -0.521 51.607 52.037 0.152 0.000 0.690 472 A CB 1.626 20.595 19.000 -0.051 0.000 1.287 472 A HN 0.695 nan 8.150 nan 0.000 0.402 473 A N 0.333 123.216 122.820 0.106 0.000 2.306 473 A HA 0.581 4.901 4.320 -0.001 0.000 0.330 473 A C 0.929 178.499 177.584 -0.023 0.000 1.146 473 A CA 0.058 52.109 52.037 0.024 0.000 0.827 473 A CB 0.836 19.842 19.000 0.010 0.000 1.178 473 A HN 1.081 nan 8.150 nan 0.000 0.490 474 Q N 1.084 120.789 119.800 -0.157 0.000 2.152 474 Q HA -0.206 4.133 4.340 -0.001 0.000 0.206 474 Q C 1.633 177.423 176.000 -0.351 0.000 0.985 474 Q CA 2.464 57.944 55.803 -0.538 0.000 0.863 474 Q CB -0.189 27.947 28.738 -1.004 0.000 0.904 474 Q HN 0.931 nan 8.270 nan 0.000 0.422 475 S N -0.544 115.044 115.700 -0.186 0.000 2.603 475 S HA -0.044 4.426 4.470 -0.001 0.000 0.229 475 S C 0.613 175.213 174.600 0.000 0.000 0.972 475 S CA 0.698 58.840 58.200 -0.097 0.000 0.935 475 S CB 0.181 63.342 63.200 -0.066 0.000 0.769 475 S HN 0.350 nan 8.310 nan 0.000 0.536 476 D N 1.051 121.486 120.400 0.058 0.000 2.350 476 D HA 0.206 4.846 4.640 -0.001 0.000 0.213 476 D C -0.047 176.377 176.300 0.208 0.000 1.031 476 D CA 0.167 54.283 54.000 0.193 0.000 0.861 476 D CB 0.199 41.226 40.800 0.377 0.000 0.926 476 D HN 0.379 nan 8.370 nan 0.000 0.520 477 I N 2.345 122.977 120.570 0.104 0.000 2.312 477 I HA 0.157 4.326 4.170 -0.001 0.000 0.290 477 I C 0.076 176.255 176.117 0.103 0.000 1.008 477 I CA -0.791 60.582 61.300 0.123 0.000 1.226 477 I CB 1.008 39.083 38.000 0.124 0.000 1.371 477 I HN -0.244 nan 8.210 nan 0.000 0.468 478 I N 7.968 128.625 120.570 0.144 0.000 2.322 478 I HA 0.200 4.370 4.170 -0.001 0.000 0.292 478 I C 0.613 176.803 176.117 0.122 0.000 1.060 478 I CA -0.184 61.190 61.300 0.123 0.000 1.309 478 I CB 0.671 38.756 38.000 0.143 0.000 1.415 478 I HN 0.310 nan 8.210 nan 0.000 0.492 479 V N 0.000 119.970 119.914 0.093 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.355 62.300 0.091 0.000 1.235 479 V CB 0.000 31.879 31.823 0.093 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556