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 1acm_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTATRLSFQ 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 0.000 177.572 177.584 -0.020 0.000 1.274 1 A CA 0.000 51.980 52.037 -0.095 0.000 0.836 1 A CB 0.000 19.006 19.000 0.009 0.000 0.831 2 N N 1.857 120.559 118.700 0.003 0.000 2.458 2 N HA 0.710 5.450 4.740 -0.000 0.000 0.271 2 N C -2.002 173.557 175.510 0.082 0.000 1.210 2 N CA -1.504 51.570 53.050 0.040 0.000 0.978 2 N CB 0.790 39.299 38.487 0.037 0.000 1.206 2 N HN 0.141 nan 8.380 nan 0.000 0.536 3 P HA -0.027 nan 4.420 nan 0.000 0.220 3 P C 0.754 178.094 177.300 0.066 0.000 1.148 3 P CA 1.066 64.201 63.100 0.059 0.000 0.803 3 P CB 0.215 31.941 31.700 0.042 0.000 0.782 4 L N -3.483 117.789 121.223 0.082 0.000 2.529 4 L HA 0.085 4.425 4.340 -0.000 0.000 0.223 4 L C 0.844 177.765 176.870 0.085 0.000 1.113 4 L CA -0.445 54.437 54.840 0.071 0.000 0.861 4 L CB -0.559 41.544 42.059 0.074 0.000 1.012 4 L HN -0.047 nan 8.230 nan 0.000 0.461 5 Y N 3.005 123.303 120.300 -0.003 0.000 2.865 5 Y HA -0.191 4.359 4.550 -0.000 0.000 0.338 5 Y C 0.985 176.865 175.900 -0.033 0.000 1.269 5 Y CA -0.078 58.016 58.100 -0.010 0.000 1.585 5 Y CB 0.103 38.559 38.460 -0.006 0.000 1.224 5 Y HN 0.218 nan 8.280 nan 0.000 0.554 6 Q N 1.576 121.031 119.800 -0.576 0.000 2.439 6 Q HA -0.276 4.064 4.340 -0.000 0.000 0.247 6 Q C -0.259 175.528 176.000 -0.354 0.000 0.899 6 Q CA 1.161 56.661 55.803 -0.505 0.000 1.201 6 Q CB -1.176 27.183 28.738 -0.632 0.000 1.608 6 Q HN 0.612 nan 8.270 nan 0.000 0.563 7 K N 0.749 121.016 120.400 -0.221 0.000 2.107 7 K HA 0.314 4.634 4.320 -0.000 0.000 0.251 7 K C 0.246 176.749 176.600 -0.161 0.000 1.012 7 K CA -0.378 55.793 56.287 -0.193 0.000 0.920 7 K CB 0.480 32.943 32.500 -0.063 0.000 1.033 7 K HN 0.107 nan 8.250 nan 0.000 0.478 8 H N 1.532 120.586 119.070 -0.027 0.000 2.517 8 H HA 0.251 4.807 4.556 -0.000 0.000 0.317 8 H C -0.071 175.260 175.328 0.006 0.000 1.080 8 H CA -0.544 55.493 56.048 -0.019 0.000 1.301 8 H CB 0.777 30.522 29.762 -0.029 0.000 1.425 8 H HN 0.184 nan 8.280 nan 0.000 0.471 9 I N 5.743 126.396 120.570 0.139 0.000 2.313 9 I HA 0.000 4.170 4.170 -0.000 0.000 0.286 9 I C 1.031 177.210 176.117 0.103 0.000 1.091 9 I CA -0.046 61.322 61.300 0.113 0.000 1.216 9 I CB 0.042 38.117 38.000 0.124 0.000 1.434 9 I HN 0.518 nan 8.210 nan 0.000 0.487 10 I N 2.048 122.669 120.570 0.085 0.000 3.039 10 I HA 0.110 4.280 4.170 -0.000 0.000 0.270 10 I C 0.999 177.155 176.117 0.065 0.000 1.150 10 I CA 0.789 62.123 61.300 0.057 0.000 1.448 10 I CB 0.140 38.154 38.000 0.023 0.000 1.197 10 I HN 0.433 nan 8.210 nan 0.000 0.450 11 S N 0.361 116.100 115.700 0.065 0.000 2.540 11 S HA 0.437 4.907 4.470 -0.000 0.000 0.275 11 S C 0.738 175.381 174.600 0.071 0.000 1.123 11 S CA -0.580 57.660 58.200 0.068 0.000 0.907 11 S CB 1.366 64.593 63.200 0.045 0.000 1.081 11 S HN 0.021 nan 8.310 nan 0.000 0.476 12 I N 3.948 124.567 120.570 0.081 0.000 2.454 12 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 12 I C 2.149 178.301 176.117 0.058 0.000 1.156 12 I CA 1.284 62.630 61.300 0.077 0.000 1.433 12 I CB -1.522 36.528 38.000 0.083 0.000 1.082 12 I HN 0.762 nan 8.210 nan 0.000 0.432 13 N N 1.274 120.004 118.700 0.051 0.000 2.137 13 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 13 N C 1.148 176.674 175.510 0.026 0.000 1.017 13 N CA 1.535 54.606 53.050 0.035 0.000 0.859 13 N CB 0.064 38.568 38.487 0.029 0.000 1.002 13 N HN 0.292 nan 8.380 nan 0.000 0.428 14 D N -0.631 119.787 120.400 0.030 0.000 2.355 14 D HA 0.001 4.641 4.640 -0.000 0.000 0.218 14 D C -0.223 176.094 176.300 0.028 0.000 1.004 14 D CA 0.256 54.270 54.000 0.025 0.000 0.880 14 D CB 0.220 41.037 40.800 0.029 0.000 0.911 14 D HN 0.190 nan 8.370 nan 0.000 0.528 15 L N 0.829 122.073 121.223 0.036 0.000 2.360 15 L HA 0.259 4.599 4.340 -0.000 0.000 0.271 15 L C 0.856 177.738 176.870 0.020 0.000 1.057 15 L CA -0.784 54.078 54.840 0.036 0.000 0.803 15 L CB 1.639 43.732 42.059 0.056 0.000 1.207 15 L HN -0.143 nan 8.230 nan 0.000 0.445 16 S N 1.839 117.544 115.700 0.007 0.000 2.767 16 S HA 0.495 4.965 4.470 -0.000 0.000 0.300 16 S C 1.076 175.648 174.600 -0.046 0.000 1.123 16 S CA -0.606 57.580 58.200 -0.023 0.000 0.992 16 S CB 1.178 64.365 63.200 -0.021 0.000 1.138 16 S HN 0.590 nan 8.310 nan 0.000 0.550 17 R N 0.129 120.553 120.500 -0.127 0.000 2.105 17 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 17 R C 0.661 176.915 176.300 -0.076 0.000 1.135 17 R CA 2.079 58.037 56.100 -0.237 0.000 0.967 17 R CB -0.532 29.529 30.300 -0.398 0.000 0.861 17 R HN 0.728 nan 8.270 nan 0.000 0.442 18 D N 0.174 120.554 120.400 -0.033 0.000 2.249 18 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 18 D C 1.186 177.512 176.300 0.043 0.000 0.962 18 D CA 0.695 54.704 54.000 0.016 0.000 0.860 18 D CB -0.182 40.624 40.800 0.010 0.000 0.955 18 D HN 0.257 nan 8.370 nan 0.000 0.505 19 D N 0.937 121.360 120.400 0.039 0.000 2.117 19 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 19 D C 2.400 178.748 176.300 0.081 0.000 0.987 19 D CA 0.438 54.472 54.000 0.056 0.000 0.829 19 D CB -0.248 40.582 40.800 0.051 0.000 0.961 19 D HN 0.242 nan 8.370 nan 0.000 0.460 20 L N 0.810 122.093 121.223 0.099 0.000 2.017 20 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 20 L C 2.215 179.191 176.870 0.176 0.000 1.073 20 L CA 0.909 55.841 54.840 0.154 0.000 0.745 20 L CB -0.474 41.719 42.059 0.223 0.000 0.894 20 L HN 0.003 nan 8.230 nan 0.000 0.432 21 N N 0.259 119.070 118.700 0.185 0.000 2.166 21 N HA -0.182 4.557 4.740 -0.000 0.000 0.186 21 N C 1.852 177.436 175.510 0.123 0.000 1.019 21 N CA 1.124 54.282 53.050 0.180 0.000 0.856 21 N CB -0.226 38.362 38.487 0.169 0.000 0.993 21 N HN 0.174 nan 8.380 nan 0.000 0.426 22 L N 1.102 122.382 121.223 0.095 0.000 2.042 22 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 22 L C 2.071 178.982 176.870 0.069 0.000 1.076 22 L CA 1.246 56.130 54.840 0.074 0.000 0.749 22 L CB -0.475 41.621 42.059 0.062 0.000 0.893 22 L HN -0.121 nan 8.230 nan 0.000 0.432 23 V N -0.390 119.568 119.914 0.074 0.000 2.358 23 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 23 V C 2.502 178.614 176.094 0.030 0.000 1.047 23 V CA 1.947 64.277 62.300 0.050 0.000 1.035 23 V CB -0.524 31.334 31.823 0.059 0.000 0.658 23 V HN 0.439 nan 8.190 nan 0.000 0.452 24 L N 0.083 121.358 121.223 0.087 0.000 2.083 24 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 24 L C 2.751 179.702 176.870 0.136 0.000 1.083 24 L CA 1.512 56.437 54.840 0.141 0.000 0.752 24 L CB -0.912 41.285 42.059 0.230 0.000 0.899 24 L HN 0.361 nan 8.230 nan 0.000 0.433 25 A N 0.096 122.980 122.820 0.108 0.000 1.877 25 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 25 A C 2.389 180.008 177.584 0.060 0.000 1.186 25 A CA 2.338 54.429 52.037 0.091 0.000 0.620 25 A CB -0.940 18.104 19.000 0.074 0.000 0.822 25 A HN 0.394 nan 8.150 nan 0.000 0.443 26 T N 0.479 115.055 114.554 0.036 0.000 2.746 26 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 26 T C 2.205 176.895 174.700 -0.017 0.000 1.039 26 T CA 1.584 63.694 62.100 0.017 0.000 1.142 26 T CB -0.500 68.379 68.868 0.019 0.000 0.866 26 T HN 0.595 nan 8.240 nan 0.000 0.444 27 A N 1.582 124.344 122.820 -0.098 0.000 1.902 27 A HA 0.148 4.467 4.320 -0.000 0.000 0.217 27 A C 2.677 180.155 177.584 -0.177 0.000 1.181 27 A CA 1.834 53.717 52.037 -0.258 0.000 0.623 27 A CB -1.152 17.405 19.000 -0.739 0.000 0.818 27 A HN 0.516 nan 8.150 nan 0.000 0.443 28 A N -0.143 122.688 122.820 0.018 0.000 1.902 28 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 28 A C 2.113 179.726 177.584 0.048 0.000 1.181 28 A CA 1.844 53.985 52.037 0.173 0.000 0.623 28 A CB -0.338 18.796 19.000 0.224 0.000 0.818 28 A HN 0.395 nan 8.150 nan 0.000 0.443 29 K N 0.052 120.471 120.400 0.032 0.000 1.985 29 K HA -0.040 4.280 4.320 -0.000 0.000 0.210 29 K C 1.878 178.486 176.600 0.013 0.000 1.047 29 K CA 1.368 57.667 56.287 0.021 0.000 0.932 29 K CB -0.978 31.536 32.500 0.024 0.000 0.716 29 K HN 0.539 nan 8.250 nan 0.000 0.439 30 L N 1.303 122.540 121.223 0.023 0.000 2.191 30 L HA -0.091 4.248 4.340 -0.000 0.000 0.212 30 L C 2.606 179.506 176.870 0.051 0.000 1.103 30 L CA 1.038 55.912 54.840 0.056 0.000 0.769 30 L CB -0.415 41.698 42.059 0.090 0.000 0.908 30 L HN 0.194 nan 8.230 nan 0.000 0.438 31 K N 0.514 120.868 120.400 -0.077 0.000 2.211 31 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 31 K C 1.999 178.488 176.600 -0.184 0.000 1.050 31 K CA 1.200 57.255 56.287 -0.386 0.000 0.945 31 K CB 0.055 32.142 32.500 -0.688 0.000 0.732 31 K HN 0.306 nan 8.250 nan 0.000 0.451 32 A N 0.567 123.341 122.820 -0.078 0.000 1.942 32 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 32 A C 0.707 178.288 177.584 -0.005 0.000 1.214 32 A CA 0.483 52.497 52.037 -0.038 0.000 0.686 32 A CB -0.027 18.960 19.000 -0.021 0.000 0.871 32 A HN 0.437 nan 8.150 nan 0.000 0.460 33 N N 0.450 119.155 118.700 0.009 0.000 2.540 33 N HA 0.345 5.085 4.740 -0.000 0.000 0.275 33 N C -3.424 172.107 175.510 0.035 0.000 1.053 33 N CA -1.410 51.652 53.050 0.021 0.000 0.876 33 N CB 1.870 40.366 38.487 0.016 0.000 1.284 33 N HN -0.079 nan 8.380 nan 0.000 0.518 34 P HA 0.116 nan 4.420 nan 0.000 0.271 34 P C -0.951 176.376 177.300 0.045 0.000 1.218 34 P CA -0.143 62.993 63.100 0.060 0.000 0.780 34 P CB 0.651 32.391 31.700 0.066 0.000 0.901 35 Q N 3.107 122.934 119.800 0.046 0.000 2.721 35 Q HA 0.210 4.550 4.340 -0.000 0.000 0.257 35 Q C -1.980 174.038 176.000 0.030 0.000 1.070 35 Q CA -1.630 54.193 55.803 0.033 0.000 0.910 35 Q CB 0.791 29.548 28.738 0.032 0.000 1.163 35 Q HN 0.343 nan 8.270 nan 0.000 0.501 36 P HA -0.112 nan 4.420 nan 0.000 0.225 36 P C 0.516 177.823 177.300 0.012 0.000 1.148 36 P CA 1.162 64.276 63.100 0.024 0.000 0.779 36 P CB 0.547 32.260 31.700 0.022 0.000 0.780 37 E N -1.432 118.769 120.200 0.001 0.000 2.526 37 E HA 0.163 4.513 4.350 -0.000 0.000 0.208 37 E C 1.706 178.297 176.600 -0.015 0.000 0.997 37 E CA -0.205 56.183 56.400 -0.020 0.000 0.961 37 E CB -0.280 29.402 29.700 -0.031 0.000 1.030 37 E HN 0.288 nan 8.360 nan 0.000 0.483 38 L N 0.367 121.592 121.223 0.004 0.000 2.137 38 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 38 L C 1.501 178.381 176.870 0.016 0.000 1.085 38 L CA 1.383 56.231 54.840 0.013 0.000 0.760 38 L CB -0.011 42.064 42.059 0.025 0.000 0.893 38 L HN 0.143 nan 8.230 nan 0.000 0.434 39 L N -0.737 120.494 121.223 0.013 0.000 3.288 39 L HA 0.171 4.511 4.340 -0.000 0.000 0.293 39 L C 0.346 177.220 176.870 0.007 0.000 1.294 39 L CA -0.360 54.494 54.840 0.023 0.000 1.006 39 L CB 0.351 42.430 42.059 0.033 0.000 1.407 39 L HN -0.012 nan 8.230 nan 0.000 0.592 40 K N 0.869 121.241 120.400 -0.047 0.000 2.472 40 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 40 K C 0.274 176.821 176.600 -0.088 0.000 1.028 40 K CA 0.691 56.886 56.287 -0.153 0.000 1.045 40 K CB -0.022 32.300 32.500 -0.297 0.000 0.902 40 K HN 0.360 nan 8.250 nan 