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 1rac_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD 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 0.000 177.578 177.584 -0.011 0.000 1.274 1 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 1 A CB 0.000 18.943 19.000 -0.095 0.000 0.831 2 N N 2.399 121.105 118.700 0.011 0.000 2.482 2 N HA 0.465 5.205 4.740 -0.000 0.000 0.260 2 N C -1.104 174.461 175.510 0.091 0.000 1.236 2 N CA -0.705 52.376 53.050 0.052 0.000 0.938 2 N CB 0.719 39.240 38.487 0.057 0.000 1.128 2 N HN 0.266 nan 8.380 nan 0.000 0.448 3 P HA -0.146 nan 4.420 nan 0.000 0.220 3 P C 0.807 178.149 177.300 0.069 0.000 1.148 3 P CA 1.223 64.362 63.100 0.065 0.000 0.803 3 P CB 0.178 31.907 31.700 0.047 0.000 0.782 4 L N -2.546 118.724 121.223 0.078 0.000 2.558 4 L HA 0.100 4.439 4.340 -0.000 0.000 0.225 4 L C 1.162 178.065 176.870 0.055 0.000 1.128 4 L CA -0.514 54.359 54.840 0.055 0.000 0.868 4 L CB -0.803 41.290 42.059 0.056 0.000 1.006 4 L HN -0.092 nan 8.230 nan 0.000 0.454 5 Y N 2.397 122.691 120.300 -0.010 0.000 2.802 5 Y HA -0.140 4.410 4.550 -0.000 0.000 0.333 5 Y C 1.141 177.017 175.900 -0.040 0.000 1.244 5 Y CA 0.148 58.238 58.100 -0.017 0.000 1.558 5 Y CB -0.152 38.302 38.460 -0.010 0.000 1.233 5 Y HN 0.199 nan 8.280 nan 0.000 0.547 6 Q N 2.081 121.439 119.800 -0.735 0.000 2.481 6 Q HA -0.302 4.038 4.340 -0.000 0.000 0.272 6 Q C -0.591 175.155 176.000 -0.424 0.000 1.157 6 Q CA 1.101 56.516 55.803 -0.647 0.000 0.935 6 Q CB -0.527 27.694 28.738 -0.862 0.000 1.338 6 Q HN 0.716 nan 8.270 nan 0.000 0.494 7 K N 0.010 120.232 120.400 -0.296 0.000 2.087 7 K HA 0.326 4.646 4.320 -0.000 0.000 0.255 7 K C -0.413 175.994 176.600 -0.323 0.000 0.988 7 K CA -0.816 55.311 56.287 -0.268 0.000 0.915 7 K CB 0.706 33.145 32.500 -0.101 0.000 1.043 7 K HN 0.144 nan 8.250 nan 0.000 0.457 8 H N 2.171 121.222 119.070 -0.031 0.000 2.604 8 H HA 0.156 4.712 4.556 -0.000 0.000 0.306 8 H C -0.205 175.125 175.328 0.004 0.000 1.075 8 H CA -0.392 55.644 56.048 -0.020 0.000 1.357 8 H CB 0.605 30.353 29.762 -0.024 0.000 1.426 8 H HN 0.202 nan 8.280 nan 0.000 0.470 9 I N 5.829 126.461 120.570 0.103 0.000 2.256 9 I HA 0.046 4.216 4.170 -0.000 0.000 0.294 9 I C 1.261 177.442 176.117 0.106 0.000 1.127 9 I CA 0.219 61.577 61.300 0.097 0.000 1.247 9 I CB -0.644 37.419 38.000 0.104 0.000 1.460 9 I HN 0.605 nan 8.210 nan 0.000 0.511 10 I N 1.918 122.545 120.570 0.096 0.000 3.300 10 I HA 0.073 4.243 4.170 -0.000 0.000 0.279 10 I C 0.953 177.116 176.117 0.076 0.000 1.172 10 I CA 0.563 61.908 61.300 0.076 0.000 1.431 10 I CB 0.571 38.602 38.000 0.052 0.000 1.240 10 I HN 0.477 nan 8.210 nan 0.000 0.453 11 S N -0.717 115.027 115.700 0.074 0.000 2.569 11 S HA 0.364 4.834 4.470 -0.000 0.000 0.280 11 S C 0.306 174.953 174.600 0.078 0.000 1.111 11 S CA -0.576 57.669 58.200 0.074 0.000 0.887 11 S CB 1.739 64.972 63.200 0.055 0.000 1.095 11 S HN 0.121 nan 8.310 nan 0.000 0.476 12 I N 3.549 124.169 120.570 0.085 0.000 2.439 12 I HA 0.041 4.211 4.170 -0.000 0.000 0.251 12 I C 1.536 177.695 176.117 0.070 0.000 1.139 12 I CA 1.265 62.616 61.300 0.085 0.000 1.438 12 I CB -0.326 37.730 38.000 0.093 0.000 1.085 12 I HN 0.672 nan 8.210 nan 0.000 0.427 13 N N 0.908 119.645 118.700 0.061 0.000 2.513 13 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 13 N C 0.949 176.481 175.510 0.038 0.000 1.056 13 N CA 1.112 54.190 53.050 0.046 0.000 0.907 13 N CB -0.312 38.199 38.487 0.039 0.000 0.954 13 N HN 0.408 nan 8.380 nan 0.000 0.445 14 D N -0.570 119.856 120.400 0.043 0.000 2.367 14 D HA 0.131 4.770 4.640 -0.000 0.000 0.207 14 D C 0.127 176.451 176.300 0.040 0.000 1.034 14 D CA 0.119 54.142 54.000 0.038 0.000 0.861 14 D CB 0.619 41.445 40.800 0.042 0.000 0.943 14 D HN 0.203 nan 8.370 nan 0.000 0.515 15 L N 1.233 122.486 121.223 0.049 0.000 2.295 15 L HA 0.277 4.617 4.340 -0.000 0.000 0.285 15 L C 0.894 177.789 176.870 0.041 0.000 1.035 15 L CA -0.594 54.277 54.840 0.052 0.000 0.806 15 L CB 1.730 43.832 42.059 0.071 0.000 1.214 15 L HN -0.126 nan 8.230 nan 0.000 0.426 16 S N 2.775 118.491 115.700 0.026 0.000 2.686 16 S HA 0.313 4.783 4.470 -0.000 0.000 0.270 16 S C 1.049 175.638 174.600 -0.019 0.000 1.194 16 S CA -0.618 57.579 58.200 -0.005 0.000 0.990 16 S CB 1.355 64.549 63.200 -0.010 0.000 1.029 16 S HN 0.705 nan 8.310 nan 0.000 0.560 17 R N 0.268 120.707 120.500 -0.102 0.000 2.081 17 R HA -0.126 4.213 4.340 -0.000 0.000 0.235 17 R C 1.113 177.391 176.300 -0.036 0.000 1.131 17 R CA 1.968 57.947 56.100 -0.203 0.000 0.960 17 R CB -0.788 29.273 30.300 -0.397 0.000 0.856 17 R HN 0.738 nan 8.270 nan 0.000 0.436 18 D N 0.579 120.967 120.400 -0.019 0.000 2.144 18 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 18 D C 1.449 177.783 176.300 0.055 0.000 0.978 18 D CA 1.031 55.046 54.000 0.026 0.000 0.833 18 D CB -0.263 40.545 40.800 0.013 0.000 0.961 18 D HN 0.262 nan 8.370 nan 0.000 0.470 19 D N 0.599 121.030 120.400 0.051 0.000 2.097 19 D HA -0.082 4.557 4.640 -0.000 0.000 0.195 19 D C 2.451 178.809 176.300 0.096 0.000 0.989 19 D CA 0.361 54.401 54.000 0.066 0.000 0.827 19 D CB -0.205 40.630 40.800 0.058 0.000 0.966 19 D HN 0.228 nan 8.370 nan 0.000 0.456 20 L N 0.603 121.901 121.223 0.126 0.000 2.017 20 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 20 L C 2.076 179.065 176.870 0.199 0.000 1.073 20 L CA 1.153 56.105 54.840 0.186 0.000 0.745 20 L CB -0.466 41.767 42.059 0.291 0.000 0.894 20 L HN -0.015 nan 8.230 nan 0.000 0.432 21 N N -0.238 118.589 118.700 0.212 0.000 2.120 21 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 21 N C 1.608 177.198 175.510 0.134 0.000 1.024 21 N CA 0.826 53.991 53.050 0.191 0.000 0.852 21 N CB -0.211 38.389 38.487 0.187 0.000 1.003 21 N HN 0.096 nan 8.380 nan 0.000 0.424 22 L N 0.434 121.721 121.223 0.107 0.000 2.042 22 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 22 L C 1.782 178.701 176.870 0.082 0.000 1.076 22 L CA 1.462 56.352 54.840 0.084 0.000 0.749 22 L CB -0.636 41.466 42.059 0.071 0.000 0.893 22 L HN 0.009 nan 8.230 nan 0.000 0.432 23 V N -0.748 119.217 119.914 0.086 0.000 2.358 23 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 23 V C 2.449 178.585 176.094 0.070 0.000 1.047 23 V CA 1.525 63.866 62.300 0.068 0.000 1.035 23 V CB -0.488 31.376 31.823 0.068 0.000 0.658 23 V HN 0.364 nan 8.190 nan 0.000 0.452 24 L N 0.026 121.320 121.223 0.119 0.000 2.376 24 L HA 0.073 4.412 4.340 -0.000 0.000 0.219 24 L C 2.343 179.324 176.870 0.185 0.000 1.133 24 L CA 1.732 56.681 54.840 0.181 0.000 0.816 24 L CB -0.941 41.262 42.059 0.241 0.000 0.933 24 L HN 0.280 nan 8.230 nan 0.000 0.449 25 A N -1.878 121.018 122.820 0.128 0.000 1.975 25 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 25 A C 2.279 179.912 177.584 0.082 0.000 1.170 25 A CA 1.528 53.631 52.037 0.110 0.000 0.656 25 A CB -0.554 18.499 19.000 0.088 0.000 0.821 25 A HN 0.350 nan 8.150 nan 0.000 0.449 26 T N 0.315 114.905 114.554 0.060 0.000 2.857 26 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 26 T C 2.238 176.950 174.700 0.019 0.000 1.048 26 T CA 1.260 63.385 62.100 0.040 0.000 1.139 26 T CB -0.337 68.553 68.868 0.036 0.000 0.874 26 T HN 0.538 nan 8.240 nan 0.000 0.455 27 A N 1.542 124.342 122.820 -0.032 0.000 1.940 27 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 27 A C 2.604 180.143 177.584 -0.075 0.000 1.176 27 A CA 1.883 53.829 52.037 -0.152 0.000 0.631 27 A CB -1.027 17.645 19.000 -0.547 0.000 0.814 27 A HN 0.509 nan 8.150 nan 0.000 0.446 28 A N -0.450 122.420 122.820 0.084 0.000 1.898 28 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 28 A C 2.123 179.730 177.584 0.039 0.000 1.181 28 A CA 1.792 53.919 52.037 0.151 0.000 0.620 28 A CB -0.376 18.740 19.000 0.192 0.000 0.819 28 A HN 0.529 nan 8.150 nan 0.000 0.442 29 K N -0.339 120.084 120.400 0.037 0.000 2.001 29 K HA 0.003 4.322 4.320 -0.000 0.000 0.208 29 K C 1.824 178.434 176.600 0.016 0.000 1.048 29 K CA 1.400 57.701 56.287 0.022 0.000 0.932 29 K CB -0.403 32.115 32.500 0.030 0.000 0.715 29 K HN 0.430 nan 8.250 nan 0.000 0.437 30 L N 1.133 122.379 121.223 0.038 0.000 2.127 30 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 30 L C 2.524 179.440 176.870 0.076 0.000 1.089 30 L CA 1.270 56.160 54.840 0.083 0.000 0.757 30 L CB -0.317 41.824 42.059 0.136 0.000 0.899 30 L HN 0.190 nan 8.230 nan 0.000 0.434 31 K N -0.010 120.332 120.400 -0.097 0.000 2.103 31 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 31 K C 2.118 178.592 176.600 -0.211 0.000 1.052 31 K CA 1.086 57.088 56.287 -0.475 0.000 0.945 31 K CB 0.028 32.011 32.500 -0.861 0.000 0.722 31 K HN 0.259 nan 8.250 nan 0.000 0.443 32 A N 0.832 123.592 122.820 -0.100 0.000 1.855 32 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 32 A C 0.795 178.371 177.584 -0.014 0.000 1.195 32 A CA 1.127 53.134 52.037 -0.049 0.000 0.610 32 A CB -0.284 18.701 19.000 -0.026 0.000 0.837 32 A HN 0.410 nan 8.150 nan 0.000 0.444 33 N N 0.084 118.787 118.700 0.006 0.000 2.518 33 N HA 0.451 5.191 4.740 -0.000 0.000 0.254 33 N C -3.163 172.369 175.510 0.036 0.000 0.979 33 N CA -1.872 51.190 53.050 0.019 0.000 0.930 33 N CB 1.226 39.723 38.487 0.017 0.000 1.152 33 N HN -0.057 nan 8.380 nan 0.000 0.505 34 P HA -0.054 nan 4.420 nan 0.000 0.264 34 P C -0.994 176.334 177.300 0.047 0.000 1.179 34 P CA 0.417 63.556 63.100 0.064 0.000 0.763 34 P CB 0.441 32.181 31.700 0.067 0.000 0.806 35 Q N 3.703 123.532 119.800 0.048 0.000 3.122 35 Q HA 0.171 4.511 4.340 -0.000 0.000 0.282 35 Q C -1.931 174.085 176.000 0.028 0.000 0.947 35 Q CA -1.360 54.463 55.803 0.033 0.000 0.812 35 Q CB 1.331 30.088 28.738 0.031 0.000 1.333 35 Q HN 0.415 nan 8.270 nan 0.000 0.430 36 P HA 0.014 nan 4.420 nan 0.000 0.245 36 P C 0.232 177.539 177.300 0.012 0.000 1.212 36 P CA 0.648 63.763 63.100 0.025 0.000 0.774 36 P CB 0.585 32.301 31.700 0.028 0.000 0.999 37 E N -1.431 118.769 120.200 -0.000 0.000 2.759 37 E HA 0.113 4.463 4.350 -0.000 0.000 0.220 37 E C 1.256 177.836 176.600 -0.033 0.000 0.974 37 E CA -0.245 56.141 56.400 -0.024 0.000 1.148 37 E CB -0.003 29.679 29.700 -0.031 0.000 1.059 37 E HN -0.059 nan 8.360 nan 0.000 0.493 38 L N 0.483 121.700 121.223 -0.010 0.000 2.042 38 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 38 L C 1.193 178.057 176.870 -0.009 0.000 1.076 38 L CA 1.814 56.652 54.840 -0.005 0.000 0.749 38 L CB 0.122 42.188 42.059 0.013 0.000 0.893 38 L HN 0.196 nan 8.230 nan 0.000 0.432 39 L N -0.162 121.056 121.223 -0.009 0.000 2.848 39 L HA 0.143 4.483 4.340 -0.000 0.000 0.240 39 L C 0.609 177.461 176.870 -0.030 0.000 1.232 39 L CA -0.283 54.554 54.840 -0.004 0.000 1.031 39 L CB -0.432 41.633 42.059 0.011 0.000 1.338 39 L HN 0.102 nan 8.230 nan 0.000 0.509 40 K N 0.594 120.937 120.400 -0.096 0.000 2.527 40 K HA -0.086 4.234 4.320 -0.000 0.000 0.278 40 K C 0.401 176.882 176.600 -0.199 0.000 0.981 40 K CA 0.685 56.840 56.287 -0.220 0.000 1.009 40 K CB 0.148 32.409 32.500 -0.398 0.000 0.895 40 K HN 0.374 nan 8.250 nan 0.000 0.493 41 H N -0.622 118.467 119.070 0.032 0.000 3.898 41 H HA -0.164 4.392 4.556 -0.000 0.000 0.171 41 H C -0.318 175.030 175.328 0.034 0.000 0.920 41 H CA 0.914 56.981 56.048 0.032 0.000 1.238 41 H CB -0.518 29.262 29.762 0.030 0.000 0.997 41 H HN 0.431 nan 8.280 nan 0.000 0.380 42 K N 1.748 122.217 120.400 0.115 0.000 2.218 42 K HA 0.469 4.788 4.320 -0.000 0.000 0.276 42 K C 0.117 176.758 176.600 0.068 0.000 1.022 42 K CA -0.267 56.070 56.287 0.083 0.000 0.946 42 K CB 1.782 34.314 32.500 0.054 0.000 1.000 42 K HN -0.014 nan 8.250 nan 0.000 0.468 43 V N 4.435 124.389 119.914 0.066 0.000 2.555 43 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 43 V C 0.110 176.231 176.094 0.044 0.000 1.038 43 V CA -0.848 61.488 62.300 0.060 0.000 0.887 43 V CB 1.712 33.586 31.823 0.085 0.000 0.991 43 V HN 0.571 nan 8.190 nan 0.000 0.434 44 I N 2.875 123.456 120.570 0.019 0.000 2.646 44 I HA 0.743 4.912 4.170 -0.000 0.000 0.299 44 I C 0.174 176.289 176.117 -0.003 0.000 1.036 44 I CA -0.726 60.573 61.300 -0.001 0.000 1.074 44 I CB 2.119 40.104 38.000 -0.025 0.000 1.258 44 I HN 0.678 nan 8.210 nan 0.000 0.430 45 A N 3.294 126.104 122.820 -0.017 0.000 2.290 45 A HA 0.547 4.867 4.320 -0.000 0.000 0.310 45 A C -0.134 177.398 177.584 -0.086 0.000 1.202 45 A CA -0.308 51.714 52.037 -0.026 0.000 0.837 45 A CB 0.981 19.969 19.000 -0.020 0.000 1.139 45 A HN 0.585 nan 8.150 nan 0.000 0.509 46 S N 2.114 117.758 115.700 -0.094 0.000 2.457 46 S HA 0.321 4.791 4.470 -0.000 0.000 0.216 46 S C -0.553 173.899 174.600 -0.247 0.000 1.392 46 S CA -0.501 57.655 58.200 -0.074 0.000 1.102 46 S CB -0.860 62.348 63.200 0.012 0.000 1.114 46 S HN 0.710 nan 8.310 nan 0.000 0.484 47 C N 5.287 124.301 119.300 -0.477 0.000 2.289 47 C HA 0.448 4.908 4.460 -0.000 0.000 0.340 47 C C -0.227 174.186 174.990 -0.962 0.000 1.152 47 C CA -0.653 57.737 59.018 -1.047 0.000 1.650 47 C CB -2.097 25.226 27.740 -0.695 0.000 2.203 47 C HN 0.752 nan 8.230 nan 0.000 0.511 48 F N 3.214 122.594 119.950 -0.950 0.000 2.359 48 F HA 0.372 4.899 4.527 -0.000 0.000 0.369 48 F C 0.659 176.277 175.800 -0.303 0.000 1.084 48 F CA -1.036 56.718 58.000 -0.410 0.000 1.096 48 F CB 0.317 39.169 39.000 -0.246 0.000 1.335 48 F HN 0.550 nan 8.300 nan 0.000 0.457 49 F N 0.180 120.126 119.950 -0.007 0.000 2.502 49 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 49 F C 1.192 177.003 175.800 0.018 0.000 1.111 49 F CA 0.362 58.425 58.000 0.106 0.000 1.445 49 F CB -0.019 38.974 39.000 -0.012 0.000 1.081 49 F HN 0.304 nan 8.300 nan 0.000 0.558 50 E N 0.883 121.188 120.200 0.175 0.000 2.222 50 E HA 0.609 4.958 4.350 -0.000 0.000 0.267 50 E C -0.848 175.848 176.600 0.160 0.000 0.884 50 E CA -1.010 55.458 56.400 0.114 0.000 0.764 50 E CB 1.712 31.452 29.700 0.067 0.000 1.169 50 E HN 0.007 nan 8.360 nan 0.000 0.413 51 A N 2.915 125.815 122.820 0.133 0.000 2.407 51 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 51 A C -0.134 177.543 177.584 0.156 0.000 1.082 51 A CA -0.081 52.039 52.037 0.138 0.000 0.785 51 A CB 0.867 19.913 19.000 0.077 0.000 1.020 51 A HN 0.421 nan 8.150 nan 0.000 0.489 52 S N 1.127 116.926 115.700 0.165 0.000 2.423 52 S HA 0.311 4.781 4.470 -0.000 0.000 0.213 52 S C 0.804 175.397 174.600 -0.012 0.000 1.131 52 S CA -0.017 58.262 58.200 0.131 0.000 1.155 52 S CB 0.250 63.607 63.200 0.261 0.000 1.202 52 S HN 0.735 nan 8.310 nan 0.000 0.441 53 T N 4.616 119.151 114.554 -0.031 0.000 2.684 53 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 53 T C 2.164 176.826 174.700 -0.064 0.000 1.036 53 T CA 1.116 63.170 62.100 -0.077 0.000 1.148 53 T CB -0.104 68.743 68.868 -0.036 0.000 0.863 53 T HN 0.523 nan 8.240 nan 0.000 0.436 54 R N 0.926 121.426 120.500 0.000 0.000 2.082 54 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 54 R C 2.707 179.023 176.300 0.027 0.000 1.136 54 R CA 1.809 57.924 56.100 0.025 0.000 0.935 54 R CB -1.443 28.899 30.300 0.071 0.000 0.842 54 R HN 0.383 nan 8.270 nan 0.000 0.430 55 T N 0.994 115.599 114.554 0.086 0.000 2.777 55 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 55 T C 1.919 176.669 174.700 0.084 0.000 1.040 55 T CA 1.225 63.431 62.100 0.178 0.000 1.141 55 T CB -0.155 68.955 68.868 0.404 0.000 0.868 55 T HN 0.299 nan 8.240 nan 0.000 0.444 56 R N 0.573 120.896 120.500 -0.296 0.000 2.073 56 R HA 0.024 4.364 4.340 -0.000 0.000 0.234 56 R C 2.407 178.578 176.300 -0.215 0.000 1.134 56 R CA 1.128 56.845 56.100 -0.639 0.000 0.952 56 R CB -0.421 29.255 30.300 -1.040 0.000 0.850 56 R HN 0.343 nan 8.270 nan 0.000 0.433 57 L N 0.091 121.227 121.223 -0.146 0.000 2.083 57 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 57 L C 2.656 179.511 176.870 -0.025 0.000 1.083 57 L CA 1.546 56.344 54.840 -0.069 0.000 0.752 57 L CB -0.487 41.538 42.059 -0.058 0.000 0.899 57 L HN 0.340 nan 8.230 nan 0.000 0.433 58 S N -0.448 115.238 115.700 -0.025 0.000 2.387 58 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 58 S C 1.955 176.533 174.600 -0.037 0.000 1.026 58 S CA 0.777 58.946 58.200 -0.052 0.000 0.972 58 S CB -0.212 62.940 63.200 -0.080 0.000 0.814 58 S HN 0.262 nan 8.310 nan 0.000 0.477 59 F N 2.136 122.077 119.950 -0.015 0.000 2.084 59 F HA 0.084 4.611 4.527 -0.000 0.000 0.296 59 F C 2.497 178.283 175.800 -0.024 0.000 1.111 59 F CA 1.658 59.666 58.000 0.013 0.000 1.224 59 F CB -0.600 38.465 39.000 0.108 0.000 0.991 59 F HN 0.329 nan 8.300 nan 0.000 0.471 60 E N -1.231 119.067 120.200 0.163 0.000 2.150 60 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 60 E C 2.068 178.724 176.600 0.093 0.000 0.985 60 E CA 1.614 58.058 56.400 0.073 0.000 0.814 60 E CB -0.294 29.448 29.700 0.069 0.000 0.752 60 E HN 0.322 nan 8.360 nan 0.000 0.466 61 T N 0.607 115.217 114.554 0.094 0.000 2.737 61 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 61 T C 2.121 176.842 174.700 0.036 0.000 1.038 61 T CA 1.361 63.515 62.100 0.089 0.000 1.144 61 T CB -0.163 68.710 68.868 0.008 0.000 0.866 61 T HN 0.094 nan 8.240 nan 0.000 0.434 62 S N 1.616 117.305 115.700 -0.020 0.000 2.400 62 S HA -0.079 4.391 4.470 -0.000 0.000 0.232 62 S C 2.054 176.650 174.600 -0.006 0.000 1.025 62 S CA 1.189 59.360 58.200 -0.048 0.000 0.993 62 S CB -0.416 62.744 63.200 -0.066 0.000 0.808 62 S HN 0.431 nan 8.310 nan 0.000 0.478 63 M N 0.331 119.925 119.600 -0.010 0.000 2.156 63 M HA -0.040 4.439 4.480 -0.000 0.000 0.264 63 M C 2.148 178.368 176.300 -0.132 0.000 1.067 63 M CA 1.150 56.404 55.300 -0.076 0.000 1.131 63 M CB -0.425 32.084 32.600 -0.151 0.000 1.368 63 M HN 0.278 nan 8.290 nan 0.000 0.416 64 H N 0.449 119.530 119.070 0.019 0.000 2.389 64 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 64 H C 1.853 177.183 175.328 0.003 0.000 1.081 64 H CA 1.210 57.263 56.048 0.009 0.000 1.345 64 H CB -0.121 29.642 29.762 0.002 0.000 1.393 64 H HN 0.317 nan 8.280 nan 0.000 0.520 65 R N 0.526 121.079 120.500 0.089 0.000 2.339 65 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 65 R C 1.148 177.472 176.300 0.039 0.000 1.018 65 R CA 0.350 56.482 56.100 0.053 0.000 1.036 65 R CB 0.188 30.500 30.300 0.021 0.000 0.899 65 R HN 0.270 nan 8.270 nan 0.000 0.473 66 L N -1.030 120.211 121.223 0.029 0.000 2.858 66 L HA 0.281 4.621 4.340 -0.000 0.000 0.251 66 L C 0.908 177.787 176.870 0.015 0.000 1.149 66 L CA 0.102 54.955 54.840 0.022 0.000 0.955 66 L CB 0.965 43.035 42.059 0.019 0.000 1.289 66 L HN 0.314 nan 8.230 nan 0.000 0.542 67 G N 0.328 109.144 108.800 0.027 0.000 2.141 67 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.231 67 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.231 67 G C 0.277 175.185 174.900 0.013 0.000 0.984 67 G CA -0.014 45.100 45.100 0.024 0.000 0.660 67 G HN 0.435 nan 8.290 nan 0.000 0.525 68 A N -0.125 122.688 122.820 -0.011 0.000 2.286 68 A HA 0.856 5.176 4.320 -0.000 0.000 0.286 68 A C 0.716 178.275 177.584 -0.042 0.000 1.097 68 A CA 0.575 52.600 52.037 -0.021 0.000 0.821 68 A CB 0.895 19.875 19.000 -0.034 0.000 1.076 68 A HN 0.937 nan 8.150 nan 0.000 0.490 69 S N -0.695 115.007 115.700 0.003 0.000 2.586 69 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 69 S C -0.407 174.179 174.600 -0.022 0.000 1.281 69 S CA -0.429 57.789 58.200 0.030 0.000 1.035 69 S CB 1.160 64.400 63.200 0.067 0.000 0.962 69 S HN 0.569 nan 8.310 nan 0.000 0.512 70 V N 3.470 123.381 119.914 -0.004 0.000 2.487 70 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 70 V C -0.208 175.914 176.094 0.046 0.000 1.028 70 V CA -0.727 61.565 62.300 -0.012 0.000 0.860 70 V CB 1.409 33.191 31.823 -0.070 0.000 0.991 70 V HN 0.739 nan 8.190 nan 0.000 0.427 71 V N 1.496 121.440 119.914 0.051 0.000 2.919 71 V HA 1.155 5.275 4.120 -0.000 0.000 0.316 71 V C 0.272 176.403 176.094 0.062 0.000 1.077 71 V CA -0.112 62.233 62.300 0.075 0.000 0.977 71 V CB 1.364 33.254 31.823 0.112 0.000 1.039 71 V HN 1.352 nan 8.190 nan 0.000 0.441 72 G N 1.153 110.004 108.800 0.084 0.000 2.324 72 G HA2 0.581 4.540 3.960 -0.000 0.000 0.293 72 G HA3 0.581 4.540 3.960 -0.000 0.000 0.293 72 G C -1.666 173.284 174.900 0.083 0.000 1.297 72 G CA -0.150 44.968 45.100 0.030 0.000 0.853 72 G HN 1.949 nan 8.290 nan 0.000 0.535 73 F N -0.772 119.165 119.950 -0.023 0.000 2.631 73 F HA 0.874 5.401 4.527 -0.000 0.000 0.308 73 F C -0.135 175.657 175.800 -0.013 0.000 1.097 73 F CA -1.319 56.663 58.000 -0.031 0.000 0.952 73 F CB 1.662 40.626 39.000 -0.059 0.000 1.307 73 F HN 0.722 nan 8.300 nan 0.000 0.450 74 S N 0.977 116.722 115.700 0.075 0.000 2.501 74 S HA 0.687 5.157 4.470 -0.000 0.000 0.301 74 S C -1.237 173.486 174.600 0.205 0.000 1.096 74 S CA -0.485 57.758 58.200 0.073 0.000 1.063 74 S CB 2.332 65.540 63.200 0.012 0.000 1.042 74 S HN 0.818 nan 8.310 nan 0.000 0.494 75 D N 0.288 120.816 120.400 0.214 0.000 2.831 75 D HA 0.485 5.125 4.640 -0.000 0.000 0.240 75 D C -0.393 175.982 176.300 0.125 0.000 1.183 75 D CA -0.613 53.506 54.000 0.199 0.000 1.079 75 D CB 1.031 41.999 40.800 0.280 0.000 1.262 75 D HN 0.485 nan 8.370 nan 0.000 0.634 76 S N -1.306 114.454 115.700 0.100 0.000 3.550 76 S HA 0.057 4.527 4.470 -0.000 0.000 0.372 76 S C -0.360 174.270 174.600 0.051 0.000 0.966 76 S CA 0.976 59.213 58.200 0.061 0.000 1.229 76 S CB -1.486 61.746 63.200 0.054 0.000 0.917 76 S HN 0.900 nan 8.310 nan 0.000 0.496 77 A N 1.332 124.183 122.820 0.051 0.000 2.948 77 A HA 0.348 4.668 4.320 -0.000 0.000 0.220 77 A C 0.345 177.951 177.584 0.037 0.000 1.392 77 A CA 0.106 52.166 52.037 0.040 0.000 1.430 77 A CB -0.588 18.439 19.000 0.045 0.000 1.161 77 A HN 0.557 nan 8.150 nan 0.000 0.840 78 N N 1.791 120.508 118.700 0.029 0.000 2.799 78 N HA -0.178 4.562 4.740 -0.000 0.000 0.272 78 N C 0.429 175.940 175.510 0.001 0.000 0.992 78 N CA 0.957 54.017 53.050 0.016 0.000 0.878 78 N CB -0.019 38.472 38.487 0.007 0.000 0.934 78 N HN 0.729 nan 8.380 nan 0.000 0.591 79 T N -1.405 113.152 114.554 0.006 0.000 2.825 79 T HA 0.058 4.408 4.350 -0.000 0.000 0.270 79 T C 1.189 175.827 174.700 -0.103 0.000 0.919 79 T CA -0.275 61.805 62.100 -0.033 0.000 1.159 79 T CB 0.858 69.730 68.868 0.006 0.000 