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 1ya0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLQSAQYLR QAEVLKADMT DSKLGPAEVW TSRQALQDLY QKMLVTDLEY DATA SEQUENCE ALDKKVEQDL WNHAFKNQIT TLQGQAKNRA NPNRSEVQAN LSLFLEAASG DATA SEQUENCE FYTQLLQELC TXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXQSSSCSYI DATA SEQUENCE CQHCLVHLGD IARYRNQTSQ AESYYRHAAQ LVPSNGQPYN QLAILASSKG DATA SEQUENCE DHLTTIFYYC RSIAVKFPFP AASTNLQKAL SKALESRDEV KTKWGVSDFI DATA SEQUENCE KAFIKFHGHV YLSKSLEKLS PLREKLEEQF KELLFQKAFN SQQLVHVTVI DATA SEQUENCE NLFQLHHLRD FSNETEQHTY SQDEQLCWTQ LLALFMSFLG ILCKCPLQNX DATA SEQUENCE SQEESYNAYP LPAVKVSMDW LRLRPRVFQE AVVDERQYIW PWLISLLNSF DATA SEQUENCE HPHEEDLXSI SATPLPEEFE LQGFLALRPS FRNLDFSKGH XXXXXXKEGQ DATA SEQUENCE QRRIRQQRLI SIGKWIADNQ PRLIQCENEV GKLLFITEIP ELILEDP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.229 176.300 -0.118 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.049 0.000 1.302 2 S N 0.323 115.955 115.700 -0.114 0.000 2.484 2 S HA -0.095 4.375 4.470 0.001 0.000 0.250 2 S C 1.209 175.639 174.600 -0.284 0.000 0.995 2 S CA 1.716 59.790 58.200 -0.209 0.000 0.967 2 S CB -0.954 62.194 63.200 -0.087 0.000 0.752 2 S HN 0.631 nan 8.310 nan 0.000 0.517 3 L N -0.302 120.801 121.223 -0.200 0.000 2.249 3 L HA 0.128 4.468 4.340 0.001 0.000 0.207 3 L C 2.907 179.626 176.870 -0.251 0.000 1.090 3 L CA 0.851 55.576 54.840 -0.192 0.000 0.802 3 L CB -0.456 41.527 42.059 -0.126 0.000 0.947 3 L HN 0.319 nan 8.230 nan 0.000 0.453 4 Q N 0.128 119.749 119.800 -0.297 0.000 2.245 4 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 4 Q C 2.199 177.841 176.000 -0.596 0.000 0.955 4 Q CA 1.305 56.827 55.803 -0.469 0.000 0.870 4 Q CB 0.049 28.510 28.738 -0.461 0.000 0.945 4 Q HN 0.282 nan 8.270 nan 0.000 0.461 5 S N 0.197 115.650 115.700 -0.412 0.000 2.355 5 S HA -0.105 4.366 4.470 0.001 0.000 0.222 5 S C 1.950 176.414 174.600 -0.226 0.000 1.031 5 S CA 0.939 58.955 58.200 -0.306 0.000 0.993 5 S CB -0.641 62.094 63.200 -0.775 0.000 0.859 5 S HN 0.593 nan 8.310 nan 0.000 0.453 6 A N 1.579 124.193 122.820 -0.343 0.000 1.903 6 A HA -0.277 4.043 4.320 0.001 0.000 0.219 6 A C 2.126 179.700 177.584 -0.017 0.000 1.191 6 A CA 1.896 53.875 52.037 -0.097 0.000 0.638 6 A CB -0.776 18.166 19.000 -0.097 0.000 0.823 6 A HN 0.577 nan 8.150 nan 0.000 0.451 7 Q N -1.781 117.957 119.800 -0.105 0.000 2.079 7 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 7 Q C 2.012 178.054 176.000 0.071 0.000 0.974 7 Q CA 1.703 57.467 55.803 -0.065 0.000 0.840 7 Q CB -0.301 28.331 28.738 -0.176 0.000 0.898 7 Q HN 0.894 nan 8.270 nan 0.000 0.430 8 Y N 0.312 120.627 120.300 0.025 0.000 2.274 8 Y HA -0.196 4.354 4.550 0.001 0.000 0.290 8 Y C 2.211 178.178 175.900 0.111 0.000 1.145 8 Y CA 0.165 58.302 58.100 0.062 0.000 1.203 8 Y CB 0.148 38.653 38.460 0.075 0.000 0.984 8 Y HN 0.140 nan 8.280 nan 0.000 0.533 9 L N -0.379 121.032 121.223 0.314 0.000 2.044 9 L HA -0.176 4.164 4.340 0.001 0.000 0.205 9 L C 2.401 179.391 176.870 0.200 0.000 1.075 9 L CA 1.317 56.337 54.840 0.299 0.000 0.747 9 L CB -0.528 41.757 42.059 0.377 0.000 0.903 9 L HN 0.238 nan 8.230 nan 0.000 0.435 10 R N -0.336 120.254 120.500 0.150 0.000 2.096 10 R HA -0.171 4.169 4.340 0.001 0.000 0.235 10 R C 2.236 178.586 176.300 0.082 0.000 1.127 10 R CA 1.078 57.238 56.100 0.100 0.000 0.968 10 R CB -0.235 30.107 30.300 0.070 0.000 0.861 10 R HN 0.471 nan 8.270 nan 0.000 0.440 11 Q N 0.146 120.004 119.800 0.097 0.000 2.096 11 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 11 Q C 2.225 178.245 176.000 0.033 0.000 0.982 11 Q CA 1.734 57.580 55.803 0.071 0.000 0.850 11 Q CB -0.142 28.666 28.738 0.116 0.000 0.901 11 Q HN 0.379 nan 8.270 nan 0.000 0.422 12 A N 1.072 123.926 122.820 0.057 0.000 1.877 12 A HA -0.201 4.119 4.320 0.001 0.000 0.216 12 A C 1.883 179.470 177.584 0.006 0.000 1.186 12 A CA 1.335 53.366 52.037 -0.010 0.000 0.620 12 A CB -0.380 18.688 19.000 0.114 0.000 0.822 12 A HN 0.225 nan 8.150 nan 0.000 0.443 13 E N -0.012 120.228 120.200 0.067 0.000 2.153 13 E HA -0.116 4.235 4.350 0.001 0.000 0.194 13 E C 2.106 178.706 176.600 -0.001 0.000 0.988 13 E CA 1.232 57.662 56.400 0.051 0.000 0.811 13 E CB -0.526 29.213 29.700 0.066 0.000 0.746 13 E HN 0.423 nan 8.360 nan 0.000 0.466 14 V N 1.061 120.972 119.914 -0.006 0.000 2.515 14 V HA -0.192 3.928 4.120 0.001 0.000 0.250 14 V C 2.319 178.378 176.094 -0.058 0.000 1.058 14 V CA 1.166 63.451 62.300 -0.026 0.000 1.064 14 V CB -0.389 31.426 31.823 -0.014 0.000 0.675 14 V HN 0.203 nan 8.190 nan 0.000 0.461 15 L N -0.799 120.376 121.223 -0.080 0.000 2.249 15 L HA 0.001 4.341 4.340 0.001 0.000 0.207 15 L C 2.437 179.220 176.870 -0.144 0.000 1.090 15 L CA 0.896 55.663 54.840 -0.122 0.000 0.802 15 L CB -0.475 41.487 42.059 -0.161 0.000 0.947 15 L HN 0.240 nan 8.230 nan 0.000 0.453 16 K N 1.149 121.474 120.400 -0.124 0.000 1.969 16 K HA -0.196 4.125 4.320 0.001 0.000 0.216 16 K C 2.096 178.569 176.600 -0.212 0.000 1.048 16 K CA 1.686 57.875 56.287 -0.164 0.000 0.948 16 K CB -0.216 32.234 32.500 -0.083 0.000 0.726 16 K HN 0.214 nan 8.250 nan 0.000 0.442 17 A N 1.403 124.132 122.820 -0.151 0.000 2.139 17 A HA -0.218 4.102 4.320 0.001 0.000 0.221 17 A C 1.730 179.233 177.584 -0.135 0.000 1.159 17 A CA 1.942 53.897 52.037 -0.136 0.000 0.662 17 A CB -0.565 18.385 19.000 -0.084 0.000 0.796 17 A HN 0.470 nan 8.150 nan 0.000 0.463 18 D N -0.364 119.954 120.400 -0.137 0.000 2.144 18 D HA -0.116 4.524 4.640 0.001 0.000 0.200 18 D C 1.753 177.951 176.300 -0.170 0.000 0.978 18 D CA 1.180 55.099 54.000 -0.134 0.000 0.833 18 D CB -0.126 40.597 40.800 -0.129 0.000 0.961 18 D HN 0.366 nan 8.370 nan 0.000 0.470 19 M N 0.055 119.529 119.600 -0.211 0.000 2.632 19 M HA -0.038 4.443 4.480 0.001 0.000 0.256 19 M C 1.639 177.806 176.300 -0.221 0.000 1.080 19 M CA 0.749 55.897 55.300 -0.254 0.000 1.084 19 M CB -0.806 31.626 32.600 -0.280 0.000 1.439 19 M HN -0.126 nan 8.290 nan 0.000 0.509 20 T N -0.833 113.612 114.554 -0.181 0.000 3.039 20 T HA 0.014 4.364 4.350 0.001 0.000 0.250 20 T C 0.625 175.254 174.700 -0.118 0.000 