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 7at1_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFQ TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQQTEG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPEYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.007 0.000 1.274 1 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 1 A CB 0.000 19.010 19.000 0.017 0.000 0.831 2 N N 2.036 120.744 118.700 0.013 0.000 2.492 2 N HA 0.682 5.422 4.740 -0.000 0.000 0.289 2 N C -1.472 174.086 175.510 0.080 0.000 1.133 2 N CA -1.459 51.616 53.050 0.043 0.000 0.961 2 N CB 1.239 39.752 38.487 0.042 0.000 1.186 2 N HN 0.222 nan 8.380 nan 0.000 0.493 3 P HA -0.090 nan 4.420 nan 0.000 0.225 3 P C 0.595 177.930 177.300 0.059 0.000 1.148 3 P CA 1.041 64.174 63.100 0.054 0.000 0.779 3 P CB 0.265 31.986 31.700 0.036 0.000 0.780 4 L N -2.161 119.106 121.223 0.075 0.000 2.607 4 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 4 L C 1.050 177.971 176.870 0.085 0.000 1.123 4 L CA -0.612 54.267 54.840 0.064 0.000 0.890 4 L CB -0.601 41.495 42.059 0.063 0.000 1.103 4 L HN -0.058 nan 8.230 nan 0.000 0.468 5 Y N 2.828 123.124 120.300 -0.007 0.000 2.729 5 Y HA -0.139 4.411 4.550 -0.000 0.000 0.331 5 Y C 0.880 176.761 175.900 -0.031 0.000 1.208 5 Y CA 0.113 58.207 58.100 -0.010 0.000 1.521 5 Y CB 0.353 38.809 38.460 -0.007 0.000 1.233 5 Y HN 0.243 nan 8.280 nan 0.000 0.539 6 Q N 1.608 121.127 119.800 -0.468 0.000 2.362 6 Q HA -0.257 4.083 4.340 -0.000 0.000 0.220 6 Q C -0.400 175.402 176.000 -0.329 0.000 0.713 6 Q CA 1.105 56.634 55.803 -0.457 0.000 1.345 6 Q CB -1.195 27.159 28.738 -0.640 0.000 1.570 6 Q HN 0.637 nan 8.270 nan 0.000 0.701 7 K N 1.255 121.525 120.400 -0.217 0.000 2.168 7 K HA 0.253 4.573 4.320 -0.000 0.000 0.258 7 K C 0.292 176.783 176.600 -0.182 0.000 1.010 7 K CA -0.203 55.955 56.287 -0.216 0.000 0.929 7 K CB 0.317 32.765 32.500 -0.086 0.000 0.998 7 K HN 0.099 nan 8.250 nan 0.000 0.479 8 H N 1.592 120.647 119.070 -0.024 0.000 2.620 8 H HA 0.212 4.768 4.556 -0.000 0.000 0.313 8 H C -0.037 175.295 175.328 0.008 0.000 1.075 8 H CA -0.471 55.568 56.048 -0.014 0.000 1.397 8 H CB 0.577 30.326 29.762 -0.022 0.000 1.446 8 H HN 0.172 nan 8.280 nan 0.000 0.493 9 I N 5.888 126.542 120.570 0.140 0.000 2.377 9 I HA 0.096 4.266 4.170 -0.000 0.000 0.282 9 I C 1.212 177.393 176.117 0.107 0.000 1.091 9 I CA 0.102 61.469 61.300 0.112 0.000 1.207 9 I CB -0.333 37.738 38.000 0.120 0.000 1.429 9 I HN 0.589 nan 8.210 nan 0.000 0.491 10 I N 1.705 122.331 120.570 0.093 0.000 2.900 10 I HA 0.078 4.248 4.170 -0.000 0.000 0.251 10 I C 0.999 177.163 176.117 0.077 0.000 1.102 10 I CA 0.584 61.926 61.300 0.070 0.000 1.457 10 I CB 0.396 38.422 38.000 0.043 0.000 1.285 10 I HN 0.444 nan 8.210 nan 0.000 0.459 11 S N -0.064 115.679 115.700 0.071 0.000 2.548 11 S HA 0.407 4.877 4.470 -0.000 0.000 0.286 11 S C 0.784 175.429 174.600 0.075 0.000 1.098 11 S CA -0.687 57.557 58.200 0.073 0.000 0.930 11 S CB 1.458 64.687 63.200 0.048 0.000 1.070 11 S HN 0.088 nan 8.310 nan 0.000 0.480 12 I N 3.345 123.966 120.570 0.084 0.000 2.286 12 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 12 I C 1.944 178.096 176.117 0.060 0.000 1.115 12 I CA 1.111 62.459 61.300 0.080 0.000 1.392 12 I CB -1.280 36.775 38.000 0.091 0.000 1.065 12 I HN 0.673 nan 8.210 nan 0.000 0.418 13 N N 1.274 120.003 118.700 0.050 0.000 2.258 13 N HA -0.181 4.559 4.740 -0.000 0.000 0.187 13 N C 1.040 176.565 175.510 0.024 0.000 1.012 13 N CA 1.239 54.308 53.050 0.032 0.000 0.870 13 N CB -0.190 38.310 38.487 0.021 0.000 0.977 13 N HN 0.488 nan 8.380 nan 0.000 0.434 14 D N -0.160 120.258 120.400 0.030 0.000 2.350 14 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 14 D C 0.323 176.638 176.300 0.025 0.000 1.031 14 D CA 0.132 54.146 54.000 0.024 0.000 0.861 14 D CB 0.691 41.508 40.800 0.030 0.000 0.926 14 D HN 0.080 nan 8.370 nan 0.000 0.520 15 L N 1.403 122.646 121.223 0.033 0.000 2.334 15 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 15 L C 0.940 177.820 176.870 0.018 0.000 1.036 15 L CA -0.476 54.384 54.840 0.033 0.000 0.807 15 L CB 1.572 43.663 42.059 0.053 0.000 1.231 15 L HN -0.120 nan 8.230 nan 0.000 0.438 16 S N 2.296 117.999 115.700 0.006 0.000 2.745 16 S HA 0.457 4.927 4.470 -0.000 0.000 0.292 16 S C 1.097 175.670 174.600 -0.044 0.000 1.133 16 S CA -0.705 57.480 58.200 -0.025 0.000 0.998 16 S CB 1.707 64.892 63.200 -0.025 0.000 1.087 16 S HN 0.629 nan 8.310 nan 0.000 0.551 17 R N 0.655 121.080 120.500 -0.126 0.000 2.103 17 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 17 R C 1.036 177.309 176.300 -0.044 0.000 1.142 17 R CA 2.269 58.242 56.100 -0.212 0.000 0.960 17 R CB -0.820 29.256 30.300 -0.374 0.000 0.858 17 R HN 0.774 nan 8.270 nan 0.000 0.439 18 D N 0.459 120.844 120.400 -0.026 0.000 2.117 18 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 18 D C 1.338 177.661 176.300 0.039 0.000 0.987 18 D CA 1.247 55.256 54.000 0.015 0.000 0.829 18 D CB -0.252 40.551 40.800 0.006 0.000 0.961 18 D HN 0.352 nan 8.370 nan 0.000 0.460 19 D N 0.945 121.366 120.400 0.036 0.000 2.144 19 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 19 D C 2.473 178.816 176.300 0.071 0.000 0.978 19 D CA 0.292 54.321 54.000 0.049 0.000 0.833 19 D CB -0.360 40.467 40.800 0.045 0.000 0.961 19 D HN 0.250 nan 8.370 nan 0.000 0.470 20 L N 0.554 121.833 121.223 0.094 0.000 2.017 20 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 20 L C 2.038 178.995 176.870 0.145 0.000 1.073 20 L CA 1.237 56.161 54.840 0.140 0.000 0.745 20 L CB -0.564 41.628 42.059 0.223 0.000 0.894 20 L HN -0.009 nan 8.230 nan 0.000 0.432 21 N N -0.251 118.545 118.700 0.160 0.000 2.223 21 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 21 N C 1.711 177.276 175.510 0.092 0.000 1.016 21 N CA 0.716 53.853 53.050 0.146 0.000 0.863 21 N CB -0.059 38.517 38.487 0.149 0.000 0.983 21 N HN 0.136 nan 8.380 nan 0.000 0.429 22 L N 0.470 121.735 121.223 0.071 0.000 2.093 22 L HA -0.060 4.279 4.340 -0.000 0.000 0.208 22 L C 1.749 178.641 176.870 0.036 0.000 1.085 22 L CA 1.307 56.177 54.840 0.049 0.000 0.755 22 L CB -0.338 41.747 42.059 0.044 0.000 0.904 22 L HN -0.029 nan 8.230 nan 0.000 0.435 23 V N -0.214 119.723 119.914 0.038 0.000 2.427 23 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 23 V C 2.504 178.573 176.094 -0.043 0.000 1.051 23 V CA 1.930 64.234 62.300 0.007 0.000 1.048 23 V CB -0.600 31.237 31.823 0.023 0.000 0.666 23 V HN 0.445 nan 8.190 nan 0.000 0.456 24 L N 0.187 121.409 121.223 -0.001 0.000 2.056 24 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 24 L C 2.764 179.626 176.870 -0.013 0.000 1.078 24 L CA 1.463 56.291 54.840 -0.020 0.000 0.749 24 L CB -0.946 41.195 42.059 0.137 0.000 0.901 24 L HN 0.339 nan 8.230 nan 0.000 0.433 25 A N 0.195 123.033 122.820 0.029 0.000 1.902 25 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 25 A C 2.395 179.978 177.584 -0.002 0.000 1.181 25 A CA 2.291 54.348 52.037 0.035 0.000 0.623 25 A CB -0.946 18.078 19.000 0.040 0.000 0.818 25 A HN 0.394 nan 8.150 nan 0.000 0.443 26 T N 0.581 115.122 114.554 -0.021 0.000 2.720 26 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 26 T C 2.206 176.863 174.700 -0.071 0.000 1.037 26 T CA 1.698 63.780 62.100 -0.029 0.000 1.144 26 T CB -0.537 68.321 68.868 -0.017 0.000 0.864 26 T HN 0.611 nan 8.240 nan 0.000 0.444 27 A N 1.503 124.216 122.820 -0.178 0.000 1.908 27 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 27 A C 2.648 180.070 177.584 -0.270 0.000 1.181 27 A CA 1.901 53.728 52.037 -0.350 0.000 0.627 27 A CB -1.089 17.353 19.000 -0.929 0.000 0.818 27 A HN 0.532 nan 8.150 nan 0.000 0.445 28 A N -0.580 122.169 122.820 -0.119 0.000 1.930 28 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 28 A C 2.119 179.702 177.584 -0.002 0.000 1.175 28 A CA 1.660 53.758 52.037 0.101 0.000 0.627 28 A CB -0.344 18.773 19.000 0.195 0.000 0.815 28 A HN 0.528 nan 8.150 nan 0.000 0.443 29 K N -0.461 119.930 120.400 -0.016 0.000 2.025 29 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 29 K C 1.850 178.435 176.600 -0.025 0.000 1.049 29 K CA 1.363 57.640 56.287 -0.016 0.000 0.933 29 K CB -0.370 32.127 32.500 -0.004 0.000 0.714 29 K HN 0.440 nan 8.250 nan 0.000 0.438 30 L N 1.120 122.333 121.223 -0.016 0.000 2.083 30 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 30 L C 2.524 179.378 176.870 -0.028 0.000 1.083 30 L CA 1.215 56.072 54.840 0.028 0.000 0.752 30 L CB -0.281 41.833 42.059 0.092 0.000 0.899 30 L HN 0.157 nan 8.230 nan 0.000 0.433 31 K N 0.184 120.449 120.400 -0.224 0.000 2.097 31 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 31 K C 1.994 178.439 176.600 -0.258 0.000 1.049 31 K CA 1.379 57.316 56.287 -0.582 0.000 0.933 31 K CB -0.045 32.026 32.500 -0.715 0.000 0.717 31 K HN 0.299 nan 8.250 nan 0.000 0.442 32 A N 0.261 123.004 122.820 -0.129 0.000 2.072 32 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 32 A C 0.642 178.207 177.584 -0.032 0.000 1.156 32 A CA 0.530 52.527 52.037 -0.066 0.000 0.701 32 A CB 0.060 19.037 19.000 -0.038 0.000 0.816 32 A HN 0.366 nan 8.150 nan 0.000 0.458 33 N N -0.056 118.633 118.700 -0.019 0.000 2.629 33 N HA 0.264 5.003 4.740 -0.000 0.000 0.277 33 N C -3.548 171.977 175.510 0.026 0.000 1.188 33 N CA -0.952 52.101 53.050 0.005 0.000 0.835 33 N CB 1.518 40.008 38.487 0.004 0.000 1.420 33 N HN -0.134 nan 8.380 nan 0.000 0.542 34 P HA 0.166 nan 4.420 nan 0.000 0.271 34 P C -0.623 176.708 177.300 0.052 0.000 1.216 34 P CA -0.106 63.035 63.100 0.069 0.000 0.776 34 P CB 0.694 32.443 31.700 0.081 0.000 0.881 35 Q N 3.363 123.197 119.800 0.057 0.000 2.788 35 Q HA 0.191 4.531 4.340 -0.000 0.000 0.285 35 Q C -1.868 174.155 176.000 0.038 0.000 1.063 35 Q CA -1.588 54.239 55.803 0.041 0.000 0.958 35 Q CB 0.823 29.584 28.738 0.038 0.000 1.211 35 Q HN 0.340 nan 8.270 nan 0.000 0.478 36 P HA -0.126 nan 4.420 nan 0.000 0.223 36 P C 0.133 177.447 177.300 0.024 0.000 1.144 36 P CA 1.247 64.368 63.100 0.034 0.000 0.783 36 P CB 0.438 32.155 31.700 0.028 0.000 0.771 37 E N -1.977 118.229 120.200 0.011 0.000 2.876 37 E HA 0.130 4.480 4.350 -0.000 0.000 0.208 37 E C 1.059 177.655 176.600 -0.007 0.000 0.981 37 E CA -0.232 56.163 56.400 -0.009 0.000 1.174 37 E CB -0.235 29.447 29.700 -0.031 0.000 1.047 37 E HN 0.005 nan 8.360 nan 0.000 0.477 38 L N 0.571 121.802 121.223 0.013 0.000 2.265 38 L HA -0.021 4.319 4.340 -0.000 0.000 0.215 38 L C 0.573 177.457 176.870 0.024 0.000 1.117 38 L CA 1.760 56.611 54.840 0.018 0.000 0.782 38 L CB 0.116 42.192 42.059 0.029 0.000 0.914 38 L HN 0.323 nan 8.230 nan 0.000 0.441 39 L N 0.035 121.274 121.223 0.027 0.000 3.288 39 L HA 0.193 4.533 4.340 -0.000 0.000 0.293 39 L C 0.523 177.413 176.870 0.033 0.000 1.294 39 L CA -0.251 54.613 54.840 0.040 0.000 1.006 39 L CB 0.377 42.466 42.059 0.051 0.000 1.407 39 L HN 0.036 nan 8.230 nan 0.000 0.592 40 K N 0.760 121.153 120.400 -0.011 0.000 2.489 40 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 40 K C 0.189 176.794 176.600 0.008 