0.000 0.478 41 H N 0.295 119.386 119.070 0.034 0.000 3.428 41 H HA -0.163 4.393 4.556 -0.000 0.000 0.204 41 H C -0.718 174.630 175.328 0.033 0.000 1.078 41 H CA 0.719 56.786 56.048 0.032 0.000 1.183 41 H CB -0.883 28.897 29.762 0.030 0.000 1.132 41 H HN 0.544 nan 8.280 nan 0.000 0.323 42 K N 1.377 121.854 120.400 0.128 0.000 2.143 42 K HA 0.552 4.872 4.320 -0.000 0.000 0.272 42 K C -0.294 176.346 176.600 0.066 0.000 1.001 42 K CA -0.528 55.812 56.287 0.088 0.000 0.915 42 K CB 2.277 34.819 32.500 0.070 0.000 1.047 42 K HN -0.098 nan 8.250 nan 0.000 0.458 43 V N 4.884 124.832 119.914 0.057 0.000 2.448 43 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 43 V C -0.291 175.823 176.094 0.032 0.000 1.025 43 V CA -0.748 61.579 62.300 0.045 0.000 0.859 43 V CB 1.235 33.091 31.823 0.055 0.000 0.988 43 V HN 0.631 nan 8.190 nan 0.000 0.431 44 I N 3.468 124.041 120.570 0.006 0.000 2.509 44 I HA 0.710 4.880 4.170 -0.000 0.000 0.293 44 I C 0.290 176.391 176.117 -0.027 0.000 1.020 44 I CA -0.694 60.597 61.300 -0.016 0.000 1.088 44 I CB 2.088 40.066 38.000 -0.036 0.000 1.267 44 I HN 0.676 nan 8.210 nan 0.000 0.430 45 A N 3.966 126.764 122.820 -0.036 0.000 2.301 45 A HA 0.533 4.853 4.320 -0.000 0.000 0.298 45 A C -0.126 177.388 177.584 -0.116 0.000 1.185 45 A CA -0.272 51.731 52.037 -0.057 0.000 0.830 45 A CB 0.900 19.875 19.000 -0.041 0.000 1.112 45 A HN 0.587 nan 8.150 nan 0.000 0.508 46 S N 1.833 117.458 115.700 -0.124 0.000 2.528 46 S HA 0.399 4.869 4.470 -0.000 0.000 0.303 46 S C -0.751 173.725 174.600 -0.207 0.000 1.123 46 S CA -0.491 57.669 58.200 -0.066 0.000 1.138 46 S CB -0.538 62.667 63.200 0.008 0.000 0.984 46 S HN 0.721 nan 8.310 nan 0.000 0.474 47 C N 6.122 125.180 119.300 -0.404 0.000 2.225 47 C HA 0.523 4.983 4.460 -0.000 0.000 0.323 47 C C -0.520 174.039 174.990 -0.719 0.000 1.164 47 C CA -0.864 57.593 59.018 -0.934 0.000 1.565 47 C CB -1.704 25.568 27.740 -0.780 0.000 2.124 47 C HN 0.785 nan 8.230 nan 0.000 0.461 48 F N 2.801 122.431 119.950 -0.534 0.000 2.308 48 F HA 0.388 4.915 4.527 -0.000 0.000 0.370 48 F C 0.540 176.238 175.800 -0.170 0.000 1.100 48 F CA -1.004 56.879 58.000 -0.196 0.000 1.108 48 F CB 0.430 39.373 39.000 -0.095 0.000 1.293 48 F HN 0.543 nan 8.300 nan 0.000 0.478 49 F N 0.910 120.903 119.950 0.071 0.000 2.731 49 F HA 0.163 4.690 4.527 -0.000 0.000 0.304 49 F C 0.720 176.503 175.800 -0.029 0.000 1.133 49 F CA 0.007 58.041 58.000 0.056 0.000 1.380 49 F CB -0.098 38.830 39.000 -0.119 0.000 1.079 49 F HN 0.364 nan 8.300 nan 0.000 0.550 50 E N 0.214 120.503 120.200 0.149 0.000 2.372 50 E HA 0.599 4.949 4.350 -0.000 0.000 0.279 50 E C -0.845 175.856 176.600 0.168 0.000 0.946 50 E CA -1.047 55.419 56.400 0.111 0.000 0.769 50 E CB 1.702 31.441 29.700 0.064 0.000 1.230 50 E HN -0.035 nan 8.360 nan 0.000 0.442 51 A N 2.166 125.058 122.820 0.120 0.000 2.609 51 A HA 0.334 4.653 4.320 -0.000 0.000 0.232 51 A C 0.016 177.689 177.584 0.148 0.000 1.041 51 A CA 1.191 53.296 52.037 0.114 0.000 0.753 51 A CB 0.190 19.232 19.000 0.069 0.000 0.966 51 A HN 0.444 nan 8.150 nan 0.000 0.510 52 S N 0.564 116.327 115.700 0.105 0.000 2.556 52 S HA 0.580 5.050 4.470 -0.000 0.000 0.280 52 S C 0.350 174.933 174.600 -0.029 0.000 1.141 52 S CA 0.120 58.362 58.200 0.069 0.000 0.883 52 S CB 1.192 64.459 63.200 0.111 0.000 1.103 52 S HN 0.835 nan 8.310 nan 0.000 0.453 53 T N 2.465 117.013 114.554 -0.011 0.000 3.238 53 T HA 0.343 4.693 4.350 -0.000 0.000 0.242 53 T C 1.996 176.676 174.700 -0.033 0.000 0.980 53 T CA 0.794 62.875 62.100 -0.032 0.000 1.235 53 T CB -0.693 68.174 68.868 -0.003 0.000 1.069 53 T HN 0.733 nan 8.240 nan 0.000 0.407 54 A N 1.467 124.298 122.820 0.018 0.000 1.872 54 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 54 A C 2.422 180.028 177.584 0.037 0.000 1.187 54 A CA 2.080 54.134 52.037 0.029 0.000 0.614 54 A CB -1.309 17.730 19.000 0.066 0.000 0.826 54 A HN 0.455 nan 8.150 nan 0.000 0.442 55 T N -0.705 113.912 114.554 0.106 0.000 2.708 55 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 55 T C 2.105 176.894 174.700 0.149 0.000 1.037 55 T CA 1.566 63.786 62.100 0.200 0.000 1.146 55 T CB -0.206 68.904 68.868 0.403 0.000 0.865 55 T HN 0.514 nan 8.240 nan 0.000 0.435 56 R N 0.469 120.860 120.500 -0.183 0.000 2.062 56 R HA 0.056 4.395 4.340 -0.000 0.000 0.231 56 R C 2.414 178.602 176.300 -0.186 0.000 1.136 56 R CA 1.073 56.839 56.100 -0.557 0.000 0.948 56 R CB -0.322 29.307 30.300 -1.119 0.000 0.845 56 R HN 0.334 nan 8.270 nan 0.000 0.430 57 L N 0.719 121.864 121.223 -0.129 0.000 2.093 57 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 57 L C 2.626 179.485 176.870 -0.019 0.000 1.085 57 L CA 1.464 56.270 54.840 -0.057 0.000 0.755 57 L CB -0.637 41.391 42.059 -0.051 0.000 0.904 57 L HN 0.377 nan 8.230 nan 0.000 0.435 58 S N -0.013 115.668 115.700 -0.031 0.000 2.368 58 S HA -0.197 4.272 4.470 -0.000 0.000 0.225 58 S C 1.927 176.495 174.600 -0.054 0.000 1.030 58 S CA 0.935 59.090 58.200 -0.074 0.000 0.999 58 S CB -0.755 62.369 63.200 -0.126 0.000 0.844 58 S HN 0.209 nan 8.310 nan 0.000 0.459 59 F N 2.907 122.845 119.950 -0.021 0.000 2.102 59 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 59 F C 2.840 178.616 175.800 -0.040 0.000 1.105 59 F CA 1.496 59.494 58.000 -0.004 0.000 1.239 59 F CB -0.612 38.422 39.000 0.057 0.000 0.991 59 F HN 0.332 nan 8.300 nan 0.000 0.474 60 Q N -1.593 118.301 119.800 0.156 0.000 2.435 60 Q HA -0.047 4.293 4.340 -0.000 0.000 0.207 60 Q C 1.760 177.792 176.000 0.053 0.000 0.956 60 Q CA 1.411 57.235 55.803 0.034 0.000 0.917 60 Q CB -0.512 28.244 28.738 0.029 0.000 0.997 60 Q HN 0.314 nan 8.270 nan 0.000 0.497 61 T N 0.758 115.358 114.554 0.076 0.000 2.809 61 T HA -0.070 4.280 4.350 -0.000 0.000 0.260 61 T C 2.148 176.875 174.700 0.044 0.000 1.039 61 T CA 1.151 63.306 62.100 0.093 0.000 1.141 61 T CB -0.094 68.789 68.868 0.024 0.000 0.869 61 T HN 0.213 nan 8.240 nan 0.000 0.437 62 S N 1.868 117.568 115.700 0.000 0.000 2.368 62 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 62 S C 2.128 176.736 174.600 0.014 0.000 1.044 62 S CA 1.560 59.756 58.200 -0.006 0.000 1.062 62 S CB -0.519 62.674 63.200 -0.012 0.000 0.931 62 S HN 0.419 nan 8.310 nan 0.000 0.440 63 M N 0.280 119.876 119.600 -0.008 0.000 2.082 63 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 63 M C 2.073 178.298 176.300 -0.126 0.000 1.069 63 M CA 1.797 57.044 55.300 -0.088 0.000 1.102 63 M CB -0.645 31.840 32.600 -0.191 0.000 1.336 63 M HN 0.414 nan 8.290 nan 0.000 0.404 64 H N -0.733 118.356 119.070 0.032 0.000 2.428 64 H HA 0.047 4.603 4.556 -0.000 0.000 0.296 64 H C 2.094 177.431 175.328 0.015 0.000 1.062 64 H CA 0.674 56.734 56.048 0.019 0.000 1.350 64 H CB 0.167 29.936 29.762 0.011 0.000 1.403 64 H HN 0.158 nan 8.280 nan 0.000 0.533 65 R N 0.508 121.074 120.500 0.109 0.000 2.189 65 R HA -0.012 4.328 4.340 -0.000 0.000 0.223 65 R C 1.082 177.415 176.300 0.055 0.000 1.092 65 R CA 0.657 56.800 56.100 0.070 0.000 0.989 65 R CB -0.131 30.197 30.300 0.047 0.000 0.876 65 R HN 0.382 nan 8.270 nan 0.000 0.457 66 L N -0.155 121.095 121.223 0.045 0.000 2.741 66 L HA 0.241 4.581 4.340 -0.000 0.000 0.237 66 L C 0.810 177.695 176.870 0.027 0.000 1.178 66 L CA 0.136 54.997 54.840 0.034 0.000 0.973 66 L CB 0.328 42.407 42.059 0.033 0.000 1.255 66 L HN 0.296 nan 8.230 nan 0.000 0.498 67 G N 0.187 109.010 108.800 0.037 0.000 2.148 67 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.254 67 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.254 67 G C 0.378 175.296 174.900 0.030 0.000 0.981 67 G CA 0.222 45.338 45.100 0.028 0.000 0.670 67 G HN 0.520 nan 8.290 nan 0.000 0.528 68 A N -0.654 122.180 122.820 0.024 0.000 2.242 68 A HA 0.894 5.214 4.320 -0.000 0.000 0.304 68 A C 0.573 178.165 177.584 0.012 0.000 1.100 68 A CA 0.578 52.621 52.037 0.011 0.000 0.860 68 A CB 1.134 20.123 19.000 -0.018 0.000 1.168 68 A HN 0.945 nan 8.150 nan 0.000 0.503 69 S N -1.360 114.348 115.700 0.014 0.000 2.532 69 S HA 0.642 5.112 4.470 -0.000 0.000 0.301 69 S C -0.891 173.700 174.600 -0.014 0.000 1.083 69 S CA -0.413 57.810 58.200 0.039 0.000 1.025 69 S CB 1.504 64.746 63.200 0.071 0.000 1.056 69 S HN 0.618 nan 8.310 nan 0.000 0.494 70 V N 3.163 123.083 119.914 0.010 0.000 2.656 70 V HA 0.749 4.869 4.120 -0.000 0.000 0.307 70 V C -0.513 175.601 176.094 0.034 0.000 1.051 70 V CA -0.664 61.627 62.300 -0.016 0.000 0.893 70 V CB 1.736 33.522 31.823 -0.063 0.000 0.999 70 V HN 0.760 nan 8.190 nan 0.000 0.426 71 V N 1.055 120.982 119.914 0.021 0.000 3.078 71 V HA 1.158 5.278 4.120 -0.000 0.000 0.311 71 V C 0.033 176.134 176.094 0.011 0.000 1.138 71 V CA 0.187 62.509 62.300 0.036 0.000 1.007 71 V CB 1.439 33.295 31.823 0.055 0.000 1.045 71 V HN 1.523 nan 8.190 nan 0.000 0.432 72 G N 1.336 110.153 108.800 0.029 0.000 2.373 72 G HA2 0.550 4.510 3.960 -0.000 0.000 0.250 72 G HA3 0.550 4.510 3.960 -0.000 0.000 0.250 72 G C -1.491 173.430 174.900 0.035 0.000 1.304 72 G CA 0.023 45.079 45.100 -0.073 0.000 0.948 72 G HN 2.151 nan 8.290 nan 0.000 0.474 73 F N -1.720 118.224 119.950 -0.010 0.000 2.693 73 F HA 0.730 5.257 4.527 -0.000 0.000 0.309 73 F C 0.526 176.319 175.800 -0.012 0.000 1.129 73 F CA -0.299 57.678 58.000 -0.039 0.000 0.948 73 F CB 1.599 40.540 39.000 -0.098 0.000 1.315 73 F HN 0.760 nan 8.300 nan 0.000 0.447 74 S N -1.470 114.349 115.700 0.198 0.000 2.603 74 S HA 0.317 4.787 4.470 -0.000 0.000 0.232 74 S C -0.745 173.950 174.600 0.158 0.000 1.016 74 S CA 0.041 58.331 58.200 0.151 0.000 0.976 74 S CB 0.035 63.262 63.200 0.045 0.000 0.921 74 S HN 0.715 nan 8.310 nan 0.000 0.516 75 D N 1.493 121.996 120.400 0.172 0.000 2.613 75 D HA 0.277 4.917 4.640 -0.000 0.000 0.230 75 D C 0.500 176.789 176.300 -0.018 0.000 1.365 75 D CA -0.213 53.832 54.000 0.075 0.000 0.976 75 D CB 1.777 42.601 40.800 0.040 0.000 1.415 75 D HN 0.025 nan 8.370 nan 0.000 0.589 76 S N 1.822 117.494 115.700 -0.047 0.000 2.607 76 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 76 S C 1.813 176.345 174.600 -0.113 0.000 0.969 76 S CA 0.460 58.557 58.200 -0.172 0.000 0.927 76 S CB 0.122 63.358 63.200 0.060 0.000 0.772 76 S HN 0.435 nan 8.310 nan 0.000 0.533 77 A N 2.155 124.939 122.820 -0.062 0.000 2.121 77 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 77 A C 1.857 179.401 177.584 -0.068 0.000 1.154 77 A CA 0.939 52.949 52.037 -0.046 0.000 0.679 77 A CB -0.337 18.648 19.000 -0.024 0.000 0.795 77 A HN 0.557 nan 8.150 nan 0.000 0.458 78 N N -0.342 118.295 118.700 -0.106 0.000 2.200 78 N HA 0.038 4.778 4.740 -0.000 0.000 0.224 78 N C 0.305 175.723 175.510 -0.154 0.000 1.179 78 N CA 0.767 53.756 53.050 -0.102 0.000 0.877 78 N CB 0.620 39.064 38.487 -0.071 0.000 1.072 78 N HN 0.621 nan 8.380 nan 0.000 0.519 79 T N -2.738 111.669 114.554 -0.244 0.000 2.824 79 T HA 0.268 4.618 4.350 -0.000 0.000 0.277 79 T C 1.353 175.968 174.700 -0.142 0.000 0.975 79 T CA -0.323 61.603 62.100 -0.290 0.000 0.966 79 T CB 1.412 69.947 68.868 -0.555 0.000 1.054 79 T HN -0.210 nan 8.240 