1.052 20 T CA -0.186 61.828 62.100 -0.142 0.000 1.125 20 T CB 0.090 68.884 68.868 -0.122 0.000 0.908 20 T HN 0.306 nan 8.240 nan 0.000 0.473 21 D N 2.240 122.569 120.400 -0.118 0.000 2.877 21 D HA -0.064 4.576 4.640 0.001 0.000 0.220 21 D C 1.192 177.440 176.300 -0.086 0.000 1.089 21 D CA 0.328 54.270 54.000 -0.095 0.000 0.811 21 D CB 0.753 41.495 40.800 -0.096 0.000 1.162 21 D HN 0.376 nan 8.370 nan 0.000 0.513 22 S N 2.961 118.621 115.700 -0.067 0.000 2.492 22 S HA 0.038 4.508 4.470 0.001 0.000 0.218 22 S C 1.225 175.798 174.600 -0.045 0.000 1.016 22 S CA 0.079 58.248 58.200 -0.052 0.000 0.916 22 S CB 0.372 63.546 63.200 -0.043 0.000 0.791 22 S HN 0.441 nan 8.310 nan 0.000 0.513 23 K N 0.479 120.850 120.400 -0.048 0.000 2.353 23 K HA 0.396 4.716 4.320 0.001 0.000 0.195 23 K C -0.226 176.349 176.600 -0.042 0.000 1.031 23 K CA 0.055 56.318 56.287 -0.040 0.000 1.079 23 K CB 0.291 32.769 32.500 -0.037 0.000 0.857 23 K HN 0.343 nan 8.250 nan 0.000 0.535 24 L N 0.563 121.753 121.223 -0.054 0.000 2.334 24 L HA 0.360 4.701 4.340 0.001 0.000 0.276 24 L C 0.974 177.812 176.870 -0.054 0.000 1.014 24 L CA -0.938 53.868 54.840 -0.055 0.000 0.815 24 L CB 1.557 43.573 42.059 -0.071 0.000 1.268 24 L HN 0.052 nan 8.230 nan 0.000 0.428 25 G N 1.806 110.584 108.800 -0.037 0.000 2.379 25 G HA2 0.067 4.027 3.960 0.001 0.000 0.287 25 G HA3 0.067 4.027 3.960 0.001 0.000 0.287 25 G C -1.361 173.528 174.900 -0.018 0.000 1.422 25 G CA -0.200 44.887 45.100 -0.021 0.000 1.081 25 G HN 0.590 nan 8.290 nan 0.000 0.569 26 P HA 0.160 nan 4.420 nan 0.000 0.226 26 P C 0.309 177.698 177.300 0.149 0.000 1.161 26 P CA 1.420 64.556 63.100 0.061 0.000 0.804 26 P CB 0.604 32.339 31.700 0.058 0.000 0.829 27 A N -0.023 122.868 122.820 0.119 0.000 3.176 27 A HA 0.370 4.691 4.320 0.001 0.000 0.265 27 A C 0.551 178.196 177.584 0.101 0.000 0.936 27 A CA -0.321 51.828 52.037 0.187 0.000 1.033 27 A CB -0.013 19.075 19.000 0.146 0.000 1.158 27 A HN -0.028 nan 8.150 nan 0.000 0.485 28 E N -1.045 119.176 120.200 0.035 0.000 2.679 28 E HA 0.075 4.426 4.350 0.001 0.000 0.221 28 E C 0.808 177.367 176.600 -0.069 0.000 0.928 28 E CA 0.268 56.664 56.400 -0.006 0.000 1.296 28 E CB 0.885 30.573 29.700 -0.019 0.000 1.235 28 E HN 0.313 nan 8.360 nan 0.000 0.622 29 V N -0.013 119.823 119.914 -0.130 0.000 2.446 29 V HA -0.121 3.999 4.120 0.001 0.000 0.244 29 V C 1.515 177.352 176.094 -0.429 0.000 1.039 29 V CA 1.491 63.595 62.300 -0.326 0.000 1.045 29 V CB -0.283 31.260 31.823 -0.466 0.000 0.681 29 V HN 0.338 nan 8.190 nan 0.000 0.459 30 W N 0.280 121.541 121.300 -0.065 0.000 2.418 30 W HA -0.089 4.571 4.660 0.001 0.000 0.292 30 W C 2.546 179.029 176.519 -0.060 0.000 1.213 30 W CA 1.357 58.667 57.345 -0.060 0.000 1.283 30 W CB -0.800 28.636 29.460 -0.040 0.000 1.119 30 W HN 0.072 nan 8.180 nan 0.000 0.542 31 T N -0.694 113.940 114.554 0.133 0.000 2.977 31 T HA -0.146 4.205 4.350 0.001 0.000 0.271 31 T C 1.712 176.407 174.700 -0.008 0.000 1.105 31 T CA 1.609 63.745 62.100 0.060 0.000 1.116 31 T CB -0.248 68.641 68.868 0.035 0.000 0.878 31 T HN 0.010 nan 8.240 nan 0.000 0.509 32 S N 0.107 115.770 115.700 -0.061 0.000 2.456 32 S HA 0.133 4.604 4.470 0.001 0.000 0.224 32 S C 2.041 176.552 174.600 -0.148 0.000 1.035 32 S CA -0.031 58.101 58.200 -0.114 0.000 0.940 32 S CB 0.061 63.172 63.200 -0.149 0.000 0.799 32 S HN 0.365 nan 8.310 nan 0.000 0.508 33 R N 1.123 121.526 120.500 -0.161 0.000 2.092 33 R HA -0.067 4.273 4.340 0.001 0.000 0.231 33 R C 2.253 178.469 176.300 -0.140 0.000 1.119 33 R CA 1.285 57.276 56.100 -0.181 0.000 0.970 33 R CB -0.189 29.998 30.300 -0.188 0.000 0.864 33 R HN 0.217 nan 8.270 nan 0.000 0.440 34 Q N 0.118 119.887 119.800 -0.052 0.000 2.084 34 Q HA -0.053 4.287 4.340 0.001 0.000 0.202 34 Q C 1.839 177.784 176.000 -0.092 0.000 0.978 34 Q CA 2.093 57.861 55.803 -0.058 0.000 0.844 34 Q CB -0.207 28.536 28.738 0.008 0.000 0.898 34 Q HN 0.431 nan 8.270 nan 0.000 0.426 35 A N 0.085 122.850 122.820 -0.092 0.000 1.877 35 A HA -0.167 4.154 4.320 0.001 0.000 0.216 35 A C 2.088 179.570 177.584 -0.169 0.000 1.186 35 A CA 1.252 53.227 52.037 -0.104 0.000 0.620 35 A CB -0.891 18.053 19.000 -0.092 0.000 0.822 35 A HN 0.459 nan 8.150 nan 0.000 0.443 36 L N -0.719 120.364 121.223 -0.234 0.000 1.971 36 L HA -0.308 4.032 4.340 0.001 0.000 0.215 36 L C 2.966 179.616 176.870 -0.367 0.000 1.072 36 L CA 2.334 56.930 54.840 -0.407 0.000 0.758 36 L CB -0.524 41.300 42.059 -0.392 0.000 0.889 36 L HN 0.659 nan 8.230 nan 0.000 0.433 37 Q N -0.270 119.388 119.800 -0.237 0.000 2.096 37 Q HA -0.291 4.049 4.340 0.001 0.000 0.208 37 Q C 1.729 177.725 176.000 -0.006 0.000 0.993 37 Q CA 2.433 58.127 55.803 -0.181 0.000 0.862 37 Q CB -0.048 28.466 28.738 -0.375 0.000 0.915 37 Q HN 0.556 nan 8.270 nan 0.000 0.416 38 D N 0.157 120.539 120.400 -0.029 0.000 2.097 38 D HA -0.152 4.488 4.640 0.001 0.000 0.197 38 D C 2.005 178.302 176.300 -0.004 0.000 0.984 38 D CA 0.740 54.755 54.000 0.026 0.000 0.826 38 D CB -0.231 40.562 40.800 -0.013 0.000 0.973 38 D HN 0.222 nan 8.370 nan 0.000 0.460 39 L N 0.505 121.678 121.223 -0.084 0.000 1.989 39 L HA -0.196 4.144 4.340 0.001 0.000 0.211 39 L C 2.294 179.184 176.870 0.034 0.000 1.071 39 L CA 1.599 56.365 54.840 -0.122 0.000 0.749 39 L CB -1.036 40.917 42.059 -0.177 0.000 0.890 39 L HN 0.154 nan 8.230 nan 0.000 0.431 40 Y N -0.749 119.569 120.300 0.030 0.000 2.165 40 Y HA -0.358 4.193 4.550 0.001 0.000 0.286 40 Y C 2.811 178.776 175.900 0.108 0.000 1.155 40 Y CA 1.152 59.307 58.100 0.091 0.000 1.164 40 Y CB -0.105 38.437 38.460 0.136 0.000 0.978 40 Y HN 0.410 nan 8.280 nan 0.000 0.513 41 Q N 1.189 121.170 119.800 0.301 0.000 2.119 41 Q HA -0.238 4.102 4.340 0.001 0.000 0.201 41 Q C 2.173 178.232 176.000 0.099 0.000 0.972 41 Q CA 1.697 57.630 55.803 0.216 0.000 0.847 41 Q CB -0.058 28.831 28.738 0.252 0.000 0.903 41 Q HN 0.334 nan 8.270 nan 0.000 0.433 42 K N -0.156 120.264 120.400 0.033 0.000 2.057 42 K HA -0.136 4.184 4.320 0.001 0.000 0.206 42 K C 2.042 178.645 176.600 0.005 0.000 1.050 42 K CA 1.565 57.823 56.287 -0.049 0.000 0.935 42 K