0.000 1.000 40 K CA 0.556 56.793 56.287 -0.082 0.000 1.012 40 K CB 0.119 32.482 32.500 -0.229 0.000 0.903 40 K HN 0.367 nan 8.250 nan 0.000 0.485 41 H N 0.223 119.318 119.070 0.041 0.000 3.080 41 H HA -0.153 4.403 4.556 -0.000 0.000 0.254 41 H C -0.615 174.738 175.328 0.042 0.000 1.179 41 H CA 0.552 56.624 56.048 0.039 0.000 1.144 41 H CB -0.506 29.277 29.762 0.035 0.000 1.261 41 H HN 0.419 nan 8.280 nan 0.000 0.333 42 K N 1.304 121.792 120.400 0.146 0.000 2.182 42 K HA 0.558 4.878 4.320 -0.000 0.000 0.262 42 K C -0.149 176.501 176.600 0.084 0.000 0.957 42 K CA -0.676 55.672 56.287 0.102 0.000 0.842 42 K CB 2.888 35.439 32.500 0.084 0.000 1.099 42 K HN -0.086 nan 8.250 nan 0.000 0.438 43 V N 4.787 124.744 119.914 0.072 0.000 2.448 43 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 43 V C -0.017 176.107 176.094 0.049 0.000 1.025 43 V CA -0.804 61.533 62.300 0.061 0.000 0.859 43 V CB 1.386 33.248 31.823 0.065 0.000 0.988 43 V HN 0.603 nan 8.190 nan 0.000 0.431 44 I N 3.248 123.835 120.570 0.029 0.000 2.569 44 I HA 0.767 4.937 4.170 -0.000 0.000 0.296 44 I C 0.238 176.351 176.117 -0.008 0.000 1.028 44 I CA -0.804 60.500 61.300 0.007 0.000 1.082 44 I CB 2.125 40.119 38.000 -0.009 0.000 1.264 44 I HN 0.652 nan 8.210 nan 0.000 0.429 45 A N 3.289 126.094 122.820 -0.025 0.000 2.301 45 A HA 0.585 4.905 4.320 -0.000 0.000 0.312 45 A C -0.193 177.323 177.584 -0.112 0.000 1.182 45 A CA -0.349 51.657 52.037 -0.051 0.000 0.826 45 A CB 1.083 20.061 19.000 -0.037 0.000 1.134 45 A HN 0.599 nan 8.150 nan 0.000 0.501 46 S N 1.587 117.215 115.700 -0.120 0.000 2.516 46 S HA 0.376 4.846 4.470 -0.000 0.000 0.268 46 S C -0.835 173.606 174.600 -0.264 0.000 1.251 46 S CA -0.457 57.708 58.200 -0.059 0.000 1.153 46 S CB -0.506 62.722 63.200 0.047 0.000 1.009 46 S HN 0.709 nan 8.310 nan 0.000 0.479 47 C N 6.104 125.083 119.300 -0.534 0.000 2.176 47 C HA 0.511 4.971 4.460 -0.000 0.000 0.329 47 C C -0.519 173.896 174.990 -0.958 0.000 1.113 47 C CA -0.761 57.595 59.018 -1.103 0.000 1.562 47 C CB -1.930 25.368 27.740 -0.737 0.000 2.040 47 C HN 0.777 nan 8.230 nan 0.000 0.460 48 F N 2.603 122.123 119.950 -0.717 0.000 2.375 48 F HA 0.410 4.937 4.527 -0.000 0.000 0.361 48 F C 0.422 176.191 175.800 -0.052 0.000 1.117 48 F CA -0.851 57.022 58.000 -0.211 0.000 1.037 48 F CB 0.561 39.493 39.000 -0.114 0.000 1.192 48 F HN 0.517 nan 8.300 nan 0.000 0.452 49 F N 0.882 120.901 119.950 0.116 0.000 2.641 49 F HA 0.259 4.785 4.527 -0.000 0.000 0.302 49 F C 0.505 176.305 175.800 -0.001 0.000 1.098 49 F CA -0.166 57.886 58.000 0.087 0.000 1.318 49 F CB 0.168 39.114 39.000 -0.089 0.000 1.035 49 F HN 0.356 nan 8.300 nan 0.000 0.551 50 E N 0.375 120.713 120.200 0.230 0.000 2.375 50 E HA 0.619 4.969 4.350 -0.000 0.000 0.280 50 E C -0.972 175.754 176.600 0.210 0.000 0.972 50 E CA -0.999 55.496 56.400 0.159 0.000 0.782 50 E CB 1.809 31.571 29.700 0.103 0.000 1.229 50 E HN -0.014 nan 8.360 nan 0.000 0.439 51 A N 2.107 125.011 122.820 0.139 0.000 2.567 51 A HA 0.363 4.682 4.320 -0.000 0.000 0.240 51 A C -0.093 177.559 177.584 0.114 0.000 1.053 51 A CA 1.036 53.138 52.037 0.109 0.000 0.755 51 A CB 0.242 19.282 19.000 0.067 0.000 0.978 51 A HN 0.376 nan 8.150 nan 0.000 0.507 52 S N 1.172 116.906 115.700 0.057 0.000 2.543 52 S HA 0.566 5.035 4.470 -0.000 0.000 0.273 52 S C 0.454 175.024 174.600 -0.050 0.000 1.152 52 S CA 0.088 58.300 58.200 0.020 0.000 0.910 52 S CB 1.289 64.510 63.200 0.036 0.000 1.105 52 S HN 0.747 nan 8.310 nan 0.000 0.465 53 T N 4.036 118.580 114.554 -0.015 0.000 3.252 53 T HA 0.199 4.548 4.350 -0.000 0.000 0.233 53 T C 1.802 176.488 174.700 -0.024 0.000 0.975 53 T CA 0.278 62.362 62.100 -0.026 0.000 1.318 53 T CB -0.316 68.553 68.868 0.003 0.000 1.014 53 T HN 0.566 nan 8.240 nan 0.000 0.418 54 R N 1.015 121.530 120.500 0.024 0.000 2.082 54 R HA -0.062 4.278 4.340 -0.000 0.000 0.228 54 R C 2.767 179.094 176.300 0.046 0.000 1.140 54 R CA 2.069 58.191 56.100 0.038 0.000 0.920 54 R CB -1.015 29.330 30.300 0.076 0.000 0.828 54 R HN 0.295 nan 8.270 nan 0.000 0.430 55 T N 0.736 115.366 114.554 0.127 0.000 2.685 55 T HA -0.265 4.084 4.350 -0.000 0.000 0.268 55 T C 1.781 176.612 174.700 0.217 0.000 1.034 55 T CA 1.817 64.065 62.100 0.248 0.000 1.149 55 T CB -0.277 68.856 68.868 0.442 0.000 0.860 55 T HN 0.301 nan 8.240 nan 0.000 0.449 56 R N 0.463 120.863 120.500 -0.167 0.000 2.062 56 R HA 0.049 4.389 4.340 -0.000 0.000 0.231 56 R C 2.500 178.701 176.300 -0.165 0.000 1.136 56 R CA 1.122 56.898 56.100 -0.539 0.000 0.948 56 R CB -0.373 29.303 30.300 -1.039 0.000 0.845 56 R HN 0.359 nan 8.270 nan 0.000 0.430 57 L N 0.771 121.922 121.223 -0.120 0.000 2.056 57 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 57 L C 2.723 179.585 176.870 -0.014 0.000 1.078 57 L CA 1.496 56.304 54.840 -0.052 0.000 0.749 57 L CB -0.481 41.549 42.059 -0.047 0.000 0.901 57 L HN 0.379 nan 8.230 nan 0.000 0.433 58 S N -0.176 115.509 115.700 -0.025 0.000 2.359 58 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 58 S C 1.966 176.529 174.600 -0.062 0.000 1.035 58 S CA 1.163 59.320 58.200 -0.072 0.000 1.018 58 S CB -1.059 62.067 63.200 -0.123 0.000 0.876 58 S HN 0.288 nan 8.310 nan 0.000 0.448 59 F N 2.131 122.074 119.950 -0.012 0.000 2.095 59 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 59 F C 3.156 178.926 175.800 -0.049 0.000 1.104 59 F CA 1.777 59.778 58.000 0.000 0.000 1.232 59 F CB -0.288 38.753 39.000 0.068 0.000 0.987 59 F HN 0.247 nan 8.300 nan 0.000 0.475 60 Q N -0.769 119.115 119.800 0.139 0.000 2.119 60 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 60 Q C 2.057 178.005 176.000 -0.086 0.000 0.972 60 Q CA 1.993 57.783 55.803 -0.022 0.000 0.847 60 Q CB -0.281 28.457 28.738 -0.000 0.000 0.903 60 Q HN 0.352 nan 8.270 nan 0.000 0.433 61 T N 0.079 114.648 114.554 0.026 0.000 2.777 61 T HA -0.098 4.251 4.350 -0.000 0.000 0.266 61 T C 2.060 176.769 174.700 0.013 0.000 1.040 61 T CA 1.252 63.391 62.100 0.066 0.000 1.141 61 T CB -0.172 68.714 68.868 0.029 0.000 0.868 61 T HN 0.152 nan 8.240 nan 0.000 0.444 62 S N 1.263 116.953 115.700 -0.018 0.000 2.370 62 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 62 S C 2.102 176.711 174.600 0.015 0.000 1.033 62 S CA 1.224 59.416 58.200 -0.013 0.000 1.011 62 S CB -0.392 62.792 63.200 -0.026 0.000 0.852 62 S HN 0.417 nan 8.310 nan 0.000 0.457 63 M N 0.127 119.721 119.600 -0.011 0.000 2.086 63 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 63 M C 2.028 178.278 176.300 -0.083 0.000 1.067 63 M CA 1.647 56.912 55.300 -0.058 0.000 1.116 63 M CB -0.561 31.952 32.600 -0.145 0.000 1.348 63 M HN 0.414 nan 8.290 nan 0.000 0.407 64 H N -0.631 118.467 119.070 0.047 0.000 2.389 64 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 64 H C 2.113 177.458 175.328 0.028 0.000 1.081 64 H CA 1.002 57.069 56.048 0.033 0.000 1.345 64 H CB 0.084 29.860 29.762 0.023 0.000 1.393 64 H HN 0.252 nan 8.280 nan 0.000 0.520 65 R N 0.348 120.924 120.500 0.127 0.000 2.189 65 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 65 R C 1.418 177.761 176.300 0.071 0.000 1.092 65 R CA 0.759 56.912 56.100 0.088 0.000 0.989 65 R CB 0.056 30.395 30.300 0.064 0.000 0.876 65 R HN 0.374 nan 8.270 nan 0.000 0.457 66 L N -0.800 120.461 121.223 0.063 0.000 2.607 66 L HA 0.217 4.556 4.340 -0.000 0.000 0.228 66 L C 0.992 177.890 176.870 0.047 0.000 1.123 66 L CA 0.320 55.191 54.840 0.052 0.000 0.890 66 L CB 0.492 42.581 42.059 0.051 0.000 1.103 66 L HN 0.383 nan 8.230 nan 0.000 0.468 67 G N 0.275 109.113 108.800 0.062 0.000 2.141 67 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 67 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 67 G C 0.308 175.248 174.900 0.066 0.000 0.984 67 G CA -0.005 45.131 45.100 0.059 0.000 0.660 67 G HN 0.442 nan 8.290 nan 0.000 0.525 68 A N -0.164 122.693 122.820 0.061 0.000 2.271 68 A HA 0.850 5.170 4.320 -0.000 0.000 0.288 68 A C 0.744 178.375 177.584 0.078 0.000 1.094 68 A CA 0.671 52.742 52.037 0.058 0.000 0.828 68 A CB 0.807 19.826 19.000 0.031 0.000 1.091 68 A HN 0.967 nan 8.150 nan 0.000 0.493 69 S N -0.951 114.798 115.700 0.082 0.000 2.617 69 S HA 0.592 5.062 4.470 -0.000 0.000 0.283 69 S C -0.444 174.188 174.600 0.053 0.000 1.189 69 S CA -0.481 57.779 58.200 0.101 0.000 1.036 69 S CB 1.385 64.642 63.200 0.095 0.000 1.014 69 S HN 0.586 nan 8.310 nan 0.000 0.522 70 V N 2.501 122.456 119.914 0.069 0.000 2.735 70 V HA 0.709 4.828 4.120 -0.000 0.000 0.310 70 V C -0.453 175.671 176.094 0.049 0.000 1.061 70 V CA -0.705 61.611 62.300 0.025 0.000 0.913 70 V CB 1.729 33.540 31.823 -0.020 0.000 1.005 70 V HN 0.764 nan 8.190 nan 0.000 0.428 71 V N 0.870 120.803 119.914 0.032 0.000 2.962 71 V HA 1.151 5.271 4.120 -0.000 0.000 0.313 71 V C 0.093 176.194 176.094 0.012 0.000 1.099 71 V CA 0.174 62.498 62.300 0.041 0.000 0.971 71 V CB 1.330 33.189 31.823 0.059 0.000 1.028 71 V HN 1.369 nan 8.190 nan 0.000 0.430 72 G N 1.568 110.382 108.800 0.022 0.000 2.399 72 G HA2 0.623 4.583 3.960 -0.000 0.000 0.256 72 G HA3 0.623 4.583 3.960 -0.000 0.000 0.256 72 G C -1.587 173.330 174.900 0.028 0.000 1.236 72 G CA 0.051 45.098 45.100 -0.088 0.000 0.914 72 G HN 2.061 nan 8.290 nan 0.000 0.482 73 F N -1.828 118.111 119.950 -0.018 0.000 2.672 73 F HA 0.723 5.250 4.527 -0.000 0.000 0.311 73 F C 0.565 176.361 175.800 -0.006 0.000 1.113 73 F CA -0.395 57.582 58.000 -0.040 0.000 0.996 73 F CB 1.224 40.163 39.000 -0.102 0.000 1.286 73 F HN 0.337 nan 8.300 nan 0.000 0.441 74 S N -0.154 115.663 115.700 0.195 0.000 2.496 74 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 74 S C -0.472 174.246 174.600 0.198 0.000 0.996 74 S CA 0.758 59.040 58.200 0.138 0.000 0.927 74 S CB -0.564 62.673 63.200 0.061 0.000 0.774 74 S HN 0.793 nan 8.310 nan 0.000 0.524 75 D N -0.439 120.107 120.400 0.243 0.000 2.803 75 D HA 0.200 4.840 4.640 -0.000 0.000 0.218 75 D C 0.349 176.705 176.300 0.093 0.000 1.245 75 D CA -0.463 53.646 54.000 0.181 0.000 0.821 75 D CB 0.893 41.750 40.800 0.095 0.000 1.626 75 D HN -0.019 nan 8.370 nan 0.000 0.487 76 S N 0.516 116.239 115.700 0.039 0.000 2.442 76 S HA -0.100 4.370 4.470 -0.000 0.000 0.236 76 S C 2.104 176.634 174.600 -0.117 0.000 1.007 76 S CA 0.805 58.927 58.200 -0.130 0.000 0.965 76 S CB -0.623 62.712 63.200 0.225 0.000 0.773 76 S HN 0.751 nan 8.310 nan 0.000 0.504 77 A N 2.793 125.589 122.820 -0.039 0.000 2.067 77 A HA -0.220 4.100 4.320 -0.000 0.000 0.224 77 A C 1.980 179.529 177.584 -0.058 0.000 1.172 77 A CA 1.959 53.976 52.037 -0.034 0.000 0.662 77 A CB -0.630 18.365 19.000 -0.009 0.000 0.814 77 A HN 0.603 nan 8.150 nan 0.000 0.468 78 N N -0.969 117.675 118.700 -0.095 0.000 2.205 78 N HA 0.037 4.777 4.740 -0.000 0.000 0.201 78 N C 0.482 175.908 175.510 -0.139 0.000 1.128 78 N CA 0.871 53.867 53.050 -0.090 0.000 0.867 78 N CB 0.308 38.757 38.487 -0.062 0.000 0.996 78 N HN 0.693 nan 8.380 nan 0.000 0.503 79 T N -2.419 112.000 114.554 -0.225 0.000 2.847 79 T HA 0.270 4.620 4.350 -0.000 0.000 0.279 79 T C 1.335 175.956 174.700 -0.131 0.000 0.984 79 T CA -0.453 61.493 62.100 -0.257 0.000 0.988 79 T CB 1.404 69.960 68.868 -0.518 0.000 1.040 79 T HN -0.167 nan 8.240 nan 0.000 0.528 80 S N 0.210 115.855 115.700 -0.091 0.000 2.507 80 S HA -0.014 4.455 4.470 -0.000 0.000 0.235 80 S C 1.687 176.262 174.600 -0.041 0.000 0.988 80 S CA 0.336 58.506 58.200 -0.049 0.000 0.944 80 S CB -0.687 62.497 63.200 -0.026 0.000 0.762 80 S HN 0.630 nan 8.310 nan 0.000 0.526 81 L N 1.435 122.630 121.223 -0.047 0.000 2.049 81 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 81 L C 2.316 179.177 176.870 -0.015 0.000 1.074 81 L CA 1.420 56.251 54.840 -0.014 0.000 0.749 81 L CB -0.921 41.162 42.059 0.040 0.000 0.907 81 L HN 0.378 nan 8.230 nan 0.000 0.439 82 G N -0.600 108.182 108.800 -0.030 0.000 2.443 82 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 82 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 82 G C 1.586 176.471 174.900 -0.027 0.000 1.131 82 G CA 0.405 45.491 45.100 -0.023 0.000 0.775 82 G HN 0.217 nan 8.290 nan 0.000 0.547 83 K N -0.004 120.375 120.400 -0.035 0.000 2.329 83 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 83 K C 1.792 178.379 176.600 -0.022 0.000 1.085 83 K CA 0.389 56.660 56.287 -0.027 0.000 0.961 83 K CB 0.295 32.777 32.500 -0.029 0.000 0.971 83 K HN 0.196 nan 8.250 nan 0.000 0.502 84 K N 0.178 120.564 120.400 -0.023 0.000 2.372 84 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 84 K C 0.363 176.952 176.600 -0.018 0.000 1.022 84 K CA 0.401 56.677 56.287 -0.018 0.000 1.125 84 K CB 0.849 33.339 32.500 -0.017 0.000 0.855 84 K HN 0.258 nan 8.250 nan 0.000 0.524 85 G N 2.917 111.705 108.800 -0.019 0.000 2.198 85 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 85 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 85 G C -0.309 174.576 174.900 -0.025 0.000 1.042 85 G CA 0.205 45.293 45.100 -0.020 0.000 0.791 85 G HN 0.485 nan 8.290 nan 0.000 0.502 86 E N 1.028 121.214 120.200 -0.024 0.000 2.354 86 E HA 0.472 4.821 4.350 -0.000 0.000 0.269 86 E C 1.311 177.884 176.600 -0.044 0.000 1.036 86 E CA 0.099 56.480 56.400 -0.031 0.000 0.876 86 E CB 0.431 30.118 29.700 -0.023 0.000 1.009 86 E HN 0.441 nan 8.360 nan 0.000 0.416 87 T N 1.955 116.466 114.554 -0.071 0.000 2.898 87 T HA 0.013 4.363 4.350 -0.000 0.000 0.301 87 T C 1.140 175.765 174.700 -0.125 0.000 1.049 87 T CA -0.723 61.313 62.100 -0.108 0.000 1.095 87 T CB 0.921 69.698 68.868 -0.153 0.000 0.976 87 T HN 0.552 nan 8.240 nan 0.000 0.539 88 L N 1.999 123.131 121.223 -0.151 0.000 2.131 88 L HA 0.098 4.438 4.340 -0.000 0.000 0.210 88 L C 2.632 179.356 176.870 -0.243 0.000 1.092 88 L CA 2.156 56.901 54.840 -0.158 0.000 0.759 88 L CB -1.434 40.484 42.059 -0.234 0.000 0.903 88 L HN 0.934 nan 8.230 nan 0.000 0.435 89 A N -0.723 121.838 122.820 -0.432 0.000 1.902 89 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 89 A C 1.976 179.255 177.584 -0.509 0.000 1.181 89 A CA 1.922 53.442 52.037 -0.861 0.000 0.623 89 A CB -0.770 17.444 19.000 -1.311 0.000 0.818 89 A HN 0.512 nan 8.150 nan 0.000 0.443 90 D N -0.664 119.566 120.400 -0.283 0.000 2.149 90 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 90 D C 2.049 178.306 176.300 -0.072 0.000 0.972 90 D CA 1.690 55.609 54.000 -0.134 0.000 0.835 90 D CB -0.727 40.020 40.800 -0.088 0.000 0.966 90 D HN 0.397 nan 8.370 nan 0.000 0.476 91 T N 1.452 115.979 114.554 -0.045 0.000 2.665 91 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 91 T C 1.968 176.695 174.700 0.044 0.000 1.035 91 T CA 0.668 62.790 62.100 0.037 0.000 1.151 91 T CB -0.035 68.907 68.868 0.123 0.000 0.862 91 T HN 0.107 nan 8.240 nan 0.000 0.438 92 I N 1.457 122.040 120.570 0.022 0.000 2.202 92 I HA -0.096 4.074 4.170 -0.000 0.000 0.242 92 I C 2.674 178.800 176.117 0.014 0.000 1.091 92 I CA 1.035 62.359 61.300 0.041 0.000 1.368 92 I CB -1.471 36.565 38.000 0.060 0.000 1.058 92 I HN 0.204 nan 8.210 nan 0.000 0.410 93 S N 1.488 117.203 115.700 0.025 0.000 2.378 93 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 93 S C 2.167 176.717 174.600 -0.083 0.000 1.052 93 S CA 2.233 60.443 58.200 0.016 0.000 1.084 93 S CB -0.896 62.327 63.200 0.039 0.000 0.950 93 S HN 0.500 nan 8.310 nan 0.000 0.440 94 V N 0.374 120.211 119.914 -0.127 0.000 2.307 94 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 94 V C 1.976 177.745 176.094 -0.542 0.000 1.045 94 V CA 1.491 63.614 62.300 -0.295 0.000 1.024 94 V CB -1.003 30.704 31.823 -0.193 0.000 0.651 94 V HN 0.445 nan 8.190 nan 0.000 0.449 95 I N 2.331 122.724 120.570 -0.294 0.000 2.361 95 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 95 I C 2.756 178.751 176.117 -0.204 0.000 1.133 95 I CA 1.797 62.953 61.300 -0.239 0.000 1.413 95 I CB -0.411 37.595 38.000 0.009 0.000 1.073 95 I HN 0.491 nan 8.210 nan 0.000 0.424 96 S N -0.341 115.276 115.700 -0.139 0.000 2.442 96 S HA -0.172 4.298 4.470 -0.000 0.000 0.236 96 S C 1.897 176.437 174.600 -0.100 0.000 1.007 96 S CA 1.511 59.665 58.200 -0.076 0.000 0.965 96 S CB -1.111 62.069 63.200 -0.032 0.000 0.773 96 S HN 0.622 nan 8.310 nan 0.000 0.504 97 T N -2.094 112.329 114.554 -0.219 0.000 3.148 97 T HA 0.170 4.520 4.350 -0.000 0.000 0.253 97 T C 0.992 175.719 174.700 0.046 0.000 1.134 97 T CA 0.074 62.105 62.100 -0.114 0.000 1.051 97 T CB -0.397 68.393 68.868 -0.129 0.000 0.959 97 T HN 0.441 nan 8.240 nan 0.000 0.525 98 Y N 1.367 121.686 120.300 0.032 0.000 2.539 98 Y HA 0.462 5.012 4.550 -0.000 0.000 0.284 98 Y C 1.328 177.244 175.900 0.027 0.000 1.134 98 Y CA -1.160 56.957 58.100 0.029 0.000 1.251 98 Y CB -0.347 38.132 38.460 0.033 0.000 1.260 98 Y HN 0.289 nan 8.280 nan 0.000 0.528 99 V N -2.044 117.970 119.914 0.168 0.000 3.177 99 V HA 0.508 4.628 4.120 -0.000 0.000 0.319 99 V C 0.303 176.435 176.094 0.063 0.000 1.125 99 V CA -0.682 61.681 62.300 0.104 0.000 1.029 99 V CB 1.881 33.757 31.823 0.087 0.000 1.119 99 V HN -0.043 nan 8.190 nan 0.000 0.452 100 D N 0.853 121.285 120.400 0.054 0.000 2.346 100 D HA 0.504 5.144 4.640 -0.000 0.000 0.206 100 D C 0.574 176.891 176.300 0.029 0.000 1.001 100 D CA 1.524 55.550 54.000 0.044 0.000 0.871 100 D CB 0.925 41.757 40.800 0.054 0.000 0.943 100 D HN 1.034 nan 8.370 nan 0.000 0.518 101 A N 0.127 122.959 122.820 0.020 0.000 2.594 101 A HA 0.623 4.942 4.320 -0.000 0.000 0.296 101 A C -1.593 175.978 177.584 -0.021 0.000 1.061 101 A CA -0.644 51.395 52.037 0.004 0.000 0.689 101 A CB 1.055 20.055 19.000 0.001 0.000 1.280 101 A HN 0.001 nan 8.150 nan 0.000 0.406 102 I N 1.660 122.207 120.570 -0.038 0.000 2.447 102 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 102 I C -0.838 175.199 176.117 -0.132 0.000 1.023 102 I CA -1.021 60.235 61.300 -0.073 0.000 1.083 102 I CB 1.971 39.945 38.000 -0.044 0.000 1.245 102 I HN 0.324 nan 8.210 nan 0.000 0.434 103 V N 7.296 127.079 119.914 -0.219 0.000 2.398 103 V HA 0.527 4.646 4.120 -0.000 0.000 0.286 103 V C 0.058 175.932 176.094 -0.366 0.000 1.026 103 V CA -0.449 61.646 62.300 -0.342 0.000 0.868 103 V CB 1.462 32.958 31.823 -0.546 0.000 0.982 103 V HN 0.766 nan 8.190 nan 0.000 0.443 104 M N 4.035 123.433 119.600 -0.337 0.000 2.501 104 M HA 0.847 5.327 4.480 -0.000 0.000 0.293 104 M C -0.979 175.074 176.300 -0.411 0.000 1.192 104 M CA -0.913 54.154 55.300 -0.389 0.000 0.886 104 M CB 2.573 35.130 32.600 -0.072 0.000 1.710 104 M HN 0.455 nan 8.290 nan 0.000 0.457 105 R N 1.202 121.367 120.500 -0.557 0.000 2.589 105 R HA 0.639 4.979 4.340 -0.000 0.000 0.293 105 R C -1.779 174.577 176.300 0.093 0.000 0.963 105 R CA -0.173 55.774 56.100 -0.256 0.000 0.905 105 R CB 1.213 31.336 30.300 -0.294 0.000 1.144 105 R HN 0.860 nan 8.270 nan 0.000 0.459 106 H N 4.630 123.697 119.070 -0.004 0.000 3.038 106 H HA 0.253 4.809 4.556 -0.000 0.000 0.362 106 H C -2.284 173.036 175.328 -0.013 0.000 1.167 106 H CA -1.902 54.141 56.048 -0.007 0.000 1.197 106 H CB 2.758 32.434 29.762 -0.142 0.000 1.840 106 H HN 0.488 nan 8.280 nan 0.000 0.540 107 P HA -0.115 nan 4.420 nan 0.000 0.220 107 P C -0.129 177.248 177.300 0.129 0.000 1.148 107 P CA 0.953 64.079 63.100 0.044 0.000 0.803 107 P CB 0.960 32.631 31.700 -0.049 0.000 0.782 108 Q N 0.240 120.195 119.800 0.258 0.000 2.230 108 Q HA 0.247 4.587 4.340 -0.000 0.000 0.253 108 Q C -0.444 175.594 176.000 0.064 0.000 0.919 108 Q CA -0.545 55.335 55.803 0.128 0.000 0.908 108 Q CB 0.949 29.739 28.738 0.087 0.000 1.245 108 Q HN -0.005 nan 8.270 nan 0.000 0.437 109 E N 0.448 120.672 120.200 0.041 0.000 2.290 109 E HA 0.352 4.701 4.350 -0.000 0.000 0.277 109 E C 0.613 177.197 176.600 -0.026 0.000 1.035 109 E CA 0.932 57.346 56.400 0.024 0.000 0.873 109 E CB 0.702 30.426 29.700 0.040 0.000 1.029 109 E HN 0.823 nan 8.360 nan 0.000 0.419 110 G N 2.285 111.060 108.800 -0.041 0.000 2.201 110 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.212 110 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.212 110 G C 1.192 176.022 174.900 -0.116 0.000 0.994 110 G CA 0.312 45.372 45.100 -0.067 0.000 0.644 110 G HN 0.648 nan 8.290 nan 0.000 0.508 111 A N 0.672 123.377 122.820 -0.193 0.000 1.948 111 A HA 0.264 4.584 4.320 -0.000 0.000 0.220 111 A C 2.832 180.288 177.584 -0.214 0.000 1.177 111 A CA 3.054 54.892 52.037 -0.332 0.000 0.636 111 A CB -0.881 17.691 19.000 -0.713 0.000 0.815 111 A HN 1.869 nan 8.150 nan 0.000 0.449 112 A N -0.383 122.357 122.820 -0.134 0.000 1.877 112 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 112 A C 2.216 179.737 177.584 -0.104 0.000 1.186 112 A CA 1.997 53.975 52.037 -0.098 0.000 0.620 112 A CB -0.454 18.512 19.000 -0.056 0.000 0.822 112 A HN 0.536 nan 8.150 nan 0.000 0.443 113 R N -0.549 119.900 120.500 -0.084 0.000 2.096 113 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 113 R C 2.102 178.359 176.300 -0.072 0.000 1.127 113 R CA 1.267 57.320 56.100 -0.079 0.000 0.968 113 R CB -0.368 29.898 30.300 -0.055 0.000 0.861 113 R HN 0.482 nan 8.270 nan 0.000 0.440 114 L N 0.392 121.582 121.223 -0.054 0.000 1.989 114 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 114 L C 2.078 179.007 176.870 0.099 0.000 1.071 114 L CA 2.455 57.307 54.840 0.020 0.000 0.749 114 L CB -1.418 40.614 42.059 -0.045 0.000 0.890 114 L HN 0.361 nan 8.230 nan 0.000 0.431 115 A N -0.142 122.680 122.820 0.003 0.000 1.917 115 A HA -0.294 4.025 4.320 -0.000 0.000 0.219 115 A C 2.322 179.896 177.584 -0.018 0.000 1.182 115 A CA 2.985 55.038 52.037 0.027 0.000 0.633 115 A CB -1.290 17.679 19.000 -0.052 0.000 0.819 115 A HN 0.711 nan 8.150 nan 0.000 0.448 116 T N -1.938 112.506 114.554 -0.183 0.000 2.833 116 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 116 T C 1.452 176.017 174.700 -0.224 0.000 1.054 116 T CA 1.583 63.466 62.100 -0.361 0.000 1.135 116 T CB -0.516 67.987 68.868 -0.608 0.000 0.869 116 T HN 0.644 nan 8.240 nan 0.000 0.466 117 E N 0.004 120.067 120.200 -0.229 0.000 2.401 117 E HA 0.015 4.365 4.350 -0.000 0.000 0.199 117 E C 0.935 177.053 176.600 -0.804 0.000 1.023 117 E CA 0.882 56.997 56.400 -0.474 0.000 0.859 117 E CB -0.187 29.182 29.700 -0.553 0.000 0.780 117 E HN 0.688 nan 8.360 nan 0.000 0.523 118 F N -1.209 