nan 0.000 0.533 80 S N -0.118 115.523 115.700 -0.099 0.000 2.515 80 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 80 S C 1.703 176.278 174.600 -0.042 0.000 0.987 80 S CA 0.144 58.313 58.200 -0.052 0.000 0.936 80 S CB -0.676 62.507 63.200 -0.028 0.000 0.766 80 S HN 0.610 nan 8.310 nan 0.000 0.528 81 L N 1.262 122.460 121.223 -0.043 0.000 2.072 81 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 81 L C 2.243 179.106 176.870 -0.012 0.000 1.079 81 L CA 1.374 56.210 54.840 -0.006 0.000 0.752 81 L CB -0.815 41.281 42.059 0.062 0.000 0.906 81 L HN 0.362 nan 8.230 nan 0.000 0.436 82 G N -0.395 108.384 108.800 -0.036 0.000 2.434 82 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.214 82 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.214 82 G C 1.474 176.356 174.900 -0.030 0.000 1.202 82 G CA 0.739 45.819 45.100 -0.032 0.000 0.788 82 G HN 0.213 nan 8.290 nan 0.000 0.539 83 K N -0.207 120.170 120.400 -0.038 0.000 2.379 83 K HA 0.247 4.567 4.320 -0.000 0.000 0.194 83 K C 1.746 178.332 176.600 -0.023 0.000 1.031 83 K CA 0.451 56.721 56.287 -0.028 0.000 1.037 83 K CB 0.426 32.908 32.500 -0.030 0.000 0.824 83 K HN 0.243 nan 8.250 nan 0.000 0.516 84 K N -1.588 118.798 120.400 -0.024 0.000 2.477 84 K HA 0.247 4.567 4.320 -0.000 0.000 0.208 84 K C 0.131 176.719 176.600 -0.020 0.000 1.117 84 K CA 0.448 56.723 56.287 -0.020 0.000 1.039 84 K CB 1.640 34.129 32.500 -0.019 0.000 0.937 84 K HN 0.113 nan 8.250 nan 0.000 0.570 85 G N 2.671 111.458 108.800 -0.021 0.000 2.149 85 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.235 85 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.235 85 G C -0.386 174.496 174.900 -0.031 0.000 1.018 85 G CA 0.006 45.092 45.100 -0.023 0.000 0.728 85 G HN 0.378 nan 8.290 nan 0.000 0.508 86 E N 1.426 121.609 120.200 -0.030 0.000 2.344 86 E HA 0.451 4.801 4.350 -0.000 0.000 0.270 86 E C 1.488 178.056 176.600 -0.053 0.000 1.021 86 E CA 0.287 56.664 56.400 -0.038 0.000 0.887 86 E CB 0.442 30.126 29.700 -0.026 0.000 0.997 86 E HN 0.456 nan 8.360 nan 0.000 0.429 87 T N 1.517 116.020 114.554 -0.085 0.000 2.766 87 T HA 0.005 4.355 4.350 -0.000 0.000 0.295 87 T C 1.065 175.680 174.700 -0.142 0.000 1.024 87 T CA -0.721 61.307 62.100 -0.119 0.000 1.018 87 T CB 0.695 69.466 68.868 -0.163 0.000 1.002 87 T HN 0.490 nan 8.240 nan 0.000 0.532 88 L N 0.973 122.089 121.223 -0.178 0.000 2.217 88 L HA 0.221 4.561 4.340 -0.000 0.000 0.211 88 L C 2.595 179.303 176.870 -0.270 0.000 1.107 88 L CA 1.839 56.557 54.840 -0.203 0.000 0.783 88 L CB -1.389 40.501 42.059 -0.282 0.000 0.919 88 L HN 0.915 nan 8.230 nan 0.000 0.442 89 A N -0.700 121.853 122.820 -0.444 0.000 1.873 89 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 89 A C 1.974 179.210 177.584 -0.581 0.000 1.186 89 A CA 1.821 53.309 52.037 -0.915 0.000 0.616 89 A CB -0.702 17.480 19.000 -1.364 0.000 0.823 89 A HN 0.464 nan 8.150 nan 0.000 0.442 90 D N -0.748 119.443 120.400 -0.348 0.000 2.183 90 D HA -0.050 4.590 4.640 -0.000 0.000 0.203 90 D C 2.007 178.239 176.300 -0.114 0.000 0.969 90 D CA 1.575 55.459 54.000 -0.193 0.000 0.842 90 D CB -0.563 40.159 40.800 -0.129 0.000 0.957 90 D HN 0.383 nan 8.370 nan 0.000 0.484 91 T N 1.341 115.846 114.554 -0.082 0.000 2.652 91 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 91 T C 1.927 176.632 174.700 0.007 0.000 1.039 91 T CA 0.567 62.672 62.100 0.008 0.000 1.153 91 T CB -0.014 68.912 68.868 0.097 0.000 0.863 91 T HN 0.080 nan 8.240 nan 0.000 0.428 92 I N 1.461 122.023 120.570 -0.013 0.000 2.315 92 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 92 I C 2.625 178.737 176.117 -0.008 0.000 1.117 92 I CA 1.092 62.401 61.300 0.015 0.000 1.404 92 I CB -1.414 36.610 38.000 0.041 0.000 1.071 92 I HN 0.177 nan 8.210 nan 0.000 0.419 93 S N 0.585 116.276 115.700 -0.016 0.000 2.383 93 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 93 S C 2.193 176.743 174.600 -0.084 0.000 1.030 93 S CA 1.153 59.350 58.200 -0.005 0.000 1.002 93 S CB -0.171 63.031 63.200 0.003 0.000 0.829 93 S HN 0.258 nan 8.310 nan 0.000 0.467 94 V N 2.034 121.870 119.914 -0.130 0.000 2.302 94 V HA -0.070 4.050 4.120 -0.000 0.000 0.243 94 V C 2.167 177.945 176.094 -0.528 0.000 1.036 94 V CA 1.015 63.164 62.300 -0.251 0.000 1.020 94 V CB -0.542 31.192 31.823 -0.148 0.000 0.657 94 V HN 0.397 nan 8.190 nan 0.000 0.453 95 I N 1.776 122.123 120.570 -0.372 0.000 2.248 95 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 95 I C 2.646 178.597 176.117 -0.278 0.000 1.107 95 I CA 2.232 63.324 61.300 -0.347 0.000 1.373 95 I CB -1.626 36.351 38.000 -0.039 0.000 1.055 95 I HN 0.531 nan 8.210 nan 0.000 0.418 96 S N 0.278 115.879 115.700 -0.166 0.000 2.447 96 S HA -0.131 4.338 4.470 -0.000 0.000 0.233 96 S C 1.874 176.423 174.600 -0.085 0.000 1.006 96 S CA 1.254 59.406 58.200 -0.080 0.000 0.957 96 S CB -1.192 61.990 63.200 -0.030 0.000 0.773 96 S HN 0.638 nan 8.310 nan 0.000 0.507 97 T N -1.977 112.470 114.554 -0.178 0.000 3.163 97 T HA 0.074 4.424 4.350 -0.000 0.000 0.260 97 T C 0.994 175.757 174.700 0.105 0.000 1.156 97 T CA 0.328 62.394 62.100 -0.057 0.000 1.072 97 T CB -0.516 68.322 68.868 -0.051 0.000 0.937 97 T HN 0.508 nan 8.240 nan 0.000 0.528 98 Y N 0.951 121.270 120.300 0.032 0.000 2.535 98 Y HA 0.483 5.033 4.550 -0.000 0.000 0.264 98 Y C 1.140 177.055 175.900 0.025 0.000 1.087 98 Y CA -1.318 56.800 58.100 0.029 0.000 1.285 98 Y CB -0.035 38.444 38.460 0.033 0.000 1.200 98 Y HN 0.311 nan 8.280 nan 0.000 0.514 99 V N -2.750 117.264 119.914 0.166 0.000 3.158 99 V HA 0.546 4.666 4.120 -0.000 0.000 0.315 99 V C 0.128 176.259 176.094 0.062 0.000 1.148 99 V CA -0.755 61.607 62.300 0.105 0.000 1.042 99 V CB 2.361 34.236 31.823 0.087 0.000 1.101 99 V HN -0.045 nan 8.190 nan 0.000 0.448 100 D N 0.696 121.124 120.400 0.046 0.000 2.389 100 D HA 0.537 5.177 4.640 -0.000 0.000 0.206 100 D C 0.517 176.828 176.300 0.017 0.000 1.055 100 D CA 1.315 55.336 54.000 0.035 0.000 0.856 100 D CB 1.436 42.263 40.800 0.045 0.000 0.957 100 D HN 0.989 nan 8.370 nan 0.000 0.509 101 A N 0.298 123.123 122.820 0.009 0.000 2.601 101 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 101 A C -1.663 175.906 177.584 -0.026 0.000 1.075 101 A CA -0.608 51.426 52.037 -0.005 0.000 0.671 101 A CB 1.199 20.192 19.000 -0.011 0.000 1.277 101 A HN 0.008 nan 8.150 nan 0.000 0.417 102 I N 1.133 121.678 120.570 -0.042 0.000 2.466 102 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 102 I C -0.933 175.102 176.117 -0.135 0.000 1.026 102 I CA -0.937 60.318 61.300 -0.074 0.000 1.078 102 I CB 2.041 40.015 38.000 -0.043 0.000 1.249 102 I HN 0.344 nan 8.210 nan 0.000 0.429 103 V N 7.102 126.885 119.914 -0.218 0.000 2.398 103 V HA 0.507 4.627 4.120 -0.000 0.000 0.286 103 V C -0.082 175.817 176.094 -0.325 0.000 1.026 103 V CA -0.383 61.708 62.300 -0.348 0.000 0.868 103 V CB 1.715 33.197 31.823 -0.570 0.000 0.982 103 V HN 0.680 nan 8.190 nan 0.000 0.443 104 M N 5.187 124.591 119.600 -0.326 0.000 2.446 104 M HA 0.623 5.103 4.480 -0.000 0.000 0.294 104 M C -0.998 175.046 176.300 -0.426 0.000 1.158 104 M CA -0.708 54.400 55.300 -0.320 0.000 0.899 104 M CB 2.570 35.111 32.600 -0.099 0.000 1.687 104 M HN 0.724 nan 8.290 nan 0.000 0.455 105 R N 2.834 123.015 120.500 -0.532 0.000 2.628 105 R HA 0.541 4.881 4.340 -0.000 0.000 0.288 105 R C -1.943 174.377 176.300 0.032 0.000 0.980 105 R CA -0.457 55.450 56.100 -0.321 0.000 0.891 105 R CB 1.577 31.584 30.300 -0.489 0.000 1.188 105 R HN 0.843 nan 8.270 nan 0.000 0.450 106 H N 4.493 123.558 119.070 -0.007 0.000 3.012 106 H HA 0.308 4.864 4.556 -0.000 0.000 0.367 106 H C -2.418 172.922 175.328 0.021 0.000 1.211 106 H CA -1.917 54.159 56.048 0.048 0.000 1.139 106 H CB 2.985 32.700 29.762 -0.079 0.000 1.838 106 H HN 0.434 nan 8.280 nan 0.000 0.550 107 P HA 0.005 nan 4.420 nan 0.000 0.230 107 P C -0.131 177.248 177.300 0.131 0.000 1.168 107 P CA 0.426 63.540 63.100 0.024 0.000 0.793 107 P CB 1.120 32.790 31.700 -0.050 0.000 0.851 108 Q N 1.040 121.010 119.800 0.284 0.000 2.286 108 Q HA 0.184 4.524 4.340 -0.000 0.000 0.257 108 Q C -0.232 175.829 176.000 0.102 0.000 0.941 108 Q CA 0.087 55.987 55.803 0.161 0.000 0.912 108 Q CB 0.249 29.058 28.738 0.118 0.000 1.192 108 Q HN 0.055 nan 8.270 nan 0.000 0.410 109 E N 0.533 120.773 120.200 0.066 0.000 2.413 109 E HA 0.317 4.667 4.350 -0.000 0.000 0.263 109 E C 0.928 177.520 176.600 -0.013 0.000 1.015 109 E CA 1.318 57.742 56.400 0.040 0.000 0.916 109 E CB 0.315 30.041 29.700 0.044 0.000 0.947 109 E HN 0.774 nan 8.360 nan 0.000 0.440 110 G N 1.502 110.281 108.800 -0.034 0.000 2.213 110 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.236 110 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.236 110 G C 1.152 175.980 174.900 -0.119 0.000 0.991 110 G CA 0.545 45.604 45.100 -0.068 0.000 0.629 110 G HN 0.672 nan 8.290 nan 0.000 0.517 111 A N 0.639 123.349 122.820 -0.183 0.000 1.902 111 A HA 0.385 4.705 4.320 -0.000 0.000 0.217 111 A C 2.808 180.250 177.584 -0.237 0.000 1.181 111 A CA 2.915 54.746 52.037 -0.343 0.000 0.623 111 A CB -0.847 17.746 19.000 -0.678 0.000 0.818 111 A HN 1.784 nan 8.150 nan 0.000 0.443 112 A N -0.676 122.055 122.820 -0.149 0.000 1.968 112 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 112 A C 2.152 179.661 177.584 -0.125 0.000 1.169 112 A CA 1.854 53.820 52.037 -0.118 0.000 0.638 112 A CB -0.386 18.570 19.000 -0.074 0.000 0.812 112 A HN 0.443 nan 8.150 nan 0.000 0.446 113 R N -0.131 120.306 120.500 -0.105 0.000 2.070 113 R HA -0.090 4.250 4.340 -0.000 0.000 0.233 113 R C 2.036 178.267 176.300 -0.115 0.000 1.137 113 R CA 1.527 57.564 56.100 -0.106 0.000 0.945 113 R CB -0.771 29.481 30.300 -0.080 0.000 0.845 113 R HN 0.411 nan 8.270 nan 0.000 0.430 114 L N 0.406 121.576 121.223 -0.088 0.000 2.013 114 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 114 L C 1.981 178.872 176.870 0.034 0.000 1.073 114 L CA 2.546 57.375 54.840 -0.019 0.000 0.753 114 L CB -1.531 40.513 42.059 -0.025 0.000 0.890 114 L HN 0.364 nan 8.230 nan 0.000 0.432 115 A N -0.518 122.281 122.820 -0.036 0.000 1.948 115 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 115 A C 2.291 179.822 177.584 -0.090 0.000 1.177 115 A CA 2.670 54.697 52.037 -0.015 0.000 0.636 115 A CB -1.166 17.784 19.000 -0.082 0.000 0.815 115 A HN 0.691 nan 8.150 nan 0.000 0.449 116 T N -2.177 112.236 114.554 -0.235 0.000 2.962 116 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 116 T C 1.399 175.937 174.700 -0.270 0.000 1.088 116 T CA 1.502 63.362 62.100 -0.399 0.000 1.127 116 T CB -0.385 68.118 68.868 -0.608 0.000 0.883 116 T HN 0.647 nan 8.240 nan 0.000 0.493 117 E N -0.285 119.724 120.200 -0.318 0.000 2.358 117 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 117 E C 0.871 176.987 176.600 -0.807 0.000 1.010 117 E CA 0.692 56.762 56.400 -0.551 0.000 0.856 117 E CB -0.066 29.200 29.700 -0.724 0.000 0.795 117 E HN 0.619 nan 8.360 nan 0.000 0.504 118 F N -0.996 118.906 119.950 -0.081 0.000 2.724 118 F HA 0.153 4.680 