CB -0.031 32.325 32.500 -0.241 0.000 0.715 42 K HN 0.249 nan 8.250 nan 0.000 0.439 43 M N 0.602 120.232 119.600 0.050 0.000 2.067 43 M HA -0.176 4.304 4.480 0.001 0.000 0.260 43 M C 2.205 178.595 176.300 0.151 0.000 1.069 43 M CA 1.599 56.998 55.300 0.164 0.000 1.117 43 M CB -0.460 32.288 32.600 0.246 0.000 1.334 43 M HN 0.148 nan 8.290 nan 0.000 0.407 44 L N -0.250 121.050 121.223 0.129 0.000 2.129 44 L HA -0.194 4.147 4.340 0.001 0.000 0.212 44 L C 2.229 179.145 176.870 0.076 0.000 1.087 44 L CA 0.822 55.720 54.840 0.097 0.000 0.757 44 L CB -0.584 41.526 42.059 0.085 0.000 0.896 44 L HN 0.177 nan 8.230 nan 0.000 0.434 45 V N -2.149 117.806 119.914 0.068 0.000 3.174 45 V HA -0.096 4.024 4.120 0.001 0.000 0.254 45 V C 2.211 178.344 176.094 0.065 0.000 1.120 45 V CA 1.457 63.787 62.300 0.050 0.000 1.114 45 V CB 0.397 32.238 31.823 0.030 0.000 0.756 45 V HN 0.360 nan 8.190 nan 0.000 0.467 46 T N -1.301 113.308 114.554 0.092 0.000 2.983 46 T HA 0.038 4.388 4.350 0.001 0.000 0.250 46 T C 0.738 175.506 174.700 0.114 0.000 1.037 46 T CA 0.901 63.068 62.100 0.112 0.000 1.142 46 T CB 0.090 69.060 68.868 0.170 0.000 0.876 46 T HN 0.371 nan 8.240 nan 0.000 0.455 47 D N 0.739 121.222 120.400 0.137 0.000 2.668 47 D HA 0.108 4.748 4.640 0.001 0.000 0.247 47 D C 0.666 177.061 176.300 0.158 0.000 1.268 47 D CA -0.200 53.886 54.000 0.143 0.000 0.842 47 D CB 0.743 41.640 40.800 0.161 0.000 1.399 47 D HN 0.026 nan 8.370 nan 0.000 0.530 48 L N 2.333 123.623 121.223 0.112 0.000 2.081 48 L HA -0.164 4.176 4.340 0.001 0.000 0.212 48 L C 1.956 178.879 176.870 0.089 0.000 1.080 48 L CA 1.977 56.873 54.840 0.094 0.000 0.754 48 L CB -0.014 42.088 42.059 0.071 0.000 0.893 48 L HN 0.258 nan 8.230 nan 0.000 0.433 49 E N -1.042 119.214 120.200 0.093 0.000 2.017 49 E HA -0.298 4.052 4.350 0.001 0.000 0.193 49 E C 2.185 178.831 176.600 0.077 0.000 0.997 49 E CA 1.924 58.367 56.400 0.072 0.000 0.804 49 E CB -0.943 28.804 29.700 0.079 0.000 0.757 49 E HN 0.644 nan 8.360 nan 0.000 0.448 50 Y N 1.465 121.786 120.300 0.034 0.000 2.256 50 Y HA -0.235 4.315 4.550 0.001 0.000 0.288 50 Y C 2.234 178.162 175.900 0.046 0.000 1.155 50 Y CA 1.602 59.726 58.100 0.040 0.000 1.203 50 Y CB -0.285 38.207 38.460 0.053 0.000 0.980 50 Y HN 0.049 nan 8.280 nan 0.000 0.530 51 A N -0.203 122.695 122.820 0.130 0.000 1.855 51 A HA -0.156 4.165 4.320 0.001 0.000 0.215 51 A C 2.042 179.602 177.584 -0.040 0.000 1.191 51 A CA 1.807 53.885 52.037 0.068 0.000 0.613 51 A CB -1.102 17.963 19.000 0.109 0.000 0.829 51 A HN 0.419 nan 8.150 nan 0.000 0.442 52 L N 0.146 121.355 121.223 -0.024 0.000 2.042 52 L HA -0.194 4.146 4.340 0.001 0.000 0.210 52 L C 2.085 178.895 176.870 -0.100 0.000 1.076 52 L CA 2.311 57.126 54.840 -0.042 0.000 0.749 52 L CB -1.064 40.981 42.059 -0.022 0.000 0.893 52 L HN 0.476 nan 8.230 nan 0.000 0.432 53 D N -0.620 119.697 120.400 -0.138 0.000 2.092 53 D HA -0.249 4.391 4.640 0.001 0.000 0.193 53 D C 2.128 178.320 176.300 -0.181 0.000 0.994 53 D CA 1.143 55.042 54.000 -0.169 0.000 0.828 53 D CB 0.055 40.727 40.800 -0.214 0.000 0.963 53 D HN -0.008 nan 8.370 nan 0.000 0.450 54 K N 0.668 120.918 120.400 -0.251 0.000 2.442 54 K HA -0.027 4.293 4.320 0.001 0.000 0.198 54 K C -0.165 176.377 176.600 -0.096 0.000 1.042 54 K CA 0.514 56.691 56.287 -0.183 0.000 0.958 54 K CB 0.043 32.421 32.500 -0.202 0.000 0.766 54 K HN 0.075 nan 8.250 nan 0.000 0.474 55 K N -0.905 119.435 120.400 -0.100 0.000 3.161 55 K HA -0.158 4.162 4.320 0.001 0.000 0.270 55 K C 0.581 177.109 176.600 -0.120 0.000 1.115 55 K CA 0.408 56.649 56.287 -0.077 0.000 0.789 55 K CB -2.282 30.195 32.500 -0.037 0.000 1.256 55 K HN -0.003 nan 8.250 nan 0.000 0.492 56 V N 0.997 120.808 119.914 -0.171 0.000 2.231 56 V HA -0.366 3.754 4.120 0.001 0.000 0.248 56 V C 2.560 178.438 176.094 -0.360 0.000 1.054 56 V CA 2.398 64.467 62.300 -0.385 0.000 1.015 56 V CB -0.471 31.200 31.823 -0.254 0.000 0.638 56 V HN 0.677 nan 8.190 nan 0.000 0.444 57 E N 0.572 120.666 120.200 -0.177 0.000 2.136 57 E HA -0.407 3.943 4.350 0.001 0.000 0.208 57 E C 2.031 178.687 176.600 0.094 0.000 1.035 57 E CA 2.415 58.751 56.400 -0.105 0.000 0.838 57 E CB -0.561 28.878 29.700 -0.435 0.000 0.748 57 E HN 0.737 nan 8.360 nan 0.000 0.459 58 Q N 0.253 120.080 119.800 0.045 0.000 2.137 58 Q HA -0.080 4.260 4.340 0.001 0.000 0.198 58 Q C 1.929 178.017 176.000 0.147 0.000 0.960 58 Q CA 1.232 57.165 55.803 0.216 0.000 0.847 58 Q CB 0.156 28.987 28.738 0.154 0.000 0.915 58 Q HN 0.358 nan 8.270 nan 0.000 0.448 59 D N 0.655 121.046 120.400 -0.015 0.000 2.183 59 D HA -0.115 4.525 4.640 0.001 0.000 0.203 59 D C 1.868 178.271 176.300 0.172 0.000 0.969 59 D CA 0.600 54.585 54.000 -0.026 0.000 0.842 59 D CB 0.109 40.946 40.800 0.062 0.000 0.957 59 D HN 0.116 nan 8.370 nan 0.000 0.484 60 L N 0.475 121.749 121.223 0.084 0.000 2.046 60 L HA -0.097 4.244 4.340 0.001 0.000 0.208 60 L C 1.989 179.218 176.870 0.599 0.000 1.077 60 L CA 1.541 56.639 54.840 0.429 0.000 0.747 60 L CB -0.656 41.616 42.059 0.355 0.000 0.896 60 L HN 0.215 nan 8.230 nan 0.000 0.432 61 W N 0.014 121.523 121.300 0.349 0.000 2.441 61 W HA -0.151 4.509 4.660 0.001 0.000 0.302 61 W C 2.097 178.753 176.519 0.229 0.000 1.191 61 W CA 1.165 58.687 57.345 0.295 0.000 1.327 61 W CB -0.142 29.262 29.460 -0.093 0.000 1.128 61 W HN 0.264 nan 8.180 nan 0.000 0.522 62 N N -0.046 118.682 118.700 0.046 0.000 2.062 62 N HA -0.181 4.559 4.740 0.001 0.000 0.191 62 N C 1.455 176.913 175.510 -0.086 0.000 1.042 62 N CA 1.817 54.782 53.050 -0.143 0.000 0.845 62 N CB -1.076 37.322 38.487 -0.149 0.000 1.024 62 N HN 0.407 nan 8.380 nan 0.000 0.424 63 H N 0.234 119.338 119.070 0.056 0.000 2.428 63 H HA 0.132 4.688 4.556 0.001 0.000 0.296 63 H C 1.743 177.021 175.328 -0.082 0.000 1.062 63 H CA 0.943 56.990 56.048 -0.002 0.000 1.350 63 H CB 0.221 30.018 29.762 0.058 0.000 1.403 63 H HN 0.259 nan 8.280 nan 0.000 0.533 64 A N -0.438 122.413 122.820 0.050 0.000 2.095 64 A HA 0.095 4.416 4.320 0.001 0.000 0.212 64 A C 1.109 178.366 177.584 -0.546 0.000 1.162 64 A CA 0.644 52.518 52.037 -0.272 0.000 0.753 