118.696 119.950 -0.075 0.000 2.752 118 F HA 0.068 4.595 4.527 -0.000 0.000 0.310 118 F C 2.132 177.900 175.800 -0.054 0.000 1.097 118 F CA 0.099 58.064 58.000 -0.059 0.000 1.238 118 F CB 0.466 39.430 39.000 -0.060 0.000 1.061 118 F HN -0.082 nan 8.300 nan 0.000 0.591 119 S N -0.619 115.100 115.700 0.031 0.000 2.607 119 S HA 0.353 4.823 4.470 -0.000 0.000 0.224 119 S C 1.770 176.381 174.600 0.019 0.000 0.969 119 S CA 0.472 58.688 58.200 0.026 0.000 0.927 119 S CB -0.659 62.544 63.200 0.004 0.000 0.772 119 S HN 0.573 nan 8.310 nan 0.000 0.533 120 G N 3.206 112.005 108.800 -0.002 0.000 2.595 120 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.297 120 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.297 120 G C 0.460 175.369 174.900 0.016 0.000 1.181 120 G CA 0.465 45.562 45.100 -0.005 0.000 0.963 120 G HN 0.621 nan 8.290 nan 0.000 0.541 121 N N -0.023 118.683 118.700 0.010 0.000 2.220 121 N HA 0.397 5.137 4.740 -0.000 0.000 0.195 121 N C 0.271 175.786 175.510 0.008 0.000 1.123 121 N CA 0.456 53.503 53.050 -0.006 0.000 0.874 121 N CB 1.103 39.576 38.487 -0.023 0.000 0.995 121 N HN 0.478 nan 8.380 nan 0.000 0.498 122 V N 2.946 122.884 119.914 0.040 0.000 2.508 122 V HA 0.171 4.291 4.120 -0.000 0.000 0.281 122 V C -2.026 174.140 176.094 0.121 0.000 1.041 122 V CA -1.506 60.821 62.300 0.045 0.000 1.016 122 V CB 0.894 32.735 31.823 0.030 0.000 0.984 122 V HN 0.014 nan 8.190 nan 0.000 0.478 123 P HA 0.116 nan 4.420 nan 0.000 0.268 123 P C -0.713 176.690 177.300 0.171 0.000 1.204 123 P CA 0.159 63.353 63.100 0.157 0.000 0.768 123 P CB 0.545 32.254 31.700 0.015 0.000 0.842 124 V N 5.240 125.321 119.914 0.279 0.000 2.459 124 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 124 V C -0.021 176.105 176.094 0.053 0.000 1.029 124 V CA -0.454 61.868 62.300 0.036 0.000 0.874 124 V CB 1.453 33.192 31.823 -0.141 0.000 0.985 124 V HN 0.302 nan 8.190 nan 0.000 0.438 125 L N 4.047 125.260 121.223 -0.017 0.000 2.356 125 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 125 L C -0.009 176.843 176.870 -0.029 0.000 0.996 125 L CA -0.294 54.548 54.840 0.003 0.000 0.822 125 L CB 1.672 43.717 42.059 -0.024 0.000 1.256 125 L HN 0.549 nan 8.230 nan 0.000 0.413 126 N N 1.917 120.642 118.700 0.041 0.000 2.401 126 N HA 0.335 5.075 4.740 -0.000 0.000 0.255 126 N C 0.462 176.045 175.510 0.122 0.000 1.110 126 N CA 0.170 53.247 53.050 0.045 0.000 0.949 126 N CB 1.693 40.218 38.487 0.063 0.000 1.110 126 N HN 0.724 nan 8.380 nan 0.000 0.490 127 A N 2.385 125.234 122.820 0.048 0.000 2.238 127 A HA 0.470 4.790 4.320 -0.000 0.000 0.210 127 A C 0.715 178.286 177.584 -0.021 0.000 1.179 127 A CA 0.493 52.621 52.037 0.152 0.000 0.827 127 A CB -0.369 18.662 19.000 0.052 0.000 0.856 127 A HN 0.814 nan 8.150 nan 0.000 0.488 128 G N 0.883 109.644 108.800 -0.065 0.000 2.196 128 G HA2 0.371 4.331 3.960 -0.000 0.000 0.215 128 G HA3 0.371 4.331 3.960 -0.000 0.000 0.215 128 G C -1.799 173.081 174.900 -0.033 0.000 1.640 128 G CA -0.216 44.785 45.100 -0.166 0.000 0.946 128 G HN 0.342 nan 8.290 nan 0.000 0.710 129 D N 1.874 122.286 120.400 0.020 0.000 2.464 129 D HA 0.589 5.229 4.640 -0.000 0.000 0.243 129 D C 1.199 177.542 176.300 0.072 0.000 1.104 129 D CA 0.462 54.489 54.000 0.046 0.000 0.883 129 D CB 0.768 41.581 40.800 0.022 0.000 1.050 129 D HN 1.743 nan 8.370 nan 0.000 0.524 130 G N 3.189 112.039 108.800 0.084 0.000 2.611 130 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.301 130 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.301 130 G C 0.762 175.735 174.900 0.122 0.000 1.233 130 G CA 0.848 46.008 45.100 0.100 0.000 0.993 130 G HN 1.132 nan 8.290 nan 0.000 0.553 131 S N 0.737 116.543 115.700 0.177 0.000 2.572 131 S HA 0.238 4.708 4.470 -0.000 0.000 0.228 131 S C 1.344 176.108 174.600 0.273 0.000 0.963 131 S CA 0.979 59.319 58.200 0.234 0.000 0.939 131 S CB 0.511 63.936 63.200 0.375 0.000 0.804 131 S HN 0.791 nan 8.310 nan 0.000 0.480 132 N N 1.867 120.698 118.700 0.218 0.000 2.202 132 N HA 0.049 4.789 4.740 -0.000 0.000 0.191 132 N C 0.243 175.918 175.510 0.275 0.000 1.054 132 N CA 1.227 54.428 53.050 0.251 0.000 0.877 132 N CB 0.012 38.572 38.487 0.122 0.000 1.057 132 N HN 0.274 nan 8.380 nan 0.000 0.456 133 Q N -0.917 118.993 119.800 0.182 0.000 2.433 133 Q HA 0.247 4.587 4.340 -0.000 0.000 0.279 133 Q C -1.284 174.850 176.000 0.224 0.000 1.105 133 Q CA -0.477 55.440 55.803 0.190 0.000 0.815 133 Q CB 1.886 30.711 28.738 0.145 0.000 1.403 133 Q HN 0.494 nan 8.270 nan 0.000 0.435 134 H N 1.795 120.931 119.070 0.111 0.000 2.643 134 H HA 0.217 4.773 4.556 -0.000 0.000 0.229 134 H C -2.167 173.237 175.328 0.128 0.000 1.410 134 H CA -1.761 54.360 56.048 0.122 0.000 1.458 134 H CB 0.757 30.590 29.762 0.118 0.000 1.792 134 H HN 0.275 nan 8.280 nan 0.000 0.563 135 P HA -0.120 nan 4.420 nan 0.000 0.219 135 P C 1.393 178.762 177.300 0.114 0.000 1.150 135 P CA 1.370 64.560 63.100 0.150 0.000 0.814 135 P CB 0.300 32.090 31.700 0.150 0.000 0.787 136 T N -2.150 112.497 114.554 0.154 0.000 2.777 136 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 136 T C 2.146 176.832 174.700 -0.023 0.000 1.040 136 T CA 1.289 63.455 62.100 0.111 0.000 1.141 136 T CB -1.052 67.974 68.868 0.264 0.000 0.868 136 T HN 0.008 nan 8.240 nan 0.000 0.444 137 Q N 1.574 121.245 119.800 -0.215 0.000 2.045 137 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 137 Q C 2.372 178.337 176.000 -0.059 0.000 0.991 137 Q CA 2.584 58.221 55.803 -0.277 0.000 0.851 137 Q CB -1.268 27.046 28.738 -0.708 0.000 0.911 137 Q HN 0.592 nan 8.270 nan 0.000 0.418 138 T N 1.017 115.555 114.554 -0.027 0.000 2.684 138 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 138 T C 1.732 176.475 174.700 0.073 0.000 1.036 138 T CA 1.510 63.633 62.100 0.039 0.000 1.148 138 T CB -0.328 68.573 68.868 0.054 0.000 0.863 138 T HN 0.245 nan 8.240 nan 0.000 0.436 139 L N 0.831 122.098 121.223 0.073 0.000 2.042 139 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 139 L C 2.509 179.453 176.870 0.123 0.000 1.076 139 L CA 1.258 56.153 54.840 0.092 0.000 0.749 139 L CB -0.806 41.294 42.059 0.068 0.000 0.893 139 L HN 0.346 nan 8.230 nan 0.000 0.432 140 L N -3.057 118.232 121.223 0.111 0.000 2.217 140 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 140 L C 1.875 178.877 176.870 0.220 0.000 1.107 140 L CA 1.467 56.422 54.840 0.191 0.000 0.783 140 L CB -0.803 41.333 42.059 0.129 0.000 0.919 140 L HN 0.070 nan 8.230 nan 0.000 0.442 141 D N 0.964 121.465 120.400 0.168 0.000 2.117 141 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 141 D C 2.384 178.765 176.300 0.136 0.000 0.982 141 D CA 1.625 55.732 54.000 0.178 0.000 0.828 141 D CB -0.162 40.741 40.800 0.171 0.000 0.967 141 D HN 0.432 nan 8.370 nan 0.000 0.464 142 L N -0.007 121.287 121.223 0.117 0.000 2.083 142 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 142 L C 2.467 179.423 176.870 0.143 0.000 1.083 142 L CA 0.785 55.670 54.840 0.076 0.000 0.752 142 L CB -0.424 41.679 42.059 0.074 0.000 0.899 142 L HN -0.017 nan 8.230 nan 0.000 0.433 143 F N 0.669 120.646 119.950 0.045 0.000 2.102 143 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 143 F C 2.554 178.398 175.800 0.073 0.000 1.105 143 F CA 1.839 59.876 58.000 0.062 0.000 1.239 143 F CB -0.047 39.010 39.000 0.095 0.000 0.991 143 F HN -0.028 nan 8.300 nan 0.000 0.474 144 T N 1.390 115.961 114.554 0.029 0.000 2.720 144 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 144 T C 1.900 176.575 174.700 -0.043 0.000 1.037 144 T CA 1.910 64.010 62.100 -0.001 0.000 1.144 144 T CB -0.468 68.499 68.868 0.164 0.000 0.864 144 T HN 0.265 nan 8.240 nan 0.000 0.444 145 I N 0.737 121.298 120.570 -0.015 0.000 2.202 145 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 145 I C 2.825 178.880 176.117 -0.103 0.000 1.091 145 I CA 1.259 62.524 61.300 -0.059 0.000 1.368 145 I CB -0.389 37.580 38.000 -0.053 0.000 1.058 145 I HN 0.201 nan 8.210 nan 0.000 0.410 146 Q N 1.079 120.824 119.800 -0.090 0.000 2.045 146 Q HA -0.328 4.012 4.340 -0.000 0.000 0.206 146 Q C 2.197 178.126 176.000 -0.119 0.000 0.991 146 Q CA 2.222 57.973 55.803 -0.086 0.000 0.851 146 Q CB -0.341 28.389 28.738 -0.013 0.000 0.911 146 Q HN 0.431 nan 8.270 nan 0.000 0.418 147 Q N -1.225 118.467 119.800 -0.180 0.000 2.096 147 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 147 Q C 1.831 177.715 176.000 -0.193 0.000 0.982 147 Q CA 2.258 57.930 55.803 -0.218 0.000 0.850 147 Q CB -0.076 28.462 28.738 -0.333 0.000 0.901 147 Q HN 0.720 nan 8.270 nan 0.000 0.422 148 T N -2.406 112.011 114.554 -0.228 0.000 2.939 148 T HA 0.041 4.391 4.350 -0.000 0.000 0.254 148 T C 1.407 175.979 174.700 -0.213 0.000 1.041 148 T CA 0.543 62.464 62.100 -0.298 0.000 1.142 148 T CB 0.006 68.593 68.868 -0.469 0.000 0.874 148 T HN 0.135 nan 8.240 nan 0.000 0.452 149 E N 1.264 121.367 120.200 -0.161 0.000 2.400 149 E HA 0.226 4.576 4.350 -0.000 0.000 0.195 149 E C 1.776 178.319 176.600 -0.096 0.000 1.012 149 E CA 0.656 56.983 56.400 -0.121 0.000 0.875 149 E CB -0.262 29.376 29.700 -0.103 0.000 0.859 149 E HN 0.724 nan 8.360 nan 0.000 0.498 150 G N 2.551 111.295 108.800 -0.094 0.000 2.153 150 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.252 150 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.252 150 G C 0.219 175.085 174.900 -0.057 0.000 0.994 150 G CA 0.831 45.890 45.100 -0.068 0.000 0.698 150 G HN 0.370 nan 8.290 nan 0.000 0.521 151 R N -1.819 118.636 120.500 -0.074 0.000 2.663 151 R HA 0.681 5.020 4.340 -0.000 0.000 0.267 151 R C -0.158 176.061 176.300 -0.135 0.000 1.038 151 R CA -1.194 54.861 56.100 -0.076 0.000 0.886 151 R CB 0.641 30.908 30.300 -0.054 0.000 1.249 151 R HN 0.117 nan 8.270 nan 0.000 0.463 152 L N 0.557 121.663 121.223 -0.194 0.000 2.959 152 L HA 0.357 4.697 4.340 -0.000 0.000 0.259 152 L C -0.949 175.759 176.870 -0.269 0.000 1.185 152 L CA 0.011 54.618 54.840 -0.389 0.000 0.998 152 L CB 0.382 41.949 42.059 -0.820 0.000 1.337 152 L HN 0.689 nan 8.230 nan 0.000 0.555 153 D N -0.977 119.371 120.400 -0.087 0.000 2.527 153 D HA 0.294 4.934 4.640 -0.000 0.000 0.233 153 D C -0.249 176.031 176.300 -0.034 0.000 1.063 153 D CA -0.631 53.373 54.000 0.006 0.000 0.880 153 D CB 0.935 41.776 40.800 0.070 0.000 1.457 153 D HN -0.037 nan 8.370 nan 0.000 0.475 154 N N -0.089 118.585 118.700 -0.043 0.000 2.740 154 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 154 N C -0.983 174.491 175.510 -0.060 0.000 1.062 154 N CA 0.047 53.062 53.050 -0.058 0.000 0.704 154 N CB -1.014 37.466 38.487 -0.012 0.000 0.968 154 N HN 0.320 nan 8.380 nan 0.000 0.547 155 L N -0.164 120.983 121.223 -0.127 0.000 2.400 155 L HA 0.435 4.775 4.340 -0.000 0.000 0.264 155 L C 0.718 177.454 176.870 -0.224 0.000 1.061 155 L CA -0.756 54.033 54.840 -0.085 0.000 0.799 155 L CB 0.806 42.796 42.059 -0.115 0.000 1.240 155 L HN 0.218 nan 8.230 nan 0.000 0.461 156 H N 0.875 119.888 119.070 -0.094 0.000 2.685 156 H HA 0.381 4.937 4.556 -0.000 0.000 0.307 156 H C -1.206 174.124 175.328 0.003 0.000 1.017 156 H CA -0.433 55.615 56.048 0.000 0.000 1.237 156 H CB 1.726 31.549 29.762 0.102 0.000 1.409 156 H HN 0.159 nan 8.280 nan 0.000 0.488 157 V N 2.694 122.596 119.914 -0.021 0.000 2.417 157 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 157 V C 0.240 176.453 176.094 0.197 0.000 1.024 157 V CA -0.800 61.516 62.300 0.026 0.000 0.861 157 V CB 1.392 33.149 31.823 -0.109 0.000 0.985 157 V HN 0.820 nan 8.190 nan 0.000 0.436 158 A N 6.465 129.398 122.820 0.189 0.000 2.304 158 A HA 0.902 5.222 4.320 -0.000 0.000 0.323 158 A C -0.466 177.247 177.584 0.216 0.000 1.195 158 A CA -0.596 51.558 52.037 0.195 0.000 0.826 158 A CB 0.910 19.948 19.000 0.063 0.000 1.184 158 A HN 0.824 nan 8.150 nan 0.000 0.496 159 M N 3.047 122.810 119.600 0.271 0.000 2.181 159 M HA 0.399 4.879 4.480 -0.000 0.000 0.323 159 M C -1.207 175.228 176.300 0.225 0.000 1.004 159 M CA -0.524 54.963 55.300 0.311 0.000 0.941 159 M CB 1.852 34.696 32.600 0.407 0.000 1.579 159 M HN 0.351 nan 8.290 nan 0.000 0.427 160 V N 2.825 122.821 119.914 0.136 0.000 2.448 160 V HA 0.972 5.092 4.120 -0.000 0.000 0.295 160 V C 0.415 176.552 176.094 0.073 0.000 1.025 160 V CA -0.137 62.183 62.300 0.034 0.000 0.859 160 V CB 1.079 32.892 31.823 -0.017 0.000 0.988 160 V HN 1.139 nan 8.190 nan 0.000 0.431 161 G N 4.212 113.081 108.800 0.114 0.000 2.292 161 G HA2 0.025 3.985 3.960 -0.000 0.000 0.194 161 G HA3 0.025 3.985 3.960 -0.000 0.000 0.194 161 G C -1.291 173.700 174.900 0.152 0.000 1.329 161 G CA -0.186 45.002 45.100 0.147 0.000 1.100 161 G HN 0.631 nan 8.290 nan 0.000 0.470 162 D N 1.657 122.130 120.400 0.123 0.000 2.500 162 D HA 0.446 5.086 4.640 -0.000 0.000 0.219 162 D C 1.742 178.092 176.300 0.084 0.000 1.137 162 D CA -0.433 53.644 54.000 0.128 0.000 0.946 162 D CB 0.057 40.954 40.800 0.162 0.000 1.022 162 D HN 0.347 nan 8.370 nan 0.000 0.518 163 L N 2.440 123.688 121.223 0.042 0.000 2.376 163 L HA -0.009 4.330 4.340 -0.000 0.000 0.219 163 L C 2.346 179.212 176.870 -0.007 0.000 1.133 163 L CA 0.396 55.224 54.840 -0.019 0.000 0.816 163 L CB -0.127 41.870 42.059 -0.103 0.000 0.933 163 L HN 0.316 nan 8.230 nan 0.000 0.449 164 K N 0.423 120.800 120.400 -0.038 0.000 2.001 164 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 164 K C 1.653 178.188 176.600 -0.108 0.000 1.048 164 K CA 1.624 57.819 56.287 -0.153 0.000 0.932 164 K CB -0.015 32.282 32.500 -0.338 0.000 0.715 164 K HN 0.181 nan 8.250 nan 0.000 0.437 165 Y N -0.296 120.078 120.300 0.124 0.000 2.457 165 Y HA 0.245 4.795 4.550 -0.000 0.000 0.263 165 Y C 0.923 176.822 175.900 -0.003 0.000 1.164 165 Y CA -0.099 58.069 58.100 0.113 0.000 1.274 165 Y CB 0.657 39.166 38.460 0.081 0.000 1.097 165 Y HN 0.030 nan 8.280 nan 0.000 0.523 166 G N 1.447 110.231 108.800 -0.027 0.000 2.588 166 G HA2 0.112 4.072 3.960 -0.000 0.000 0.297 166 G HA3 0.112 4.072 3.960 -0.000 0.000 0.297 166 G C 0.925 175.460 174.900 -0.609 0.000 0.874 166 G CA -0.529 44.465 45.100 -0.175 0.000 1.607 166 G HN 0.533 nan 8.290 nan 0.000 0.486 167 R N 1.240 121.541 120.500 -0.332 0.000 2.139 167 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 167 R C 2.265 178.545 176.300 -0.034 0.000 1.145 167 R CA 1.980 57.974 56.100 -0.177 0.000 0.976 167 R CB -1.084 29.266 30.300 0.084 0.000 0.866 167 R HN 0.484 nan 8.270 nan 0.000 0.449 168 T N 0.140 114.723 114.554 0.049 0.000 2.701 168 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 168 T C 2.166 176.894 174.700 0.047 0.000 1.040 168 T CA 1.412 63.583 62.100 0.117 0.000 1.147 168 T CB -0.736 68.260 68.868 0.214 0.000 0.865 168 T HN 0.263 nan 8.240 nan 0.000 0.426 169 V N -0.098 119.815 119.914 -0.001 0.000 2.667 169 V HA -0.068 4.052 4.120 -0.000 0.000 0.252 169 V C 2.321 178.410 176.094 -0.008 0.000 1.065 169 V CA 1.490 63.776 62.300 -0.024 0.000 1.083 169 V CB -1.534 30.296 31.823 0.012 0.000 0.692 169 V HN 0.634 nan 8.190 nan 0.000 0.468 170 H N 0.714 119.772 119.070 -0.020 0.000 2.326 170 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 170 H C 2.694 178.025 175.328 0.004 0.000 1.081 170 H CA 1.442 57.470 56.048 -0.033 0.000 1.334 170 H CB -0.042 29.741 29.762 0.035 0.000 1.385 170 H HN 0.445 nan 8.280 nan 0.000 0.504 171 S N 0.665 116.454 115.700 0.149 0.000 2.355 171 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 171 S C 2.093 176.732 174.600 0.066 0.000 1.031 171 S CA 0.707 58.973 58.200 0.110 0.000 0.993 171 S CB -0.237 63.034 63.200 0.117 0.000 0.859 171 S HN 0.136 nan 8.310 nan 0.000 0.453 172 L N 1.846 123.083 121.223 0.022 0.000 2.042 172 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 172 L C 2.245 179.131 176.870 0.027 0.000 1.076 172 L CA 1.901 56.736 54.840 -0.009 0.000 0.749 172 L CB -1.402 40.564 42.059 -0.156 0.000 0.893 172 L HN 0.262 nan 8.230 nan 0.000 0.432 173 T N -1.190 113.349 114.554 -0.025 0.000 2.867 173 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 173 T C 1.793 176.464 174.700 -0.047 0.000 1.057 173 T CA 1.313 63.343 62.100 -0.117 0.000 1.136 173 T CB -0.116 68.574 68.868 -0.296 0.000 0.874 173 T HN 0.470 nan 8.240 nan 0.000 0.466 174 Q N 0.656 120.456 119.800 0.000 0.000 2.079 174 Q HA 0.036 4.375 4.340 -0.000 0.000 0.200 174 Q C 2.771 178.824 176.000 0.088 0.000 0.974 174 Q CA 1.304 57.127 55.803 0.034 0.000 0.840 174 Q CB -0.292 28.474 28.738 0.047 0.000 0.898 174 Q HN 0.561 nan 8.270 nan 0.000 0.430 175 A N 0.990 123.885 122.820 0.126 0.000 1.873 175 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 175 A C 2.033 179.830 177.584 0.355 0.000 1.186 175 A CA 1.035 53.194 52.037 0.203 0.000 0.616 175 A CB -0.624 18.495 19.000 0.199 0.000 0.823 175 A HN 0.277 nan 8.150 nan 0.000 0.442 176 L N -0.731 120.707 121.223 0.358 0.000 2.291 176 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 176 L C 2.742 179.902 176.870 0.484 0.000 1.120 176 L CA 0.644 55.775 54.840 0.485 0.000 0.799 176 L CB -0.323 41.995 42.059 0.433 0.000 0.925 176 L HN 0.430 nan 8.230 nan 0.000 0.446 177 A N -0.122 122.896 122.820 0.331 0.000 2.209 177 A HA -0.106 4.214 4.320 -0.000 0.000 0.212 177 A C 1.975 179.637 177.584 0.130 0.000 1.158 177 A CA 0.839 53.021 52.037 0.241 0.000 0.742 177 A CB -0.266 18.807 19.000 0.122 0.000 0.790 177 A HN 0.342 nan 8.150 nan 0.000 0.472 178 K N -1.181 119.260 120.400 0.068 0.000 2.444 178 K HA 0.219 4.539 4.320 -0.000 0.000 0.193 178 K C -0.836 175.491 176.600 -0.455 0.000 1.024 178 K CA 0.043 56.207 56.287 -0.206 0.000 1.077 178 K CB 0.133 32.420 32.500 -0.354 0.000 0.833 178 K HN 0.472 nan 8.250 nan 0.000 0.517 179 F N 1.017 121.002 119.950 0.059 0.000 2.523 179 F HA 0.216 4.742 4.527 -0.000 0.000 0.329 179 F C 0.457 176.273 175.800 0.027 0.000 1.061 179 F CA -1.395 56.628 58.000 0.037 0.000 0.967 179 F CB 0.863 39.881 39.000 0.030 0.000 1.218 179 F HN -0.167 nan 8.300 nan 0.000 0.480 180 D N 0.930 121.445 120.400 0.192 0.000 2.390 180 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 180 D C 0.767 177.104 176.300 0.062 0.000 1.144 180 D CA 0.739 54.798 54.000 0.097 0.000 0.880 180 D CB 1.016 41.858 40.800 0.071 0.000 1.182 180 D HN 0.847 nan 8.370 nan 0.000 0.451 181 G N 2.777 111.596 108.800 0.031 0.000 2.350 181 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.298 181 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.298 181 G C -0.042 174.803 174.900 -0.092 0.000 1.037 181 G CA -0.295 44.793 45.100 -0.020 0.000 1.074 181 G HN 0.480 nan 8.290 nan 0.000 0.511 182 N N -0.323 118.310 118.700 -0.112 0.000 2.438 182 N HA 0.537 5.276 4.740 -0.000 0.000 0.282 182 N C 0.297 175.505 175.510 -0.503 0.000 1.037 182 N CA -0.587 52.261 53.050 -0.337 0.000 0.942 182 N CB 1.538 39.811 38.487 -0.357 0.000 1.136 182 N HN 0.460 nan 8.380 nan 0.000 0.481 183 R N 1.828 121.921 120.500 -0.679 0.000 2.368 183 R HA 0.468 4.808 4.340 -0.000 0.000 0.302 183 R C -1.383 174.422 176.300 -0.825 0.000 1.002 183 R CA -0.164 55.547 56.100 -0.649 0.000 0.929 183 R CB 0.208 30.054 30.300 -0.756 0.000 1.073 183 R HN 0.368 nan 8.270 nan 0.000 0.464 184 F N 4.169 123.829 119.950 -0.482 0.000 2.520 184 F HA 0.462 4.989 4.527 -0.000 0.000 0.322 184 F C -0.847 174.475 175.800 -0.797 0.000 1.103 184 F CA -0.563 57.094 58.000 -0.570 0.000 0.926 184 F CB 1.623 40.289 39.000 -0.558 0.000 1.154 184 F HN 0.397 nan 8.300 nan 0.000 0.453 185 Y N 2.319 122.447 120.300 -0.288 0.000 2.373 185 Y HA 0.539 5.089 4.550 -0.000 0.000 0.336 185 Y C -1.099 174.690 175.900 -0.185 0.000 0.979 185 Y CA -1.406 56.626 58.100 -0.114 0.000 1.080 185 Y CB 1.398 39.870 38.460 0.021 0.000 1.190 185 Y HN 0.386 nan 8.280 nan 0.000 0.446 186 F N 4.275 124.434 119.950 0.348 0.000 2.449 186 F HA 0.629 5.155 4.527 -0.000 0.000 0.342 186 F C -0.530 175.332 175.800 0.103 0.000 1.127 186 F CA -0.852 57.242 58.000 0.157 0.000 0.975 186 F CB 1.209 40.241 39.000 0.053 0.000 1.146 186 F HN 0.240 nan 8.300 nan 0.000 0.444 187 I N 3.643 124.310 120.570 0.162 0.000 2.382 187 I HA 0.689 4.859 4.170 -0.000 0.000 0.285 187 I C -0.410 175.630 176.117 -0.128 0.000 1.007 187 I CA -0.143 61.078 61.300 -0.132 0.000 1.142 187 I CB 1.468 39.223 38.000 -0.408 0.000 1.289 187 I HN 0.680 nan 8.210 nan 0.000 0.453 188 A N 6.612 129.471 122.820 0.065 0.000 2.572 188 A HA 0.884 5.204 4.320 -0.000 0.000 0.295 188 A C -2.905 174.908 177.584 0.381 0.000 1.072 188 A CA -1.642 50.535 52.037 0.233 0.000 0.691 188 A CB 1.176 20.249 19.000 0.121 0.000 1.291 188 A HN 0.368 nan 8.150 nan 0.000 0.404 189 P HA 0.085 nan 4.420 nan 0.000 0.262 189 P C -0.061 177.323 177.300 0.139 0.000 1.182 189 P CA 0.598 63.820 63.100 0.205 0.000 0.761 189 P CB 0.483 32.261 31.700 0.129 0.000 0.795 190 D N 2.909 123.376 120.400 0.111 0.000 2.190 190 D HA -0.227 4.413 4.640 -0.000 0.000 0.200 190 D C 1.531 177.859 176.300 0.046 0.000 0.992 190 D CA 1.552 55.594 54.000 0.070 0.000 0.854 190 D CB -0.736 40.102 40.800 0.063 0.000 0.936 190 D HN 0.319 nan 8.370 nan 0.000 0.462 191 A N -0.161 122.694 122.820 0.058 0.000 2.119 191 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 191 A C 1.618 179.236 177.584 0.056 0.000 1.153 191 A CA 0.463 52.532 52.037 0.054 0.000 0.692 191 A CB -0.315 18.729 19.000 0.073 0.000 0.799 191 A HN 0.347 nan 8.150 nan 0.000 0.458 192 L N -0.097 121.165 121.223 0.066 0.000 3.168 192 L HA 0.387 4.727 4.340 -0.000 0.000 0.277 192 L C 0.675 177.549 176.870 0.006 0.000 1.308 192 L CA -0.546 54.328 54.840 0.057 0.000 0.976 192 L CB 0.248 42.384 42.059 0.129 0.000 1.383 192 L HN 0.314 nan 8.230 nan 0.000 0.572 193 A N 0.390 123.187 122.820 -0.039 0.000 2.296 193 A HA 0.437 4.757 4.320 -0.000 0.000 0.264 193 A C 0.095 177.555 177.584 -0.205 0.000 1.097 193 A CA -0.413 51.568 52.037 -0.093 0.000 0.811 193 A CB 0.367 19.318 19.000 -0.081 0.000 1.072 193 A HN 0.303 nan 8.150 nan 0.000 0.495 194 M N 1.999 121.397 119.600 -0.336 0.000 2.238 194 M HA 0.246 4.726 4.480 -0.000 0.000 0.350 194 M C -2.001 173.997 176.300 -0.503 0.000 1.321 194 M CA -2.037 52.955 55.300 -0.513 0.000 1.097 194 M CB 0.003 32.048 32.600 -0.924 0.000 1.713 194 M HN 0.382 nan 8.290 nan 0.000 0.455 195 P