4.527 -0.000 0.000 0.306 118 F C 2.270 178.037 175.800 -0.056 0.000 1.100 118 F CA -0.051 57.910 58.000 -0.065 0.000 1.255 118 F CB 0.238 39.195 39.000 -0.072 0.000 1.072 118 F HN -0.125 nan 8.300 nan 0.000 0.589 119 S N -0.367 115.342 115.700 0.015 0.000 2.399 119 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 119 S C 1.800 176.417 174.600 0.028 0.000 1.022 119 S CA 1.434 59.645 58.200 0.019 0.000 0.983 119 S CB -0.720 62.467 63.200 -0.023 0.000 0.803 119 S HN 0.644 nan 8.310 nan 0.000 0.480 120 G N 1.180 109.987 108.800 0.012 0.000 2.536 120 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.277 120 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.277 120 G C 0.245 175.158 174.900 0.022 0.000 1.155 120 G CA 0.385 45.491 45.100 0.010 0.000 0.960 120 G HN 0.591 nan 8.290 nan 0.000 0.544 121 N N 0.167 118.874 118.700 0.010 0.000 2.280 121 N HA 0.385 5.125 4.740 -0.000 0.000 0.192 121 N C 0.196 175.698 175.510 -0.014 0.000 1.109 121 N CA 0.565 53.606 53.050 -0.015 0.000 0.855 121 N CB 1.033 39.505 38.487 -0.024 0.000 0.974 121 N HN 0.498 nan 8.380 nan 0.000 0.482 122 V N 3.321 123.256 119.914 0.035 0.000 2.432 122 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 122 V C -1.962 174.199 176.094 0.112 0.000 1.046 122 V CA -1.805 60.517 62.300 0.037 0.000 0.945 122 V CB 1.070 32.912 31.823 0.032 0.000 0.992 122 V HN 0.074 nan 8.190 nan 0.000 0.471 123 P HA 0.169 nan 4.420 nan 0.000 0.271 123 P C -0.698 176.716 177.300 0.190 0.000 1.218 123 P CA 0.027 63.211 63.100 0.141 0.000 0.780 123 P CB 1.127 32.811 31.700 -0.028 0.000 0.901 124 V N 4.193 124.281 119.914 0.291 0.000 2.495 124 V HA 0.324 4.444 4.120 -0.000 0.000 0.298 124 V C 0.058 176.179 176.094 0.045 0.000 1.031 124 V CA -0.562 61.758 62.300 0.034 0.000 0.871 124 V CB 1.524 33.262 31.823 -0.141 0.000 0.988 124 V HN 0.325 nan 8.190 nan 0.000 0.432 125 L N 4.213 125.426 121.223 -0.015 0.000 2.362 125 L HA 0.520 4.860 4.340 -0.000 0.000 0.275 125 L C -0.015 176.849 176.870 -0.011 0.000 0.998 125 L CA -0.301 54.549 54.840 0.017 0.000 0.820 125 L CB 1.708 43.773 42.059 0.009 0.000 1.270 125 L HN 0.536 nan 8.230 nan 0.000 0.415 126 N N 2.004 120.739 118.700 0.059 0.000 2.439 126 N HA 0.324 5.064 4.740 -0.000 0.000 0.243 126 N C 0.490 176.082 175.510 0.136 0.000 1.088 126 N CA -0.003 53.079 53.050 0.054 0.000 0.940 126 N CB 1.544 40.069 38.487 0.063 0.000 1.180 126 N HN 0.712 nan 8.380 nan 0.000 0.505 127 A N 2.354 125.213 122.820 0.065 0.000 2.259 127 A HA 0.464 4.784 4.320 -0.000 0.000 0.208 127 A C 0.787 178.333 177.584 -0.064 0.000 1.201 127 A CA 0.430 52.562 52.037 0.157 0.000 0.824 127 A CB -0.724 18.360 19.000 0.140 0.000 0.838 127 A HN 0.836 nan 8.150 nan 0.000 0.485 128 G N 0.466 109.224 108.800 -0.070 0.000 2.462 128 G HA2 0.356 4.316 3.960 -0.000 0.000 0.424 128 G HA3 0.356 4.316 3.960 -0.000 0.000 0.424 128 G C -1.711 173.176 174.900 -0.022 0.000 1.573 128 G CA -0.284 44.742 45.100 -0.123 0.000 0.913 128 G HN 0.478 nan 8.290 nan 0.000 0.672 129 D N 1.446 121.865 120.400 0.031 0.000 2.440 129 D HA 0.604 5.244 4.640 -0.000 0.000 0.252 129 D C 1.195 177.546 176.300 0.085 0.000 1.180 129 D CA 0.520 54.556 54.000 0.061 0.000 0.894 129 D CB 0.770 41.591 40.800 0.035 0.000 1.111 129 D HN 1.873 nan 8.370 nan 0.000 0.544 130 G N 3.097 111.955 108.800 0.095 0.000 2.622 130 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.307 130 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.307 130 G C 0.684 175.662 174.900 0.129 0.000 1.226 130 G CA 0.968 46.132 45.100 0.106 0.000 0.997 130 G HN 1.269 nan 8.290 nan 0.000 0.551 131 S N 0.571 116.379 115.700 0.180 0.000 2.575 131 S HA 0.330 4.800 4.470 -0.000 0.000 0.237 131 S C 1.105 175.886 174.600 0.302 0.000 0.975 131 S CA 0.894 59.242 58.200 0.247 0.000 0.960 131 S CB 0.569 63.988 63.200 0.365 0.000 0.822 131 S HN 0.798 nan 8.310 nan 0.000 0.472 132 N N 1.859 120.694 118.700 0.225 0.000 2.220 132 N HA 0.092 4.832 4.740 -0.000 0.000 0.193 132 N C 0.152 175.822 175.510 0.266 0.000 1.052 132 N CA 1.096 54.288 53.050 0.237 0.000 0.898 132 N CB 0.081 38.641 38.487 0.121 0.000 1.080 132 N HN 0.289 nan 8.380 nan 0.000 0.467 133 Q N -0.699 119.210 119.800 0.182 0.000 2.413 133 Q HA 0.218 4.558 4.340 -0.000 0.000 0.276 133 Q C -1.265 174.864 176.000 0.215 0.000 1.099 133 Q CA -0.467 55.447 55.803 0.186 0.000 0.814 133 Q CB 1.863 30.686 28.738 0.142 0.000 1.379 133 Q HN 0.509 nan 8.270 nan 0.000 0.436 134 H N 1.976 121.109 119.070 0.106 0.000 2.490 134 H HA 0.285 4.841 4.556 -0.000 0.000 0.230 134 H C -2.169 173.229 175.328 0.116 0.000 1.417 134 H CA -2.199 53.918 56.048 0.115 0.000 1.449 134 H CB 0.702 30.532 29.762 0.114 0.000 1.649 134 H HN 0.250 nan 8.280 nan 0.000 0.519 135 P HA -0.142 nan 4.420 nan 0.000 0.215 135 P C 1.519 178.902 177.300 0.138 0.000 1.153 135 P CA 1.986 65.183 63.100 0.163 0.000 0.853 135 P CB 0.145 31.939 31.700 0.157 0.000 0.788 136 T N -4.094 110.576 114.554 0.194 0.000 3.113 136 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 136 T C 1.860 176.549 174.700 -0.017 0.000 1.143 136 T CA 0.636 62.803 62.100 0.112 0.000 1.090 136 T CB -0.507 68.464 68.868 0.172 0.000 0.922 136 T HN -0.003 nan 8.240 nan 0.000 0.521 137 Q N 1.642 121.339 119.800 -0.172 0.000 2.089 137 Q HA 0.036 4.376 4.340 -0.000 0.000 0.195 137 Q C 2.360 178.321 176.000 -0.066 0.000 0.963 137 Q CA 1.843 57.468 55.803 -0.295 0.000 0.834 137 Q CB -0.936 27.390 28.738 -0.687 0.000 0.906 137 Q HN 0.472 nan 8.270 nan 0.000 0.452 138 T N 1.230 115.769 114.554 -0.025 0.000 2.759 138 T HA -0.123 4.226 4.350 -0.000 0.000 0.269 138 T C 1.644 176.386 174.700 0.070 0.000 1.042 138 T CA 1.481 63.602 62.100 0.034 0.000 1.140 138 T CB -0.261 68.634 68.868 0.046 0.000 0.864 138 T HN 0.223 nan 8.240 nan 0.000 0.455 139 L N 0.763 122.028 121.223 0.069 0.000 2.093 139 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 139 L C 2.406 179.345 176.870 0.114 0.000 1.085 139 L CA 0.825 55.718 54.840 0.089 0.000 0.755 139 L CB -0.706 41.390 42.059 0.062 0.000 0.904 139 L HN 0.320 nan 8.230 nan 0.000 0.435 140 L N -2.569 118.709 121.223 0.091 0.000 2.156 140 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 140 L C 1.796 178.796 176.870 0.217 0.000 1.095 140 L CA 1.562 56.498 54.840 0.160 0.000 0.770 140 L CB -0.882 41.233 42.059 0.093 0.000 0.914 140 L HN 0.037 nan 8.230 nan 0.000 0.439 141 D N 0.656 121.160 120.400 0.172 0.000 2.149 141 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 141 D C 2.384 178.780 176.300 0.160 0.000 0.972 141 D CA 1.481 55.600 54.000 0.198 0.000 0.835 141 D CB -0.189 40.731 40.800 0.201 0.000 0.966 141 D HN 0.414 nan 8.370 nan 0.000 0.476 142 L N -0.209 121.095 121.223 0.135 0.000 2.056 142 L HA -0.111 4.228 4.340 -0.000 0.000 0.207 142 L C 2.351 179.309 176.870 0.146 0.000 1.078 142 L CA 0.572 55.467 54.840 0.092 0.000 0.749 142 L CB -0.347 41.763 42.059 0.084 0.000 0.901 142 L HN -0.059 nan 8.230 nan 0.000 0.433 143 F N 1.094 121.078 119.950 0.056 0.000 2.126 143 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 143 F C 2.472 178.324 175.800 0.085 0.000 1.096 143 F CA 2.003 60.045 58.000 0.070 0.000 1.255 143 F CB -0.533 38.529 39.000 0.105 0.000 0.997 143 F HN -0.051 nan 8.300 nan 0.000 0.479 144 T N 1.203 115.836 114.554 0.131 0.000 2.777 144 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 144 T C 2.195 176.896 174.700 0.001 0.000 1.040 144 T CA 1.804 63.955 62.100 0.084 0.000 1.141 144 T CB -0.418 68.600 68.868 0.251 0.000 0.868 144 T HN 0.253 nan 8.240 nan 0.000 0.444 145 I N 0.962 121.538 120.570 0.011 0.000 2.179 145 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 145 I C 2.823 178.873 176.117 -0.112 0.000 1.088 145 I CA 1.396 62.667 61.300 -0.049 0.000 1.357 145 I CB -0.387 37.592 38.000 -0.036 0.000 1.051 145 I HN 0.269 nan 8.210 nan 0.000 0.409 146 Q N 0.819 120.549 119.800 -0.117 0.000 2.061 146 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 146 Q C 2.273 178.165 176.000 -0.179 0.000 0.984 146 Q CA 1.775 57.496 55.803 -0.137 0.000 0.846 146 Q CB -0.093 28.585 28.738 -0.101 0.000 0.902 146 Q HN 0.453 nan 8.270 nan 0.000 0.421 147 Q N -0.816 118.832 119.800 -0.255 0.000 2.061 147 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 147 Q C 2.093 177.967 176.000 -0.211 0.000 0.984 147 Q CA 2.261 57.906 55.803 -0.264 0.000 0.846 147 Q CB -0.019 28.541 28.738 -0.296 0.000 0.902 147 Q HN 0.683 nan 8.270 nan 0.000 0.421 148 T N -2.130 112.276 114.554 -0.246 0.000 2.978 148 T HA 0.016 4.365 4.350 -0.000 0.000 0.262 148 T C 1.411 175.965 174.700 -0.244 0.000 1.063 148 T CA 0.597 62.495 62.100 -0.337 0.000 1.140 148 T CB 0.140 68.680 68.868 -0.546 0.000 0.886 148 T HN 0.079 nan 8.240 nan 0.000 0.470 149 E N 0.982 121.071 120.200 -0.185 0.000 2.431 149 E HA 0.249 4.598 4.350 -0.000 0.000 0.200 149 E C 1.684 178.216 176.600 -0.113 0.000 0.995 149 E CA 0.595 56.911 56.400 -0.139 0.000 0.915 149 E CB -0.031 29.597 29.700 -0.119 0.000 0.930 149 E HN 0.656 nan 8.360 nan 0.000 0.496 150 G N 2.563 111.294 108.800 -0.115 0.000 2.225 150 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 150 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 150 G C 0.300 175.156 174.900 -0.074 0.000 1.024 150 G CA 1.046 46.092 45.100 -0.090 0.000 0.784 150 G HN 0.265 nan 8.290 nan 0.000 0.507 151 R N -1.131 119.315 120.500 -0.090 0.000 2.604 151 R HA 0.515 4.855 4.340 -0.000 0.000 0.261 151 R C -0.615 175.602 176.300 -0.139 0.000 1.080 151 R CA -1.032 55.018 56.100 -0.083 0.000 0.917 151 R CB 0.411 30.672 30.300 -0.065 0.000 1.252 151 R HN 0.174 nan 8.270 nan 0.000 0.456 152 L N 2.382 123.488 121.223 -0.195 0.000 3.267 152 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 152 L C -1.083 175.633 176.870 -0.256 0.000 1.260 152 L CA -0.024 54.590 54.840 -0.377 0.000 1.034 152 L CB 0.789 42.334 42.059 -0.856 0.000 1.413 152 L HN 0.634 nan 8.230 nan 0.000 0.594 153 D N -1.216 119.139 120.400 -0.074 0.000 2.490 153 D HA 0.338 4.977 4.640 -0.000 0.000 0.232 153 D C -0.130 176.162 176.300 -0.013 0.000 1.053 153 D CA -0.693 53.323 54.000 0.027 0.000 0.914 153 D CB 0.801 41.653 40.800 0.087 0.000 1.431 153 D HN -0.105 nan 8.370 nan 0.000 0.483 154 N N 0.282 118.971 118.700 -0.017 0.000 2.735 154 N HA -0.175 4.564 4.740 -0.000 0.000 0.248 154 N C -1.006 174.501 175.510 -0.005 0.000 1.083 154 N CA 0.576 53.615 53.050 -0.018 0.000 0.703 154 N CB -0.964 37.530 38.487 0.012 0.000 1.005 154 N HN 0.432 nan 8.380 nan 0.000 0.550 155 L N 0.120 121.300 121.223 -0.071 0.000 2.358 155 L HA 0.378 4.718 4.340 -0.000 0.000 0.268 155 L C 0.774 177.594 176.870 -0.083 0.000 1.032 155 L CA -0.666 54.160 54.840 -0.024 0.000 0.805 155 L CB 1.140 43.150 42.059 -0.082 0.000 1.253 155 L HN 0.124 nan 8.230 nan 0.000 0.452 156 H N 1.286 120.310 119.070 -0.077 0.000 2.638 156 H HA 0.359 4.915 4.556 -0.000 0.000 0.303 156 H C -1.147 174.209 175.328 0.047 0.000 1.034 156 H CA -0.519 55.545 56.048 0.027 0.000 1.225 156 H CB 1.734 31.577 29.762 