64 A CB 0.097 18.884 19.000 -0.355 0.000 0.840 64 A HN 0.260 nan 8.150 nan 0.000 0.468 65 F N -2.059 117.863 119.950 -0.046 0.000 2.102 65 F HA 0.249 4.776 4.527 0.001 0.000 0.254 65 F C 1.910 177.547 175.800 -0.272 0.000 0.975 65 F CA 0.024 57.993 58.000 -0.051 0.000 1.176 65 F CB -0.183 38.662 39.000 -0.257 0.000 1.358 65 F HN -0.224 nan 8.300 nan 0.000 0.728 66 K N 1.302 121.383 120.400 -0.532 0.000 2.020 66 K HA -0.157 4.164 4.320 0.001 0.000 0.212 66 K C 1.552 178.037 176.600 -0.193 0.000 1.050 66 K CA 1.617 57.618 56.287 -0.477 0.000 0.929 66 K CB -0.756 31.391 32.500 -0.589 0.000 0.714 66 K HN 0.191 nan 8.250 nan 0.000 0.443 67 N N 1.064 119.680 118.700 -0.141 0.000 2.061 67 N HA -0.184 4.556 4.740 0.001 0.000 0.193 67 N C 1.906 177.343 175.510 -0.122 0.000 1.030 67 N CA 1.465 54.460 53.050 -0.092 0.000 0.856 67 N CB -0.319 38.133 38.487 -0.059 0.000 1.023 67 N HN 0.262 nan 8.380 nan 0.000 0.424 68 Q N 0.727 120.436 119.800 -0.152 0.000 2.050 68 Q HA 0.073 4.413 4.340 0.001 0.000 0.202 68 Q C 2.263 178.122 176.000 -0.235 0.000 0.980 68 Q CA 0.808 56.474 55.803 -0.228 0.000 0.840 68 Q CB -0.318 28.194 28.738 -0.377 0.000 0.898 68 Q HN 0.433 nan 8.270 nan 0.000 0.424 69 I N 0.496 120.980 120.570 -0.144 0.000 2.226 69 I HA -0.312 3.858 4.170 0.001 0.000 0.245 69 I C 2.312 178.337 176.117 -0.153 0.000 1.100 69 I CA 1.687 62.927 61.300 -0.101 0.000 1.374 69 I CB -0.822 37.152 38.000 -0.044 0.000 1.057 69 I HN 0.389 nan 8.210 nan 0.000 0.413 70 T N -2.306 112.162 114.554 -0.144 0.000 2.737 70 T HA -0.163 4.187 4.350 0.001 0.000 0.265 70 T C 1.889 176.536 174.700 -0.089 0.000 1.038 70 T CA 1.879 63.910 62.100 -0.115 0.000 1.144 70 T CB -1.027 67.797 68.868 -0.074 0.000 0.866 70 T HN 0.211 nan 8.240 nan 0.000 0.434 71 T N 2.467 116.969 114.554 -0.088 0.000 2.665 71 T HA 0.016 4.366 4.350 0.001 0.000 0.268 71 T C 1.931 176.589 174.700 -0.071 0.000 1.035 71 T CA 1.478 63.535 62.100 -0.072 0.000 1.151 71 T CB -0.608 68.214 68.868 -0.077 0.000 0.862 71 T HN 0.274 nan 8.240 nan 0.000 0.438 72 L N 0.606 121.772 121.223 -0.096 0.000 2.017 72 L HA -0.145 4.195 4.340 0.001 0.000 0.208 72 L C 2.948 179.781 176.870 -0.062 0.000 1.073 72 L CA 1.413 56.202 54.840 -0.086 0.000 0.745 72 L CB -0.596 41.388 42.059 -0.126 0.000 0.894 72 L HN 0.333 nan 8.230 nan 0.000 0.432 73 Q N -0.353 119.403 119.800 -0.074 0.000 2.135 73 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 73 Q C 2.231 178.207 176.000 -0.040 0.000 0.981 73 Q CA 1.452 57.219 55.803 -0.060 0.000 0.856 73 Q CB -0.447 28.235 28.738 -0.094 0.000 0.902 73 Q HN 0.634 nan 8.270 nan 0.000 0.425 74 G N 0.778 109.553 108.800 -0.043 0.000 2.484 74 G HA2 -0.270 3.690 3.960 0.001 0.000 0.215 74 G HA3 -0.270 3.690 3.960 0.001 0.000 0.215 74 G C 1.348 176.235 174.900 -0.022 0.000 1.219 74 G CA 0.457 45.540 45.100 -0.028 0.000 0.791 74 G HN 0.160 nan 8.290 nan 0.000 0.550 75 Q N 0.434 120.219 119.800 -0.025 0.000 2.234 75 Q HA -0.000 4.340 4.340 0.001 0.000 0.206 75 Q C 2.628 178.618 176.000 -0.016 0.000 0.980 75 Q CA 1.318 57.109 55.803 -0.020 0.000 0.869 75 Q CB -0.483 28.243 28.738 -0.021 0.000 0.912 75 Q HN 0.493 nan 8.270 nan 0.000 0.436 76 A N 0.158 122.968 122.820 -0.018 0.000 2.147 76 A HA 0.019 4.339 4.320 0.001 0.000 0.211 76 A C 0.614 178.195 177.584 -0.005 0.000 1.160 76 A CA 0.136 52.167 52.037 -0.011 0.000 0.781 76 A CB 0.222 19.216 19.000 -0.010 0.000 0.842 76 A HN 0.060 nan 8.150 nan 0.000 0.475 77 K N 2.531 122.928 120.400 -0.006 0.000 2.231 77 K HA 0.156 4.476 4.320 0.001 0.000 0.255 77 K C -0.911 175.690 176.600 0.001 0.000 1.108 77 K CA -0.700 55.587 56.287 -0.000 0.000 0.997 77 K CB 0.093 32.592 32.500 -0.001 0.000 1.549 77 K HN 0.288 nan 8.250 nan 0.000 0.419 78 N N 2.677 121.378 118.700 0.002 0.000 1.345 78 N HA -0.235 4.505 4.740 0.001 0.000 0.415 78 N C 0.001 175.512 175.510 0.002 0.000 1.130 78 N CA 0.965 54.016 53.050 0.003 0.000 0.739 78 N CB 0.080 38.570 38.487 0.005 0.000 0.935 78 N HN 0.560 nan 8.380 nan 0.000 0.571 79 R N 1.238 121.738 120.500 0.000 0.000 2.548 79 R HA 0.234 4.575 4.340 0.001 0.000 0.449 79 R C -0.097 176.202 176.300 -0.001 0.000 0.928 79 R CA 0.274 56.374 56.100 -0.001 0.000 1.107 79 R CB 0.206 30.504 30.300 -0.003 0.000 1.557 79 R HN 0.664 nan 8.270 nan 0.000 0.584 80 A N 1.479 124.300 122.820 0.000 0.000 2.519 80 A HA -0.223 4.097 4.320 0.001 0.000 0.297 80 A C -0.249 177.334 177.584 -0.001 0.000 1.472 80 A CA 0.622 52.659 52.037 0.000 0.000 0.739 80 A CB -1.630 17.370 19.000 0.000 0.000 1.096 80 A HN 0.490 nan 8.150 nan 0.000 0.414 81 N N 0.436 119.135 118.700 -0.002 0.000 2.468 81 N HA 0.300 5.040 4.740 0.001 0.000 0.265 81 N C -0.566 174.942 175.510 -0.003 0.000 1.199 81 N CA -1.196 51.852 53.050 -0.003 0.000 0.928 81 N CB 0.638 39.123 38.487 -0.004 0.000 1.059 81 N HN 0.263 nan 8.380 nan 0.000 0.467 82 P HA -0.114 nan 4.420 nan 0.000 0.205 82 P C -0.566 176.732 177.300 -0.004 0.000 1.164 82 P CA 1.459 64.557 63.100 -0.004 0.000 0.938 82 P CB 0.176 31.873 31.700 -0.004 0.000 0.777 83 N N -0.403 118.294 118.700 -0.005 0.000 2.469 83 N HA 0.123 4.863 4.740 0.001 0.000 0.253 83 N C 0.690 176.196 175.510 -0.007 0.000 0.970 83 N CA -0.205 52.842 53.050 -0.006 0.000 0.940 83 N CB 1.002 39.485 38.487 -0.007 0.000 1.128 83 N HN 0.260 nan 8.380 nan 0.000 0.503 84 R N 0.022 120.519 120.500 -0.004 0.000 2.365 84 R HA 0.286 4.626 4.340 0.001 0.000 0.223 84 R C 0.395 176.694 176.300 -0.002 0.000 0.899 84 R CA -0.022 56.076 56.100 -0.004 0.000 1.059 84 R CB 0.081 30.380 30.300 -0.002 0.000 1.086 84 R HN 0.103 nan 8.270 nan 0.000 0.522 85 S N 1.714 117.413 115.700 -0.002 0.000 2.387 85 S HA -0.111 4.359 4.470 0.001 0.000 0.226 85 S C 1.592 176.190 174.600 -0.004 0.000 1.026 85 S CA 1.178 59.378 58.200 -0.000 0.000 0.972 85 S CB -0.023 63.177 63.200 0.000 0.000 0.814 85 S HN 0.457 nan 8.310 nan 0.000 0.477 86 E N 0.845 121.040 120.200 -0.008 0.000 2.051 86 E HA -0.136 4.215 4.350 0.001 0.000 0.192 86 E C 1.911 178.500 176.600 -0.019 0.000 0.991 86 E CA 1.280 57.672 56.400 -0.014 0.000 0.799 86 E CB -0.008 29.682 29.700 -0.016 