0.889 79 T HN 0.147 nan 8.240 nan 0.000 0.565 80 S N 1.573 117.227 115.700 -0.077 0.000 2.523 80 S HA -0.225 4.245 4.470 -0.000 0.000 0.320 80 S C 0.920 175.463 174.600 -0.095 0.000 1.112 80 S CA 1.417 59.570 58.200 -0.077 0.000 1.119 80 S CB -1.313 61.848 63.200 -0.065 0.000 0.607 80 S HN 0.891 nan 8.310 nan 0.000 0.510 81 L N -3.050 118.083 121.223 -0.149 0.000 2.357 81 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 81 L C 1.169 178.021 176.870 -0.029 0.000 1.080 81 L CA -0.157 54.620 54.840 -0.106 0.000 0.803 81 L CB 0.977 42.930 42.059 -0.176 0.000 1.174 81 L HN 0.184 nan 8.230 nan 0.000 0.443 82 G N 1.104 109.897 108.800 -0.012 0.000 2.218 82 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.216 82 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.216 82 G C 0.182 175.071 174.900 -0.019 0.000 0.994 82 G CA -0.267 44.829 45.100 -0.007 0.000 0.637 82 G HN 0.591 nan 8.290 nan 0.000 0.505 83 K N 0.632 121.018 120.400 -0.024 0.000 2.126 83 K HA 0.738 5.058 4.320 -0.000 0.000 0.257 83 K C 1.096 177.682 176.600 -0.024 0.000 1.007 83 K CA -0.098 56.175 56.287 -0.024 0.000 0.928 83 K CB 0.841 33.325 32.500 -0.027 0.000 1.013 83 K HN 0.252 nan 8.250 nan 0.000 0.473 84 K N -0.277 120.110 120.400 -0.021 0.000 11.134 84 K HA -0.258 4.062 4.320 -0.000 0.000 0.527 84 K C 0.688 177.274 176.600 -0.022 0.000 0.391 84 K CA 2.362 58.637 56.287 -0.020 0.000 1.928 84 K CB -1.643 30.845 32.500 -0.020 0.000 0.781 84 K HN 0.883 nan 8.250 nan 0.000 1.243 85 G N 0.489 109.273 108.800 -0.027 0.000 4.990 85 G HA2 0.103 4.063 3.960 -0.000 0.000 0.221 85 G HA3 0.103 4.063 3.960 -0.000 0.000 0.221 85 G C -1.257 173.619 174.900 -0.040 0.000 0.986 85 G CA -0.001 45.080 45.100 -0.031 0.000 1.002 85 G HN 0.188 nan 8.290 nan 0.000 0.531 86 E N 2.657 122.834 120.200 -0.039 0.000 2.383 86 E HA 0.294 4.644 4.350 -0.000 0.000 0.257 86 E C 1.279 177.840 176.600 -0.065 0.000 1.079 86 E CA 0.197 56.569 56.400 -0.047 0.000 0.934 86 E CB 0.462 30.141 29.700 -0.035 0.000 0.978 86 E HN 0.411 nan 8.360 nan 0.000 0.462 87 T N 1.580 116.079 114.554 -0.092 0.000 2.906 87 T HA -0.077 4.273 4.350 -0.000 0.000 0.320 87 T C 1.189 175.793 174.700 -0.160 0.000 1.088 87 T CA -0.625 61.397 62.100 -0.131 0.000 1.120 87 T CB 0.769 69.538 68.868 -0.166 0.000 1.000 87 T HN 0.498 nan 8.240 nan 0.000 0.550 88 L N 2.330 123.440 121.223 -0.188 0.000 2.083 88 L HA 0.070 4.410 4.340 -0.000 0.000 0.209 88 L C 2.731 179.425 176.870 -0.293 0.000 1.083 88 L CA 2.213 56.923 54.840 -0.216 0.000 0.752 88 L CB -1.359 40.525 42.059 -0.292 0.000 0.899 88 L HN 0.958 nan 8.230 nan 0.000 0.433 89 A N -0.610 121.914 122.820 -0.494 0.000 1.883 89 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 89 A C 1.987 179.195 177.584 -0.626 0.000 1.186 89 A CA 2.101 53.520 52.037 -1.031 0.000 0.624 89 A CB -0.895 17.162 19.000 -1.571 0.000 0.822 89 A HN 0.526 nan 8.150 nan 0.000 0.444 90 D N -0.738 119.447 120.400 -0.358 0.000 2.178 90 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 90 D C 2.017 178.265 176.300 -0.087 0.000 0.980 90 D CA 1.681 55.578 54.000 -0.171 0.000 0.842 90 D CB -0.622 40.108 40.800 -0.117 0.000 0.948 90 D HN 0.443 nan 8.370 nan 0.000 0.472 91 T N 0.969 115.481 114.554 -0.069 0.000 2.701 91 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 91 T C 1.844 176.556 174.700 0.020 0.000 1.040 91 T CA 0.458 62.563 62.100 0.008 0.000 1.147 91 T CB -0.019 68.897 68.868 0.081 0.000 0.865 91 T HN 0.039 nan 8.240 nan 0.000 0.426 92 I N 1.702 122.280 120.570 0.013 0.000 2.394 92 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 92 I C 2.504 178.641 176.117 0.033 0.000 1.136 92 I CA 0.794 62.118 61.300 0.040 0.000 1.425 92 I CB -1.264 36.775 38.000 0.063 0.000 1.079 92 I HN 0.134 nan 8.210 nan 0.000 0.425 93 S N -0.081 115.642 115.700 0.039 0.000 2.423 93 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 93 S C 2.161 176.765 174.600 0.007 0.000 1.014 93 S CA 0.829 59.071 58.200 0.069 0.000 0.965 93 S CB -0.060 63.197 63.200 0.096 0.000 0.785 93 S HN 0.272 nan 8.310 nan 0.000 0.495 94 V N 1.508 121.412 119.914 -0.017 0.000 2.500 94 V HA 0.049 4.169 4.120 -0.000 0.000 0.243 94 V C 1.994 177.967 176.094 -0.202 0.000 1.039 94 V CA 0.891 63.172 62.300 -0.033 0.000 1.053 94 V CB -0.466 31.372 31.823 0.024 0.000 0.695 94 V HN 0.407 nan 8.190 nan 0.000 0.463 95 I N 0.647 121.079 120.570 -0.230 0.000 2.264 95 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 95 I C 2.625 178.431 176.117 -0.519 0.000 1.111 95 I CA 1.919 62.941 61.300 -0.464 0.000 1.382 95 I CB -0.358 37.558 38.000 -0.141 0.000 1.060 95 I HN 0.371 nan 8.210 nan 0.000 0.418 96 S N -0.449 115.111 115.700 -0.234 0.000 2.493 96 S HA -0.179 4.290 4.470 -0.000 0.000 0.243 96 S C 1.822 176.339 174.600 -0.140 0.000 0.991 96 S CA 1.743 59.860 58.200 -0.138 0.000 0.957 96 S CB -0.426 62.751 63.200 -0.039 0.000 0.756 96 S HN 0.402 nan 8.310 nan 0.000 0.521 97 T N 0.836 115.265 114.554 -0.208 0.000 3.148 97 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 97 T C 0.194 174.961 174.700 0.113 0.000 1.134 97 T CA 0.662 62.742 62.100 -0.034 0.000 1.051 97 T CB -0.185 68.691 68.868 0.013 0.000 0.959 97 T HN 0.857 nan 8.240 nan 0.000 0.525 98 Y N -1.555 118.767 120.300 0.036 0.000 2.861 98 Y HA 0.490 5.040 4.550 -0.000 0.000 0.284 98 Y C -0.260 175.660 175.900 0.032 0.000 1.006 98 Y CA -1.469 56.650 58.100 0.032 0.000 1.245 98 Y CB -0.474 38.004 38.460 0.030 0.000 1.415 98 Y HN -0.011 nan 8.280 nan 0.000 0.586 99 V N -2.155 117.826 119.914 0.111 0.000 2.919 99 V HA 0.576 4.696 4.120 -0.000 0.000 0.316 99 V C -0.001 176.120 176.094 0.046 0.000 1.077 99 V CA -0.523 61.833 62.300 0.094 0.000 0.977 99 V CB 2.342 34.189 31.823 0.040 0.000 1.039 99 V HN 0.070 nan 8.190 nan 0.000 0.441 100 D N 1.284 121.710 120.400 0.043 0.000 2.367 100 D HA 0.482 5.121 4.640 -0.000 0.000 0.207 100 D C 0.581 176.885 176.300 0.006 0.000 1.034 100 D CA 1.405 55.423 54.000 0.029 0.000 0.861 100 D CB 1.264 42.089 40.800 0.042 0.000 0.943 100 D HN 0.993 nan 8.370 nan 0.000 0.515 101 A N 0.250 123.068 122.820 -0.003 0.000 2.605 101 A HA 0.597 4.917 4.320 -0.000 0.000 0.294 101 A C -1.537 176.028 177.584 -0.032 0.000 1.062 101 A CA -0.619 51.408 52.037 -0.018 0.000 0.682 101 A CB 1.076 20.063 19.000 -0.021 0.000 1.278 101 A HN 0.006 nan 8.150 nan 0.000 0.410 102 I N 1.658 122.205 120.570 -0.039 0.000 2.362 102 I HA 0.440 4.609 4.170 -0.000 0.000 0.289 102 I C -0.679 175.363 176.117 -0.125 0.000 0.994 102 I CA -0.894 60.368 61.300 -0.064 0.000 1.158 102 I CB 1.850 39.835 38.000 -0.026 0.000 1.315 102 I HN 0.361 nan 8.210 nan 0.000 0.451 103 V N 7.784 127.569 119.914 -0.215 0.000 2.427 103 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 103 V C 0.013 175.875 176.094 -0.388 0.000 1.034 103 V CA -0.439 61.634 62.300 -0.379 0.000 0.893 103 V CB 1.584 33.042 31.823 -0.608 0.000 0.982 103 V HN 0.749 nan 8.190 nan 0.000 0.452 104 M N 4.521 123.891 119.600 -0.383 0.000 2.433 104 M HA 0.721 5.201 4.480 -0.000 0.000 0.290 104 M C -1.098 174.948 176.300 -0.423 0.000 1.173 104 M CA -0.797 54.270 55.300 -0.388 0.000 0.905 104 M CB 2.516 35.090 32.600 -0.044 0.000 1.692 104 M HN 0.497 nan 8.290 nan 0.000 0.462 105 R N 1.521 121.697 120.500 -0.540 0.000 2.637 105 R HA 0.618 4.958 4.340 -0.000 0.000 0.291 105 R C -1.755 174.597 176.300 0.086 0.000 0.963 105 R CA -0.394 55.529 56.100 -0.295 0.000 0.901 105 R CB 1.448 31.471 30.300 -0.462 0.000 1.160 105 R HN 0.935 nan 8.270 nan 0.000 0.457 106 H N 4.308 123.379 119.070 0.002 0.000 2.996 106 H HA 0.258 4.813 4.556 -0.000 0.000 0.368 106 H C -2.295 173.023 175.328 -0.017 0.000 1.185 106 H CA -1.827 54.239 56.048 0.028 0.000 1.160 106 H CB 2.901 32.588 29.762 -0.126 0.000 1.820 106 H HN 0.443 nan 8.280 nan 0.000 0.547 107 P HA -0.017 nan 4.420 nan 0.000 0.229 107 P C -0.130 177.235 177.300 0.108 0.000 1.160 107 P CA 0.660 63.764 63.100 0.007 0.000 0.777 107 P CB 1.083 32.740 31.700 -0.072 0.000 0.814 108 Q N 0.370 120.336 119.800 0.278 0.000 2.214 108 Q HA 0.253 4.593 4.340 -0.000 0.000 0.251 108 Q C -0.397 175.631 176.000 0.046 0.000 0.936 108 Q CA -0.649 55.225 55.803 0.119 0.000 0.894 108 Q CB 0.917 29.715 28.738 0.100 0.000 1.252 108 Q HN -0.001 nan 8.270 nan 0.000 0.448 109 E N -0.035 120.170 120.200 0.008 0.000 2.313 109 E HA 0.383 4.733 4.350 -0.000 0.000 0.276 109 E C 0.595 177.168 176.600 -0.045 0.000 1.031 109 E CA 0.785 57.180 56.400 -0.009 0.000 0.857 109 E CB 0.883 30.581 29.700 -0.002 0.000 1.040 109 E HN 0.823 nan 8.360 nan 0.000 0.408 110 G N 1.591 110.358 108.800 -0.056 0.000 2.195 110 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.224 110 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.224 110 G C 1.125 175.950 174.900 -0.124 0.000 0.990 110 G CA 0.373 45.428 45.100 -0.075 0.000 0.639 110 G HN 0.644 nan 8.290 nan 0.000 0.514 111 A N 0.505 123.207 122.820 -0.196 0.000 1.969 111 A HA 0.471 4.791 4.320 -0.000 0.000 0.218 111 A C 2.731 180.185 177.584 -0.217 0.000 1.169 111 A CA 2.537 54.372 52.037 -0.336 0.000 0.635 111 A CB -0.657 17.909 19.000 -0.724 0.000 0.810 111 A HN 1.735 nan 8.150 nan 0.000 0.445 112 A N -0.141 122.603 122.820 -0.127 0.000 1.929 112 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 112 A C 2.183 179.715 177.584 -0.086 0.000 1.176 112 A CA 1.588 53.576 52.037 -0.082 0.000 0.628 112 A CB -0.408 18.567 19.000 -0.043 0.000 0.816 112 A HN 0.553 nan 8.150 nan 0.000 0.444 113 R N -0.250 120.201 120.500 -0.081 0.000 2.075 113 R HA -0.025 4.314 4.340 -0.000 0.000 0.232 113 R C 2.042 178.288 176.300 -0.091 0.000 1.126 113 R CA 1.516 57.564 56.100 -0.086 0.000 0.963 113 R CB -0.475 29.788 30.300 -0.061 0.000 0.858 113 R HN 0.501 nan 8.270 nan 0.000 0.435 114 L N 0.233 121.414 121.223 -0.070 0.000 2.083 114 L HA -0.087 4.252 4.340 -0.000 0.000 0.209 114 L C 2.305 179.207 176.870 0.053 0.000 1.083 114 L CA 1.683 56.520 54.840 -0.006 0.000 0.752 114 L CB -0.435 41.606 42.059 -0.031 0.000 0.899 114 L HN 0.361 nan 8.230 nan 0.000 0.433 115 A N -0.942 121.868 122.820 -0.017 0.000 1.940 115 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 115 A C 2.221 179.792 177.584 -0.023 0.000 1.176 115 A CA 2.303 54.353 52.037 0.022 0.000 0.631 115 A CB -1.138 17.850 19.000 -0.019 0.000 0.814 115 A HN 0.497 nan 8.150 nan 0.000 0.446 116 T N -0.114 114.332 114.554 -0.179 0.000 2.849 116 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 116 T C 1.556 176.066 174.700 -0.316 0.000 1.066 116 T CA 1.716 63.558 62.100 -0.430 0.000 1.130 116 T CB -0.247 68.295 68.868 -0.543 0.000 0.864 116 T HN 0.695 nan 8.240 nan 0.000 0.481 117 E N -0.697 119.353 120.200 -0.250 0.000 2.358 117 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 117 E C 0.846 176.962 176.600 -0.806 0.000 1.010 117 E CA 0.589 56.710 56.400 -0.465 0.000 0.856 117 E CB 0.102 29.523 29.700 -0.465 0.000 0.795 117 E HN 0.525 nan 8.360 nan 0.000 0.504 118 F N -0.925 118.974 119.950 -0.085 0.000 2.728 118 F HA 0.073 4.600 4.527 -0.000 0.000 0.314 