0.134 0.000 1.394 156 H HN 0.155 nan 8.280 nan 0.000 0.477 157 V N 2.840 122.767 119.914 0.021 0.000 2.384 157 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 157 V C 0.162 176.411 176.094 0.258 0.000 1.020 157 V CA -0.741 61.612 62.300 0.089 0.000 0.850 157 V CB 1.378 33.191 31.823 -0.017 0.000 0.987 157 V HN 0.823 nan 8.190 nan 0.000 0.436 158 A N 6.675 129.639 122.820 0.241 0.000 2.304 158 A HA 0.911 5.231 4.320 -0.000 0.000 0.323 158 A C -0.471 177.263 177.584 0.251 0.000 1.195 158 A CA -0.567 51.614 52.037 0.239 0.000 0.826 158 A CB 0.871 19.917 19.000 0.076 0.000 1.184 158 A HN 0.815 nan 8.150 nan 0.000 0.496 159 M N 2.859 122.640 119.600 0.302 0.000 2.253 159 M HA 0.458 4.938 4.480 -0.000 0.000 0.314 159 M C -1.244 175.193 176.300 0.229 0.000 1.019 159 M CA -0.543 54.948 55.300 0.319 0.000 0.932 159 M CB 2.045 34.869 32.600 0.373 0.000 1.606 159 M HN 0.366 nan 8.290 nan 0.000 0.430 160 V N 2.312 122.316 119.914 0.150 0.000 2.604 160 V HA 0.974 5.094 4.120 -0.000 0.000 0.305 160 V C 0.411 176.558 176.094 0.088 0.000 1.043 160 V CA -0.030 62.301 62.300 0.053 0.000 0.888 160 V CB 1.360 33.181 31.823 -0.005 0.000 0.995 160 V HN 1.138 nan 8.190 nan 0.000 0.429 161 G N 4.032 112.923 108.800 0.152 0.000 2.395 161 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.201 161 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.201 161 G C -0.869 174.131 174.900 0.166 0.000 1.206 161 G CA -0.011 45.206 45.100 0.195 0.000 1.210 161 G HN 0.814 nan 8.290 nan 0.000 0.557 162 D N 1.654 122.130 120.400 0.127 0.000 2.393 162 D HA 0.491 5.131 4.640 -0.000 0.000 0.232 162 D C 1.585 177.925 176.300 0.067 0.000 1.192 162 D CA -0.349 53.724 54.000 0.122 0.000 0.882 162 D CB 0.284 41.181 40.800 0.163 0.000 1.038 162 D HN 0.407 nan 8.370 nan 0.000 0.499 163 L N 3.245 124.485 121.223 0.029 0.000 2.554 163 L HA 0.130 4.469 4.340 -0.000 0.000 0.225 163 L C 2.233 179.093 176.870 -0.016 0.000 1.104 163 L CA -0.058 54.761 54.840 -0.034 0.000 0.866 163 L CB 0.027 42.031 42.059 -0.091 0.000 1.047 163 L HN 0.347 nan 8.230 nan 0.000 0.468 164 K N 0.543 120.902 120.400 -0.068 0.000 2.044 164 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 164 K C 1.768 178.272 176.600 -0.159 0.000 1.049 164 K CA 1.396 57.571 56.287 -0.185 0.000 0.945 164 K CB 0.044 32.295 32.500 -0.415 0.000 0.724 164 K HN 0.137 nan 8.250 nan 0.000 0.440 165 Y N 0.324 120.702 120.300 0.130 0.000 2.500 165 Y HA 0.234 4.784 4.550 -0.000 0.000 0.270 165 Y C 1.084 177.001 175.900 0.028 0.000 1.134 165 Y CA 0.107 58.281 58.100 0.123 0.000 1.293 165 Y CB 0.059 38.571 38.460 0.088 0.000 1.063 165 Y HN 0.032 nan 8.280 nan 0.000 0.534 166 G N 1.642 110.438 108.800 -0.006 0.000 2.367 166 G HA2 0.105 4.065 3.960 -0.000 0.000 0.282 166 G HA3 0.105 4.065 3.960 -0.000 0.000 0.282 166 G C 0.925 175.528 174.900 -0.494 0.000 1.140 166 G CA -0.514 44.500 45.100 -0.143 0.000 1.088 166 G HN 0.522 nan 8.290 nan 0.000 0.431 167 R N 1.389 121.785 120.500 -0.172 0.000 2.148 167 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 167 R C 2.229 178.517 176.300 -0.020 0.000 1.103 167 R CA 1.611 57.662 56.100 -0.082 0.000 0.983 167 R CB -0.830 29.548 30.300 0.130 0.000 0.874 167 R HN 0.519 nan 8.270 nan 0.000 0.451 168 T N 0.127 114.707 114.554 0.042 0.000 2.746 168 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 168 T C 2.135 176.825 174.700 -0.016 0.000 1.039 168 T CA 1.338 63.485 62.100 0.079 0.000 1.142 168 T CB -0.557 68.420 68.868 0.182 0.000 0.866 168 T HN 0.246 nan 8.240 nan 0.000 0.444 169 V N -0.797 119.063 119.914 -0.090 0.000 2.871 169 V HA 0.057 4.177 4.120 -0.000 0.000 0.256 169 V C 2.250 178.279 176.094 -0.109 0.000 1.082 169 V CA 1.137 63.356 62.300 -0.135 0.000 1.105 169 V CB -1.387 30.377 31.823 -0.099 0.000 0.713 169 V HN 0.600 nan 8.190 nan 0.000 0.473 170 H N 0.855 119.886 119.070 -0.065 0.000 2.333 170 H HA -0.037 4.519 4.556 -0.000 0.000 0.302 170 H C 2.643 177.945 175.328 -0.044 0.000 1.075 170 H CA 1.439 57.437 56.048 -0.084 0.000 1.348 170 H CB 0.039 29.796 29.762 -0.008 0.000 1.393 170 H HN 0.444 nan 8.280 nan 0.000 0.509 171 S N 0.704 116.466 115.700 0.103 0.000 2.368 171 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 171 S C 2.076 176.691 174.600 0.025 0.000 1.029 171 S CA 0.716 58.961 58.200 0.075 0.000 0.988 171 S CB -0.197 63.059 63.200 0.093 0.000 0.838 171 S HN 0.153 nan 8.310 nan 0.000 0.462 172 L N 1.838 123.041 121.223 -0.033 0.000 2.046 172 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 172 L C 2.239 179.088 176.870 -0.036 0.000 1.077 172 L CA 1.851 56.652 54.840 -0.066 0.000 0.747 172 L CB -1.315 40.604 42.059 -0.233 0.000 0.896 172 L HN 0.217 nan 8.230 nan 0.000 0.432 173 T N -0.929 113.565 114.554 -0.099 0.000 2.821 173 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 173 T C 1.798 176.422 174.700 -0.127 0.000 1.046 173 T CA 1.486 63.462 62.100 -0.208 0.000 1.139 173 T CB -0.155 68.507 68.868 -0.344 0.000 0.871 173 T HN 0.471 nan 8.240 nan 0.000 0.454 174 Q N 0.400 120.168 119.800 -0.054 0.000 2.167 174 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 174 Q C 2.622 178.658 176.000 0.060 0.000 0.970 174 Q CA 1.267 57.067 55.803 -0.004 0.000 0.855 174 Q CB -0.204 28.547 28.738 0.021 0.000 0.911 174 Q HN 0.562 nan 8.270 nan 0.000 0.438 175 A N 0.562 123.442 122.820 0.099 0.000 1.903 175 A HA -0.030 4.290 4.320 -0.000 0.000 0.213 175 A C 1.954 179.727 177.584 0.315 0.000 1.185 175 A CA 0.561 52.708 52.037 0.183 0.000 0.628 175 A CB -0.376 18.733 19.000 0.182 0.000 0.830 175 A HN 0.249 nan 8.150 nan 0.000 0.446 176 L N -0.478 120.926 121.223 0.301 0.000 2.362 176 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 176 L C 2.641 179.794 176.870 0.472 0.000 1.134 176 L CA 0.662 55.757 54.840 0.424 0.000 0.807 176 L CB -0.302 42.031 42.059 0.458 0.000 0.927 176 L HN 0.428 nan 8.230 nan 0.000 0.447 177 A N -0.325 122.692 122.820 0.329 0.000 2.239 177 A HA -0.085 4.235 4.320 -0.000 0.000 0.209 177 A C 2.010 179.684 177.584 0.151 0.000 1.171 177 A CA 0.758 52.944 52.037 0.249 0.000 0.768 177 A CB -0.250 18.818 19.000 0.114 0.000 0.790 177 A HN 0.330 nan 8.150 nan 0.000 0.478 178 K N -1.436 119.042 120.400 0.129 0.000 2.379 178 K HA 0.220 4.540 4.320 -0.000 0.000 0.194 178 K C -0.628 175.796 176.600 -0.293 0.000 1.031 178 K CA 0.089 56.312 56.287 -0.107 0.000 1.037 178 K CB 0.219 32.581 32.500 -0.231 0.000 0.824 178 K HN 0.469 nan 8.250 nan 0.000 0.516 179 F N 1.067 121.056 119.950 0.065 0.000 2.518 179 F HA 0.229 4.756 4.527 -0.000 0.000 0.338 179 F C 0.377 176.198 175.800 0.035 0.000 1.065 179 F CA -1.089 56.937 58.000 0.044 0.000 1.012 179 F CB 0.808 39.832 39.000 0.040 0.000 1.297 179 F HN -0.193 nan 8.300 nan 0.000 0.489 180 D N 0.087 120.609 120.400 0.204 0.000 2.193 180 D HA 0.402 5.042 4.640 -0.000 0.000 0.244 180 D C 0.716 177.056 176.300 0.067 0.000 1.064 180 D CA 0.379 54.441 54.000 0.103 0.000 0.845 180 D CB 1.421 42.264 40.800 0.072 0.000 1.148 180 D HN 0.773 nan 8.370 nan 0.000 0.464 181 G N 2.365 111.185 108.800 0.034 0.000 2.137 181 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 181 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 181 G C 0.115 174.958 174.900 -0.095 0.000 1.002 181 G CA -0.496 44.594 45.100 -0.017 0.000 0.702 181 G HN 0.467 nan 8.290 nan 0.000 0.515 182 N N 0.035 118.656 118.700 -0.133 0.000 2.530 182 N HA 0.461 5.201 4.740 -0.000 0.000 0.273 182 N C 0.356 175.527 175.510 -0.564 0.000 1.173 182 N CA -0.105 52.719 53.050 -0.377 0.000 0.967 182 N CB 1.195 39.407 38.487 -0.458 0.000 1.109 182 N HN 0.563 nan 8.380 nan 0.000 0.453 183 R N 1.772 121.832 120.500 -0.733 0.000 2.387 183 R HA 0.402 4.742 4.340 -0.000 0.000 0.314 183 R C -1.297 174.459 176.300 -0.907 0.000 0.958 183 R CA -0.382 55.283 56.100 -0.725 0.000 0.846 183 R CB 0.338 30.153 30.300 -0.809 0.000 1.147 183 R HN 0.305 nan 8.270 nan 0.000 0.447 184 F N 4.212 123.875 119.950 -0.479 0.000 2.443 184 F HA 0.408 4.935 4.527 -0.000 0.000 0.335 184 F C -0.679 174.614 175.800 -0.845 0.000 1.104 184 F CA -0.489 57.184 58.000 -0.544 0.000 1.013 184 F CB 1.271 40.002 39.000 -0.449 0.000 1.136 184 F HN 0.401 nan 8.300 nan 0.000 0.470 185 Y N 2.788 122.940 120.300 -0.246 0.000 2.326 185 Y HA 0.499 5.049 4.550 -0.000 0.000 0.331 185 Y C -1.042 174.755 175.900 -0.172 0.000 0.962 185 Y CA -1.125 56.888 58.100 -0.145 0.000 1.167 185 Y CB 0.875 39.291 38.460 -0.074 0.000 1.148 185 Y HN 0.308 nan 8.280 nan 0.000 0.463 186 F N 4.348 124.496 119.950 0.331 0.000 2.404 186 F HA 0.549 5.075 4.527 -0.000 0.000 0.354 186 F C -0.208 175.662 175.800 0.117 0.000 1.122 186 F CA -1.606 56.496 58.000 0.171 0.000 1.080 186 F CB 0.850 39.904 39.000 0.091 0.000 1.131 186 F HN 0.281 nan 8.300 nan 0.000 0.471 187 I N 3.588 124.262 120.570 0.173 0.000 2.420 187 I HA 0.682 4.852 4.170 -0.000 0.000 0.282 187 I C -0.408 175.637 176.117 -0.120 0.000 1.019 187 I CA -0.297 60.941 61.300 -0.102 0.000 1.130 187 I CB 1.074 38.845 38.000 -0.381 0.000 1.262 187 I HN 0.701 nan 8.210 nan 0.000 0.454 188 A N 7.808 130.685 122.820 0.096 0.000 2.572 188 A HA 0.889 5.209 4.320 -0.000 0.000 0.295 188 A C -2.865 174.961 177.584 0.403 0.000 1.072 188 A CA -1.418 50.790 52.037 0.284 0.000 0.691 188 A CB 1.566 20.660 19.000 0.156 0.000 1.291 188 A HN 0.358 nan 8.150 nan 0.000 0.404 189 P HA 0.160 nan 4.420 nan 0.000 0.271 189 P C -0.316 177.073 177.300 0.149 0.000 1.216 189 P CA 0.233 63.467 63.100 0.225 0.000 0.776 189 P CB 0.625 32.392 31.700 0.111 0.000 0.881 190 D N 2.600 123.069 120.400 0.116 0.000 2.157 190 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 190 D C 2.068 178.399 176.300 0.051 0.000 1.004 190 D CA 2.653 56.700 54.000 0.078 0.000 0.854 190 D CB -0.659 40.179 40.800 0.064 0.000 0.936 190 D HN 0.485 nan 8.370 nan 0.000 0.446 191 A N -0.097 122.757 122.820 0.056 0.000 2.024 191 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 191 A C 1.658 179.258 177.584 0.027 0.000 1.164 191 A CA 0.985 53.050 52.037 0.047 0.000 0.643 191 A CB -0.339 18.704 19.000 0.073 0.000 0.806 191 A HN 0.296 nan 8.150 nan 0.000 0.451 192 L N -0.570 120.677 121.223 0.041 0.000 3.062 192 L HA 0.372 4.712 4.340 -0.000 0.000 0.255 192 L C 0.816 177.676 176.870 -0.017 0.000 1.274 192 L CA -0.440 54.407 54.840 0.012 0.000 1.047 192 L CB -0.164 41.953 42.059 0.096 0.000 1.402 192 L HN 0.335 nan 8.230 nan 0.000 0.550 193 A N 0.363 123.161 122.820 -0.037 0.000 2.366 193 A HA 0.330 4.650 4.320 -0.000 0.000 0.250 193 A C 0.630 178.108 177.584 -0.176 0.000 1.099 193 A CA -0.283 51.712 52.037 -0.069 0.000 0.794 193 A CB 0.267 19.239 19.000 -0.047 0.000 1.056 193 A HN 0.195 nan 8.150 nan 0.000 0.499 194 M N 2.402 121.829 119.600 -0.289 0.000 2.327 194 M HA 0.103 4.583 4.480 -0.000 0.000 0.353 194 M C -1.777 174.257 176.300 -0.444 0.000 1.539 194 M CA -1.893 53.125 55.300 -0.471 0.000 1.039 194 M CB -0.160 31.943 32.600 -0.829 0.000 1.967 194 M HN 0.447 nan 8.290 nan 0.000 0.459 195 P HA -0.036 nan 4.420 nan 0.000 