HA -0.035 nan 4.420 nan 0.000 0.261 195 P C -0.154 176.732 177.300 -0.690 0.000 1.183 195 P CA 0.199 62.882 63.100 -0.695 0.000 0.761 195 P CB 0.498 31.528 31.700 -1.117 0.000 0.785 196 E N 3.399 123.351 120.200 -0.413 0.000 2.147 196 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 196 E C 1.625 178.089 176.600 -0.225 0.000 1.005 196 E CA 1.795 58.041 56.400 -0.257 0.000 0.810 196 E CB -0.894 28.745 29.700 -0.102 0.000 0.736 196 E HN 0.660 nan 8.360 nan 0.000 0.460 197 Y N -1.656 118.547 120.300 -0.162 0.000 2.421 197 Y HA 0.033 4.583 4.550 -0.000 0.000 0.292 197 Y C 1.900 177.704 175.900 -0.160 0.000 1.136 197 Y CA 0.646 58.663 58.100 -0.139 0.000 1.255 197 Y CB -0.539 37.841 38.460 -0.133 0.000 0.991 197 Y HN 0.010 nan 8.280 nan 0.000 0.552 198 I N 0.116 120.388 120.570 -0.497 0.000 2.400 198 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 198 I C 2.310 178.231 176.117 -0.326 0.000 1.109 198 I CA 0.666 61.748 61.300 -0.364 0.000 1.425 198 I CB -0.229 37.458 38.000 -0.522 0.000 1.094 198 I HN 0.230 nan 8.210 nan 0.000 0.425 199 L N 0.446 121.413 121.223 -0.428 0.000 2.012 199 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 199 L C 2.220 179.052 176.870 -0.063 0.000 1.073 199 L CA 1.433 56.037 54.840 -0.394 0.000 0.748 199 L CB -0.892 40.913 42.059 -0.423 0.000 0.891 199 L HN 0.292 nan 8.230 nan 0.000 0.431 200 D N -0.177 120.205 120.400 -0.030 0.000 2.104 200 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 200 D C 2.139 178.469 176.300 0.050 0.000 0.994 200 D CA 1.303 55.329 54.000 0.043 0.000 0.830 200 D CB -0.267 40.553 40.800 0.034 0.000 0.959 200 D HN 0.211 nan 8.370 nan 0.000 0.452 201 M N 0.645 120.254 119.600 0.016 0.000 2.108 201 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 201 M C 2.023 178.348 176.300 0.041 0.000 1.066 201 M CA 1.240 56.553 55.300 0.021 0.000 1.107 201 M CB -0.546 32.055 32.600 0.002 0.000 1.356 201 M HN 0.024 nan 8.290 nan 0.000 0.406 202 L N -0.127 121.121 121.223 0.042 0.000 2.056 202 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 202 L C 2.059 179.053 176.870 0.208 0.000 1.078 202 L CA 1.199 56.115 54.840 0.127 0.000 0.749 202 L CB -0.957 41.188 42.059 0.143 0.000 0.901 202 L HN 0.217 nan 8.230 nan 0.000 0.433 203 D N -0.122 120.422 120.400 0.240 0.000 2.097 203 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 203 D C 2.096 178.457 176.300 0.102 0.000 0.989 203 D CA 1.068 55.178 54.000 0.183 0.000 0.827 203 D CB -0.218 40.693 40.800 0.184 0.000 0.966 203 D HN 0.267 nan 8.370 nan 0.000 0.456 204 E N 1.277 121.527 120.200 0.082 0.000 2.160 204 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 204 E C 1.152 177.782 176.600 0.050 0.000 0.991 204 E CA 1.042 57.474 56.400 0.053 0.000 0.810 204 E CB 0.054 29.780 29.700 0.042 0.000 0.742 204 E HN 0.227 nan 8.360 nan 0.000 0.466 205 K N -0.933 119.504 120.400 0.062 0.000 2.404 205 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 205 K C 0.843 177.478 176.600 0.059 0.000 1.023 205 K CA 0.480 56.800 56.287 0.056 0.000 1.094 205 K CB 0.367 32.904 32.500 0.062 0.000 0.841 205 K HN 0.266 nan 8.250 nan 0.000 0.523 206 G N 2.144 110.985 108.800 0.067 0.000 2.182 206 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 206 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 206 G C 0.026 174.966 174.900 0.066 0.000 1.042 206 G CA -0.137 44.994 45.100 0.053 0.000 0.775 206 G HN 0.206 nan 8.290 nan 0.000 0.501 207 I N 0.589 121.232 120.570 0.121 0.000 2.612 207 I HA 0.564 4.733 4.170 -0.000 0.000 0.295 207 I C 0.941 177.156 176.117 0.162 0.000 1.011 207 I CA -0.351 61.045 61.300 0.161 0.000 1.326 207 I CB 1.607 39.757 38.000 0.249 0.000 1.427 207 I HN 0.301 nan 8.210 nan 0.000 0.537 208 A N 6.885 129.768 122.820 0.106 0.000 2.274 208 A HA 0.611 4.930 4.320 -0.000 0.000 0.309 208 A C -0.878 176.778 177.584 0.120 0.000 1.226 208 A CA -0.464 51.578 52.037 0.007 0.000 0.853 208 A CB 0.436 19.381 19.000 -0.092 0.000 1.146 208 A HN 0.806 nan 8.150 nan 0.000 0.518 209 W N 1.094 122.363 121.300 -0.052 0.000 3.029 209 W HA 0.770 5.430 4.660 -0.000 0.000 0.339 209 W C -0.799 175.658 176.519 -0.103 0.000 1.198 209 W CA -0.523 56.752 57.345 -0.117 0.000 1.148 209 W CB 1.096 30.581 29.460 0.040 0.000 1.451 209 W HN 1.048 nan 8.180 nan 0.000 0.564 210 S N 0.622 116.488 115.700 0.278 0.000 2.565 210 S HA 0.745 5.215 4.470 -0.000 0.000 0.269 210 S C -1.419 173.289 174.600 0.181 0.000 1.153 210 S CA -1.048 57.256 58.200 0.174 0.000 0.835 210 S CB 2.058 65.354 63.200 0.160 0.000 1.122 210 S HN 0.518 nan 8.310 nan 0.000 0.462 211 L N 2.322 123.507 121.223 -0.062 0.000 2.334 211 L HA 0.687 5.027 4.340 -0.000 0.000 0.276 211 L C -0.520 175.986 176.870 -0.606 0.000 1.014 211 L CA -0.701 54.109 54.840 -0.051 0.000 0.815 211 L CB 1.356 43.483 42.059 0.114 0.000 1.268 211 L HN 0.713 nan 8.230 nan 0.000 0.428 212 H N 0.618 119.779 119.070 0.151 0.000 2.930 212 H HA 0.232 4.788 4.556 -0.000 0.000 0.371 212 H C -0.262 175.111 175.328 0.074 0.000 1.169 212 H CA -0.643 55.463 56.048 0.097 0.000 1.157 212 H CB 2.342 32.141 29.762 0.061 0.000 1.789 212 H HN 0.492 nan 8.280 nan 0.000 0.547 213 S N 0.908 116.730 115.700 0.204 0.000 2.558 213 S HA 0.029 4.499 4.470 -0.000 0.000 0.217 213 S C 0.827 175.610 174.600 0.305 0.000 0.975 213 S CA 0.319 58.670 58.200 0.252 0.000 0.912 213 S CB 0.170 63.498 63.200 0.212 0.000 0.776 213 S HN 0.676 nan 8.310 nan 0.000 0.526 214 S N -0.563 115.237 115.700 0.166 0.000 2.570 214 S HA 0.555 5.025 4.470 -0.000 0.000 0.270 214 S C 0.372 174.973 174.600 0.002 0.000 1.149 214 S CA -0.834 57.457 58.200 0.151 0.000 0.837 214 S CB 0.472 63.764 63.200 0.154 0.000 1.124 214 S HN 0.059 nan 8.310 nan 0.000 0.465 215 I N 0.939 121.510 120.570 0.001 0.000 2.617 215 I HA -0.015 4.155 4.170 -0.000 0.000 0.256 215 I C 2.056 178.146 176.117 -0.045 0.000 1.167 215 I CA 0.890 62.161 61.300 -0.049 0.000 1.469 215 I CB -0.325 37.671 38.000 -0.006 0.000 1.098 215 I HN 0.677 nan 8.210 nan 0.000 0.436 216 E N 1.256 121.459 120.200 0.004 0.000 2.107 216 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 216 E C 1.894 178.471 176.600 -0.038 0.000 0.982 216 E CA 1.076 57.479 56.400 0.005 0.000 0.809 216 E CB -0.238 29.491 29.700 0.049 0.000 0.756 216 E HN 0.585 nan 8.360 nan 0.000 0.459 217 E N 0.762 120.937 120.200 -0.041 0.000 2.401 217 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 217 E C 1.516 177.989 176.600 -0.211 0.000 1.023 217 E CA 1.417 57.769 56.400 -0.080 0.000 0.859 217 E CB 0.041 29.730 29.700 -0.019 0.000 0.780 217 E HN 0.342 nan 8.360 nan 0.000 0.523 218 V N -3.191 116.549 119.914 -0.290 0.000 3.556 218 V HA 0.192 4.312 4.120 -0.000 0.000 0.287 218 V C 1.938 177.813 176.094 -0.365 0.000 1.422 218 V CA 0.208 62.221 62.300 -0.477 0.000 1.038 218 V CB 0.419 31.818 31.823 -0.707 0.000 0.850 218 V HN 0.054 nan 8.190 nan 0.000 0.437 219 M N 3.148 122.611 119.600 -0.228 0.000 2.082 219 M HA 0.028 4.508 4.480 -0.000 0.000 0.258 219 M C 2.048 178.234 176.300 -0.190 0.000 1.069 219 M CA 2.683 57.875 55.300 -0.181 0.000 1.102 219 M CB -0.806 31.726 32.600 -0.114 0.000 1.336 219 M HN 0.443 nan 8.290 nan 0.000 0.404 220 A N -1.209 121.499 122.820 -0.186 0.000 2.216 220 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 220 A C 1.990 179.457 177.584 -0.195 0.000 1.160 220 A CA 1.360 53.291 52.037 -0.177 0.000 0.725 220 A CB -0.647 18.257 19.000 -0.160 0.000 0.784 220 A HN 0.594 nan 8.150 nan 0.000 0.472 221 E N -0.351 119.701 120.200 -0.246 0.000 2.460 221 E HA 0.091 4.441 4.350 -0.000 0.000 0.200 221 E C 0.341 176.788 176.600 -0.255 0.000 1.011 221 E CA 0.455 56.690 56.400 -0.275 0.000 0.912 221 E CB 0.668 30.200 29.700 -0.279 0.000 0.953 221 E HN 0.485 nan 8.360 nan 0.000 0.494 222 V N -0.551 119.238 119.914 -0.209 0.000 2.539 222 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 222 V C 0.772 176.834 176.094 -0.053 0.000 1.045 222 V CA -0.561 61.685 62.300 -0.090 0.000 0.945 222 V CB 1.782 33.539 31.823 -0.110 0.000 0.993 222 V HN -0.189 nan 8.190 nan 0.000 0.464 223 D N 2.174 122.584 120.400 0.018 0.000 2.197 223 D HA 0.215 4.855 4.640 -0.000 0.000 0.212 223 D C 0.152 176.454 176.300 0.003 0.000 0.963 223 D CA 1.478 55.478 54.000 -0.000 0.000 0.864 223 D CB 0.543 41.352 40.800 0.015 0.000 1.009 223 D HN 0.519 nan 8.370 nan 0.000 0.479 224 I N 0.482 121.069 120.570 0.030 0.000 2.608 224 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 224 I C -1.272 174.898 176.117 0.088 0.000 1.049 224 I CA -0.792 60.545 61.300 0.061 0.000 1.063 224 I CB 2.719 40.759 38.000 0.067 0.000 1.248 224 I HN -0.244 nan 8.210 nan 0.000 0.424 225 L N 7.245 128.535 121.223 0.112 0.000 2.319 225 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 225 L C -1.718 175.268 176.870 0.195 0.000 1.005 225 L CA -0.348 54.556 54.840 0.108 0.000 0.828 225 L CB 0.862 42.951 42.059 0.051 0.000 1.227 225 L HN 0.514 nan 8.230 nan 0.000 0.415 226 Y N 6.098 126.427 120.300 0.048 0.000 2.356 226 Y HA 0.561 5.111 4.550 -0.000 0.000 0.334 226 Y C -0.539 175.347 175.900 -0.024 0.000 0.958 226 Y CA -0.928 57.192 58.100 0.033 0.000 1.196 226 Y CB 1.016 39.514 38.460 0.063 0.000 1.137 226 Y HN 0.462 nan 8.280 nan 0.000 0.485 227 M N 5.020 124.462 119.600 -0.263 0.000 2.277 227 M HA 0.372 4.852 4.480 -0.000 0.000 0.350 227 M C -0.029 175.874 176.300 -0.661 0.000 1.180 227 M CA -0.211 54.899 55.300 -0.317 0.000 1.103 227 M CB 1.175 33.624 32.600 -0.251 0.000 1.577 227 M HN 0.694 nan 8.290 nan 0.000 0.459 228 T N -0.181 114.153 114.554 -0.367 0.000 2.907 228 T HA 0.662 5.012 4.350 -0.000 0.000 0.290 228 T C -0.266 174.379 174.700 -0.092 0.000 1.066 228 T CA -1.113 60.786 62.100 -0.335 0.000 1.012 228 T CB 2.489 71.314 68.868 -0.071 0.000 1.184 228 T HN 0.672 nan 8.240 nan 0.000 0.522 229 R N 0.497 121.024 120.500 0.044 0.000 2.459 229 R HA 0.533 4.873 4.340 -0.000 0.000 0.281 229 R C -0.797 175.557 176.300 0.089 0.000 1.050 229 R CA -0.588 55.583 56.100 0.118 0.000 1.055 229 R CB 0.818 31.207 30.300 0.148 0.000 1.045 229 R HN 0.571 nan 8.270 nan 0.000 0.495 230 V N 5.424 125.386 119.914 0.080 0.000 2.439 230 V HA 0.001 4.121 4.120 -0.000 0.000 0.271 230 V C 0.231 176.357 176.094 0.054 0.000 1.040 230 V CA -0.007 62.341 62.300 0.080 0.000 1.002 230 V CB 1.239 33.100 31.823 0.063 0.000 1.000 230 V HN 0.687 nan 8.190 nan 0.000 0.477 231 Q N 4.806 124.644 119.800 0.063 0.000 2.815 231 Q HA 0.106 4.446 4.340 -0.000 0.000 0.235 231 Q C 0.996 176.961 176.000 -0.060 0.000 1.354 231 Q CA -0.165 55.645 55.803 0.013 0.000 0.953 231 Q CB 0.102 28.862 28.738 0.036 0.000 1.613 231 Q HN 0.594 nan 8.270 nan 0.000 0.572 232 K N 1.516 121.891 120.400 -0.042 0.000 2.044 232 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 232 K C 1.687 178.242 176.600 -0.075 0.000 1.049 232 K CA 1.652 57.899 56.287 -0.068 0.000 0.927 232 K CB 0.117 32.571 32.500 -0.077 0.000 0.713 232 K HN 0.486 nan 8.250 nan 0.000 0.443 233 E N 0.791 120.954 120.200 -0.061 0.000 2.401 233 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 