118 F C 2.011 177.783 175.800 -0.046 0.000 1.094 118 F CA 0.025 57.990 58.000 -0.058 0.000 1.217 118 F CB 0.681 39.647 39.000 -0.058 0.000 1.056 118 F HN -0.083 nan 8.300 nan 0.000 0.577 119 S N -0.918 114.793 115.700 0.019 0.000 2.593 119 S HA 0.400 4.870 4.470 -0.000 0.000 0.217 119 S C 1.725 176.339 174.600 0.024 0.000 0.966 119 S CA 0.383 58.605 58.200 0.036 0.000 0.914 119 S CB -0.607 62.622 63.200 0.048 0.000 0.776 119 S HN 0.526 nan 8.310 nan 0.000 0.523 120 G N 3.093 111.890 108.800 -0.004 0.000 2.620 120 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.315 120 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.315 120 G C 0.390 175.304 174.900 0.023 0.000 1.179 120 G CA 0.537 45.637 45.100 -0.001 0.000 0.971 120 G HN 0.526 nan 8.290 nan 0.000 0.544 121 N N 0.471 119.179 118.700 0.013 0.000 2.275 121 N HA 0.386 5.126 4.740 -0.000 0.000 0.236 121 N C -0.207 175.290 175.510 -0.022 0.000 1.154 121 N CA 0.318 53.362 53.050 -0.011 0.000 0.866 121 N CB 1.031 39.504 38.487 -0.023 0.000 1.093 121 N HN 0.397 nan 8.380 nan 0.000 0.515 122 V N 2.695 122.620 119.914 0.018 0.000 2.383 122 V HA 0.334 4.454 4.120 -0.000 0.000 0.275 122 V C -2.074 174.043 176.094 0.038 0.000 1.036 122 V CA -1.856 60.446 62.300 0.004 0.000 0.889 122 V CB 1.529 33.357 31.823 0.009 0.000 0.985 122 V HN -0.028 nan 8.190 nan 0.000 0.459 123 P HA 0.065 nan 4.420 nan 0.000 0.266 123 P C -0.661 176.690 177.300 0.086 0.000 1.195 123 P CA 0.171 63.220 63.100 -0.085 0.000 0.768 123 P CB 0.487 32.094 31.700 -0.154 0.000 0.838 124 V N 4.951 125.034 119.914 0.282 0.000 2.384 124 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 124 V C 0.072 176.227 176.094 0.101 0.000 1.020 124 V CA -0.448 61.942 62.300 0.151 0.000 0.850 124 V CB 1.066 32.952 31.823 0.106 0.000 0.987 124 V HN 0.325 nan 8.190 nan 0.000 0.436 125 L N 4.093 125.323 121.223 0.012 0.000 2.322 125 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 125 L C -0.238 176.624 176.870 -0.013 0.000 1.014 125 L CA -0.578 54.277 54.840 0.025 0.000 0.815 125 L CB 1.871 43.943 42.059 0.021 0.000 1.247 125 L HN 0.570 nan 8.230 nan 0.000 0.421 126 N N 1.977 120.709 118.700 0.053 0.000 2.434 126 N HA 0.386 5.126 4.740 -0.000 0.000 0.272 126 N C 0.134 175.715 175.510 0.119 0.000 1.040 126 N CA -0.159 52.914 53.050 0.038 0.000 0.956 126 N CB 1.964 40.485 38.487 0.057 0.000 1.108 126 N HN 0.730 nan 8.380 nan 0.000 0.481 127 A N 2.084 124.925 122.820 0.035 0.000 2.430 127 A HA 0.562 4.882 4.320 -0.000 0.000 0.243 127 A C 0.525 178.099 177.584 -0.015 0.000 1.254 127 A CA 0.304 52.458 52.037 0.195 0.000 0.914 127 A CB -0.550 18.499 19.000 0.080 0.000 0.998 127 A HN 0.896 nan 8.150 nan 0.000 0.515 128 G N 0.856 109.596 108.800 -0.101 0.000 2.220 128 G HA2 0.394 4.354 3.960 -0.000 0.000 0.232 128 G HA3 0.394 4.354 3.960 -0.000 0.000 0.232 128 G C -1.972 172.881 174.900 -0.079 0.000 1.680 128 G CA -0.226 44.741 45.100 -0.221 0.000 0.922 128 G HN 0.377 nan 8.290 nan 0.000 0.723 129 D N 1.601 121.981 120.400 -0.035 0.000 2.420 129 D HA 0.593 5.233 4.640 -0.000 0.000 0.255 129 D C 1.132 177.441 176.300 0.015 0.000 1.185 129 D CA 0.419 54.421 54.000 0.003 0.000 0.904 129 D CB 0.739 41.535 40.800 -0.005 0.000 1.102 129 D HN 1.784 nan 8.370 nan 0.000 0.534 130 G N 2.762 111.577 108.800 0.025 0.000 2.594 130 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.297 130 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.297 130 G C 0.763 175.682 174.900 0.032 0.000 1.273 130 G CA 0.614 45.730 45.100 0.028 0.000 0.974 130 G HN 1.122 nan 8.290 nan 0.000 0.552 131 S N 0.810 116.537 115.700 0.046 0.000 2.803 131 S HA 0.165 4.635 4.470 -0.000 0.000 0.228 131 S C 1.223 175.882 174.600 0.097 0.000 0.953 131 S CA 1.042 59.289 58.200 0.079 0.000 0.983 131 S CB 0.193 63.455 63.200 0.102 0.000 0.784 131 S HN 0.846 nan 8.310 nan 0.000 0.498 132 N N 1.441 120.184 118.700 0.071 0.000 2.429 132 N HA 0.106 4.845 4.740 -0.000 0.000 0.220 132 N C 0.220 175.792 175.510 0.102 0.000 1.024 132 N CA 0.777 53.874 53.050 0.078 0.000 1.105 132 N CB 0.123 38.634 38.487 0.041 0.000 1.376 132 N HN 0.251 nan 8.380 nan 0.000 0.565 133 Q N -0.978 118.875 119.800 0.089 0.000 2.445 133 Q HA 0.261 4.601 4.340 -0.000 0.000 0.281 133 Q C -1.124 174.971 176.000 0.158 0.000 1.101 133 Q CA -0.457 55.421 55.803 0.125 0.000 0.833 133 Q CB 1.727 30.529 28.738 0.107 0.000 1.416 133 Q HN 0.554 nan 8.270 nan 0.000 0.451 134 H N 0.343 119.470 119.070 0.095 0.000 2.927 134 H HA 0.266 4.821 4.556 -0.000 0.000 0.213 134 H C -2.279 173.120 175.328 0.119 0.000 1.363 134 H CA -1.806 54.309 56.048 0.112 0.000 1.369 134 H CB 0.437 30.267 29.762 0.114 0.000 2.040 134 H HN 0.242 nan 8.280 nan 0.000 0.544 135 P HA -0.109 nan 4.420 nan 0.000 0.218 135 P C 1.579 178.938 177.300 0.098 0.000 1.148 135 P CA 1.316 64.505 63.100 0.148 0.000 0.822 135 P CB 0.407 32.194 31.700 0.146 0.000 0.784 136 T N -1.437 113.185 114.554 0.112 0.000 2.985 136 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 136 T C 1.839 176.468 174.700 -0.118 0.000 1.076 136 T CA 0.944 63.058 62.100 0.022 0.000 1.135 136 T CB -0.352 68.606 68.868 0.149 0.000 0.890 136 T HN 0.021 nan 8.240 nan 0.000 0.480 137 Q N 0.613 120.230 119.800 -0.306 0.000 2.083 137 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 137 Q C 2.196 178.164 176.000 -0.055 0.000 0.969 137 Q CA 1.830 57.464 55.803 -0.281 0.000 0.838 137 Q CB -0.615 27.813 28.738 -0.516 0.000 0.900 137 Q HN 0.384 nan 8.270 nan 0.000 0.436 138 T N 1.022 115.570 114.554 -0.010 0.000 2.788 138 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 138 T C 1.643 176.388 174.700 0.075 0.000 1.044 138 T CA 1.228 63.358 62.100 0.049 0.000 1.139 138 T CB -0.177 68.729 68.868 0.062 0.000 0.867 138 T HN 0.216 nan 8.240 nan 0.000 0.454 139 L N 0.824 122.087 121.223 0.065 0.000 2.027 139 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 139 L C 2.522 179.459 176.870 0.111 0.000 1.074 139 L CA 1.188 56.079 54.840 0.085 0.000 0.745 139 L CB -0.759 41.333 42.059 0.055 0.000 0.898 139 L HN 0.335 nan 8.230 nan 0.000 0.433 140 L N -2.657 118.613 121.223 0.078 0.000 2.141 140 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 140 L C 1.886 178.893 176.870 0.229 0.000 1.094 140 L CA 1.563 56.491 54.840 0.146 0.000 0.763 140 L CB -0.774 41.327 42.059 0.070 0.000 0.908 140 L HN 0.056 nan 8.230 nan 0.000 0.437 141 D N 0.885 121.398 120.400 0.188 0.000 2.077 141 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 141 D C 2.392 178.805 176.300 0.188 0.000 0.986 141 D CA 1.810 55.946 54.000 0.227 0.000 0.829 141 D CB -0.362 40.583 40.800 0.241 0.000 0.983 141 D HN 0.393 nan 8.370 nan 0.000 0.453 142 L N 0.032 121.342 121.223 0.145 0.000 2.043 142 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 142 L C 2.435 179.387 176.870 0.137 0.000 1.075 142 L CA 0.905 55.804 54.840 0.098 0.000 0.752 142 L CB -0.424 41.688 42.059 0.088 0.000 0.891 142 L HN -0.013 nan 8.230 nan 0.000 0.432 143 F N 0.708 120.692 119.950 0.057 0.000 2.171 143 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 143 F C 2.424 178.275 175.800 0.085 0.000 1.090 143 F CA 1.945 59.985 58.000 0.068 0.000 1.293 143 F CB -0.474 38.583 39.000 0.095 0.000 1.013 143 F HN -0.060 nan 8.300 nan 0.000 0.486 144 T N 1.113 115.732 114.554 0.108 0.000 2.951 144 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 144 T C 2.140 176.830 174.700 -0.017 0.000 1.073 144 T CA 1.496 63.627 62.100 0.053 0.000 1.134 144 T CB -0.259 68.750 68.868 0.235 0.000 0.884 144 T HN 0.269 nan 8.240 nan 0.000 0.479 145 I N 0.827 121.393 120.570 -0.007 0.000 2.233 145 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 145 I C 2.814 178.856 176.117 -0.125 0.000 1.093 145 I CA 1.115 62.385 61.300 -0.052 0.000 1.380 145 I CB -0.420 37.561 38.000 -0.032 0.000 1.067 145 I HN 0.240 nan 8.210 nan 0.000 0.413 146 Q N 1.366 121.078 119.800 -0.147 0.000 2.030 146 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 146 Q C 2.208 178.080 176.000 -0.213 0.000 0.986 146 Q CA 2.173 57.874 55.803 -0.169 0.000 0.843 146 Q CB -0.131 28.525 28.738 -0.138 0.000 0.904 146 Q HN 0.465 nan 8.270 nan 0.000 0.420 147 E N -0.719 119.276 120.200 -0.343 0.000 2.085 147 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 147 E C 1.770 178.244 176.600 -0.210 0.000 0.994 147 E CA 1.870 58.070 56.400 -0.334 0.000 0.801 147 E CB -0.012 29.348 29.700 -0.566 0.000 0.743 147 E HN 0.602 nan 8.360 nan 0.000 0.453 148 T N -2.149 112.281 114.554 -0.207 0.000 3.035 148 T HA 0.027 4.376 4.350 -0.000 0.000 0.259 148 T C 1.635 176.207 174.700 -0.215 0.000 1.078 148 T CA 0.210 62.157 62.100 -0.255 0.000 1.132 148 T CB 0.243 68.871 68.868 -0.399 0.000 0.900 148 T HN -0.001 nan 8.240 nan 0.000 0.480 149 Q N 0.498 120.195 119.800 -0.172 0.000 2.319 149 Q HA 0.354 4.694 4.340 -0.000 0.000 0.209 149 Q C 1.925 177.852 176.000 -0.121 0.000 0.884 149 Q CA 0.714 56.432 55.803 -0.142 0.000 0.938 149 Q CB 0.273 28.936 28.738 -0.125 0.000 1.098 149 Q HN 0.736 nan 8.270 nan 0.000 0.517 150 G N 2.248 110.976 108.800 -0.120 0.000 2.245 150 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.264 150 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.264 150 G C 0.355 175.205 174.900 -0.084 0.000 0.985 150 G CA 0.821 45.864 45.100 -0.095 0.000 0.625 150 G HN 0.444 nan 8.290 nan 0.000 0.536 151 R N -2.194 118.246 120.500 -0.100 0.000 2.766 151 R HA 0.762 5.102 4.340 -0.000 0.000 0.270 151 R C -0.552 175.655 176.300 -0.155 0.000 1.035 151 R CA -1.050 54.990 56.100 -0.100 0.000 0.911 151 R CB 0.368 30.625 30.300 -0.071 0.000 1.243 151 R HN 0.276 nan 8.270 nan 0.000 0.460 152 L N 0.787 121.880 121.223 -0.216 0.000 3.069 152 L HA 0.334 4.674 4.340 -0.000 0.000 0.271 152 L C -1.320 175.395 176.870 -0.257 0.000 1.201 152 L CA 0.242 54.841 54.840 -0.401 0.000 1.015 152 L CB -0.124 41.403 42.059 -0.885 0.000 1.371 152 L HN 0.806 nan 8.230 nan 0.000 0.574 153 D N -3.503 116.851 120.400 -0.077 0.000 2.552 153 D HA 0.399 5.039 4.640 -0.000 0.000 0.239 153 D C -0.123 176.171 176.300 -0.010 0.000 1.139 153 D CA -0.760 53.258 54.000 0.030 0.000 0.914 153 D CB 0.362 41.236 40.800 0.123 0.000 1.461 153 D HN -0.075 nan 8.370 nan 0.000 0.462 154 N N -1.344 117.357 118.700 0.001 0.000 2.747 154 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 154 N C -1.034 174.446 175.510 -0.050 0.000 1.107 154 N CA 0.388 53.427 53.050 -0.018 0.000 0.707 154 N CB -1.246 37.225 38.487 -0.025 0.000 1.054 154 N HN 0.417 nan 8.380 nan 0.000 0.555 155 L N 0.261 121.447 121.223 -0.061 0.000 2.343 155 L HA 0.365 4.705 4.340 -0.000 0.000 0.275 155 L C 0.575 177.438 176.870 -0.012 0.000 1.056 155 L CA -0.627 54.169 54.840 -0.073 0.000 0.804 155 L CB 0.957 42.954 42.059 -0.104 0.000 1.203 155 L HN 0.262 nan 8.230 nan 0.000 0.440 156 H N 1.991 120.979 119.070 -0.136 0.000 2.661 156 H HA 0.361 4.917 4.556 -0.000 0.000 0.290 156 H C -0.997 174.296 175.328 -0.058 0.000 1.082 156 H CA -0.731 55.258 56.048 -0.099 0.000 1.234 156 H CB 1.460 