0.266 195 P C 0.177 177.149 177.300 -0.546 0.000 1.193 195 P CA 0.113 62.906 63.100 -0.512 0.000 0.770 195 P CB 0.596 31.887 31.700 -0.681 0.000 0.836 196 E N 2.163 122.179 120.200 -0.307 0.000 2.160 196 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 196 E C 1.768 178.237 176.600 -0.218 0.000 0.991 196 E CA 1.605 57.874 56.400 -0.217 0.000 0.810 196 E CB -0.952 28.704 29.700 -0.073 0.000 0.742 196 E HN 0.636 nan 8.360 nan 0.000 0.466 197 Y N -1.354 118.843 120.300 -0.170 0.000 2.403 197 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 197 Y C 1.696 177.490 175.900 -0.177 0.000 1.143 197 Y CA 0.491 58.502 58.100 -0.150 0.000 1.257 197 Y CB -0.348 38.028 38.460 -0.139 0.000 0.984 197 Y HN -0.008 nan 8.280 nan 0.000 0.550 198 I N 0.777 120.973 120.570 -0.624 0.000 2.235 198 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 198 I C 2.474 178.341 176.117 -0.416 0.000 1.085 198 I CA 0.980 61.985 61.300 -0.491 0.000 1.378 198 I CB -1.120 36.491 38.000 -0.649 0.000 1.076 198 I HN 0.361 nan 8.210 nan 0.000 0.415 199 L N 0.590 121.509 121.223 -0.508 0.000 1.990 199 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 199 L C 2.344 179.110 176.870 -0.174 0.000 1.072 199 L CA 1.651 56.186 54.840 -0.509 0.000 0.755 199 L CB -0.987 40.761 42.059 -0.518 0.000 0.889 199 L HN 0.210 nan 8.230 nan 0.000 0.432 200 D N -0.253 120.096 120.400 -0.084 0.000 2.157 200 D HA -0.280 4.360 4.640 -0.000 0.000 0.191 200 D C 2.099 178.407 176.300 0.014 0.000 1.004 200 D CA 1.509 55.514 54.000 0.007 0.000 0.854 200 D CB -0.226 40.583 40.800 0.015 0.000 0.936 200 D HN 0.224 nan 8.370 nan 0.000 0.446 201 M N 0.108 119.693 119.600 -0.026 0.000 2.132 201 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 201 M C 2.108 178.412 176.300 0.007 0.000 1.065 201 M CA 1.080 56.374 55.300 -0.010 0.000 1.122 201 M CB -0.375 32.208 32.600 -0.030 0.000 1.365 201 M HN 0.042 nan 8.290 nan 0.000 0.411 202 L N 0.072 121.279 121.223 -0.025 0.000 2.012 202 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 202 L C 2.173 179.158 176.870 0.192 0.000 1.073 202 L CA 1.439 56.318 54.840 0.065 0.000 0.748 202 L CB -1.019 41.028 42.059 -0.021 0.000 0.891 202 L HN 0.266 nan 8.230 nan 0.000 0.431 203 D N -0.286 120.257 120.400 0.239 0.000 2.084 203 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 203 D C 2.093 178.467 176.300 0.122 0.000 0.990 203 D CA 1.062 55.199 54.000 0.228 0.000 0.826 203 D CB -0.191 40.754 40.800 0.241 0.000 0.971 203 D HN 0.264 nan 8.370 nan 0.000 0.453 204 E N 0.867 121.120 120.200 0.088 0.000 2.171 204 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 204 E C 1.492 178.124 176.600 0.054 0.000 0.997 204 E CA 1.034 57.469 56.400 0.057 0.000 0.810 204 E CB 0.072 29.798 29.700 0.043 0.000 0.738 204 E HN 0.011 nan 8.360 nan 0.000 0.467 205 K N -0.998 119.442 120.400 0.067 0.000 2.426 205 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 205 K C 0.910 177.553 176.600 0.072 0.000 1.028 205 K CA 0.806 57.131 56.287 0.063 0.000 1.047 205 K CB 0.108 32.649 32.500 0.068 0.000 0.821 205 K HN 0.277 nan 8.250 nan 0.000 0.513 206 G N 0.568 109.417 108.800 0.082 0.000 2.148 206 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 206 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 206 G C 0.025 174.977 174.900 0.087 0.000 0.981 206 G CA 0.167 45.307 45.100 0.068 0.000 0.670 206 G HN 0.163 nan 8.290 nan 0.000 0.528 207 I N 1.343 122.000 120.570 0.146 0.000 2.575 207 I HA 0.488 4.657 4.170 -0.000 0.000 0.285 207 I C 1.115 177.362 176.117 0.217 0.000 1.085 207 I CA -0.132 61.285 61.300 0.195 0.000 1.403 207 I CB 0.864 39.039 38.000 0.292 0.000 1.409 207 I HN 0.357 nan 8.210 nan 0.000 0.557 208 A N 8.590 131.479 122.820 0.115 0.000 2.328 208 A HA 0.604 4.924 4.320 -0.000 0.000 0.284 208 A C -0.481 177.171 177.584 0.113 0.000 1.160 208 A CA -0.459 51.581 52.037 0.005 0.000 0.818 208 A CB 0.482 19.413 19.000 -0.115 0.000 1.087 208 A HN 0.821 nan 8.150 nan 0.000 0.504 209 W N 0.824 122.066 121.300 -0.096 0.000 3.062 209 W HA 0.739 5.399 4.660 -0.000 0.000 0.336 209 W C -0.832 175.569 176.519 -0.196 0.000 1.224 209 W CA -0.421 56.801 57.345 -0.204 0.000 1.159 209 W CB 0.870 30.274 29.460 -0.092 0.000 1.454 209 W HN 1.125 nan 8.180 nan 0.000 0.569 210 S N 0.437 116.176 115.700 0.065 0.000 2.588 210 S HA 0.751 5.221 4.470 -0.000 0.000 0.269 210 S C -1.373 173.321 174.600 0.157 0.000 1.157 210 S CA -1.064 57.142 58.200 0.009 0.000 0.824 210 S CB 2.099 65.302 63.200 0.004 0.000 1.126 210 S HN 0.525 nan 8.310 nan 0.000 0.464 211 L N 1.808 123.032 121.223 0.001 0.000 2.334 211 L HA 0.697 5.037 4.340 -0.000 0.000 0.272 211 L C -0.362 176.252 176.870 -0.428 0.000 1.020 211 L CA -0.737 54.127 54.840 0.040 0.000 0.812 211 L CB 1.294 43.435 42.059 0.136 0.000 1.264 211 L HN 0.715 nan 8.230 nan 0.000 0.439 212 H N -0.189 118.952 119.070 0.117 0.000 2.996 212 H HA 0.176 4.732 4.556 -0.000 0.000 0.368 212 H C -0.307 175.048 175.328 0.045 0.000 1.185 212 H CA -0.477 55.613 56.048 0.069 0.000 1.160 212 H CB 2.321 32.108 29.762 0.042 0.000 1.820 212 H HN 0.612 nan 8.280 nan 0.000 0.547 213 S N 0.331 116.129 115.700 0.162 0.000 2.575 213 S HA 0.095 4.565 4.470 -0.000 0.000 0.215 213 S C 0.756 175.493 174.600 0.228 0.000 0.966 213 S CA -0.031 58.289 58.200 0.200 0.000 0.911 213 S CB 0.150 63.460 63.200 0.183 0.000 0.780 213 S HN 0.585 nan 8.310 nan 0.000 0.514 214 S N -0.283 115.486 115.700 0.116 0.000 2.671 214 S HA 0.636 5.106 4.470 -0.000 0.000 0.277 214 S C 0.356 174.934 174.600 -0.037 0.000 1.165 214 S CA -0.961 57.290 58.200 0.086 0.000 0.822 214 S CB 0.379 63.650 63.200 0.119 0.000 1.150 214 S HN 0.060 nan 8.310 nan 0.000 0.479 215 I N 0.696 121.245 120.570 -0.035 0.000 2.703 215 I HA 0.019 4.189 4.170 -0.000 0.000 0.259 215 I C 2.054 178.124 176.117 -0.079 0.000 1.151 215 I CA 0.693 61.945 61.300 -0.080 0.000 1.470 215 I CB -0.355 37.624 38.000 -0.035 0.000 1.112 215 I HN 0.618 nan 8.210 nan 0.000 0.437 216 E N 1.357 121.541 120.200 -0.026 0.000 2.085 216 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 216 E C 1.900 178.463 176.600 -0.060 0.000 0.994 216 E CA 1.169 57.554 56.400 -0.025 0.000 0.801 216 E CB -0.290 29.419 29.700 0.014 0.000 0.743 216 E HN 0.427 nan 8.360 nan 0.000 0.453 217 E N -0.261 119.907 120.200 -0.054 0.000 2.147 217 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 217 E C 1.813 178.281 176.600 -0.220 0.000 1.005 217 E CA 1.752 58.104 56.400 -0.080 0.000 0.810 217 E CB -0.038 29.659 29.700 -0.004 0.000 0.736 217 E HN 0.360 nan 8.360 nan 0.000 0.460 218 V N -3.266 116.451 119.914 -0.328 0.000 3.605 218 V HA 0.107 4.227 4.120 -0.000 0.000 0.284 218 V C 1.776 177.650 176.094 -0.367 0.000 1.386 218 V CA -0.064 61.933 62.300 -0.504 0.000 1.053 218 V CB 0.458 31.782 31.823 -0.832 0.000 0.857 218 V HN 0.079 nan 8.190 nan 0.000 0.436 219 M N 1.982 121.443 119.600 -0.231 0.000 2.108 219 M HA -0.176 4.304 4.480 -0.000 0.000 0.257 219 M C 2.197 178.387 176.300 -0.184 0.000 1.071 219 M CA 2.516 57.706 55.300 -0.182 0.000 1.093 219 M CB -1.045 31.482 32.600 -0.122 0.000 1.345 219 M HN 0.620 nan 8.290 nan 0.000 0.403 220 A N -1.319 121.397 122.820 -0.173 0.000 2.119 220 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 220 A C 1.965 179.440 177.584 -0.181 0.000 1.152 220 A CA 0.839 52.780 52.037 -0.161 0.000 0.708 220 A CB -0.375 18.545 19.000 -0.133 0.000 0.805 220 A HN 0.523 nan 8.150 nan 0.000 0.460 221 E N -0.042 120.025 120.200 -0.221 0.000 2.318 221 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 221 E C 0.464 176.946 176.600 -0.195 0.000 0.998 221 E CA 0.675 56.941 56.400 -0.222 0.000 0.859 221 E CB 0.187 29.754 29.700 -0.222 0.000 0.812 221 E HN 0.545 nan 8.360 nan 0.000 0.492 222 V N -0.783 119.023 119.914 -0.180 0.000 2.539 222 V HA 0.231 4.351 4.120 -0.000 0.000 0.292 222 V C 0.543 176.605 176.094 -0.053 0.000 1.045 222 V CA -0.571 61.689 62.300 -0.066 0.000 0.945 222 V CB 1.881 33.641 31.823 -0.105 0.000 0.993 222 V HN -0.157 nan 8.190 nan 0.000 0.464 223 D N 2.270 122.678 120.400 0.013 0.000 2.216 223 D HA 0.210 4.850 4.640 -0.000 0.000 0.208 223 D C 0.329 176.623 176.300 -0.009 0.000 0.960 223 D CA 1.277 55.267 54.000 -0.016 0.000 0.861 223 D CB 0.598 41.399 40.800 0.001 0.000 0.985 223 D HN 0.418 nan 8.370 nan 0.000 0.493 224 I N 1.598 122.186 120.570 0.030 0.000 2.498 224 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 224 I C -0.664 175.512 176.117 0.099 0.000 1.032 224 I CA -0.882 60.458 61.300 0.067 0.000 1.073 224 I CB 2.240 40.294 38.000 0.090 0.000 1.251 224 I HN -0.170 nan 8.210 nan 0.000 0.426 225 L N 7.983 129.270 121.223 0.106 0.000 2.318 225 L HA 0.417 4.757 4.340 -0.000 0.000 0.277 225 L C -1.461 175.504 176.870 0.158 0.000 1.008 225 L CA -0.367 54.535 54.840 0.104 0.000 0.846 225 L CB 0.990 43.069 42.059 0.033 0.000 1.220 225 L HN 0.432 nan 8.230 nan 0.000 0.423 226 Y N 6.302 126.636 120.300 0.057 0.000 2.594 226 Y HA 0.475 5.025 4.550 -0.000 0.000 0.342 226 Y C -0.232 175.659 175.900 -0.015 0.000 1.010 226 Y CA -0.675 57.452 58.100 0.045 0.000 1.270 226 Y CB 0.518 39.022 38.460 0.073 0.000 1.125 226 Y HN 0.495 nan 8.280 nan 0.000 0.513 227 M N 4.959 124.390 119.600 -0.281 0.000 2.211 227 M HA 0.230 4.710 4.480 -0.000 0.000 0.356 227 M C 0.290 176.189 176.300 -0.669 0.000 1.216 227 M CA 0.030 55.130 55.300 -0.333 0.000 1.134 227 M CB 0.779 33.230 32.600 -0.248 0.000 1.564 227 M HN 0.643 nan 8.290 nan 0.000 0.463 228 T N 0.577 114.904 114.554 -0.378 0.000 2.926 228 T HA 0.724 5.074 4.350 -0.000 0.000 0.289 228 T C -0.290 174.314 174.700 -0.161 0.000 1.054 228 T CA -1.137 60.765 62.100 -0.329 0.000 1.015 228 T CB 2.588 71.427 68.868 -0.049 0.000 1.167 228 T HN 0.745 nan 8.240 nan 0.000 0.526 229 R N 0.679 121.178 120.500 -0.002 0.000 2.532 229 R HA 0.581 4.921 4.340 -0.000 0.000 0.295 229 R C -0.972 175.382 176.300 0.090 0.000 0.968 229 R CA -0.710 55.449 56.100 0.098 0.000 0.916 229 R CB 1.326 31.725 30.300 0.165 0.000 1.124 229 R HN 0.564 nan 8.270 nan 0.000 0.463 230 V N 4.733 124.701 119.914 0.089 0.000 2.540 230 V HA -0.029 4.091 4.120 -0.000 0.000 0.297 230 V C 0.411 176.554 176.094 0.081 0.000 1.024 230 V CA 0.247 62.607 62.300 0.099 0.000 1.105 230 V CB 1.156 33.028 31.823 0.082 0.000 0.938 230 V HN 0.712 nan 8.190 nan 0.000 0.482 231 Q N 5.024 124.886 119.800 0.103 0.000 2.837 231 Q HA 0.129 4.469 4.340 -0.000 0.000 0.235 231 Q C 1.127 177.108 176.000 -0.032 0.000 1.348 231 Q CA -0.029 55.803 55.803 0.048 0.000 0.990 231 Q CB 0.036 28.821 28.738 0.080 0.000 1.570 231 Q HN 0.661 nan 8.270 nan 0.000 0.575 232 K N 1.209 121.595 120.400 -0.024 0.000 2.074 232 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 232 K C 1.597 178.148 176.600 -0.083 0.000 1.048 232 K CA 1.577 57.826 56.287 -0.062 0.000 0.926 232 K CB 0.242 32.695 32.500 -0.078 0.000 0.713 232 K HN 0.442 nan 8.250 nan 0.000 0.444 233 E N 0.971 121.130 120.200 -0.069 0.000 2.478 233 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 