233 E C 1.097 177.647 176.600 -0.084 0.000 1.023 233 E CA 1.162 57.533 56.400 -0.049 0.000 0.859 233 E CB -0.035 29.651 29.700 -0.023 0.000 0.780 233 E HN 0.330 nan 8.360 nan 0.000 0.523 234 R N 0.057 120.445 120.500 -0.186 0.000 2.404 234 R HA 0.355 4.694 4.340 -0.000 0.000 0.237 234 R C 0.526 176.489 176.300 -0.561 0.000 0.907 234 R CA -0.259 55.631 56.100 -0.349 0.000 1.063 234 R CB 0.591 30.628 30.300 -0.438 0.000 1.134 234 R HN 0.069 nan 8.270 nan 0.000 0.529 235 L N 2.056 123.078 121.223 -0.335 0.000 2.410 235 L HA 0.084 4.424 4.340 -0.000 0.000 0.273 235 L C 0.123 176.990 176.870 -0.007 0.000 1.152 235 L CA -0.160 54.572 54.840 -0.180 0.000 0.855 235 L CB 0.468 42.575 42.059 0.080 0.000 1.129 235 L HN 0.012 nan 8.230 nan 0.000 0.463 236 D N 4.137 124.538 120.400 0.002 0.000 2.382 236 D HA 0.099 4.739 4.640 -0.000 0.000 0.245 236 D C -1.602 174.587 176.300 -0.186 0.000 1.120 236 D CA -1.219 52.763 54.000 -0.030 0.000 0.890 236 D CB 1.374 42.194 40.800 0.034 0.000 1.201 236 D HN 0.221 nan 8.370 nan 0.000 0.433 237 P HA -0.183 nan 4.420 nan 0.000 0.217 237 P C 0.922 177.890 177.300 -0.554 0.000 1.148 237 P CA 1.150 63.671 63.100 -0.965 0.000 0.834 237 P CB 0.164 31.508 31.700 -0.593 0.000 0.783 238 S N -0.245 115.316 115.700 -0.231 0.000 2.383 238 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 238 S C 1.429 176.016 174.600 -0.022 0.000 1.030 238 S CA 1.282 59.424 58.200 -0.096 0.000 1.002 238 S CB -0.863 62.315 63.200 -0.037 0.000 0.829 238 S HN 0.452 nan 8.310 nan 0.000 0.467 239 E N -0.015 120.199 120.200 0.023 0.000 2.494 239 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 239 E C 0.622 177.367 176.600 0.241 0.000 1.074 239 E CA -0.019 56.459 56.400 0.130 0.000 0.867 239 E CB -0.217 29.586 29.700 0.171 0.000 0.924 239 E HN 0.665 nan 8.360 nan 0.000 0.502 240 Y N 0.332 120.643 120.300 0.018 0.000 2.569 240 Y HA -0.154 4.396 4.550 -0.000 0.000 0.293 240 Y C 2.385 178.291 175.900 0.009 0.000 1.144 240 Y CA -0.125 57.980 58.100 0.009 0.000 1.321 240 Y CB 0.098 38.560 38.460 0.003 0.000 0.982 240 Y HN 0.188 nan 8.280 nan 0.000 0.558 241 A N 0.107 123.026 122.820 0.166 0.000 2.178 241 A HA -0.177 4.142 4.320 -0.000 0.000 0.218 241 A C 1.401 179.026 177.584 0.068 0.000 1.157 241 A CA 1.338 53.429 52.037 0.090 0.000 0.689 241 A CB -0.549 18.490 19.000 0.065 0.000 0.787 241 A HN 0.556 nan 8.150 nan 0.000 0.465 242 N N -1.168 117.584 118.700 0.087 0.000 2.200 242 N HA 0.153 4.893 4.740 -0.000 0.000 0.224 242 N C 0.835 176.373 175.510 0.047 0.000 1.179 242 N CA -0.058 53.032 53.050 0.065 0.000 0.877 242 N CB 0.708 39.252 38.487 0.094 0.000 1.072 242 N HN 0.172 nan 8.380 nan 0.000 0.519 243 V N 1.172 121.098 119.914 0.020 0.000 2.407 243 V HA -0.157 3.962 4.120 -0.000 0.000 0.248 243 V C 0.840 176.923 176.094 -0.018 0.000 1.055 243 V CA 1.567 63.853 62.300 -0.022 0.000 1.049 243 V CB -0.149 31.613 31.823 -0.101 0.000 0.662 243 V HN 0.221 nan 8.190 nan 0.000 0.455 244 K N 0.303 120.692 120.400 -0.018 0.000 2.156 244 K HA 0.573 4.893 4.320 -0.000 0.000 0.271 244 K C 0.061 176.653 176.600 -0.014 0.000 0.995 244 K CA -0.165 56.111 56.287 -0.018 0.000 0.890 244 K CB 1.385 33.871 32.500 -0.025 0.000 1.073 244 K HN 0.290 nan 8.250 nan 0.000 0.454 245 A N 2.836 125.655 122.820 -0.001 0.000 2.553 245 A HA -0.102 4.218 4.320 -0.000 0.000 0.258 245 A C 1.205 178.763 177.584 -0.042 0.000 1.069 245 A CA 0.283 52.327 52.037 0.012 0.000 0.767 245 A CB 0.014 19.038 19.000 0.039 0.000 0.997 245 A HN 0.974 nan 8.150 nan 0.000 0.512 246 Q N 1.676 121.407 119.800 -0.116 0.000 2.096 246 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 246 Q C -0.723 174.989 176.000 -0.480 0.000 0.982 246 Q CA 1.335 56.912 55.803 -0.377 0.000 0.850 246 Q CB -0.010 28.326 28.738 -0.670 0.000 0.901 246 Q HN 0.784 nan 8.270 nan 0.000 0.422 247 F N -0.035 119.938 119.950 0.039 0.000 2.427 247 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 247 F C -0.801 175.016 175.800 0.029 0.000 1.125 247 F CA -1.041 56.982 58.000 0.038 0.000 0.989 247 F CB 1.556 40.585 39.000 0.049 0.000 1.165 247 F HN -0.331 nan 8.300 nan 0.000 0.442 248 V N 4.977 124.977 119.914 0.144 0.000 2.370 248 V HA 0.295 4.414 4.120 -0.000 0.000 0.283 248 V C -0.393 175.754 176.094 0.088 0.000 1.023 248 V CA -0.749 61.606 62.300 0.091 0.000 0.857 248 V CB 1.650 33.502 31.823 0.048 0.000 0.985 248 V HN 0.532 nan 8.190 nan 0.000 0.443 249 L N 7.533 128.802 121.223 0.076 0.000 2.313 249 L HA 0.454 4.794 4.340 -0.000 0.000 0.282 249 L C 0.255 177.159 176.870 0.056 0.000 1.092 249 L CA 0.608 55.487 54.840 0.065 0.000 0.831 249 L CB 0.171 42.267 42.059 0.061 0.000 1.159 249 L HN 0.541 nan 8.230 nan 0.000 0.442 250 R N 3.925 124.456 120.500 0.052 0.000 2.637 250 R HA 0.490 4.830 4.340 -0.000 0.000 0.291 250 R C 0.861 177.191 176.300 0.051 0.000 0.963 250 R CA -0.110 56.018 56.100 0.047 0.000 0.901 250 R CB 1.695 32.015 30.300 0.033 0.000 1.160 250 R HN 0.810 nan 8.270 nan 0.000 0.457 251 A N 1.663 124.518 122.820 0.060 0.000 2.009 251 A HA -0.260 4.060 4.320 -0.000 0.000 0.222 251 A C 1.897 179.514 177.584 0.055 0.000 1.175 251 A CA 2.553 54.631 52.037 0.069 0.000 0.651 251 A CB -0.544 18.499 19.000 0.071 0.000 0.815 251 A HN 0.819 nan 8.150 nan 0.000 0.459 252 S N -0.048 115.669 115.700 0.028 0.000 2.474 252 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 252 S C 1.073 175.664 174.600 -0.015 0.000 0.997 252 S CA 1.181 59.377 58.200 -0.006 0.000 0.949 252 S CB -0.367 62.812 63.200 -0.034 0.000 0.766 252 S HN 0.602 nan 8.310 nan 0.000 0.517 253 D N 1.931 122.348 120.400 0.028 0.000 2.277 253 D HA 0.098 4.738 4.640 -0.000 0.000 0.208 253 D C 1.552 177.929 176.300 0.129 0.000 0.962 253 D CA 0.525 54.566 54.000 0.067 0.000 0.865 253 D CB -0.304 40.524 40.800 0.047 0.000 0.939 253 D HN 0.417 nan 8.370 nan 0.000 0.510 254 L N 1.694 122.962 121.223 0.075 0.000 2.610 254 L HA -0.057 4.283 4.340 -0.000 0.000 0.232 254 L C 2.209 179.123 176.870 0.073 0.000 1.149 254 L CA 0.169 55.007 54.840 -0.003 0.000 0.872 254 L CB -0.618 41.394 42.059 -0.079 0.000 0.992 254 L HN 0.163 nan 8.230 nan 0.000 0.447 255 H N 0.801 119.862 119.070 -0.016 0.000 2.460 255 H HA -0.155 4.401 4.556 -0.000 0.000 0.297 255 H C 0.953 176.278 175.328 -0.005 0.000 1.103 255 H CA 1.659 57.709 56.048 0.004 0.000 1.292 255 H CB -0.624 29.141 29.762 0.004 0.000 1.376 255 H HN 0.521 nan 8.280 nan 0.000 0.531 256 N N 0.681 119.130 118.700 -0.419 0.000 2.338 256 N HA 0.315 5.055 4.740 -0.000 0.000 0.251 256 N C -0.183 175.200 175.510 -0.212 0.000 1.199 256 N CA 0.131 52.933 53.050 -0.414 0.000 0.879 256 N CB 0.210 38.328 38.487 -0.617 0.000 1.159 256 N HN 0.453 nan 8.380 nan 0.000 0.514 257 A N 0.941 123.675 122.820 -0.143 0.000 2.322 257 A HA 0.361 4.681 4.320 -0.000 0.000 0.269 257 A C 0.451 178.004 177.584 -0.052 0.000 1.094 257 A CA -0.576 51.378 52.037 -0.139 0.000 0.807 257 A CB 0.818 19.646 19.000 -0.286 0.000 1.047 257 A HN 0.196 nan 8.150 nan 0.000 0.487 258 K N 1.249 121.617 120.400 -0.053 0.000 2.382 258 K HA 0.199 4.519 4.320 -0.000 0.000 0.275 258 K C 1.223 177.873 176.600 0.084 0.000 1.009 258 K CA 0.507 56.783 56.287 -0.019 0.000 0.970 258 K CB 0.725 33.192 32.500 -0.054 0.000 0.934 258 K HN 0.726 nan 8.250 nan 0.000 0.479 259 A N 3.036 125.888 122.820 0.053 0.000 2.024 259 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 259 A C 1.609 179.189 177.584 -0.006 0.000 1.164 259 A CA 1.733 53.795 52.037 0.042 0.000 0.643 259 A CB -0.491 18.491 19.000 -0.029 0.000 0.806 259 A HN 0.893 nan 8.150 nan 0.000 0.451 260 N N -1.009 117.685 118.700 -0.010 0.000 2.412 260 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 260 N C 0.764 176.260 175.510 -0.022 0.000 1.101 260 N CA 0.051 53.066 53.050 -0.059 0.000 0.881 260 N CB -0.274 38.167 38.487 -0.077 0.000 0.969 260 N HN 0.405 nan 8.380 nan 0.000 0.459 261 M N 1.562 121.209 119.600 0.079 0.000 2.248 261 M HA 0.102 4.582 4.480 -0.000 0.000 0.345 261 M C -0.890 175.483 176.300 0.121 0.000 1.243 261 M CA 0.423 55.759 55.300 0.059 0.000 1.090 261 M CB 0.380 32.974 32.600 -0.009 0.000 1.683 261 M HN -0.150 nan 8.290 nan 0.000 0.450 262 K N 3.371 123.800 120.400 0.048 0.000 2.345 262 K HA 0.485 4.805 4.320 -0.000 0.000 0.255 262 K C -1.316 175.367 176.600 0.138 0.000 0.934 262 K CA -0.491 55.848 56.287 0.087 0.000 0.801 262 K CB 2.006 34.484 32.500 -0.037 0.000 1.137 262 K HN 0.510 nan 8.250 nan 0.000 0.424 263 V N 5.734 125.769 119.914 0.200 0.000 2.372 263 V HA 0.283 4.403 4.120 -0.000 0.000 0.261 263 V C -0.106 176.185 176.094 0.328 0.000 1.055 263 V CA -0.450 61.992 62.300 0.237 0.000 0.930 263 V CB -0.215 31.784 31.823 0.293 0.000 1.031 263 V HN 0.529 nan 8.190 nan 0.000 0.479 264 L N 4.806 126.177 121.223 0.245 0.000 2.330 264 L HA 0.710 5.050 4.340 -0.000 0.000 0.271 264 L C -0.437 176.369 176.870 -0.106 0.000 1.013 264 L CA -0.707 54.250 54.840 0.194 0.000 0.816 264 L CB 1.951 44.170 42.059 0.267 0.000 1.287 264 L HN 0.568 nan 8.230 nan 0.000 0.435 265 H N 2.012 120.948 119.070 -0.224 0.000 3.042 265 H HA 0.221 4.777 4.556 -0.000 0.000 0.345 265 H C -2.452 172.702 175.328 -0.289 0.000 1.052 265 H CA -1.437 54.361 56.048 -0.417 0.000 1.311 265 H CB 2.958 32.449 29.762 -0.452 0.000 1.810 265 H HN 0.204 nan 8.280 nan 0.000 0.505 266 P HA -0.130 nan 4.420 nan 0.000 0.217 266 P C -0.074 177.331 177.300 0.175 0.000 1.151 266 P CA 1.240 64.398 63.100 0.097 0.000 0.849 266 P CB 0.238 31.994 31.700 0.094 0.000 0.787 267 L N -5.368 116.038 121.223 0.304 0.000 0.584 267 L HA -0.127 4.213 4.340 -0.000 0.000 0.356 267 L C -2.316 174.596 176.870 0.069 0.000 0.992 267 L CA -1.090 53.741 54.840 -0.014 0.000 1.223 267 L CB -1.819 40.203 42.059 -0.063 0.000 0.009 267 L HN -0.050 nan 8.230 nan 0.000 0.091 268 P HA 0.160 nan 4.420 nan 0.000 0.268 268 P C -1.029 176.166 177.300 -0.175 0.000 1.208 268 P CA -0.118 62.946 63.100 -0.060 0.000 0.777 268 P CB 0.533 32.226 31.700 -0.011 0.000 0.875 269 R N 1.768 122.084 120.500 -0.308 0.000 2.589 269 R HA 0.530 4.870 4.340 -0.000 0.000 0.293 269 R C -0.726 175.482 176.300 -0.155 0.000 0.963 269 R CA -0.663 55.194 56.100 -0.405 0.000 0.905 269 R CB 1.057 30.960 30.300 -0.663 0.000 1.144 269 R HN 0.259 nan 8.270 nan 0.000 0.459 270 V N 2.055 121.920 119.914 -0.082 0.000 6.976 270 V HA 0.069 4.189 4.120 -0.000 0.000 0.265 270 V C 1.177 177.250 176.094 -0.036 0.000 1.690 270 V CA 0.217 62.492 62.300 -0.042 0.000 0.585 270 V CB 0.568 32.382 31.823 -0.015 0.000 1.621 270 V HN 0.941 nan 8.190 nan 0.000 0.353 271 D N 0.924 121.315 120.400 -0.015 0.000 2.378 271 D HA -0.156 4.483 4.640 -0.000 0.000 0.227 271 D C 1.391 177.692 176.300 0.002 0.000 1.012 271 D CA 0.816 54.811 54.000 -0.008 0.000 0.905 271 D CB -0.153 40.645 40.800 -0.004 0.000 0.895 271 D HN 0.745 nan 8.370 nan 0.000 0.532 272 E N 1.108 121.315 120.200 0.010 0.000 2.358 272 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 272 E C 0.842 177.457 176.600 0.024 0.000 1.010 272 E CA 0.201 56.624 56.400 0.038 