31.261 29.762 0.065 0.000 1.387 156 H HN 0.197 nan 8.280 nan 0.000 0.476 157 V N 2.990 122.848 119.914 -0.094 0.000 2.384 157 V HA 0.430 4.550 4.120 -0.000 0.000 0.287 157 V C 0.121 176.293 176.094 0.131 0.000 1.020 157 V CA -0.721 61.577 62.300 -0.003 0.000 0.850 157 V CB 1.322 33.095 31.823 -0.083 0.000 0.987 157 V HN 0.807 nan 8.190 nan 0.000 0.436 158 A N 7.270 130.222 122.820 0.220 0.000 2.305 158 A HA 0.897 5.216 4.320 -0.000 0.000 0.322 158 A C -0.328 177.427 177.584 0.285 0.000 1.187 158 A CA -0.565 51.631 52.037 0.265 0.000 0.825 158 A CB 0.759 19.869 19.000 0.183 0.000 1.164 158 A HN 0.764 nan 8.150 nan 0.000 0.498 159 M N 3.213 123.019 119.600 0.343 0.000 2.190 159 M HA 0.441 4.921 4.480 -0.000 0.000 0.312 159 M C -1.274 175.227 176.300 0.335 0.000 0.990 159 M CA -0.549 54.972 55.300 0.370 0.000 0.927 159 M CB 1.497 34.356 32.600 0.432 0.000 1.571 159 M HN 0.291 nan 8.290 nan 0.000 0.427 160 V N 2.281 122.356 119.914 0.268 0.000 2.540 160 V HA 0.951 5.071 4.120 -0.000 0.000 0.302 160 V C 0.452 176.650 176.094 0.172 0.000 1.035 160 V CA 0.144 62.589 62.300 0.242 0.000 0.873 160 V CB 1.471 33.429 31.823 0.225 0.000 0.992 160 V HN 1.175 nan 8.190 nan 0.000 0.428 161 G N 4.502 113.369 108.800 0.112 0.000 2.204 161 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.153 161 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.153 161 G C -1.140 173.723 174.900 -0.062 0.000 1.295 161 G CA -0.040 45.077 45.100 0.028 0.000 1.257 161 G HN 0.741 nan 8.290 nan 0.000 0.495 162 D N 1.347 121.735 120.400 -0.020 0.000 2.359 162 D HA 0.574 5.214 4.640 -0.000 0.000 0.230 162 D C 1.350 177.625 176.300 -0.041 0.000 1.118 162 D CA -0.460 53.522 54.000 -0.030 0.000 0.844 162 D CB 0.750 41.583 40.800 0.054 0.000 1.059 162 D HN 0.343 nan 8.370 nan 0.000 0.493 163 L N 3.320 124.491 121.223 -0.086 0.000 2.554 163 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 163 L C 2.230 179.052 176.870 -0.079 0.000 1.104 163 L CA -0.057 54.727 54.840 -0.093 0.000 0.866 163 L CB 0.135 42.118 42.059 -0.126 0.000 1.047 163 L HN 0.360 nan 8.230 nan 0.000 0.468 164 K N 0.237 120.534 120.400 -0.170 0.000 2.076 164 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 164 K C 1.401 177.883 176.600 -0.196 0.000 1.051 164 K CA 1.417 57.531 56.287 -0.289 0.000 0.949 164 K CB 0.158 32.282 32.500 -0.628 0.000 0.726 164 K HN 0.167 nan 8.250 nan 0.000 0.443 165 Y N -0.469 119.860 120.300 0.048 0.000 2.467 165 Y HA 0.283 4.833 4.550 -0.000 0.000 0.250 165 Y C 0.857 176.717 175.900 -0.066 0.000 1.155 165 Y CA -0.311 57.815 58.100 0.044 0.000 1.249 165 Y CB 0.607 39.087 38.460 0.033 0.000 1.146 165 Y HN -0.030 nan 8.280 nan 0.000 0.524 166 G N 1.730 110.483 108.800 -0.079 0.000 2.508 166 G HA2 0.069 4.029 3.960 -0.000 0.000 0.301 166 G HA3 0.069 4.029 3.960 -0.000 0.000 0.301 166 G C 1.225 175.888 174.900 -0.395 0.000 0.965 166 G CA -0.427 44.586 45.100 -0.146 0.000 1.339 166 G HN 0.278 nan 8.290 nan 0.000 0.455 167 R N 1.844 122.237 120.500 -0.180 0.000 2.139 167 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 167 R C 2.168 178.443 176.300 -0.042 0.000 1.145 167 R CA 2.238 58.284 56.100 -0.089 0.000 0.976 167 R CB -0.604 29.734 30.300 0.064 0.000 0.866 167 R HN 0.555 nan 8.270 nan 0.000 0.449 168 T N -1.376 113.185 114.554 0.012 0.000 2.942 168 T HA -0.045 4.305 4.350 -0.000 0.000 0.265 168 T C 2.063 176.747 174.700 -0.026 0.000 1.062 168 T CA 1.053 63.192 62.100 0.065 0.000 1.139 168 T CB -0.527 68.443 68.868 0.169 0.000 0.883 168 T HN 0.197 nan 8.240 nan 0.000 0.468 169 V N -0.278 119.588 119.914 -0.081 0.000 2.515 169 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 169 V C 2.308 178.348 176.094 -0.090 0.000 1.058 169 V CA 1.507 63.737 62.300 -0.117 0.000 1.064 169 V CB -1.485 30.303 31.823 -0.058 0.000 0.675 169 V HN 0.595 nan 8.190 nan 0.000 0.461 170 H N 1.393 120.412 119.070 -0.085 0.000 2.333 170 H HA -0.045 4.511 4.556 -0.000 0.000 0.302 170 H C 2.612 177.891 175.328 -0.082 0.000 1.075 170 H CA 1.410 57.381 56.048 -0.129 0.000 1.348 170 H CB -0.019 29.697 29.762 -0.077 0.000 1.393 170 H HN 0.514 nan 8.280 nan 0.000 0.509 171 S N 0.941 116.696 115.700 0.092 0.000 2.402 171 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 171 S C 2.056 176.670 174.600 0.023 0.000 1.021 171 S CA 0.777 59.018 58.200 0.068 0.000 0.974 171 S CB -0.176 63.077 63.200 0.089 0.000 0.800 171 S HN 0.180 nan 8.310 nan 0.000 0.484 172 L N 2.044 123.247 121.223 -0.033 0.000 2.156 172 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 172 L C 2.147 179.012 176.870 -0.007 0.000 1.095 172 L CA 1.579 56.388 54.840 -0.052 0.000 0.770 172 L CB -1.169 40.752 42.059 -0.229 0.000 0.914 172 L HN 0.170 nan 8.230 nan 0.000 0.439 173 T N -0.845 113.669 114.554 -0.067 0.000 2.788 173 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 173 T C 1.811 176.445 174.700 -0.109 0.000 1.044 173 T CA 1.643 63.633 62.100 -0.182 0.000 1.139 173 T CB -0.145 68.536 68.868 -0.312 0.000 0.867 173 T HN 0.466 nan 8.240 nan 0.000 0.454 174 Q N 0.274 120.045 119.800 -0.047 0.000 2.119 174 Q HA 0.033 4.373 4.340 -0.000 0.000 0.201 174 Q C 2.669 178.713 176.000 0.074 0.000 0.972 174 Q CA 1.253 57.059 55.803 0.005 0.000 0.847 174 Q CB -0.213 28.538 28.738 0.021 0.000 0.903 174 Q HN 0.557 nan 8.270 nan 0.000 0.433 175 A N 0.774 123.659 122.820 0.108 0.000 1.854 175 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 175 A C 1.987 179.750 177.584 0.298 0.000 1.192 175 A CA 0.772 52.921 52.037 0.187 0.000 0.611 175 A CB -0.619 18.482 19.000 0.169 0.000 0.832 175 A HN 0.275 nan 8.150 nan 0.000 0.442 176 L N -0.526 120.860 121.223 0.272 0.000 2.265 176 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 176 L C 2.705 179.826 176.870 0.419 0.000 1.117 176 L CA 0.786 55.846 54.840 0.367 0.000 0.782 176 L CB -0.383 41.924 42.059 0.414 0.000 0.914 176 L HN 0.463 nan 8.230 nan 0.000 0.441 177 A N -0.571 122.424 122.820 0.292 0.000 2.208 177 A HA -0.073 4.247 4.320 -0.000 0.000 0.209 177 A C 2.121 179.802 177.584 0.161 0.000 1.161 177 A CA 0.555 52.726 52.037 0.223 0.000 0.782 177 A CB -0.173 18.888 19.000 0.102 0.000 0.816 177 A HN 0.275 nan 8.150 nan 0.000 0.477 178 K N -1.340 119.157 120.400 0.162 0.000 2.366 178 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 178 K C -0.508 175.957 176.600 -0.224 0.000 1.044 178 K CA 0.393 56.651 56.287 -0.049 0.000 0.973 178 K CB 0.002 32.416 32.500 -0.143 0.000 0.767 178 K HN 0.495 nan 8.250 nan 0.000 0.475 179 F N 0.374 120.369 119.950 0.075 0.000 2.585 179 F HA 0.239 4.766 4.527 -0.000 0.000 0.350 179 F C 0.600 176.437 175.800 0.061 0.000 1.074 179 F CA -0.992 57.045 58.000 0.062 0.000 1.032 179 F CB 0.877 39.913 39.000 0.061 0.000 1.330 179 F HN -0.220 nan 8.300 nan 0.000 0.495 180 D N -0.408 120.136 120.400 0.239 0.000 2.181 180 D HA 0.342 4.982 4.640 -0.000 0.000 0.248 180 D C 0.607 176.968 176.300 0.102 0.000 1.020 180 D CA 0.556 54.637 54.000 0.135 0.000 0.891 180 D CB 1.689 42.547 40.800 0.095 0.000 1.187 180 D HN 0.793 nan 8.370 nan 0.000 0.443 181 G N 2.196 111.041 108.800 0.075 0.000 2.180 181 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 181 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 181 G C 0.383 175.288 174.900 0.008 0.000 0.989 181 G CA -0.051 45.074 45.100 0.042 0.000 0.692 181 G HN 0.501 nan 8.290 nan 0.000 0.526 182 N N 0.147 118.844 118.700 -0.006 0.000 2.508 182 N HA 0.416 5.156 4.740 -0.000 0.000 0.264 182 N C 0.438 175.777 175.510 -0.286 0.000 1.216 182 N CA 0.174 53.118 53.050 -0.177 0.000 0.943 182 N CB 0.558 38.882 38.487 -0.273 0.000 1.113 182 N HN 0.354 nan 8.380 nan 0.000 0.447 183 R N 1.257 121.453 120.500 -0.507 0.000 2.480 183 R HA 0.382 4.722 4.340 -0.000 0.000 0.306 183 R C -0.933 174.794 176.300 -0.956 0.000 0.958 183 R CA -0.568 55.181 56.100 -0.585 0.000 0.861 183 R CB 0.932 30.890 30.300 -0.570 0.000 1.171 183 R HN 0.396 nan 8.270 nan 0.000 0.445 184 F N 2.616 122.288 119.950 -0.464 0.000 2.421 184 F HA 0.393 4.920 4.527 -0.000 0.000 0.337 184 F C -0.315 174.958 175.800 -0.879 0.000 1.105 184 F CA -0.642 56.995 58.000 -0.605 0.000 1.049 184 F CB 1.035 39.704 39.000 -0.551 0.000 1.139 184 F HN 0.330 nan 8.300 nan 0.000 0.479 185 Y N 2.716 122.845 120.300 -0.285 0.000 2.328 185 Y HA 0.506 5.056 4.550 -0.000 0.000 0.336 185 Y C -0.923 174.878 175.900 -0.166 0.000 0.960 185 Y CA -1.237 56.771 58.100 -0.153 0.000 1.134 185 Y CB 0.883 39.322 38.460 -0.035 0.000 1.166 185 Y HN 0.310 nan 8.280 nan 0.000 0.464 186 F N 4.114 124.324 119.950 0.433 0.000 2.420 186 F HA 0.621 5.147 4.527 -0.000 0.000 0.342 186 F C -0.242 175.724 175.800 0.277 0.000 1.113 186 F CA -1.572 56.597 58.000 0.281 0.000 1.059 186 F CB 1.062 40.169 39.000 0.178 0.000 1.128 186 F HN 0.236 nan 8.300 nan 0.000 0.475 187 I N 3.171 123.987 120.570 0.411 0.000 2.493 187 I HA 0.652 4.822 4.170 -0.000 0.000 0.279 187 I C -0.666 175.633 176.117 0.304 0.000 1.045 187 I CA -0.280 61.251 61.300 0.386 0.000 1.106 187 I CB 1.223 39.449 38.000 0.377 0.000 1.216 187 I HN 0.705 nan 8.210 nan 0.000 0.459 188 A N 6.775 129.670 122.820 0.124 0.000 2.549 188 A HA 0.938 5.258 4.320 -0.000 0.000 0.297 188 A C -2.913 174.421 177.584 -0.415 0.000 1.061 188 A CA -1.561 50.338 52.037 -0.229 0.000 0.690 188 A CB 1.425 20.355 19.000 -0.117 0.000 1.287 188 A HN 0.330 nan 8.150 nan 0.000 0.402 189 P HA 0.134 nan 4.420 nan 0.000 0.270 189 P C 0.065 177.258 177.300 -0.178 0.000 1.223 189 P CA -0.109 62.747 63.100 -0.407 0.000 0.785 189 P CB 0.581 32.038 31.700 -0.405 0.000 0.923 190 D N 1.324 121.678 120.400 -0.076 0.000 2.123 190 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 190 D C 1.691 177.956 176.300 -0.058 0.000 0.992 190 D CA 1.814 55.790 54.000 -0.040 0.000 0.833 190 D CB -0.260 40.538 40.800 -0.003 0.000 0.954 190 D HN 0.418 nan 8.370 nan 0.000 0.455 191 A N 0.432 123.220 122.820 -0.054 0.000 2.121 191 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 191 A C 1.949 179.477 177.584 -0.095 0.000 1.154 191 A CA 0.582 52.591 52.037 -0.046 0.000 0.679 191 A CB -0.260 18.740 19.000 -0.001 0.000 0.795 191 A HN 0.191 nan 8.150 nan 0.000 0.458 192 L N -0.366 120.777 121.223 -0.133 0.000 2.965 192 L HA 0.344 4.684 4.340 -0.000 0.000 0.254 192 L C 0.945 177.695 176.870 -0.201 0.000 1.220 192 L CA -0.439 54.293 54.840 -0.180 0.000 1.023 192 L CB -0.015 41.960 42.059 -0.141 0.000 1.355 192 L HN 0.294 nan 8.230 nan 0.000 0.545 193 A N 0.740 123.451 122.820 -0.181 0.000 2.547 193 A HA 0.089 4.409 4.320 -0.000 0.000 0.233 193 A C 0.289 177.722 177.584 -0.252 0.000 1.067 193 A CA -0.155 51.773 52.037 -0.182 0.000 0.763 193 A CB 0.051 18.963 19.000 -0.148 0.000 1.007 193 A HN 0.322 nan 8.150 nan 0.000 0.506 194 M N 4.499 123.903 119.600 -0.328 0.000 2.307 194 M HA 0.242 4.722 4.480 -0.000 0.000 0.346 194 M C -1.917 174.085 176.300 -0.496 0.000 1.552 194 M CA -1.824 53.183 55.300 -0.489 0.000 1.116 194 M CB 0.056 32.126 32.600 -0.882 0.000 1.889 194 M HN 0.465 nan 8.290 nan 0.000 