233 E C 1.250 177.792 176.600 -0.096 0.000 1.046 233 E CA 1.018 57.383 56.400 -0.059 0.000 0.870 233 E CB 0.051 29.733 29.700 -0.030 0.000 0.818 233 E HN 0.302 nan 8.360 nan 0.000 0.527 234 R N 0.118 120.495 120.500 -0.204 0.000 2.335 234 R HA 0.344 4.684 4.340 -0.000 0.000 0.210 234 R C 0.757 176.693 176.300 -0.606 0.000 0.892 234 R CA -0.259 55.615 56.100 -0.377 0.000 1.048 234 R CB 0.450 30.479 30.300 -0.453 0.000 1.067 234 R HN 0.068 nan 8.270 nan 0.000 0.524 235 L N 1.644 122.630 121.223 -0.396 0.000 2.483 235 L HA 0.011 4.351 4.340 -0.000 0.000 0.276 235 L C 0.521 177.401 176.870 0.016 0.000 1.213 235 L CA 0.323 55.058 54.840 -0.174 0.000 0.843 235 L CB 0.238 42.384 42.059 0.145 0.000 1.107 235 L HN 0.149 nan 8.230 nan 0.000 0.487 236 D N 2.844 123.256 120.400 0.020 0.000 2.283 236 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 236 D C -1.876 174.222 176.300 -0.337 0.000 1.072 236 D CA -1.753 52.210 54.000 -0.060 0.000 0.929 236 D CB 2.259 43.057 40.800 -0.003 0.000 1.182 236 D HN 0.195 nan 8.370 nan 0.000 0.433 237 P HA -0.154 nan 4.420 nan 0.000 0.217 237 P C 1.306 178.203 177.300 -0.671 0.000 1.148 237 P CA 1.433 63.825 63.100 -1.180 0.000 0.828 237 P CB 0.089 31.426 31.700 -0.605 0.000 0.783 238 S N -0.809 114.709 115.700 -0.304 0.000 2.469 238 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 238 S C 1.577 176.135 174.600 -0.071 0.000 0.998 238 S CA 1.024 59.138 58.200 -0.143 0.000 0.957 238 S CB -0.953 62.205 63.200 -0.071 0.000 0.764 238 S HN 0.293 nan 8.310 nan 0.000 0.514 239 E N -0.339 119.831 120.200 -0.050 0.000 2.479 239 E HA 0.120 4.469 4.350 -0.000 0.000 0.193 239 E C 0.574 177.296 176.600 0.204 0.000 1.049 239 E CA -0.135 56.322 56.400 0.095 0.000 0.870 239 E CB -0.094 29.710 29.700 0.173 0.000 0.944 239 E HN 0.473 nan 8.360 nan 0.000 0.492 240 Y N 0.737 121.054 120.300 0.030 0.000 2.465 240 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 240 Y C 2.248 178.158 175.900 0.017 0.000 1.150 240 Y CA 0.558 58.669 58.100 0.019 0.000 1.293 240 Y CB -0.906 37.560 38.460 0.010 0.000 0.977 240 Y HN 0.111 nan 8.280 nan 0.000 0.556 241 A N 0.413 123.332 122.820 0.165 0.000 1.978 241 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 241 A C 1.839 179.467 177.584 0.074 0.000 1.170 241 A CA 1.870 53.964 52.037 0.094 0.000 0.636 241 A CB -0.875 18.163 19.000 0.064 0.000 0.810 241 A HN 0.541 nan 8.150 nan 0.000 0.448 242 N N -0.533 118.224 118.700 0.095 0.000 2.370 242 N HA 0.157 4.897 4.740 -0.000 0.000 0.198 242 N C 0.944 176.495 175.510 0.069 0.000 1.156 242 N CA 0.312 53.408 53.050 0.076 0.000 0.839 242 N CB 0.327 38.877 38.487 0.105 0.000 0.989 242 N HN 0.222 nan 8.380 nan 0.000 0.468 243 V N 0.381 120.328 119.914 0.055 0.000 2.407 243 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 243 V C 1.145 177.241 176.094 0.003 0.000 1.055 243 V CA 1.344 63.652 62.300 0.013 0.000 1.049 243 V CB -0.196 31.600 31.823 -0.045 0.000 0.662 243 V HN 0.301 nan 8.190 nan 0.000 0.455 244 K N 0.800 121.198 120.400 -0.002 0.000 2.185 244 K HA 0.455 4.775 4.320 -0.000 0.000 0.271 244 K C 0.100 176.693 176.600 -0.013 0.000 1.013 244 K CA 0.084 56.364 56.287 -0.010 0.000 0.943 244 K CB 1.028 33.518 32.500 -0.018 0.000 0.998 244 K HN 0.271 nan 8.250 nan 0.000 0.468 245 A N 2.317 125.134 122.820 -0.005 0.000 2.520 245 A HA -0.037 4.283 4.320 -0.000 0.000 0.245 245 A C 1.185 178.720 177.584 -0.081 0.000 1.072 245 A CA 0.263 52.297 52.037 -0.005 0.000 0.761 245 A CB 0.134 19.152 19.000 0.030 0.000 1.004 245 A HN 0.801 nan 8.150 nan 0.000 0.499 246 Q N 0.824 120.508 119.800 -0.193 0.000 2.302 246 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 246 Q C -0.959 174.684 176.000 -0.595 0.000 0.936 246 Q CA 0.777 56.284 55.803 -0.493 0.000 0.886 246 Q CB 0.179 28.386 28.738 -0.885 0.000 0.986 246 Q HN 0.763 nan 8.270 nan 0.000 0.487 247 F N 0.164 120.140 119.950 0.043 0.000 2.460 247 F HA 0.399 4.926 4.527 -0.000 0.000 0.341 247 F C -0.487 175.333 175.800 0.034 0.000 1.130 247 F CA -0.908 57.116 58.000 0.041 0.000 0.962 247 F CB 1.487 40.517 39.000 0.049 0.000 1.171 247 F HN -0.356 nan 8.300 nan 0.000 0.436 248 V N 4.694 124.706 119.914 0.164 0.000 2.513 248 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 248 V C -0.799 175.356 176.094 0.102 0.000 1.035 248 V CA -0.792 61.570 62.300 0.104 0.000 0.889 248 V CB 2.126 33.986 31.823 0.062 0.000 0.988 248 V HN 0.565 nan 8.190 nan 0.000 0.440 249 L N 6.544 127.818 121.223 0.085 0.000 2.296 249 L HA 0.678 5.018 4.340 -0.000 0.000 0.286 249 L C -0.097 176.815 176.870 0.070 0.000 1.023 249 L CA 0.178 55.064 54.840 0.075 0.000 0.812 249 L CB 1.077 43.180 42.059 0.072 0.000 1.223 249 L HN 0.621 nan 8.230 nan 0.000 0.421 250 R N 3.367 123.907 120.500 0.067 0.000 2.892 250 R HA 0.658 4.998 4.340 -0.000 0.000 0.265 250 R C 0.751 177.094 176.300 0.073 0.000 1.025 250 R CA -0.339 55.800 56.100 0.066 0.000 0.982 250 R CB 1.449 31.781 30.300 0.053 0.000 1.185 250 R HN 0.754 nan 8.270 nan 0.000 0.484 251 A N 0.974 123.841 122.820 0.079 0.000 1.948 251 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 251 A C 2.005 179.637 177.584 0.080 0.000 1.177 251 A CA 2.364 54.455 52.037 0.089 0.000 0.636 251 A CB -0.809 18.242 19.000 0.085 0.000 0.815 251 A HN 0.835 nan 8.150 nan 0.000 0.449 252 S N 0.770 116.507 115.700 0.062 0.000 2.387 252 S HA -0.211 4.259 4.470 -0.000 0.000 0.230 252 S C 1.166 175.808 174.600 0.070 0.000 1.035 252 S CA 1.486 59.718 58.200 0.054 0.000 1.014 252 S CB -0.623 62.593 63.200 0.026 0.000 0.836 252 S HN 0.629 nan 8.310 nan 0.000 0.466 253 D N 1.712 122.149 120.400 0.062 0.000 2.348 253 D HA 0.093 4.733 4.640 -0.000 0.000 0.216 253 D C 1.387 177.719 176.300 0.054 0.000 0.970 253 D CA 0.409 54.445 54.000 0.060 0.000 0.889 253 D CB -0.332 40.495 40.800 0.046 0.000 0.912 253 D HN 0.427 nan 8.370 nan 0.000 0.524 254 L N 0.539 121.793 121.223 0.051 0.000 2.650 254 L HA -0.012 4.327 4.340 -0.000 0.000 0.235 254 L C 2.145 179.031 176.870 0.027 0.000 1.149 254 L CA 0.054 54.889 54.840 -0.009 0.000 0.887 254 L CB -0.630 41.439 42.059 0.017 0.000 1.021 254 L HN 0.178 nan 8.230 nan 0.000 0.441 255 H N 2.727 121.791 119.070 -0.010 0.000 2.368 255 H HA -0.228 4.328 4.556 -0.000 0.000 0.292 255 H C 0.604 175.925 175.328 -0.012 0.000 1.117 255 H CA 2.028 58.075 56.048 -0.002 0.000 1.231 255 H CB 0.353 30.113 29.762 -0.004 0.000 1.359 255 H HN 0.593 nan 8.280 nan 0.000 0.490 256 N N -0.482 118.065 118.700 -0.256 0.000 2.536 256 N HA 0.264 5.004 4.740 -0.000 0.000 0.286 256 N C -0.703 174.697 175.510 -0.183 0.000 1.577 256 N CA 0.118 52.981 53.050 -0.310 0.000 0.883 256 N CB 0.838 39.093 38.487 -0.387 0.000 1.390 256 N HN 0.185 nan 8.380 nan 0.000 0.491 257 A N 1.395 124.117 122.820 -0.163 0.000 2.371 257 A HA 0.284 4.604 4.320 -0.000 0.000 0.257 257 A C 0.448 177.962 177.584 -0.118 0.000 1.089 257 A CA -0.306 51.621 52.037 -0.183 0.000 0.794 257 A CB 0.635 19.437 19.000 -0.331 0.000 1.029 257 A HN 0.296 nan 8.150 nan 0.000 0.488 258 K N 1.051 121.385 120.400 -0.110 0.000 2.527 258 K HA 0.147 4.467 4.320 -0.000 0.000 0.278 258 K C 1.358 177.969 176.600 0.018 0.000 0.981 258 K CA 0.411 56.659 56.287 -0.066 0.000 1.009 258 K CB 0.441 32.888 32.500 -0.089 0.000 0.895 258 K HN 0.747 nan 8.250 nan 0.000 0.493 259 A N 3.300 126.135 122.820 0.024 0.000 1.940 259 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 259 A C 1.753 179.362 177.584 0.042 0.000 1.176 259 A CA 1.916 53.989 52.037 0.061 0.000 0.631 259 A CB -0.584 18.409 19.000 -0.011 0.000 0.814 259 A HN 0.965 nan 8.150 nan 0.000 0.446 260 N N -0.848 117.841 118.700 -0.019 0.000 2.396 260 N HA -0.072 4.668 4.740 -0.000 0.000 0.180 260 N C 0.949 176.423 175.510 -0.060 0.000 1.028 260 N CA 0.431 53.440 53.050 -0.069 0.000 0.893 260 N CB -0.434 37.998 38.487 -0.091 0.000 0.967 260 N HN 0.392 nan 8.380 nan 0.000 0.440 261 M N 1.981 121.580 119.600 -0.002 0.000 2.255 261 M HA -0.026 4.454 4.480 -0.000 0.000 0.356 261 M C -0.597 175.749 176.300 0.076 0.000 1.338 261 M CA 0.834 56.131 55.300 -0.004 0.000 0.962 261 M CB 0.204 32.760 32.600 -0.073 0.000 1.877 261 M HN 0.020 nan 8.290 nan 0.000 0.463 262 K N 4.400 124.804 120.400 0.006 0.000 2.316 262 K HA 0.546 4.866 4.320 -0.000 0.000 0.251 262 K C -1.319 175.346 176.600 0.108 0.000 0.934 262 K CA -0.738 55.576 56.287 0.045 0.000 0.802 262 K CB 2.053 34.487 32.500 -0.111 0.000 1.171 262 K HN 0.527 nan 8.250 nan 0.000 0.426 263 V N 4.352 124.373 119.914 0.179 0.000 2.348 263 V HA 0.345 4.465 4.120 -0.000 0.000 0.270 263 V C 0.261 176.520 176.094 0.276 0.000 1.037 263 V CA -0.699 61.724 62.300 0.204 0.000 0.872 263 V CB 0.575 32.552 31.823 0.258 0.000 1.002 263 V HN 0.476 nan 8.190 nan 0.000 0.464 264 L N 4.509 125.855 121.223 0.204 0.000 2.334 264 L HA 0.722 5.062 4.340 -0.000 0.000 0.270 264 L C -0.475 176.358 176.870 -0.061 0.000 1.018 264 L CA -0.665 54.277 54.840 0.169 0.000 0.811 264 L CB 1.886 44.075 42.059 0.217 0.000 1.271 264 L HN 0.620 nan 8.230 nan 0.000 0.443 265 H N 2.821 121.754 119.070 -0.227 0.000 3.087 265 H HA 0.214 4.770 4.556 -0.000 0.000 0.348 265 H C -2.481 172.684 175.328 -0.272 0.000 1.092 265 H CA -1.347 54.462 56.048 -0.399 0.000 1.285 265 H CB 2.919 32.454 29.762 -0.379 0.000 1.875 265 H HN 0.234 nan 8.280 nan 0.000 0.512 266 P HA -0.025 nan 4.420 nan 0.000 0.218 266 P C -0.106 177.294 177.300 0.166 0.000 1.149 266 P CA 0.542 63.720 63.100 0.130 0.000 0.817 266 P CB 1.236 33.020 31.700 0.141 0.000 0.785 267 L N -2.143 119.230 121.223 0.249 0.000 0.584 267 L HA -0.069 4.271 4.340 -0.000 0.000 0.356 267 L C -2.287 174.631 176.870 0.080 0.000 1.004 267 L CA -0.970 53.861 54.840 -0.015 0.000 1.223 267 L CB -1.600 40.426 42.059 -0.055 0.000 0.012 267 L HN 0.085 nan 8.230 nan 0.000 0.091 268 P HA 0.344 nan 4.420 nan 0.000 0.276 268 P C -1.377 175.854 177.300 -0.116 0.000 1.244 268 P CA -0.479 62.600 63.100 -0.036 0.000 0.801 268 P CB 0.854 32.560 31.700 0.009 0.000 1.006 269 R N 0.326 120.672 120.500 -0.256 0.000 2.589 269 R HA 0.613 4.953 4.340 -0.000 0.000 0.293 269 R C -0.146 176.099 176.300 -0.093 0.000 0.963 269 R CA -0.947 54.981 56.100 -0.287 0.000 0.905 269 R CB 1.120 31.053 30.300 -0.611 0.000 1.144 269 R HN 0.119 nan 8.270 nan 0.000 0.459 270 V N 0.532 120.437 119.914 -0.015 0.000 3.608 270 V HA 0.012 4.132 4.120 -0.000 0.000 0.203 270 V C 0.732 176.824 176.094 -0.004 0.000 1.154 270 V CA 0.767 63.064 62.300 -0.005 0.000 1.386 270 V CB 0.221 32.052 31.823 0.013 0.000 1.486 270 V HN 1.002 nan 8.190 nan 0.000 0.491 271 D N -0.037 120.371 120.400 0.013 0.000 2.417 271 D HA -0.065 4.575 4.640 -0.000 0.000 0.207 271 D C 1.632 177.948 176.300 0.027 0.000 1.075 271 D CA 0.508 54.516 54.000 0.014 0.000 0.851 271 D CB -0.386 40.421 40.800 0.012 0.000 0.976 271 D HN 0.590 nan 8.370 nan 0.000 0.505 272 E N 1.496 121.724 120.200 0.046 0.000 2.204 272 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 272 E C 0.667 177.300 176.600 0.054 0.000 0.990 272 