0.000 0.856 272 E CB 0.136 29.884 29.700 0.080 0.000 0.795 272 E HN 0.398 nan 8.360 nan 0.000 0.504 273 I N 1.538 122.093 120.570 -0.025 0.000 2.447 273 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 273 I C -0.324 175.784 176.117 -0.015 0.000 1.023 273 I CA -1.103 60.176 61.300 -0.036 0.000 1.083 273 I CB 1.896 39.799 38.000 -0.161 0.000 1.245 273 I HN -0.049 nan 8.210 nan 0.000 0.434 274 A N 3.692 126.526 122.820 0.023 0.000 2.477 274 A HA 0.270 4.590 4.320 -0.000 0.000 0.246 274 A C 1.455 179.072 177.584 0.055 0.000 1.078 274 A CA 0.071 52.128 52.037 0.033 0.000 0.770 274 A CB 0.174 19.197 19.000 0.038 0.000 1.011 274 A HN 0.899 nan 8.150 nan 0.000 0.494 275 T N -0.247 114.341 114.554 0.058 0.000 2.869 275 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 275 T C 0.956 175.714 174.700 0.097 0.000 1.082 275 T CA 1.608 63.762 62.100 0.089 0.000 1.123 275 T CB -0.543 68.367 68.868 0.071 0.000 0.856 275 T HN 0.807 nan 8.240 nan 0.000 0.499 276 D N 1.327 121.773 120.400 0.077 0.000 2.310 276 D HA -0.051 4.588 4.640 -0.000 0.000 0.212 276 D C 1.795 178.152 176.300 0.096 0.000 0.965 276 D CA 0.249 54.294 54.000 0.074 0.000 0.879 276 D CB -0.766 40.068 40.800 0.056 0.000 0.921 276 D HN 0.425 nan 8.370 nan 0.000 0.510 277 V N 0.940 120.927 119.914 0.122 0.000 2.667 277 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 277 V C 1.406 177.603 176.094 0.171 0.000 1.065 277 V CA 1.615 64.010 62.300 0.157 0.000 1.083 277 V CB -0.500 31.437 31.823 0.190 0.000 0.692 277 V HN 0.048 nan 8.190 nan 0.000 0.468 278 D N 0.385 120.892 120.400 0.179 0.000 2.263 278 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 278 D C 1.879 178.228 176.300 0.082 0.000 0.971 278 D CA 0.903 54.992 54.000 0.148 0.000 0.867 278 D CB -0.168 40.758 40.800 0.210 0.000 0.929 278 D HN 0.318 nan 8.370 nan 0.000 0.492 279 K N -0.137 120.312 120.400 0.081 0.000 2.404 279 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 279 K C 0.420 177.055 176.600 0.059 0.000 1.023 279 K CA 0.034 56.355 56.287 0.057 0.000 1.094 279 K CB 0.336 32.866 32.500 0.051 0.000 0.841 279 K HN 0.214 nan 8.250 nan 0.000 0.523 280 T N -1.920 112.684 114.554 0.084 0.000 2.918 280 T HA 0.238 4.588 4.350 -0.000 0.000 0.283 280 T C -1.600 173.146 174.700 0.076 0.000 1.001 280 T CA -1.812 60.347 62.100 0.099 0.000 1.041 280 T CB 1.267 70.242 68.868 0.179 0.000 1.028 280 T HN -0.145 nan 8.240 nan 0.000 0.511 281 P HA -0.090 nan 4.420 nan 0.000 0.228 281 P C 0.921 178.221 177.300 0.001 0.000 1.151 281 P CA 1.000 64.085 63.100 -0.026 0.000 0.770 281 P CB -0.031 31.579 31.700 -0.150 0.000 0.786 282 H N -0.046 119.091 119.070 0.111 0.000 2.497 282 H HA 0.254 4.809 4.556 -0.000 0.000 0.282 282 H C 0.954 176.376 175.328 0.156 0.000 1.003 282 H CA 0.197 56.310 56.048 0.108 0.000 1.307 282 H CB -0.098 29.708 29.762 0.073 0.000 1.437 282 H HN 0.091 nan 8.280 nan 0.000 0.544 283 A N 0.918 123.864 122.820 0.211 0.000 2.491 283 A HA -0.013 4.306 4.320 -0.000 0.000 0.261 283 A C 0.241 177.766 177.584 -0.099 0.000 1.101 283 A CA -0.032 51.965 52.037 -0.067 0.000 0.772 283 A CB -0.334 18.518 19.000 -0.246 0.000 1.043 283 A HN 0.640 nan 8.150 nan 0.000 0.501 284 W N 3.532 124.584 121.300 -0.414 0.000 2.284 284 W HA 0.100 4.760 4.660 -0.000 0.000 0.334 284 W C 0.024 176.394 176.519 -0.247 0.000 0.917 284 W CA -0.043 57.149 57.345 -0.255 0.000 1.621 284 W CB 0.298 29.710 29.460 -0.080 0.000 1.129 284 W HN 1.085 nan 8.180 nan 0.000 0.528 285 Y N -2.040 118.185 120.300 -0.125 0.000 2.421 285 Y HA -0.071 4.479 4.550 -0.000 0.000 0.292 285 Y C 1.684 177.409 175.900 -0.291 0.000 1.136 285 Y CA 0.836 58.801 58.100 -0.225 0.000 1.255 285 Y CB -1.399 36.862 38.460 -0.331 0.000 0.991 285 Y HN -0.228 nan 8.280 nan 0.000 0.552 286 F N 0.611 120.469 119.950 -0.153 0.000 2.335 286 F HA -0.015 4.512 4.527 -0.000 0.000 0.296 286 F C 2.090 177.781 175.800 -0.182 0.000 1.091 286 F CA 0.357 58.283 58.000 -0.122 0.000 1.399 286 F CB -0.660 38.243 39.000 -0.162 0.000 1.067 286 F HN 0.018 nan 8.300 nan 0.000 0.520 287 Q N 0.152 119.817 119.800 -0.225 0.000 2.046 287 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 287 Q C 2.268 178.256 176.000 -0.020 0.000 0.975 287 Q CA 1.686 57.326 55.803 -0.272 0.000 0.836 287 Q CB -0.615 27.633 28.738 -0.816 0.000 0.896 287 Q HN 0.437 nan 8.270 nan 0.000 0.428 288 Q N -0.017 119.807 119.800 0.040 0.000 2.096 288 Q HA -0.267 4.073 4.340 -0.000 0.000 0.208 288 Q C 1.912 177.987 176.000 0.125 0.000 0.993 288 Q CA 1.823 57.716 55.803 0.150 0.000 0.862 288 Q CB -0.254 28.594 28.738 0.184 0.000 0.915 288 Q HN 0.430 nan 8.270 nan 0.000 0.416 289 A N 0.280 123.161 122.820 0.103 0.000 1.902 289 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 289 A C 2.272 179.892 177.584 0.060 0.000 1.181 289 A CA 1.650 53.745 52.037 0.097 0.000 0.623 289 A CB -1.260 17.826 19.000 0.143 0.000 0.818 289 A HN 0.624 nan 8.150 nan 0.000 0.443 290 G N -0.200 108.636 108.800 0.060 0.000 2.418 290 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 290 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 290 G C 1.386 176.303 174.900 0.029 0.000 1.158 290 G CA 1.082 46.198 45.100 0.026 0.000 0.771 290 G HN 0.686 nan 8.290 nan 0.000 0.545 291 N N 0.502 119.297 118.700 0.157 0.000 2.430 291 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 291 N C 2.254 177.888 175.510 0.207 0.000 1.032 291 N CA 0.535 53.785 53.050 0.333 0.000 0.893 291 N CB -0.132 38.582 38.487 0.378 0.000 0.957 291 N HN 0.342 nan 8.380 nan 0.000 0.442 292 G N 1.035 109.863 108.800 0.046 0.000 2.462 292 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 292 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 292 G C 1.346 176.131 174.900 -0.193 0.000 1.121 292 G CA 0.383 45.448 45.100 -0.058 0.000 0.758 292 G HN 0.192 nan 8.290 nan 0.000 0.559 293 I N 0.254 120.630 120.570 -0.323 0.000 2.202 293 I HA -0.042 4.128 4.170 -0.000 0.000 0.242 293 I C 2.469 178.309 176.117 -0.461 0.000 1.091 293 I CA 0.944 61.961 61.300 -0.473 0.000 1.368 293 I CB -1.041 36.545 38.000 -0.690 0.000 1.058 293 I HN 0.094 nan 8.210 nan 0.000 0.410 294 F N 1.283 121.235 119.950 0.002 0.000 2.146 294 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 294 F C 2.676 178.360 175.800 -0.194 0.000 1.096 294 F CA 0.997 58.954 58.000 -0.071 0.000 1.275 294 F CB -1.447 37.547 39.000 -0.011 0.000 1.008 294 F HN 0.001 nan 8.300 nan 0.000 0.480 295 A N 0.408 123.182 122.820 -0.077 0.000 1.877 295 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 295 A C 2.351 179.874 177.584 -0.100 0.000 1.186 295 A CA 1.704 53.661 52.037 -0.133 0.000 0.620 295 A CB -0.693 18.275 19.000 -0.053 0.000 0.822 295 A HN 0.316 nan 8.150 nan 0.000 0.443 296 R N -0.846 119.557 120.500 -0.162 0.000 2.115 296 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 296 R C 2.477 178.756 176.300 -0.035 0.000 1.100 296 R CA 1.314 57.297 56.100 -0.195 0.000 0.980 296 R CB -0.269 29.692 30.300 -0.563 0.000 0.875 296 R HN 0.674 nan 8.270 nan 0.000 0.445 297 Q N 0.141 119.919 119.800 -0.037 0.000 2.050 297 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 297 Q C 2.243 178.267 176.000 0.039 0.000 0.980 297 Q CA 1.628 57.447 55.803 0.025 0.000 0.840 297 Q CB -0.142 28.625 28.738 0.049 0.000 0.898 297 Q HN 0.351 nan 8.270 nan 0.000 0.424 298 A N 0.804 123.632 122.820 0.012 0.000 1.883 298 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 298 A C 2.038 179.641 177.584 0.032 0.000 1.186 298 A CA 1.252 53.291 52.037 0.004 0.000 0.624 298 A CB -0.746 18.223 19.000 -0.052 0.000 0.822 298 A HN 0.319 nan 8.150 nan 0.000 0.444 299 L N -0.270 120.980 121.223 0.046 0.000 1.970 299 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 299 L C 2.476 179.411 176.870 0.108 0.000 1.071 299 L CA 1.886 56.779 54.840 0.087 0.000 0.751 299 L CB -0.609 41.528 42.059 0.130 0.000 0.889 299 L HN 0.434 nan 8.230 nan 0.000 0.432 300 L N -1.039 120.264 121.223 0.132 0.000 2.042 300 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 300 L C 2.641 179.570 176.870 0.099 0.000 1.076 300 L CA 1.261 56.178 54.840 0.128 0.000 0.749 300 L CB -0.939 41.209 42.059 0.148 0.000 0.893 300 L HN 0.391 nan 8.230 nan 0.000 0.432 301 A N 0.282 123.151 122.820 0.083 0.000 1.873 301 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 301 A C 2.257 179.889 177.584 0.080 0.000 1.193 301 A CA 1.807 53.887 52.037 0.071 0.000 0.629 301 A CB -0.824 18.208 19.000 0.053 0.000 0.826 301 A HN 0.372 nan 8.150 nan 0.000 0.447 302 L N -0.728 120.543 121.223 0.081 0.000 2.017 302 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 302 L C 2.543 179.498 176.870 0.142 0.000 1.073 302 L CA 1.168 56.065 54.840 0.094 0.000 0.745 302 L CB -0.619 41.485 42.059 0.075 0.000 0.894 302 L HN 0.256 nan 8.230 nan 0.000 0.432 303 V N -0.009 119.977 119.914 0.121 0.000 2.427 303 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 303 V C 2.089 178.278 176.094 0.160 0.000 1.051 303 V CA 1.496 63.859 62.300 0.103 0.000 1.048 303 V CB -0.236 31.623 31.823 0.062 0.000 0.666 303 V HN 0.372 nan 8.190 nan 0.000 0.456 304 L N -0.688 120.637 121.223 0.171 0.000 2.585 304 L HA 0.226 4.566 4.340 -0.000 0.000 0.226 304 L C 0.371 177.395 176.870 0.257 0.000 1.113 304 L CA 0.207 55.169 54.840 0.204 0.000 0.876 304 L CB -0.046 42.087 42.059 0.124 0.000 1.072 304 L HN 0.319 nan 8.230 nan 0.000 0.468 305 N N 0.296 119.112 118.700 0.193 0.000 2.407 305 N HA 0.177 4.917 4.740 -0.000 0.000 0.277 305 N C 0.540 175.954 175.510 -0.160 0.000 0.995 305 N CA -0.212 52.856 53.050 0.030 0.000 0.903 305 N CB 2.194 40.690 38.487 0.015 0.000 1.218 305 N HN -0.002 nan 8.380 nan 0.000 0.487 306 R N 1.044 121.218 120.500 -0.544 0.000 2.105 306 R HA -0.048 4.292 4.340 -0.000 0.000 0.239 306 R C -0.456 175.642 176.300 -0.336 0.000 1.135 306 R CA 1.403 56.980 56.100 -0.872 0.000 0.967 306 R CB 0.304 30.118 30.300 -0.811 0.000 0.861 306 R HN 0.544 nan 8.270 nan 0.000 0.442 307 D N -0.342 119.944 120.400 -0.190 0.000 2.936 307 D HA 0.202 4.842 4.640 -0.000 0.000 0.238 307 D C -1.300 174.966 176.300 -0.057 0.000 1.248 307 D CA -0.450 53.492 54.000 -0.097 0.000 0.903 307 D CB 1.707 42.457 40.800 -0.083 0.000 1.544 307 D HN -0.045 nan 8.370 nan 0.000 0.543 308 L N 2.160 123.366 121.223 -0.028 0.000 2.334 308 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 308 L C -0.145 176.719 176.870 -0.010 0.000 1.036 308 L CA -0.850 53.982 54.840 -0.012 0.000 0.807 308 L CB 1.816 43.877 42.059 0.003 0.000 1.231 308 L HN 0.161 nan 8.230 nan 0.000 0.438 309 V N 4.901 124.811 119.914 -0.006 0.000 2.488 309 V HA 0.547 4.667 4.120 -0.000 0.000 0.293 309 V C -0.345 175.749 176.094 0.000 0.000 1.027 309 V CA -0.456 61.842 62.300 -0.004 0.000 0.862 309 V CB 1.867 33.687 31.823 -0.006 0.000 1.008 309 V HN 0.700 nan 8.190 nan 0.000 0.428 310 L N 0.000 121.225 121.223 0.003 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.843 54.840 0.005 0.000 0.813 310 L CB 0.000 42.064 42.059 0.008 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502