0.460 195 P HA -0.069 nan 4.420 nan 0.000 0.267 195 P C -0.085 176.928 177.300 -0.479 0.000 1.200 195 P CA 0.014 62.842 63.100 -0.453 0.000 0.772 195 P CB 0.501 31.908 31.700 -0.488 0.000 0.855 196 Q N 1.972 121.608 119.800 -0.273 0.000 2.133 196 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 196 Q C 2.083 177.967 176.000 -0.192 0.000 0.991 196 Q CA 2.196 57.878 55.803 -0.201 0.000 0.867 196 Q CB -1.143 27.550 28.738 -0.075 0.000 0.911 196 Q HN 0.730 nan 8.270 nan 0.000 0.417 197 Y N -1.569 118.605 120.300 -0.210 0.000 2.403 197 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 197 Y C 1.883 177.651 175.900 -0.220 0.000 1.143 197 Y CA 0.462 58.452 58.100 -0.184 0.000 1.257 197 Y CB -0.416 37.944 38.460 -0.167 0.000 0.984 197 Y HN -0.032 nan 8.280 nan 0.000 0.550 198 I N 0.709 120.858 120.570 -0.702 0.000 2.235 198 I HA -0.176 3.994 4.170 -0.000 0.000 0.241 198 I C 2.421 178.240 176.117 -0.497 0.000 1.085 198 I CA 0.945 61.866 61.300 -0.632 0.000 1.378 198 I CB -0.947 36.568 38.000 -0.809 0.000 1.076 198 I HN 0.369 nan 8.210 nan 0.000 0.415 199 L N 0.259 121.138 121.223 -0.574 0.000 2.017 199 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 199 L C 2.246 178.983 176.870 -0.222 0.000 1.073 199 L CA 1.426 55.907 54.840 -0.598 0.000 0.745 199 L CB -0.843 40.802 42.059 -0.690 0.000 0.894 199 L HN 0.215 nan 8.230 nan 0.000 0.432 200 D N -0.131 120.190 120.400 -0.131 0.000 2.116 200 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 200 D C 2.153 178.448 176.300 -0.008 0.000 0.998 200 D CA 1.274 55.261 54.000 -0.021 0.000 0.836 200 D CB -0.214 40.578 40.800 -0.014 0.000 0.951 200 D HN 0.171 nan 8.370 nan 0.000 0.449 201 M N 0.412 119.983 119.600 -0.047 0.000 2.108 201 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 201 M C 2.081 178.376 176.300 -0.008 0.000 1.066 201 M CA 1.223 56.507 55.300 -0.028 0.000 1.107 201 M CB -0.464 32.103 32.600 -0.055 0.000 1.356 201 M HN 0.040 nan 8.290 nan 0.000 0.406 202 L N -0.199 121.002 121.223 -0.036 0.000 2.017 202 L HA -0.256 4.083 4.340 -0.000 0.000 0.208 202 L C 2.162 179.144 176.870 0.186 0.000 1.073 202 L CA 1.399 56.278 54.840 0.066 0.000 0.745 202 L CB -1.091 40.992 42.059 0.040 0.000 0.894 202 L HN 0.245 nan 8.230 nan 0.000 0.432 203 D N -0.028 120.512 120.400 0.234 0.000 2.116 203 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 203 D C 2.072 178.446 176.300 0.123 0.000 0.998 203 D CA 1.180 55.314 54.000 0.224 0.000 0.836 203 D CB -0.182 40.746 40.800 0.213 0.000 0.951 203 D HN 0.278 nan 8.370 nan 0.000 0.449 204 E N 0.386 120.638 120.200 0.087 0.000 2.265 204 E HA -0.172 4.177 4.350 -0.000 0.000 0.196 204 E C 1.164 177.798 176.600 0.057 0.000 0.996 204 E CA 0.803 57.238 56.400 0.059 0.000 0.832 204 E CB 0.121 29.846 29.700 0.042 0.000 0.756 204 E HN 0.054 nan 8.360 nan 0.000 0.491 205 K N -1.159 119.283 120.400 0.070 0.000 2.387 205 K HA 0.106 4.425 4.320 -0.000 0.000 0.198 205 K C 0.589 177.234 176.600 0.076 0.000 1.022 205 K CA 0.585 56.911 56.287 0.066 0.000 1.128 205 K CB 0.609 33.150 32.500 0.069 0.000 0.853 205 K HN 0.218 nan 8.250 nan 0.000 0.523 206 G N 1.254 110.105 108.800 0.085 0.000 2.160 206 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 206 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 206 G C -0.034 174.924 174.900 0.096 0.000 1.008 206 G CA 0.078 45.223 45.100 0.075 0.000 0.724 206 G HN 0.254 nan 8.290 nan 0.000 0.514 207 I N 1.054 121.716 120.570 0.154 0.000 2.396 207 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 207 I C 1.021 177.273 176.117 0.225 0.000 0.999 207 I CA -0.392 61.026 61.300 0.197 0.000 1.310 207 I CB 1.623 39.787 38.000 0.274 0.000 1.404 207 I HN 0.283 nan 8.210 nan 0.000 0.496 208 A N 8.157 131.050 122.820 0.122 0.000 2.409 208 A HA 0.472 4.791 4.320 -0.000 0.000 0.262 208 A C -0.724 176.914 177.584 0.090 0.000 1.113 208 A CA -0.229 51.810 52.037 0.004 0.000 0.790 208 A CB 0.212 19.154 19.000 -0.098 0.000 1.046 208 A HN 0.831 nan 8.150 nan 0.000 0.496 209 W N 0.980 122.263 121.300 -0.029 0.000 3.118 209 W HA 0.693 5.353 4.660 -0.000 0.000 0.328 209 W C -0.841 175.630 176.519 -0.080 0.000 1.239 209 W CA -0.360 56.928 57.345 -0.094 0.000 1.176 209 W CB 0.901 30.418 29.460 0.095 0.000 1.433 209 W HN 1.117 nan 8.180 nan 0.000 0.562 210 S N 1.060 116.819 115.700 0.098 0.000 2.596 210 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 210 S C -1.828 172.939 174.600 0.279 0.000 1.155 210 S CA -0.892 57.347 58.200 0.065 0.000 0.827 210 S CB 2.152 65.344 63.200 -0.013 0.000 1.130 210 S HN 0.352 nan 8.310 nan 0.000 0.467 211 L N 2.660 123.976 121.223 0.156 0.000 2.309 211 L HA 0.615 4.955 4.340 -0.000 0.000 0.282 211 L C -0.020 176.765 176.870 -0.143 0.000 1.036 211 L CA 0.119 55.077 54.840 0.195 0.000 0.806 211 L CB 0.628 42.824 42.059 0.228 0.000 1.220 211 L HN 0.803 nan 8.230 nan 0.000 0.429 212 H N 0.666 119.859 119.070 0.205 0.000 2.895 212 H HA 0.333 4.889 4.556 -0.000 0.000 0.373 212 H C -0.045 175.374 175.328 0.151 0.000 1.174 212 H CA -0.286 55.842 56.048 0.133 0.000 1.144 212 H CB 2.201 32.011 29.762 0.079 0.000 1.793 212 H HN 0.544 nan 8.280 nan 0.000 0.551 213 S N 0.108 115.934 115.700 0.210 0.000 2.557 213 S HA 0.183 4.653 4.470 -0.000 0.000 0.223 213 S C 0.497 175.153 174.600 0.094 0.000 0.969 213 S CA -0.338 57.978 58.200 0.194 0.000 0.927 213 S CB 0.441 63.724 63.200 0.140 0.000 0.806 213 S HN 0.355 nan 8.310 nan 0.000 0.489 214 S N 0.493 116.233 115.700 0.067 0.000 2.536 214 S HA 0.503 4.973 4.470 -0.000 0.000 0.271 214 S C 0.730 175.305 174.600 -0.043 0.000 1.134 214 S CA -0.837 57.334 58.200 -0.049 0.000 0.897 214 S CB 0.680 63.847 63.200 -0.056 0.000 1.094 214 S HN 0.147 nan 8.310 nan 0.000 0.473 215 I N 2.898 123.421 120.570 -0.078 0.000 2.286 215 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 215 I C 2.341 178.384 176.117 -0.124 0.000 1.115 215 I CA 1.366 62.615 61.300 -0.084 0.000 1.392 215 I CB -1.319 36.641 38.000 -0.067 0.000 1.065 215 I HN 0.849 nan 8.210 nan 0.000 0.418 216 E N 1.558 121.692 120.200 -0.109 0.000 2.171 216 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 216 E C 1.903 178.426 176.600 -0.128 0.000 0.997 216 E CA 1.372 57.706 56.400 -0.110 0.000 0.810 216 E CB 0.030 29.674 29.700 -0.093 0.000 0.738 216 E HN 0.549 nan 8.360 nan 0.000 0.467 217 E N -0.723 119.398 120.200 -0.132 0.000 2.338 217 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 217 E C 1.358 177.772 176.600 -0.310 0.000 1.007 217 E CA 0.545 56.852 56.400 -0.155 0.000 0.849 217 E CB 0.576 30.235 29.700 -0.070 0.000 0.774 217 E HN 0.108 nan 8.360 nan 0.000 0.506 218 V N -0.213 119.473 119.914 -0.380 0.000 3.411 218 V HA -0.012 4.107 4.120 -0.000 0.000 0.287 218 V C 1.171 177.037 176.094 -0.380 0.000 1.543 218 V CA 0.070 62.038 62.300 -0.553 0.000 1.028 218 V CB 0.515 31.767 31.823 -0.953 0.000 0.840 218 V HN 0.154 nan 8.190 nan 0.000 0.435 219 M N 1.880 121.336 119.600 -0.240 0.000 2.113 219 M HA -0.209 4.271 4.480 -0.000 0.000 0.255 219 M C 2.110 178.327 176.300 -0.139 0.000 1.073 219 M CA 2.824 58.025 55.300 -0.164 0.000 1.091 219 M CB -0.915 31.610 32.600 -0.125 0.000 1.309 219 M HN 0.364 nan 8.290 nan 0.000 0.407 220 A N -0.773 121.971 122.820 -0.128 0.000 1.997 220 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 220 A C 1.891 179.441 177.584 -0.057 0.000 1.172 220 A CA 2.092 54.078 52.037 -0.085 0.000 0.645 220 A CB -0.742 18.211 19.000 -0.078 0.000 0.813 220 A HN 0.679 nan 8.150 nan 0.000 0.454 221 E N -1.052 119.108 120.200 -0.066 0.000 2.481 221 E HA 0.224 4.574 4.350 -0.000 0.000 0.198 221 E C -0.413 176.290 176.600 0.171 0.000 1.027 221 E CA -0.053 56.391 56.400 0.074 0.000 0.900 221 E CB 0.412 30.158 29.700 0.077 0.000 0.993 221 E HN 0.284 nan 8.360 nan 0.000 0.482 222 V N 1.789 121.721 119.914 0.029 0.000 2.532 222 V HA 0.079 4.199 4.120 -0.000 0.000 0.295 222 V C 0.568 176.678 176.094 0.026 0.000 1.041 222 V CA -0.137 62.199 62.300 0.060 0.000 0.926 222 V CB 1.859 33.656 31.823 -0.043 0.000 0.992 222 V HN -0.020 nan 8.190 nan 0.000 0.457 223 D N 3.183 123.613 120.400 0.050 0.000 2.490 223 D HA 0.239 4.879 4.640 -0.000 0.000 0.244 223 D C 0.025 176.327 176.300 0.004 0.000 0.979 223 D CA 0.851 54.848 54.000 -0.004 0.000 0.924 223 D CB 0.699 41.484 40.800 -0.026 0.000 1.075 223 D HN 0.214 nan 8.370 nan 0.000 0.488 224 I N 1.775 122.371 120.570 0.044 0.000 2.466 224 I HA 0.213 4.382 4.170 -0.000 0.000 0.289 224 I C -0.913 175.278 176.117 0.122 0.000 1.026 224 I CA -0.819 60.527 61.300 0.077 0.000 1.078 224 I CB 2.423 40.477 38.000 0.089 0.000 1.249 224 I HN -0.135 nan 8.210 nan 0.000 0.429 225 L N 8.552 129.852 121.223 0.129 0.000 2.313 225 L HA 0.403 4.743 4.340 -0.000 0.000 0.273 225 L C -1.456 175.534 176.870 0.200 0.000 1.028 225 L CA -0.364 54.563 54.840 0.145 0.000 0.871 225 L CB 0.677 42.784 42.059 0.081 0.000 1.242 225 L HN 0.406 nan 8.230 nan 0.000 0.434 226 Y N 5.885 126.249 120.300 0.106 0.000 2.454 226 Y HA 0.535 5.085 4.550 -0.000 0.000 0.345 226 Y C -0.203 175.733 175.900 0.060 0.000 0.970 226 Y CA -0.616 57.538 58.100 0.090 0.000 1.204 226 Y CB 0.740 39.261 38.460 0.102 0.000 1.122 226 Y HN 0.504 nan 8.280 nan 0.000 0.514 227 M N 4.492 124.048 119.600 -0.074 0.000 2.314 227 M HA 0.342 4.822 4.480 -0.000 0.000 0.342 227 M C -0.185 175.915 176.300 -0.332 0.000 1.171 227 M CA -0.101 55.157 55.300 -0.070 0.000 1.098 227 M CB 1.474 34.086 32.600 0.020 0.000 1.559 227 M HN 0.543 nan 8.290 nan 0.000 0.459 228 T N 1.318 115.760 114.554 -0.185 0.000 2.916 228 T HA 0.585 4.934 4.350 -0.000 0.000 0.292 228 T C -0.498 174.165 174.700 -0.062 0.000 1.055 228 T CA -0.886 61.064 62.100 -0.250 0.000 1.009 228 T CB 2.052 70.892 68.868 -0.046 0.000 1.118 228 T HN 0.703 nan 8.240 nan 0.000 0.497 229 R N 0.380 120.898 120.500 0.031 0.000 2.404 229 R HA 0.725 5.065 4.340 -0.000 0.000 0.291 229 R C -1.030 175.356 176.300 0.142 0.000 1.025 229 R CA -0.672 55.534 56.100 0.177 0.000 0.991 229 R CB 0.421 30.865 30.300 0.239 0.000 1.053 229 R HN 0.268 nan 8.270 nan 0.000 0.479 230 V N 3.361 123.385 119.914 0.184 0.000 2.439 230 V HA 0.165 4.285 4.120 -0.000 0.000 0.282 230 V C -0.290 175.956 176.094 0.253 0.000 1.039 230 V CA -0.750 61.676 62.300 0.211 0.000 0.913 230 V CB 1.317 33.282 31.823 0.236 0.000 0.983 230 V HN 0.761 nan 8.190 nan 0.000 0.460 231 Q N 3.240 123.143 119.800 0.171 0.000 2.296 231 Q HA 0.294 4.634 4.340 -0.000 0.000 0.257 231 Q C 0.806 176.829 176.000 0.039 0.000 0.942 231 Q CA -0.550 55.300 55.803 0.078 0.000 0.939 231 Q CB 0.699 29.457 28.738 0.033 0.000 1.198 231 Q HN 0.766 nan 8.270 nan 0.000 0.429 232 K N 1.253 121.530 120.400 -0.205 0.000 2.585 232 K HA -0.144 4.176 4.320 -0.000 0.000 0.194 232 K C 0.309 176.833 176.600 -0.127 0.000 1.037 232 K CA 1.269 57.335 56.287 -0.368 0.000 0.964 232 K CB 0.172 32.062 32.500 -1.017 0.000 0.787 232 K HN 0.539 nan 8.250 nan 0.000 0.488 233 E N 0.599 120.755 120.200 -0.074 0.000 2.216 233 E HA -0.006 4.343 4.350 -0.000 0.000 0.192 233 E C 