0.000 0.748 86 E HN 0.275 nan 8.360 nan 0.000 0.449 87 V N 0.999 120.902 119.914 -0.018 0.000 2.358 87 V HA -0.258 3.863 4.120 0.001 0.000 0.246 87 V C 2.306 178.391 176.094 -0.014 0.000 1.047 87 V CA 1.889 64.176 62.300 -0.023 0.000 1.035 87 V CB -0.587 31.223 31.823 -0.020 0.000 0.658 87 V HN 0.300 nan 8.190 nan 0.000 0.452 88 Q N 0.090 119.888 119.800 -0.004 0.000 2.135 88 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 88 Q C 2.402 178.411 176.000 0.015 0.000 0.981 88 Q CA 1.775 57.582 55.803 0.008 0.000 0.856 88 Q CB -0.423 28.322 28.738 0.010 0.000 0.902 88 Q HN 0.689 nan 8.270 nan 0.000 0.425 89 A N 1.573 124.397 122.820 0.007 0.000 1.873 89 A HA -0.194 4.126 4.320 0.001 0.000 0.215 89 A C 1.768 179.360 177.584 0.012 0.000 1.186 89 A CA 1.474 53.517 52.037 0.010 0.000 0.616 89 A CB -0.393 18.607 19.000 -0.000 0.000 0.823 89 A HN 0.290 nan 8.150 nan 0.000 0.442 90 N N 0.033 118.729 118.700 -0.006 0.000 2.142 90 N HA -0.135 4.606 4.740 0.001 0.000 0.186 90 N C 1.606 177.140 175.510 0.040 0.000 1.023 90 N CA 1.473 54.514 53.050 -0.016 0.000 0.852 90 N CB -0.689 37.752 38.487 -0.076 0.000 0.998 90 N HN 0.437 nan 8.380 nan 0.000 0.424 91 L N 0.886 122.129 121.223 0.035 0.000 2.042 91 L HA -0.107 4.234 4.340 0.001 0.000 0.210 91 L C 2.348 179.310 176.870 0.152 0.000 1.076 91 L CA 1.670 56.562 54.840 0.086 0.000 0.749 91 L CB -1.122 40.962 42.059 0.042 0.000 0.893 91 L HN 0.086 nan 8.230 nan 0.000 0.432 92 S N -0.924 114.836 115.700 0.099 0.000 2.356 92 S HA -0.188 4.282 4.470 0.001 0.000 0.223 92 S C 2.014 176.677 174.600 0.106 0.000 1.032 92 S CA 1.613 59.871 58.200 0.097 0.000 1.005 92 S CB -0.611 62.626 63.200 0.062 0.000 0.867 92 S HN 0.495 nan 8.310 nan 0.000 0.449 93 L N 0.645 121.922 121.223 0.090 0.000 2.056 93 L HA 0.112 4.453 4.340 0.001 0.000 0.207 93 L C 1.935 178.871 176.870 0.110 0.000 1.078 93 L CA 1.886 56.770 54.840 0.075 0.000 0.749 93 L CB -1.127 40.955 42.059 0.039 0.000 0.901 93 L HN 0.465 nan 8.230 nan 0.000 0.433 94 F N -0.422 119.535 119.950 0.011 0.000 2.095 94 F HA -0.251 4.276 4.527 0.001 0.000 0.298 94 F C 2.137 178.024 175.800 0.144 0.000 1.104 94 F CA 1.917 59.947 58.000 0.049 0.000 1.232 94 F CB -0.126 38.888 39.000 0.023 0.000 0.987 94 F HN 0.051 nan 8.300 nan 0.000 0.475 95 L N -0.183 121.189 121.223 0.249 0.000 2.046 95 L HA -0.219 4.121 4.340 0.001 0.000 0.208 95 L C 2.479 179.417 176.870 0.114 0.000 1.077 95 L CA 1.551 56.516 54.840 0.208 0.000 0.747 95 L CB -0.820 41.390 42.059 0.252 0.000 0.896 95 L HN 0.179 nan 8.230 nan 0.000 0.432 96 E N 0.117 120.373 120.200 0.093 0.000 2.070 96 E HA -0.279 4.071 4.350 0.001 0.000 0.197 96 E C 2.236 178.866 176.600 0.050 0.000 1.004 96 E CA 1.454 57.895 56.400 0.067 0.000 0.805 96 E CB -0.066 29.667 29.700 0.055 0.000 0.744 96 E HN 0.503 nan 8.360 nan 0.000 0.451 97 A N 1.217 124.045 122.820 0.014 0.000 1.877 97 A HA -0.116 4.205 4.320 0.001 0.000 0.216 97 A C 2.380 180.000 177.584 0.060 0.000 1.186 97 A CA 1.801 53.841 52.037 0.005 0.000 0.620 97 A CB -0.652 18.307 19.000 -0.069 0.000 0.822 97 A HN 0.336 nan 8.150 nan 0.000 0.443 98 A N -0.777 122.053 122.820 0.017 0.000 1.917 98 A HA -0.172 4.148 4.320 0.001 0.000 0.219 98 A C 2.489 180.199 177.584 0.209 0.000 1.182 98 A CA 2.331 54.459 52.037 0.151 0.000 0.633 98 A CB -1.078 17.989 19.000 0.112 0.000 0.819 98 A HN 0.538 nan 8.150 nan 0.000 0.448 99 S N -0.862 114.919 115.700 0.136 0.000 2.370 99 S HA -0.060 4.410 4.470 0.001 0.000 0.226 99 S C 2.011 176.673 174.600 0.104 0.000 1.033 99 S CA 1.723 59.986 58.200 0.104 0.000 1.011 99 S CB -0.648 62.598 63.200 0.076 0.000 0.852 99 S HN 0.743 nan 8.310 nan 0.000 0.457 100 G N 0.127 108.988 108.800 0.101 0.000 2.402 100 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 100 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 100 G C 1.247 176.191 174.900 0.075 0.000 1.162 100 G CA 0.814 45.959 45.100 0.075 0.000 0.777 100 G HN 0.570 nan 8.290 nan 0.000 0.539 101 F N 0.673 120.617 119.950 -0.009 0.000 2.069 101 F HA -0.081 4.447 4.527 0.001 0.000 0.298 101 F C 2.440 178.135 175.800 -0.176 0.000 1.113 101 F CA 1.340 59.294 58.000 -0.078 0.000 1.214 101 F CB -0.309 38.658 39.000 -0.056 0.000 0.978 101 F HN 0.194 nan 8.300 nan 0.000 0.474 102 Y N 0.182 120.380 120.300 -0.170 0.000 2.293 102 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 102 Y C 2.654 178.386 175.900 -0.279 0.000 1.137 102 Y CA 1.765 59.683 58.100 -0.302 0.000 1.202 102 Y CB -1.062 37.280 38.460 -0.196 0.000 0.990 102 Y HN 0.018 nan 8.280 nan 0.000 0.537 103 T N -0.153 114.365 114.554 -0.060 0.000 2.708 103 T HA -0.275 4.075 4.350 0.001 0.000 0.266 103 T C 1.931 176.562 174.700 -0.115 0.000 1.037 103 T CA 1.693 63.753 62.100 -0.068 0.000 1.146 103 T CB -0.305 68.551 68.868 -0.021 0.000 0.865 103 T HN 0.438 nan 8.240 nan 0.000 0.435 104 Q N 0.402 120.105 119.800 -0.161 0.000 2.050 104 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 104 Q C 2.415 178.269 176.000 -0.244 0.000 0.980 104 Q CA 1.356 57.051 55.803 -0.179 0.000 0.840 104 Q CB -0.404 28.226 28.738 -0.179 0.000 0.898 104 Q HN 0.417 nan 8.270 nan 0.000 0.424 105 L N 0.835 121.803 121.223 -0.425 0.000 2.046 105 L HA -0.167 4.174 4.340 0.001 0.000 0.208 105 L C 2.348 179.097 176.870 -0.201 0.000 1.077 105 L CA 1.392 55.987 54.840 -0.408 0.000 0.747 105 L CB -0.831 40.825 42.059 -0.672 0.000 0.896 105 L HN 0.374 nan 8.230 nan 0.000 0.432 106 L N -0.460 120.670 121.223 -0.156 0.000 1.976 106 L HA -0.260 4.080 4.340 0.001 0.000 0.209 106 L C 2.557 179.380 176.870 -0.077 0.000 1.071 106 L CA 1.924 56.708 54.840 -0.094 0.000 0.746 106 L CB -0.854 41.154 42.059 -0.085 0.000 0.890 106 L HN 0.427 nan 8.230 nan 0.000 0.432 107 Q N -0.860 118.893 119.800 -0.078 0.000 2.197 107 Q HA -0.289 4.052 4.340 0.001 0.000 0.207 107 Q C 2.154 178.123 176.000 -0.051 0.000 0.984 107 Q CA 2.008 57.778 55.803 -0.056 0.000 0.869 107 Q CB -0.229 28.478 28.738 -0.052 0.000 0.906 107 Q HN 0.666 nan 8.270 nan 0.000 0.426 108 E N 0.620 120.779 120.200 -0.069 0.000 2.028 108 E HA -0.135 4.216 4.350 0.001 0.000 0.190 108 