E CA 0.519 56.960 56.400 0.069 0.000 0.821 272 E CB 0.044 29.804 29.700 0.100 0.000 0.750 272 E HN 0.356 nan 8.360 nan 0.000 0.477 273 I N 1.666 122.244 120.570 0.014 0.000 2.382 273 I HA 0.354 4.524 4.170 -0.000 0.000 0.286 273 I C 0.008 176.126 176.117 0.001 0.000 1.002 273 I CA -0.985 60.311 61.300 -0.007 0.000 1.135 273 I CB 1.706 39.634 38.000 -0.121 0.000 1.288 273 I HN -0.020 nan 8.210 nan 0.000 0.448 274 A N 3.759 126.601 122.820 0.037 0.000 2.425 274 A HA 0.251 4.570 4.320 -0.000 0.000 0.242 274 A C 1.357 178.982 177.584 0.067 0.000 1.077 274 A CA 0.072 52.136 52.037 0.046 0.000 0.781 274 A CB 0.185 19.216 19.000 0.052 0.000 1.020 274 A HN 0.859 nan 8.150 nan 0.000 0.494 275 T N -1.454 113.142 114.554 0.069 0.000 3.118 275 T HA -0.060 4.290 4.350 -0.000 0.000 0.260 275 T C 0.709 175.474 174.700 0.108 0.000 1.139 275 T CA 1.116 63.276 62.100 0.099 0.000 1.085 275 T CB -0.407 68.510 68.868 0.083 0.000 0.934 275 T HN 0.742 nan 8.240 nan 0.000 0.518 276 D N 1.546 122.000 120.400 0.089 0.000 2.277 276 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 276 D C 1.876 178.240 176.300 0.107 0.000 0.962 276 D CA 0.243 54.294 54.000 0.085 0.000 0.865 276 D CB -0.817 40.024 40.800 0.067 0.000 0.939 276 D HN 0.411 nan 8.370 nan 0.000 0.510 277 V N 1.300 121.294 119.914 0.133 0.000 2.490 277 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 277 V C 1.638 177.841 176.094 0.182 0.000 1.061 277 V CA 1.950 64.351 62.300 0.167 0.000 1.064 277 V CB -0.673 31.273 31.823 0.205 0.000 0.670 277 V HN 0.043 nan 8.190 nan 0.000 0.461 278 D N 0.458 120.984 120.400 0.209 0.000 2.190 278 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 278 D C 1.828 178.183 176.300 0.093 0.000 0.992 278 D CA 1.152 55.262 54.000 0.183 0.000 0.854 278 D CB -0.239 40.703 40.800 0.238 0.000 0.936 278 D HN 0.393 nan 8.370 nan 0.000 0.462 279 K N -0.159 120.294 120.400 0.088 0.000 2.437 279 K HA 0.126 4.446 4.320 -0.000 0.000 0.198 279 K C 0.348 176.978 176.600 0.050 0.000 1.024 279 K CA -0.033 56.288 56.287 0.057 0.000 1.148 279 K CB 0.446 32.977 32.500 0.052 0.000 0.860 279 K HN 0.187 nan 8.250 nan 0.000 0.515 280 T N -2.288 112.305 114.554 0.064 0.000 2.934 280 T HA 0.285 4.635 4.350 -0.000 0.000 0.283 280 T C -1.776 172.930 174.700 0.009 0.000 1.005 280 T CA -2.007 60.126 62.100 0.056 0.000 1.041 280 T CB 1.435 70.383 68.868 0.135 0.000 1.042 280 T HN -0.150 nan 8.240 nan 0.000 0.505 281 P HA -0.027 nan 4.420 nan 0.000 0.239 281 P C 0.687 177.904 177.300 -0.139 0.000 1.184 281 P CA 0.679 63.706 63.100 -0.122 0.000 0.760 281 P CB -0.036 31.536 31.700 -0.213 0.000 0.884 282 H N -0.053 119.060 119.070 0.072 0.000 2.547 282 H HA 0.268 4.824 4.556 -0.000 0.000 0.272 282 H C 0.898 176.288 175.328 0.104 0.000 0.971 282 H CA 0.074 56.161 56.048 0.065 0.000 1.245 282 H CB -0.007 29.783 29.762 0.047 0.000 1.440 282 H HN 0.089 nan 8.280 nan 0.000 0.540 283 A N 0.976 123.884 122.820 0.147 0.000 2.438 283 A HA -0.022 4.298 4.320 -0.000 0.000 0.280 283 A C 0.377 177.899 177.584 -0.104 0.000 1.160 283 A CA -0.168 51.793 52.037 -0.125 0.000 0.821 283 A CB -0.576 18.233 19.000 -0.319 0.000 1.101 283 A HN 0.625 nan 8.150 nan 0.000 0.515 284 W N 3.525 124.609 121.300 -0.359 0.000 2.862 284 W HA 0.089 4.749 4.660 -0.000 0.000 0.376 284 W C 0.166 176.524 176.519 -0.268 0.000 1.028 284 W CA -0.047 57.156 57.345 -0.237 0.000 1.757 284 W CB 0.315 29.729 29.460 -0.077 0.000 1.128 284 W HN 1.084 nan 8.180 nan 0.000 0.566 285 Y N -2.290 117.923 120.300 -0.145 0.000 2.497 285 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 285 Y C 1.463 177.104 175.900 -0.433 0.000 1.137 285 Y CA 0.737 58.658 58.100 -0.297 0.000 1.285 285 Y CB -1.465 36.743 38.460 -0.421 0.000 0.991 285 Y HN -0.210 nan 8.280 nan 0.000 0.556 286 F N 0.224 120.080 119.950 -0.157 0.000 2.698 286 F HA 0.074 4.601 4.527 -0.000 0.000 0.295 286 F C 1.833 177.518 175.800 -0.192 0.000 1.124 286 F CA -0.042 57.894 58.000 -0.108 0.000 1.426 286 F CB -0.354 38.578 39.000 -0.113 0.000 1.120 286 F HN -0.001 nan 8.300 nan 0.000 0.583 287 Q N 0.094 119.726 119.800 -0.279 0.000 2.123 287 Q HA -0.164 4.176 4.340 -0.000 0.000 0.199 287 Q C 2.204 178.130 176.000 -0.123 0.000 0.966 287 Q CA 1.181 56.761 55.803 -0.372 0.000 0.845 287 Q CB -0.472 27.630 28.738 -1.060 0.000 0.907 287 Q HN 0.464 nan 8.270 nan 0.000 0.439 288 Q N -0.074 119.678 119.800 -0.080 0.000 2.084 288 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 288 Q C 1.813 177.879 176.000 0.111 0.000 0.978 288 Q CA 1.520 57.389 55.803 0.111 0.000 0.844 288 Q CB -0.148 28.681 28.738 0.152 0.000 0.898 288 Q HN 0.417 nan 8.270 nan 0.000 0.426 289 A N 0.319 123.191 122.820 0.087 0.000 1.898 289 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 289 A C 2.272 179.889 177.584 0.055 0.000 1.181 289 A CA 1.421 53.512 52.037 0.090 0.000 0.620 289 A CB -1.205 17.880 19.000 0.140 0.000 0.819 289 A HN 0.595 nan 8.150 nan 0.000 0.442 290 G N -0.083 108.752 108.800 0.059 0.000 2.450 290 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 290 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 290 G C 1.302 176.230 174.900 0.047 0.000 1.130 290 G CA 1.095 46.217 45.100 0.038 0.000 0.760 290 G HN 0.704 nan 8.290 nan 0.000 0.557 291 N N 0.397 119.211 118.700 0.191 0.000 2.571 291 N HA 0.028 4.768 4.740 -0.000 0.000 0.189 291 N C 2.190 177.780 175.510 0.133 0.000 1.154 291 N CA 0.282 53.558 53.050 0.377 0.000 0.907 291 N CB 0.010 38.825 38.487 0.546 0.000 0.977 291 N HN 0.333 nan 8.380 nan 0.000 0.449 292 G N 0.973 109.758 108.800 -0.024 0.000 2.422 292 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 292 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 292 G C 1.380 176.121 174.900 -0.265 0.000 1.140 292 G CA 0.221 45.248 45.100 -0.120 0.000 0.775 292 G HN 0.165 nan 8.290 nan 0.000 0.545 293 I N 0.539 120.862 120.570 -0.413 0.000 2.179 293 I HA -0.074 4.095 4.170 -0.000 0.000 0.242 293 I C 2.446 178.211 176.117 -0.587 0.000 1.088 293 I CA 1.110 62.078 61.300 -0.554 0.000 1.357 293 I CB -1.058 36.490 38.000 -0.754 0.000 1.051 293 I HN 0.114 nan 8.210 nan 0.000 0.409 294 F N 1.103 120.999 119.950 -0.089 0.000 2.187 294 F HA 0.042 4.569 4.527 -0.000 0.000 0.295 294 F C 2.654 178.286 175.800 -0.279 0.000 1.091 294 F CA 0.897 58.789 58.000 -0.180 0.000 1.308 294 F CB -1.381 37.475 39.000 -0.240 0.000 1.030 294 F HN -0.028 nan 8.300 nan 0.000 0.487 295 A N 0.497 123.211 122.820 -0.176 0.000 1.902 295 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 295 A C 2.312 179.818 177.584 -0.131 0.000 1.181 295 A CA 1.577 53.505 52.037 -0.181 0.000 0.623 295 A CB -0.647 18.290 19.000 -0.105 0.000 0.818 295 A HN 0.311 nan 8.150 nan 0.000 0.443 296 R N -0.878 119.507 120.500 -0.191 0.000 2.090 296 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 296 R C 2.486 178.751 176.300 -0.057 0.000 1.110 296 R CA 1.258 57.230 56.100 -0.213 0.000 0.973 296 R CB -0.278 29.695 30.300 -0.544 0.000 0.869 296 R HN 0.660 nan 8.270 nan 0.000 0.440 297 Q N 0.223 119.985 119.800 -0.063 0.000 2.061 297 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 297 Q C 2.250 178.266 176.000 0.026 0.000 0.984 297 Q CA 1.794 57.599 55.803 0.003 0.000 0.846 297 Q CB -0.213 28.532 28.738 0.012 0.000 0.902 297 Q HN 0.368 nan 8.270 nan 0.000 0.421 298 A N 0.730 123.552 122.820 0.002 0.000 1.892 298 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 298 A C 2.027 179.635 177.584 0.040 0.000 1.188 298 A CA 1.447 53.490 52.037 0.010 0.000 0.631 298 A CB -0.682 18.301 19.000 -0.028 0.000 0.822 298 A HN 0.352 nan 8.150 nan 0.000 0.447 299 L N -0.673 120.581 121.223 0.052 0.000 2.093 299 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 299 L C 2.284 179.222 176.870 0.114 0.000 1.085 299 L CA 1.424 56.319 54.840 0.091 0.000 0.755 299 L CB -0.346 41.785 42.059 0.120 0.000 0.904 299 L HN 0.399 nan 8.230 nan 0.000 0.435 300 L N -1.139 120.161 121.223 0.129 0.000 2.141 300 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 300 L C 2.566 179.494 176.870 0.096 0.000 1.094 300 L CA 0.943 55.858 54.840 0.125 0.000 0.763 300 L CB -0.662 41.482 42.059 0.140 0.000 0.908 300 L HN 0.342 nan 8.230 nan 0.000 0.437 301 A N 0.070 122.939 122.820 0.082 0.000 1.873 301 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 301 A C 2.184 179.821 177.584 0.087 0.000 1.186 301 A CA 1.331 53.412 52.037 0.073 0.000 0.616 301 A CB -0.587 18.446 19.000 0.056 0.000 0.823 301 A HN 0.348 nan 8.150 nan 0.000 0.442 302 L N -0.761 120.516 121.223 0.089 0.000 2.109 302 L HA -0.092 4.247 4.340 -0.000 0.000 0.207 302 L C 2.402 179.367 176.870 0.158 0.000 1.086 302 L CA 0.630 55.535 54.840 0.108 0.000 0.760 302 L CB -0.338 41.774 42.059 0.088 0.000 0.910 302 L HN 0.223 nan 8.230 nan 0.000 0.437 303 V N -0.199 119.790 119.914 0.125 0.000 2.548 303 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 303 V C 1.791 177.954 176.094 0.115 0.000 1.055 303 V CA 1.336 63.689 62.300 0.088 0.000 1.065 303 V CB -0.069 31.782 31.823 0.045 0.000 0.681 303 V HN 0.351 nan 8.190 nan 0.000 0.462 304 L N -0.155 121.169 121.223 0.168 0.000 2.700 304 L HA 0.333 4.673 4.340 -0.000 0.000 0.234 304 L C 0.016 177.076 176.870 0.317 0.000 1.156 304 L CA 0.152 55.117 54.840 0.207 0.000 0.946 304 L CB 0.030 42.158 42.059 0.114 0.000 1.216 304 L HN 0.251 nan 8.230 nan 0.000 0.493 305 N N -0.167 118.710 118.700 0.295 0.000 2.371 305 N HA 0.237 4.977 4.740 -0.000 0.000 0.291 305 N C 0.395 175.777 175.510 -0.213 0.000 1.053 305 N CA -0.408 52.677 53.050 0.059 0.000 0.870 305 N CB 2.329 40.832 38.487 0.027 0.000 1.503 305 N HN -0.052 nan 8.380 nan 0.000 0.485 306 R N 0.975 121.080 120.500 -0.658 0.000 2.070 306 R HA 0.002 4.342 4.340 -0.000 0.000 0.233 306 R C -0.499 175.560 176.300 -0.402 0.000 1.137 306 R CA 1.373 56.859 56.100 -1.023 0.000 0.945 306 R CB 0.276 30.098 30.300 -0.796 0.000 0.845 306 R HN 0.582 nan 8.270 nan 0.000 0.430 307 D N -0.273 119.989 120.400 -0.231 0.000 2.619 307 D HA 0.261 4.901 4.640 -0.000 0.000 0.241 307 D C -1.512 174.745 176.300 -0.071 0.000 1.087 307 D CA -0.547 53.384 54.000 -0.115 0.000 0.851 307 D CB 2.340 43.086 40.800 -0.090 0.000 1.474 307 D HN -0.055 nan 8.370 nan 0.000 0.478 308 L N 1.951 123.153 121.223 -0.034 0.000 2.381 308 L HA 0.371 4.711 4.340 -0.000 0.000 0.274 308 L C -1.317 175.550 176.870 -0.006 0.000 0.988 308 L CA -0.670 54.162 54.840 -0.013 0.000 0.824 308 L CB 1.940 44.001 42.059 0.004 0.000 1.263 308 L HN 0.127 nan 8.230 nan 0.000 0.410 309 V N 6.855 126.767 119.914 -0.003 0.000 2.293 309 V HA 0.604 4.724 4.120 -0.000 0.000 0.275 309 V C -0.095 176.002 176.094 0.006 0.000 1.021 309 V CA -0.217 62.083 62.300 0.000 0.000 0.815 309 V CB 1.002 32.824 31.823 -0.002 0.000 1.025 309 V HN 0.680 nan 8.190 nan 0.000 0.448 310 L N 0.000 121.229 121.223 0.010 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.849 54.840 0.014 0.000 0.813 310 L CB 0.000 42.070 42.059 0.018 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502