1.397 177.989 176.600 -0.014 0.000 0.988 233 E CA 0.250 56.622 56.400 -0.047 0.000 0.834 233 E CB 0.148 29.815 29.700 -0.056 0.000 0.772 233 E HN 0.220 nan 8.360 nan 0.000 0.479 234 R N 0.245 120.757 120.500 0.020 0.000 2.316 234 R HA 0.123 4.463 4.340 -0.000 0.000 0.202 234 R C 0.754 177.128 176.300 0.123 0.000 1.029 234 R CA 0.562 56.702 56.100 0.067 0.000 1.018 234 R CB -0.354 30.030 30.300 0.141 0.000 0.888 234 R HN 0.192 nan 8.270 nan 0.000 0.471 235 L N -0.687 120.605 121.223 0.115 0.000 2.332 235 L HA 0.328 4.668 4.340 -0.000 0.000 0.242 235 L C -0.220 176.705 176.870 0.092 0.000 1.127 235 L CA -1.161 53.755 54.840 0.126 0.000 0.948 235 L CB 1.499 43.675 42.059 0.194 0.000 1.553 235 L HN -0.015 nan 8.230 nan 0.000 0.419 236 D N -1.135 119.322 120.400 0.095 0.000 2.326 236 D HA 0.302 4.942 4.640 -0.000 0.000 0.248 236 D C -2.389 173.966 176.300 0.091 0.000 1.001 236 D CA -1.635 52.405 54.000 0.066 0.000 0.961 236 D CB 2.348 43.179 40.800 0.052 0.000 1.183 236 D HN 0.090 nan 8.370 nan 0.000 0.502 237 P HA -0.193 nan 4.420 nan 0.000 0.219 237 P C 1.292 178.666 177.300 0.124 0.000 1.158 237 P CA 1.915 65.056 63.100 0.069 0.000 0.895 237 P CB 0.078 31.797 31.700 0.030 0.000 0.792 238 S N -1.372 114.384 115.700 0.093 0.000 2.489 238 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 238 S C 1.841 176.500 174.600 0.099 0.000 0.995 238 S CA 0.617 58.869 58.200 0.088 0.000 0.934 238 S CB -0.481 62.755 63.200 0.060 0.000 0.771 238 S HN 0.328 nan 8.310 nan 0.000 0.522 239 E N 0.241 120.511 120.200 0.116 0.000 2.086 239 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 239 E C 1.733 178.406 176.600 0.121 0.000 0.975 239 E CA 0.414 56.877 56.400 0.105 0.000 0.813 239 E CB -0.147 29.613 29.700 0.100 0.000 0.768 239 E HN 0.565 nan 8.360 nan 0.000 0.457 240 Y N 0.944 121.272 120.300 0.047 0.000 2.097 240 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 240 Y C 2.066 178.005 175.900 0.066 0.000 1.152 240 Y CA 2.191 60.324 58.100 0.055 0.000 1.136 240 Y CB -0.395 38.093 38.460 0.046 0.000 0.975 240 Y HN 0.108 nan 8.280 nan 0.000 0.498 241 A N 0.145 123.081 122.820 0.193 0.000 2.066 241 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 241 A C 1.395 179.010 177.584 0.051 0.000 1.157 241 A CA 0.552 52.655 52.037 0.111 0.000 0.670 241 A CB -0.728 18.359 19.000 0.145 0.000 0.804 241 A HN 0.486 nan 8.150 nan 0.000 0.453 242 N N -0.329 118.404 118.700 0.055 0.000 2.317 242 N HA 0.014 4.753 4.740 -0.000 0.000 0.245 242 N C 1.343 176.875 175.510 0.037 0.000 1.294 242 N CA 0.531 53.608 53.050 0.046 0.000 0.924 242 N CB 1.067 39.584 38.487 0.050 0.000 1.186 242 N HN 0.009 nan 8.380 nan 0.000 0.495 243 V N 1.736 121.674 119.914 0.039 0.000 2.708 243 V HA -0.283 3.836 4.120 -0.000 0.000 0.264 243 V C 1.982 178.127 176.094 0.086 0.000 1.124 243 V CA 2.028 64.354 62.300 0.043 0.000 1.138 243 V CB -0.351 31.495 31.823 0.038 0.000 0.706 243 V HN 0.603 nan 8.190 nan 0.000 0.493 244 K N 0.010 120.473 120.400 0.104 0.000 2.148 244 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 244 K C 2.006 178.720 176.600 0.192 0.000 1.050 244 K CA 1.134 57.533 56.287 0.187 0.000 0.942 244 K CB -0.388 32.155 32.500 0.072 0.000 0.724 244 K HN 0.582 nan 8.250 nan 0.000 0.446 245 A N 1.008 123.835 122.820 0.011 0.000 2.292 245 A HA -0.120 4.200 4.320 -0.000 0.000 0.209 245 A C 0.565 178.172 177.584 0.038 0.000 1.209 245 A CA 0.844 52.836 52.037 -0.074 0.000 0.746 245 A CB -0.195 18.686 19.000 -0.198 0.000 0.764 245 A HN 0.165 nan 8.150 nan 0.000 0.492 246 Q N -0.530 119.277 119.800 0.011 0.000 3.091 246 Q HA 0.440 4.780 4.340 -0.000 0.000 0.301 246 Q C -1.139 174.432 176.000 -0.716 0.000 1.337 246 Q CA 0.256 55.922 55.803 -0.227 0.000 1.083 246 Q CB -0.418 28.183 28.738 -0.229 0.000 1.477 246 Q HN 0.483 nan 8.270 nan 0.000 0.537 247 F N -0.099 119.831 119.950 -0.034 0.000 2.679 247 F HA 0.306 4.832 4.527 -0.000 0.000 0.354 247 F C -0.349 175.448 175.800 -0.004 0.000 1.423 247 F CA -0.789 57.206 58.000 -0.008 0.000 1.141 247 F CB 1.081 40.076 39.000 -0.007 0.000 1.168 247 F HN 0.052 nan 8.300 nan 0.000 0.530 248 V N 2.394 122.300 119.914 -0.013 0.000 2.487 248 V HA 0.644 4.764 4.120 -0.000 0.000 0.298 248 V C -1.281 174.810 176.094 -0.005 0.000 1.028 248 V CA -0.859 61.449 62.300 0.013 0.000 0.860 248 V CB 1.850 33.675 31.823 0.003 0.000 0.991 248 V HN 0.258 nan 8.190 nan 0.000 0.427 249 L N 7.760 128.994 121.223 0.018 0.000 2.307 249 L HA 0.695 5.035 4.340 -0.000 0.000 0.282 249 L C 0.166 177.052 176.870 0.026 0.000 1.051 249 L CA 0.239 55.090 54.840 0.019 0.000 0.804 249 L CB 1.101 43.184 42.059 0.040 0.000 1.197 249 L HN 0.733 nan 8.230 nan 0.000 0.431 250 R N 2.627 123.143 120.500 0.027 0.000 2.888 250 R HA 0.576 4.916 4.340 -0.000 0.000 0.266 250 R C 0.532 176.864 176.300 0.052 0.000 1.020 250 R CA -0.192 55.930 56.100 0.037 0.000 0.963 250 R CB 1.690 32.006 30.300 0.026 0.000 1.197 250 R HN 0.778 nan 8.270 nan 0.000 0.481 251 A N 0.692 123.549 122.820 0.061 0.000 1.933 251 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 251 A C 1.849 179.475 177.584 0.071 0.000 1.175 251 A CA 2.142 54.220 52.037 0.069 0.000 0.628 251 A CB -0.509 18.528 19.000 0.062 0.000 0.814 251 A HN 0.769 nan 8.150 nan 0.000 0.444 252 S N 1.024 116.769 115.700 0.075 0.000 2.387 252 S HA -0.198 4.272 4.470 -0.000 0.000 0.230 252 S C 1.228 175.911 174.600 0.138 0.000 1.035 252 S CA 1.452 59.728 58.200 0.126 0.000 1.014 252 S CB -0.552 62.708 63.200 0.100 0.000 0.836 252 S HN 0.630 nan 8.310 nan 0.000 0.466 253 D N 1.721 122.157 120.400 0.061 0.000 2.312 253 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 253 D C 1.592 177.907 176.300 0.024 0.000 0.964 253 D CA 0.533 54.546 54.000 0.022 0.000 0.877 253 D CB -0.316 40.476 40.800 -0.013 0.000 0.924 253 D HN 0.402 nan 8.370 nan 0.000 0.515 254 L N -0.329 120.917 121.223 0.038 0.000 2.552 254 L HA -0.018 4.321 4.340 -0.000 0.000 0.227 254 L C 1.932 178.832 176.870 0.050 0.000 1.146 254 L CA 0.139 54.970 54.840 -0.014 0.000 0.858 254 L CB -0.453 41.597 42.059 -0.015 0.000 0.969 254 L HN 0.039 nan 8.230 nan 0.000 0.451 255 H N 2.007 121.066 119.070 -0.018 0.000 2.322 255 H HA -0.306 4.250 4.556 -0.000 0.000 0.282 255 H C 1.402 176.723 175.328 -0.012 0.000 1.130 255 H CA 2.501 58.545 56.048 -0.007 0.000 1.160 255 H CB -0.052 29.700 29.762 -0.016 0.000 1.352 255 H HN 0.579 nan 8.280 nan 0.000 0.469 256 N N -0.483 118.296 118.700 0.131 0.000 2.401 256 N HA 0.351 5.091 4.740 -0.000 0.000 0.264 256 N C -0.591 174.913 175.510 -0.009 0.000 1.238 256 N CA 0.105 53.186 53.050 0.053 0.000 0.889 256 N CB 1.128 39.629 38.487 0.024 0.000 1.196 256 N HN 0.208 nan 8.380 nan 0.000 0.511 257 A N 1.404 124.197 122.820 -0.044 0.000 2.340 257 A HA 0.250 4.570 4.320 -0.000 0.000 0.268 257 A C 0.348 177.905 177.584 -0.044 0.000 1.100 257 A CA -0.421 51.544 52.037 -0.121 0.000 0.803 257 A CB 0.586 19.374 19.000 -0.353 0.000 1.043 257 A HN 0.293 nan 8.150 nan 0.000 0.488 258 K N 0.723 121.096 120.400 -0.045 0.000 2.440 258 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 258 K C 1.250 177.885 176.600 0.057 0.000 0.980 258 K CA 0.473 56.755 56.287 -0.009 0.000 0.953 258 K CB 0.416 32.897 32.500 -0.032 0.000 0.925 258 K HN 0.741 nan 8.250 nan 0.000 0.497 259 A N 2.317 125.162 122.820 0.041 0.000 2.172 259 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 259 A C 1.260 178.854 177.584 0.016 0.000 1.154 259 A CA 1.733 53.799 52.037 0.049 0.000 0.701 259 A CB -0.696 18.299 19.000 -0.009 0.000 0.789 259 A HN 0.890 nan 8.150 nan 0.000 0.465 260 N N -1.944 116.752 118.700 -0.007 0.000 2.205 260 N HA 0.130 4.870 4.740 -0.000 0.000 0.201 260 N C 0.505 175.988 175.510 -0.044 0.000 1.128 260 N CA -0.229 52.783 53.050 -0.063 0.000 0.867 260 N CB -0.101 38.332 38.487 -0.090 0.000 0.996 260 N HN 0.246 nan 8.380 nan 0.000 0.503 261 M N 1.472 121.093 119.600 0.036 0.000 2.245 261 M HA 0.170 4.650 4.480 -0.000 0.000 0.344 261 M C -0.806 175.526 176.300 0.053 0.000 1.170 261 M CA 0.540 55.838 55.300 -0.002 0.000 1.135 261 M CB 0.411 32.939 32.600 -0.119 0.000 1.574 261 M HN 0.050 nan 8.290 nan 0.000 0.452 262 K N 3.686 124.082 120.400 -0.007 0.000 2.426 262 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 262 K C -1.502 175.147 176.600 0.082 0.000 0.941 262 K CA -0.702 55.590 56.287 0.008 0.000 0.808 262 K CB 2.178 34.602 32.500 -0.128 0.000 1.265 262 K HN 0.518 nan 8.250 nan 0.000 0.432 263 V N 3.561 123.566 119.914 0.153 0.000 2.370 263 V HA 0.389 4.508 4.120 -0.000 0.000 0.283 263 V C -0.447 175.801 176.094 0.257 0.000 1.023 263 V CA -0.853 61.565 62.300 0.196 0.000 0.857 263 V CB 1.138 33.114 31.823 0.256 0.000 0.985 263 V HN 0.481 nan 8.190 nan 0.000 0.443 264 L N 4.402 125.730 121.223 0.175 0.000 2.354 264 L HA 0.731 5.071 4.340 -0.000 0.000 0.269 264 L C -0.441 176.335 176.870 -0.156 0.000 1.005 264 L CA -0.296 54.596 54.840 0.087 0.000 0.819 264 L CB 1.789 43.908 42.059 0.100 0.000 1.311 264 L HN 0.695 nan 8.230 nan 0.000 0.423 265 H N 3.461 122.362 119.070 -0.282 0.000 3.154 265 H HA 0.227 4.783 4.556 -0.000 0.000 0.330 265 H C -2.438 172.758 175.328 -0.218 0.000 1.033 265 H CA -1.038 54.800 56.048 -0.350 0.000 1.393 265 H CB 2.766 32.358 29.762 -0.284 0.000 1.951 265 H HN 0.342 nan 8.280 nan 0.000 0.466 266 P HA -0.108 nan 4.420 nan 0.000 0.220 266 P C -0.006 177.418 177.300 0.207 0.000 1.144 266 P CA 0.689 63.850 63.100 0.101 0.000 0.800 266 P CB 0.967 32.726 31.700 0.099 0.000 0.772 267 L N -3.924 117.536 121.223 0.395 0.000 0.584 267 L HA -0.115 4.225 4.340 -0.000 0.000 0.356 267 L C -2.357 174.603 176.870 0.150 0.000 0.992 267 L CA -0.961 53.979 54.840 0.167 0.000 1.223 267 L CB -2.131 39.987 42.059 0.099 0.000 0.009 267 L HN -0.026 nan 8.230 nan 0.000 0.091 268 P HA 0.201 nan 4.420 nan 0.000 0.271 268 P C -1.019 176.235 177.300 -0.075 0.000 1.216 268 P CA -0.313 62.794 63.100 0.013 0.000 0.771 268 P CB 0.685 32.404 31.700 0.031 0.000 0.864 269 R N 3.510 123.838 120.500 -0.287 0.000 2.254 269 R HA 0.253 4.593 4.340 -0.000 0.000 0.318 269 R C -0.628 175.576 176.300 -0.160 0.000 1.031 269 R CA -0.175 55.645 56.100 -0.467 0.000 0.905 269 R CB 0.660 30.508 30.300 -0.755 0.000 1.050 269 R HN 0.267 nan 8.270 nan 0.000 0.456 270 V N 2.987 122.865 119.914 -0.060 0.000 2.721 270 V HA -0.031 4.089 4.120 -0.000 0.000 0.236 270 V C 0.788 176.886 176.094 0.006 0.000 1.116 270 V CA 1.586 63.881 62.300 -0.008 0.000 1.148 270 V CB 0.043 31.884 31.823 0.031 0.000 0.886 270 V HN 0.919 nan 8.190 nan 0.000 0.490 271 D N -1.150 119.275 120.400 0.042 0.000 2.486 271 D HA -0.060 4.579 4.640 -0.000 0.000 0.243 271 D C 1.511 177.834 176.300 0.039 0.000 1.146 271 D CA 0.440 54.466 54.000 0.042 0.000 0.821 271 D CB -0.631 40.215 40.800 0.077 0.000 1.201 271 D HN 0.445 nan 8.370 nan 0.000 0.525 272 E N 1.480 121.716 120.200 0.061 0.000 2.393 272 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 272 E C 0.386 177.002 176.600 0.027 0.000 1.025 272 E CA 0.587 57.028 56.400 0.068 