E C 2.028 178.606 176.600 -0.036 0.000 0.984 108 E CA 0.546 56.914 56.400 -0.053 0.000 0.800 108 E CB 0.074 29.733 29.700 -0.069 0.000 0.758 108 E HN 0.268 nan 8.360 nan 0.000 0.448 109 L N 0.504 121.701 121.223 -0.042 0.000 2.046 109 L HA -0.148 4.192 4.340 0.001 0.000 0.208 109 L C 2.574 179.436 176.870 -0.013 0.000 1.077 109 L CA 1.031 55.857 54.840 -0.022 0.000 0.747 109 L CB -0.421 41.623 42.059 -0.025 0.000 0.896 109 L HN 0.450 nan 8.230 nan 0.000 0.432 110 C N -1.828 117.460 119.300 -0.020 0.000 2.353 110 C HA 0.428 4.889 4.460 0.001 0.000 0.338 110 C C 0.717 175.702 174.990 -0.008 0.000 1.343 110 C CA -0.666 58.345 59.018 -0.011 0.000 1.760 110 C CB -1.587 26.145 27.740 -0.014 0.000 2.111 110 C HN 0.295 nan 8.230 nan 0.000 0.576 144 S N 0.862 116.579 115.700 0.029 0.000 2.560 144 S HA 0.084 4.555 4.470 0.001 0.000 0.284 144 S C 1.169 175.789 174.600 0.033 0.000 1.327 144 S CA 0.605 58.823 58.200 0.029 0.000 1.055 144 S CB 0.998 64.216 63.200 0.031 0.000 0.868 144 S HN 0.416 nan 8.310 nan 0.000 0.506 145 S N 3.073 118.789 115.700 0.027 0.000 2.441 145 S HA -0.050 4.420 4.470 0.001 0.000 0.224 145 S C 2.017 176.647 174.600 0.051 0.000 1.043 145 S CA 0.691 58.907 58.200 0.026 0.000 0.948 145 S CB -0.842 62.356 63.200 -0.003 0.000 0.810 145 S HN 0.897 nan 8.310 nan 0.000 0.504 146 S N 1.168 116.892 115.700 0.039 0.000 2.402 146 S HA -0.090 4.381 4.470 0.001 0.000 0.229 146 S C 1.994 176.666 174.600 0.121 0.000 1.021 146 S CA 0.948 59.194 58.200 0.077 0.000 0.974 146 S CB -1.368 61.856 63.200 0.039 0.000 0.800 146 S HN 0.645 nan 8.310 nan 0.000 0.484 147 C N 1.666 121.010 119.300 0.073 0.000 2.473 147 C HA 0.061 4.522 4.460 0.001 0.000 0.279 147 C C 3.289 178.309 174.990 0.050 0.000 1.250 147 C CA 0.993 60.043 59.018 0.054 0.000 1.713 147 C CB -1.538 26.224 27.740 0.037 0.000 2.066 147 C HN 0.636 nan 8.230 nan 0.000 0.474 148 S N -0.221 115.512 115.700 0.055 0.000 2.387 148 S HA -0.222 4.249 4.470 0.001 0.000 0.230 148 S C 1.537 176.170 174.600 0.054 0.000 1.035 148 S CA 1.858 60.085 58.200 0.045 0.000 1.014 148 S CB -0.578 62.651 63.200 0.048 0.000 0.836 148 S HN 0.699 nan 8.310 nan 0.000 0.466 149 Y N 1.810 122.088 120.300 -0.037 0.000 2.070 149 Y HA -0.071 4.480 4.550 0.001 0.000 0.279 149 Y C 2.104 177.988 175.900 -0.028 0.000 1.134 149 Y CA 1.330 59.400 58.100 -0.050 0.000 1.113 149 Y CB -0.775 37.641 38.460 -0.073 0.000 0.981 149 Y HN 0.190 nan 8.280 nan 0.000 0.487 150 I N -0.591 119.844 120.570 -0.226 0.000 2.335 150 I HA -0.387 3.783 4.170 0.001 0.000 0.251 150 I C 2.167 178.169 176.117 -0.193 0.000 1.129 150 I CA 1.616 62.734 61.300 -0.303 0.000 1.402 150 I CB -0.433 37.522 38.000 -0.076 0.000 1.069 150 I HN 0.485 nan 8.210 nan 0.000 0.424 151 C N 0.187 119.415 119.300 -0.121 0.000 2.440 151 C HA -0.177 4.283 4.460 0.001 0.000 0.278 151 C C 2.697 177.599 174.990 -0.146 0.000 1.295 151 C CA 1.269 60.229 59.018 -0.097 0.000 1.738 151 C CB -1.008 26.702 27.740 -0.049 0.000 1.987 151 C HN 0.589 nan 8.230 nan 0.000 0.492 152 Q N -0.367 119.324 119.800 -0.182 0.000 2.079 152 Q HA -0.215 4.125 4.340 0.001 0.000 0.200 152 Q C 2.274 178.071 176.000 -0.339 0.000 0.974 152 Q CA 1.378 57.050 55.803 -0.217 0.000 0.840 152 Q CB -0.439 28.190 28.738 -0.181 0.000 0.898 152 Q HN 0.768 nan 8.270 nan 0.000 0.430 153 H N -0.459 118.281 119.070 -0.549 0.000 2.387 153 H HA -0.143 4.414 4.556 0.001 0.000 0.299 153 H C 1.941 176.961 175.328 -0.513 0.000 1.099 153 H CA 1.668 57.346 56.048 -0.617 0.000 1.315 153 H CB 0.067 29.413 29.762 -0.692 0.000 1.380 153 H HN 0.441 nan 8.280 nan 0.000 0.513 154 C N 0.380 119.531 119.300 -0.249 0.000 2.446 154 C HA -0.074 4.387 4.460 0.001 0.000 0.277 154 C C 3.111 177.856 174.990 -0.408 0.000 1.275 154 C CA 0.335 59.230 59.018 -0.206 0.000 1.727 154 C CB -1.021 26.696 27.740 -0.038 0.000 2.010 154 C HN 0.471 nan 8.230 nan 0.000 0.486 155 L N 0.345 121.358 121.223 -0.351 0.000 2.042 155 L HA -0.158 4.182 4.340 0.001 0.000 0.210 155 L C 2.608 179.208 176.870 -0.448 0.000 1.076 155 L CA 1.262 55.882 54.840 -0.367 0.000 0.749 155 L CB -0.818 41.141 42.059 -0.167 0.000 0.893 155 L HN 0.210 nan 8.230 nan 0.000 0.432 156 V N -0.362 119.264 119.914 -0.480 0.000 2.233 156 V HA -0.371 3.749 4.120 0.001 0.000 0.247 156 V C 2.301 178.039 176.094 -0.595 0.000 1.050 156 V CA 2.239 64.248 62.300 -0.486 0.000 1.010 156 V CB -0.785 30.575 31.823 -0.771 0.000 0.637 156 V HN 0.485 nan 8.190 nan 0.000 0.444 157 H N -1.336 117.180 119.070 -0.923 0.000 2.421 157 H HA -0.134 4.422 4.556 0.001 0.000 0.298 157 H C 2.038 176.792 175.328 -0.957 0.000 1.087 157 H CA 1.112 56.402 56.048 -1.264 0.000 1.330 157 H CB 0.023 28.636 29.762 -1.914 0.000 1.388 157 H HN 0.215 nan 8.280 nan 0.000 0.526 158 L N 0.406 121.150 121.223 -0.799 0.000 2.265 158 L HA -0.045 4.295 4.340 0.001 0.000 0.215 158 L C 2.347 178.736 176.870 -0.802 0.000 1.117 158 L CA 1.433 55.774 54.840 -0.831 0.000 0.782 158 L CB -0.688 40.706 42.059 -1.109 0.000 0.914 158 L HN 0.299 nan 8.230 nan 0.000 0.441 159 G N -1.767 106.633 108.800 -0.666 0.000 2.411 159 G HA2 -0.160 3.800 3.960 0.001 0.000 0.213 159 G HA3 -0.160 3.800 3.960 0.001 0.000 0.213 159 G C 1.254 175.786 174.900 -0.613 0.000 1.166 159 G CA 0.443 45.131 45.100 -0.687 0.000 0.802 159 G HN 0.336 nan 8.290 nan 0.000 0.533 160 D N 0.976 121.153 120.400 -0.370 0.000 2.117 160 D HA -0.089 4.551 4.640 0.001 0.000 0.197 160 D C 2.521 178.312 176.300 -0.847 0.000 0.987 160 D CA 0.612 54.328 54.000 -0.473 0.000 0.829 160 D CB -0.066 40.496 40.800 -0.397 0.000 0.961 160 D HN 0.345 nan 8.370 nan 0.000 0.460 161 I N 1.498 121.790 120.570 -0.463 0.000 2.226 161 I HA -0.258 3.912 4.170 0.001 0.000 0.245 161 I C 2.612 178.679 176.117 -0.083 0.000 1.100 161 I CA 1.044 62.247 61.300 -0.161 0.000 1.374 161 I CB -0.250 37.755 38.000 0.009 0.000 1.057 161 I HN -0.088 nan 8.210 nan 0.000 0.413 162 A N 0.700 123.449 122.820 -0.118 0.000 1.883 162 A HA -0.278 4.042 4.320 0.001 0.000 0.217 162 A C 2.447 180.004 177.584 -0.045 0.000 1.186 162 A CA 1.986 54.001 52.037 -0.037 0.000 0.624 162 A CB -0.721 