0.000 0.856 272 E CB 0.041 29.817 29.700 0.126 0.000 0.771 272 E HN 0.444 nan 8.360 nan 0.000 0.526 273 I N 0.917 121.465 120.570 -0.037 0.000 2.478 273 I HA 0.361 4.530 4.170 -0.000 0.000 0.287 273 I C -0.439 175.654 176.117 -0.039 0.000 1.042 273 I CA -1.028 60.237 61.300 -0.059 0.000 1.067 273 I CB 1.973 39.846 38.000 -0.212 0.000 1.233 273 I HN -0.064 nan 8.210 nan 0.000 0.431 274 A N 3.837 126.664 122.820 0.012 0.000 2.354 274 A HA 0.320 4.640 4.320 -0.000 0.000 0.269 274 A C 1.263 178.883 177.584 0.060 0.000 1.109 274 A CA -0.119 51.937 52.037 0.031 0.000 0.800 274 A CB 0.470 19.492 19.000 0.037 0.000 1.045 274 A HN 0.819 nan 8.150 nan 0.000 0.489 275 T N 1.016 115.608 114.554 0.065 0.000 2.792 275 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 275 T C 1.367 176.130 174.700 0.105 0.000 1.059 275 T CA 2.326 64.483 62.100 0.096 0.000 1.136 275 T CB -0.397 68.515 68.868 0.073 0.000 0.846 275 T HN 0.925 nan 8.240 nan 0.000 0.489 276 D N 0.427 120.878 120.400 0.084 0.000 2.363 276 D HA -0.002 4.638 4.640 -0.000 0.000 0.220 276 D C 1.827 178.184 176.300 0.095 0.000 0.994 276 D CA 0.239 54.286 54.000 0.078 0.000 0.890 276 D CB -0.537 40.298 40.800 0.058 0.000 0.906 276 D HN 0.303 nan 8.370 nan 0.000 0.530 277 V N 1.164 121.153 119.914 0.126 0.000 2.379 277 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 277 V C 1.706 177.900 176.094 0.165 0.000 1.044 277 V CA 1.764 64.158 62.300 0.157 0.000 1.036 277 V CB -0.505 31.436 31.823 0.198 0.000 0.664 277 V HN 0.052 nan 8.190 nan 0.000 0.453 278 D N 0.356 120.873 120.400 0.195 0.000 2.218 278 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 278 D C 2.039 178.384 176.300 0.076 0.000 1.007 278 D CA 1.244 55.326 54.000 0.138 0.000 0.879 278 D CB -0.241 40.679 40.800 0.201 0.000 0.918 278 D HN 0.359 nan 8.370 nan 0.000 0.449 279 K N 0.084 120.529 120.400 0.076 0.000 2.432 279 K HA 0.043 4.362 4.320 -0.000 0.000 0.196 279 K C 0.542 177.163 176.600 0.036 0.000 1.038 279 K CA 0.338 56.655 56.287 0.050 0.000 0.986 279 K CB 0.028 32.555 32.500 0.045 0.000 0.782 279 K HN 0.205 nan 8.250 nan 0.000 0.485 280 T N 1.846 116.430 114.554 0.050 0.000 2.882 280 T HA 0.125 4.475 4.350 -0.000 0.000 0.287 280 T C -1.840 172.853 174.700 -0.011 0.000 1.014 280 T CA -1.372 60.749 62.100 0.034 0.000 1.049 280 T CB 1.339 70.281 68.868 0.123 0.000 1.001 280 T HN -0.136 nan 8.240 nan 0.000 0.525 281 P HA -0.082 nan 4.420 nan 0.000 0.223 281 P C 0.662 177.881 177.300 -0.135 0.000 1.144 281 P CA 1.126 64.135 63.100 -0.151 0.000 0.783 281 P CB 0.004 31.526 31.700 -0.297 0.000 0.771 282 H N -1.460 117.630 119.070 0.033 0.000 2.544 282 H HA 0.295 4.851 4.556 -0.000 0.000 0.269 282 H C 0.859 176.230 175.328 0.073 0.000 0.970 282 H CA -0.030 56.026 56.048 0.013 0.000 1.219 282 H CB -0.107 29.661 29.762 0.011 0.000 1.421 282 H HN 0.027 nan 8.280 nan 0.000 0.555 283 A N 0.719 123.620 122.820 0.136 0.000 2.444 283 A HA -0.021 4.298 4.320 -0.000 0.000 0.273 283 A C -0.030 177.496 177.584 -0.097 0.000 1.136 283 A CA -0.108 51.856 52.037 -0.122 0.000 0.799 283 A CB -0.305 18.499 19.000 -0.327 0.000 1.081 283 A HN 0.741 nan 8.150 nan 0.000 0.509 284 W N 3.584 124.632 121.300 -0.420 0.000 2.467 284 W HA 0.118 4.778 4.660 -0.000 0.000 0.369 284 W C 0.002 176.372 176.519 -0.249 0.000 0.938 284 W CA -0.147 57.034 57.345 -0.273 0.000 1.845 284 W CB 0.366 29.771 29.460 -0.090 0.000 1.167 284 W HN 1.090 nan 8.180 nan 0.000 0.558 285 Y N -1.691 118.526 120.300 -0.139 0.000 2.293 285 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 285 Y C 1.739 177.459 175.900 -0.301 0.000 1.137 285 Y CA 0.968 58.919 58.100 -0.250 0.000 1.202 285 Y CB -1.536 36.684 38.460 -0.400 0.000 0.990 285 Y HN -0.208 nan 8.280 nan 0.000 0.537 286 F N 0.427 120.339 119.950 -0.064 0.000 2.270 286 F HA -0.017 4.510 4.527 -0.000 0.000 0.295 286 F C 2.119 177.821 175.800 -0.163 0.000 1.087 286 F CA 0.438 58.398 58.000 -0.067 0.000 1.365 286 F CB -0.971 37.966 39.000 -0.105 0.000 1.056 286 F HN -0.003 nan 8.300 nan 0.000 0.506 287 Q N 0.197 119.842 119.800 -0.259 0.000 2.226 287 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 287 Q C 2.169 178.094 176.000 -0.124 0.000 0.975 287 Q CA 1.307 56.868 55.803 -0.403 0.000 0.866 287 Q CB -0.496 27.487 28.738 -1.259 0.000 0.915 287 Q HN 0.515 nan 8.270 nan 0.000 0.440 288 Q N -0.042 119.744 119.800 -0.023 0.000 1.990 288 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 288 Q C 1.981 178.058 176.000 0.128 0.000 0.980 288 Q CA 1.346 57.233 55.803 0.140 0.000 0.832 288 Q CB -0.225 28.616 28.738 0.172 0.000 0.897 288 Q HN 0.407 nan 8.270 nan 0.000 0.427 289 A N 0.627 123.515 122.820 0.113 0.000 1.958 289 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 289 A C 2.230 179.849 177.584 0.059 0.000 1.178 289 A CA 1.915 54.011 52.037 0.099 0.000 0.642 289 A CB -1.379 17.706 19.000 0.141 0.000 0.816 289 A HN 0.638 nan 8.150 nan 0.000 0.453 290 G N -0.380 108.460 108.800 0.066 0.000 2.408 290 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 290 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 290 G C 1.314 176.272 174.900 0.095 0.000 1.150 290 G CA 0.985 46.117 45.100 0.054 0.000 0.776 290 G HN 0.544 nan 8.290 nan 0.000 0.542 291 N N 1.157 119.989 118.700 0.220 0.000 2.364 291 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 291 N C 2.260 177.850 175.510 0.132 0.000 1.022 291 N CA 0.991 54.271 53.050 0.384 0.000 0.883 291 N CB -0.564 38.246 38.487 0.540 0.000 0.965 291 N HN 0.303 nan 8.380 nan 0.000 0.438 292 G N 1.011 109.815 108.800 0.007 0.000 2.462 292 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 292 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 292 G C 1.409 176.156 174.900 -0.254 0.000 1.121 292 G CA 0.262 45.296 45.100 -0.111 0.000 0.758 292 G HN 0.196 nan 8.290 nan 0.000 0.559 293 I N 0.146 120.499 120.570 -0.362 0.000 2.202 293 I HA -0.023 4.146 4.170 -0.000 0.000 0.242 293 I C 2.411 178.120 176.117 -0.681 0.000 1.091 293 I CA 0.924 61.886 61.300 -0.563 0.000 1.368 293 I CB -1.106 36.420 38.000 -0.790 0.000 1.058 293 I HN 0.108 nan 8.210 nan 0.000 0.410 294 F N 1.117 120.981 119.950 -0.144 0.000 2.149 294 F HA 0.066 4.593 4.527 -0.000 0.000 0.294 294 F C 2.666 178.285 175.800 -0.303 0.000 1.095 294 F CA 0.982 58.848 58.000 -0.222 0.000 1.276 294 F CB -1.353 37.465 39.000 -0.302 0.000 1.023 294 F HN -0.033 nan 8.300 nan 0.000 0.480 295 A N 0.748 123.413 122.820 -0.258 0.000 1.908 295 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 295 A C 2.360 179.850 177.584 -0.156 0.000 1.181 295 A CA 1.553 53.461 52.037 -0.214 0.000 0.627 295 A CB -0.502 18.410 19.000 -0.146 0.000 0.818 295 A HN 0.195 nan 8.150 nan 0.000 0.445 296 R N -0.302 120.066 120.500 -0.220 0.000 2.090 296 R HA -0.083 4.256 4.340 -0.000 0.000 0.228 296 R C 2.167 178.425 176.300 -0.070 0.000 1.110 296 R CA 1.363 57.336 56.100 -0.211 0.000 0.973 296 R CB -0.860 29.141 30.300 -0.499 0.000 0.869 296 R HN 0.740 nan 8.270 nan 0.000 0.440 297 Q N 0.560 120.304 119.800 -0.093 0.000 2.096 297 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 297 Q C 2.179 178.183 176.000 0.007 0.000 0.982 297 Q CA 1.778 57.565 55.803 -0.028 0.000 0.850 297 Q CB -0.225 28.494 28.738 -0.031 0.000 0.901 297 Q HN 0.374 nan 8.270 nan 0.000 0.422 298 A N 0.590 123.404 122.820 -0.009 0.000 1.933 298 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 298 A C 2.003 179.607 177.584 0.033 0.000 1.175 298 A CA 1.117 53.160 52.037 0.010 0.000 0.628 298 A CB -0.512 18.476 19.000 -0.020 0.000 0.814 298 A HN 0.285 nan 8.150 nan 0.000 0.444 299 L N -0.456 120.791 121.223 0.039 0.000 2.056 299 L HA -0.046 4.293 4.340 -0.000 0.000 0.207 299 L C 2.407 179.325 176.870 0.079 0.000 1.078 299 L CA 1.454 56.335 54.840 0.069 0.000 0.749 299 L CB -0.502 41.613 42.059 0.094 0.000 0.901 299 L HN 0.402 nan 8.230 nan 0.000 0.433 300 L N -1.368 119.909 121.223 0.090 0.000 2.083 300 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 300 L C 2.586 179.496 176.870 0.065 0.000 1.083 300 L CA 1.106 55.995 54.840 0.081 0.000 0.752 300 L CB -0.806 41.306 42.059 0.089 0.000 0.899 300 L HN 0.320 nan 8.230 nan 0.000 0.433 301 A N 0.392 123.248 122.820 0.059 0.000 1.845 301 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 301 A C 2.204 179.834 177.584 0.077 0.000 1.195 301 A CA 1.460 53.533 52.037 0.059 0.000 0.616 301 A CB -0.869 18.161 19.000 0.049 0.000 0.832 301 A HN 0.335 nan 8.150 nan 0.000 0.443 302 L N -0.516 120.752 121.223 0.075 0.000 2.127 302 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 302 L C 2.401 179.348 176.870 0.128 0.000 1.089 302 L CA 0.979 55.876 54.840 0.094 0.000 0.757 302 L CB -0.476 41.629 42.059 0.075 0.000 0.899 302 L HN 0.264 nan 8.230 nan 0.000 0.434 303 V N -0.485 119.481 119.914 0.088 0.000 2.649 303 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 303 V C 2.032 178.150 176.094 0.041 0.000 1.054 303 V CA 1.126 63.445 62.300 0.031 0.000 1.073 303 V CB 0.170 31.988 31.823 -0.009 0.000 0.699 303 V HN 0.337 nan 8.190 nan 0.000 0.463 304 L N -0.687 120.601 121.223 0.108 0.000 2.477 304 L HA 0.189 4.529 4.340 -0.000 0.000 0.220 304 L C 0.470 177.513 176.870 0.289 0.000 1.106 304 L CA 0.302 55.229 54.840 0.145 0.000 0.851 304 L CB -0.056 42.053 42.059 0.083 0.000 0.994 304 L HN 0.266 nan 8.230 nan 0.000 0.462 305 N N 0.024 118.876 118.700 0.253 0.000 2.457 305 N HA 0.141 4.881 4.740 -0.000 0.000 0.250 305 N C 0.891 176.363 175.510 -0.064 0.000 0.982 305 N CA -0.393 52.733 53.050 0.126 0.000 0.941 305 N CB 0.837 39.360 38.487 0.059 0.000 1.120 305 N HN -0.072 nan 8.380 nan 0.000 0.505 306 R N 1.115 121.295 120.500 -0.533 0.000 2.136 306 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 306 R C -0.327 175.776 176.300 -0.328 0.000 1.131 306 R CA 1.621 57.218 56.100 -0.838 0.000 0.937 306 R CB -0.356 29.575 30.300 -0.615 0.000 0.863 306 R HN 0.669 nan 8.270 nan 0.000 0.435 307 D N -0.488 119.799 120.400 -0.188 0.000 2.575 307 D HA 0.351 4.990 4.640 -0.000 0.000 0.236 307 D C -0.951 175.319 176.300 -0.051 0.000 1.075 307 D CA -0.647 53.296 54.000 -0.095 0.000 0.860 307 D CB 2.242 42.994 40.800 -0.080 0.000 1.475 307 D HN -0.149 nan 8.370 nan 0.000 0.474 308 L N 1.604 122.814 121.223 -0.022 0.000 2.406 308 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 308 L C -1.318 175.552 176.870 0.000 0.000 0.980 308 L CA -0.648 54.190 54.840 -0.003 0.000 0.831 308 L CB 1.899 43.967 42.059 0.014 0.000 1.253 308 L HN 0.145 nan 8.230 nan 0.000 0.406 309 V N 5.796 125.710 119.914 0.001 0.000 2.383 309 V HA 0.387 4.506 4.120 -0.000 0.000 0.275 309 V C 0.145 176.246 176.094 0.010 0.000 1.036 309 V CA -0.613 61.690 62.300 0.004 0.000 0.889 309 V CB 1.237 33.061 31.823 0.002 0.000 0.985 309 V HN 0.674 nan 8.190 nan 0.000 0.459 310 L N 0.000 121.231 121.223 0.013 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.850 54.840 0.017 0.000 0.813 310 L CB 0.000 42.071 42.059 0.020 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502