18.269 19.000 -0.016 0.000 0.822 162 A HN 0.343 nan 8.150 nan 0.000 0.444 163 R N -1.411 119.008 120.500 -0.134 0.000 2.080 163 R HA -0.183 4.157 4.340 0.001 0.000 0.236 163 R C 2.053 178.439 176.300 0.145 0.000 1.137 163 R CA 2.064 58.145 56.100 -0.032 0.000 0.943 163 R CB -0.512 29.755 30.300 -0.055 0.000 0.846 163 R HN 0.742 nan 8.270 nan 0.000 0.431 164 Y N -0.398 119.958 120.300 0.093 0.000 2.207 164 Y HA -0.176 4.374 4.550 0.001 0.000 0.287 164 Y C 1.860 177.811 175.900 0.085 0.000 1.156 164 Y CA 0.505 58.669 58.100 0.107 0.000 1.182 164 Y CB -0.003 38.545 38.460 0.147 0.000 0.979 164 Y HN 0.010 nan 8.280 nan 0.000 0.521 165 R N 1.567 122.203 120.500 0.226 0.000 2.547 165 R HA -0.010 4.330 4.340 0.001 0.000 0.258 165 R C -0.187 176.169 176.300 0.094 0.000 1.115 165 R CA 0.400 56.585 56.100 0.143 0.000 1.152 165 R CB -0.747 29.621 30.300 0.113 0.000 1.221 165 R HN 0.538 nan 8.270 nan 0.000 0.539 166 N N 0.365 119.125 118.700 0.101 0.000 2.701 166 N HA -0.258 4.482 4.740 0.001 0.000 0.250 166 N C -0.798 174.731 175.510 0.032 0.000 1.046 166 N CA 0.928 54.017 53.050 0.065 0.000 0.733 166 N CB -1.686 36.837 38.487 0.060 0.000 0.973 166 N HN 0.446 nan 8.380 nan 0.000 0.541 167 Q N -0.399 119.410 119.800 0.015 0.000 3.008 167 Q HA 0.180 4.520 4.340 0.001 0.000 0.307 167 Q C 1.151 177.123 176.000 -0.046 0.000 1.273 167 Q CA 0.243 56.037 55.803 -0.015 0.000 1.091 167 Q CB 0.195 28.922 28.738 -0.018 0.000 1.393 167 Q HN 0.569 nan 8.270 nan 0.000 0.521 168 T N -2.760 111.776 114.554 -0.030 0.000 2.649 168 T HA -0.278 4.073 4.350 0.001 0.000 0.268 168 T C 1.911 176.571 174.700 -0.066 0.000 1.036 168 T CA 2.052 64.129 62.100 -0.038 0.000 1.157 168 T CB -0.165 68.697 68.868 -0.011 0.000 0.861 168 T HN 0.258 nan 8.240 nan 0.000 0.445 169 S N 1.539 117.199 115.700 -0.066 0.000 2.343 169 S HA -0.157 4.313 4.470 0.001 0.000 0.219 169 S C 2.223 176.738 174.600 -0.141 0.000 1.033 169 S CA 1.491 59.642 58.200 -0.082 0.000 1.014 169 S CB -0.600 62.556 63.200 -0.073 0.000 0.915 169 S HN 0.628 nan 8.310 nan 0.000 0.435 170 Q N 1.540 121.230 119.800 -0.183 0.000 2.124 170 Q HA 0.020 4.360 4.340 0.001 0.000 0.202 170 Q C 1.981 177.775 176.000 -0.343 0.000 0.977 170 Q CA 1.693 57.298 55.803 -0.329 0.000 0.850 170 Q CB -0.645 27.905 28.738 -0.312 0.000 0.901 170 Q HN 0.475 nan 8.270 nan 0.000 0.429 171 A N 0.318 122.997 122.820 -0.237 0.000 1.902 171 A HA -0.248 4.073 4.320 0.001 0.000 0.217 171 A C 2.036 179.328 177.584 -0.487 0.000 1.181 171 A CA 1.740 53.549 52.037 -0.380 0.000 0.623 171 A CB -0.766 18.023 19.000 -0.351 0.000 0.818 171 A HN 0.643 nan 8.150 nan 0.000 0.443 172 E N -0.446 119.614 120.200 -0.235 0.000 2.028 172 E HA -0.172 4.178 4.350 0.001 0.000 0.191 172 E C 2.208 178.773 176.600 -0.059 0.000 0.988 172 E CA 1.358 57.700 56.400 -0.096 0.000 0.799 172 E CB -0.286 29.395 29.700 -0.030 0.000 0.755 172 E HN 0.505 nan 8.360 nan 0.000 0.447 173 S N -0.915 114.730 115.700 -0.092 0.000 2.374 173 S HA -0.229 4.241 4.470 0.001 0.000 0.227 173 S C 1.846 176.526 174.600 0.133 0.000 1.037 173 S CA 1.538 59.734 58.200 -0.007 0.000 1.024 173 S CB -0.548 62.580 63.200 -0.120 0.000 0.861 173 S HN 0.509 nan 8.310 nan 0.000 0.456 174 Y N -0.213 120.038 120.300 -0.082 0.000 2.114 174 Y HA -0.188 4.362 4.550 0.001 0.000 0.284 174 Y C 2.331 178.204 175.900 -0.045 0.000 1.143 174 Y CA 1.854 59.876 58.100 -0.131 0.000 1.135 174 Y CB -0.501 37.764 38.460 -0.325 0.000 0.980 174 Y HN 0.359 nan 8.280 nan 0.000 0.499 175 Y N -0.137 120.174 120.300 0.019 0.000 2.207 175 Y HA -0.296 4.254 4.550 0.001 0.000 0.287 175 Y C 2.502 178.326 175.900 -0.127 0.000 1.156 175 Y CA 0.325 58.340 58.100 -0.142 0.000 1.182 175 Y CB -0.119 38.209 38.460 -0.219 0.000 0.979 175 Y HN 0.082 nan 8.280 nan 0.000 0.521 176 R N -0.195 120.366 120.500 0.102 0.000 2.075 176 R HA -0.174 4.167 4.340 0.001 0.000 0.230 176 R C 1.836 178.137 176.300 0.002 0.000 1.140 176 R CA 1.569 57.687 56.100 0.029 0.000 0.928 176 R CB -1.394 28.896 30.300 -0.017 0.000 0.834 176 R HN 0.507 nan 8.270 nan 0.000 0.429 177 H N 0.751 119.841 119.070 0.033 0.000 2.362 177 H HA -0.150 4.406 4.556 0.001 0.000 0.294 177 H C 2.050 177.374 175.328 -0.007 0.000 1.113 177 H CA 1.861 57.927 56.048 0.030 0.000 1.253 177 H CB -0.175 29.611 29.762 0.041 0.000 1.363 177 H HN 0.344 nan 8.280 nan 0.000 0.494 178 A N 1.139 124.006 122.820 0.078 0.000 1.877 178 A HA -0.117 4.203 4.320 0.001 0.000 0.216 178 A C 2.758 180.272 177.584 -0.117 0.000 1.186 178 A CA 1.851 53.854 52.037 -0.057 0.000 0.620 178 A CB -0.863 18.061 19.000 -0.126 0.000 0.822 178 A HN 0.462 nan 8.150 nan 0.000 0.443 179 A N -0.713 122.015 122.820 -0.152 0.000 1.877 179 A HA -0.240 4.080 4.320 0.001 0.000 0.216 179 A C 2.073 179.612 177.584 -0.074 0.000 1.186 179 A CA 1.744 53.645 52.037 -0.227 0.000 0.620 179 A CB -0.678 18.187 19.000 -0.225 0.000 0.822 179 A HN 0.638 nan 8.150 nan 0.000 0.443 180 Q N -0.562 119.236 119.800 -0.004 0.000 2.297 180 Q HA -0.086 4.255 4.340 0.001 0.000 0.208 180 Q C 1.898 177.906 176.000 0.014 0.000 0.981 180 Q CA 1.106 56.931 55.803 0.037 0.000 0.876 180 Q CB -0.315 28.483 28.738 0.100 0.000 0.921 180 Q HN 0.704 nan 8.270 nan 0.000 0.446 181 L N -0.893 120.331 121.223 0.003 0.000 2.068 181 L HA -0.017 4.324 4.340 0.001 0.000 0.204 181 L C 0.539 177.407 176.870 -0.004 0.000 1.076 181 L CA 0.597 55.440 54.840 0.005 0.000 0.753 181 L CB 0.477 42.534 42.059 -0.003 0.000 0.910 181 L HN -0.041 nan 8.230 nan 0.000 0.439 182 V N -0.599 119.306 119.914 -0.016 0.000 2.383 182 V HA 0.187 4.308 4.120 0.001 0.000 0.261 182 V C -1.843 174.264 176.094 0.021 0.000 0.987 182 V CA -0.780 61.528 62.300 0.013 0.000 0.853 182 V CB 0.818 32.666 31.823 0.043 0.000 1.095 182 V HN -0.008 nan 8.190 nan 0.000 0.461 183 P HA -0.152 nan 4.420 nan 0.000 0.217 183 P C 1.736 179.168 177.300 0.220 0.000 1.148 183 P CA 1.492 64.656 63.100 0.106 0.000 0.834 183 P CB 0.258 31.953 31.700 -0.009 0.000 0.783 184 S N -1.673 114.141 115.700 0.189 0.000 2.469 184 S HA -0.043 4.428 4.470 0.001 0.000 0.238 184 S C 0.869 175.694 174.600 0.375 0.000 0.998 184 S CA 0.644 59.017 58.200 0.287 0.000 0.957 184 S CB -0.785 62.630 63.200 0.358 0.000 0.764 184 S HN 0.244 nan 8.310 nan 0.000 0.514 185 N N 0.710 119.563 118.700 0.254 0.000 2.479 185 N HA 0.323 5.063 4.740 0.001 0.000 0.285 185 N C 0.806 176.419 175.510 0.173 0.000 1.075 185 N CA -0.006 53.170 53.050 0.211 0.000 0.967 185 N CB 1.435 39.974 38.487 0.086 0.000 1.137 185 N HN 0.219 nan 8.380 nan 0.000 0.472 186 G N 0.471 109.415 108.800 0.239 0.000 3.042 186 G HA2 -0.117 3.844 3.960 0.001 0.000 0.212 186 G HA3 -0.117 3.844 3.960 0.001 0.000 0.212 186 G C 1.057 175.953 174.900 -0.006 0.000 1.166 186 G CA 0.023 45.293 45.100 0.284 0.000 0.767 186 G HN 0.576 nan 8.290 nan 0.000 0.546 187 Q N 0.701 120.358 119.800 -0.239 0.000 2.079 187 Q HA -0.037 4.304 4.340 0.001 0.000 0.200 187 Q C -0.248 175.313 176.000 -0.731 0.000 0.974 187 Q CA 1.362 56.711 55.803 -0.756 0.000 0.840 187 Q CB -0.298 28.051 28.738 -0.649 0.000 0.898 187 Q HN 0.315 nan 8.270 nan 0.000 0.430 188 P HA -0.184 nan 4.420 nan 0.000 0.216 188 P C 0.332 177.210 177.300 -0.703 0.000 1.153 188 P CA 1.433 64.101 63.100 -0.720 0.000 0.858 188 P CB -0.184 31.102 31.700 -0.690 0.000 0.789 189 Y N -0.804 119.301 120.300 -0.326 0.000 2.200 189 Y HA -0.173 4.377 4.550 0.001 0.000 0.290 189 Y C 2.573 178.278 175.900 -0.325 0.000 1.137 189 Y CA 0.928 58.867 58.100 -0.268 0.000 1.163 189 Y CB -1.051 37.369 38.460 -0.067 0.000 0.988 189 Y HN 0.029 nan 8.280 nan 0.000 0.518 190 N N 0.400 119.002 118.700 -0.162 0.000 2.166 190 N HA -0.197 4.543 4.740 0.001 0.000 0.186 190 N C 1.573 176.905 175.510 -0.297 0.000 1.019 190 N CA 1.327 54.309 53.050 -0.114 0.000 0.856 190 N CB 0.005 38.406 38.487 -0.144 0.000 0.993 190 N HN 0.380 nan 8.380 nan 0.000 0.426 191 Q N 0.766 120.200 119.800 -0.611 0.000 2.079 191 Q HA -0.004 4.336 4.340 0.001 0.000 0.200 191 Q C 2.367 177.955 176.000 -0.687 0.000 0.974 191 Q CA 0.610 55.923 55.803 -0.817 0.000 0.840 191 Q CB -0.483 27.282 28.738 -1.623 0.000 0.898 191 Q HN 0.440 nan 8.270 nan 0.000 0.430 192 L N 0.199 120.994 121.223 -0.713 0.000 2.191 192 L HA -0.141 4.200 4.340 0.001 0.000 0.212 192 L C 2.229 178.833 176.870 -0.444 0.000 1.103 192 L CA 1.089 55.564 54.840 -0.608 0.000 0.769 192 L CB -0.380 40.951 42.059 -1.214 0.000 0.908 192 L HN 0.115 nan 8.230 nan 0.000 0.438 193 A N -0.313 122.292 122.820 -0.358 0.000 1.930 193 A HA -0.053 4.267 4.320 0.001 0.000 0.215 193 A C 2.196 179.640 177.584 -0.233 0.000 1.176 193 A CA 0.884 52.733 52.037 -0.314 0.000 0.632 193 A CB -0.435 18.100 19.000 -0.775 0.000 0.819 193 A HN 0.312 nan 8.150 nan 0.000 0.445 194 I N -0.633 119.860 120.570 -0.129 0.000 2.226 194 I HA -0.223 3.947 4.170 0.001 0.000 0.245 194 I C 2.412 178.540 176.117 0.018 0.000 1.100 194 I CA 1.091 62.394 61.300 0.005 0.000 1.374 194 I CB -0.189 37.841 38.000 0.049 0.000 1.057 194 I HN 0.382 nan 8.210 nan 0.000 0.413 195 L N 1.112 122.343 121.223 0.014 0.000 2.046 195 L HA -0.126 4.214 4.340 0.001 0.000 0.208 195 L C 2.543 179.428 176.870 0.024 0.000 1.077 195 L CA 2.101 56.974 54.840 0.056 0.000 0.747 195 L CB -0.731 41.392 42.059 0.105 0.000 0.896 195 L HN 0.171 nan 8.230 nan 0.000 0.432 196 A N -1.738 121.084 122.820 0.003 0.000 1.902 196 A HA -0.207 4.113 4.320 0.001 0.000 0.217 196 A C 2.517 180.080 177.584 -0.034 0.000 1.181 196 A CA 1.856 53.901 52.037 0.012 0.000 0.623 196 A CB -1.089 17.947 19.000 0.060 0.000 0.818 196 A HN 0.501 nan 8.150 nan 0.000 0.443 197 S N 0.225 115.896 115.700 -0.048 0.000 2.368 197 S HA -0.157 4.313 4.470 0.001 0.000 0.225 197 S C 2.285 176.866 174.600 -0.031 0.000 1.030 197 S CA 1.955 60.124 58.200 -0.052 0.000 0.999 197 S CB -0.505 62.702 63.200 0.012 0.000 0.844 197 S HN 0.885 nan 8.310 nan 0.000 0.459 198 S N 0.512 116.217 115.700 0.009 0.000 2.469 198 S HA 0.010 4.481 4.470 0.001 0.000 0.238 198 S C 1.353 175.958 174.600 0.009 0.000 0.998 198 S CA 0.775 58.990 58.200 0.025 0.000 0.957 198 S CB -0.363 62.868 63.200 0.053 0.000 0.764 198 S HN 0.558 nan 8.310 nan 0.000 0.514 199 K N 0.448 120.842 120.400 -0.010 0.000 2.358 199 K HA 0.322 4.642 4.320 0.001 0.000 0.197 199 K C 1.015 177.589 176.600 -0.043 0.000 1.025 199 K CA 0.283 56.564 56.287 -0.010 0.000 1.104 199 K CB 0.249 32.751 32.500 0.003 0.000 0.855 199 K HN 0.461 nan 8.250 nan 0.000 0.531 200 G N 2.768 111.502 108.800 -0.110 0.000 2.198 200 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 200 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 200 G C -0.425 174.291 174.900 -0.306 0.000 1.025 200 G CA 0.356 45.314 45.100 -0.237 0.000 0.769 200 G HN 0.383 nan 8.290 nan 0.000 0.507 201 D N -0.285 119.995 120.400 -0.200 0.000 2.524 201 D HA 0.417 5.057 4.640 0.001 0.000 0.222 201 D C 1.499 177.749 176.300 -0.082 0.000 1.142 201 D CA -0.620 53.339 54.000 -0.069 0.000 0.973 201 D CB -0.053 40.755 40.800 0.015 0.000 1.025 201 D HN 0.491 nan 8.370 nan 0.000 0.519 202 H N 1.373 120.489 119.070 0.076 0.000 2.319 202 H HA -0.135 4.421 4.556 0.001 0.000 0.299 202 H C 1.744 177.124 175.328 0.085 0.000 1.092 202 H CA 1.249 57.344 56.048 0.077 0.000 1.302 202 H CB 0.115 29.927 29.762 0.083 0.000 1.373 202 H HN 0.294 nan 8.280 nan 0.000 0.497 203 L N 0.436 121.806 121.223 0.246 0.000 1.989 203 L HA -0.184 4.157 4.340 0.001 0.000 0.211 203 L C 2.085 179.021 176.870 0.109 0.000 1.071 203 L CA 2.033 57.001 54.840 0.212 0.000 0.749 203 L CB -1.031 41.177 42.059 0.248 0.000 0.890 203 L HN 0.249 nan 8.230 nan 0.000 0.431 204 T N -0.980 113.628 114.554 0.091 0.000 2.720 204 T HA -0.198 4.152 4.350 0.001 0.000 0.268 204 T C 1.716 176.402 174.700 -0.023 0.000 1.037 204 T CA 1.981 64.060 62.100 -0.036 0.000 1.144 204 T CB -0.588 68.339 68.868 0.097 0.000 0.864 204 T HN 0.483 nan 8.240 nan 0.000 0.444 205 T N 2.654 117.202 114.554 -0.011 0.000 2.643 205 T HA -0.057 4.293 4.350 0.001 0.000 0.264 205 T C 1.974 176.540 174.700 -0.224 0.000 1.045 205 T CA 0.947 62.960 62.100 -0.145 0.000 1.155 205 T CB -0.361 68.428 68.868 -0.132 0.000 0.863 205 T HN 0.185 nan 8.240 nan 0.000 0.420 206 I N 1.145 121.687 120.570 -0.047 0.000 2.194 206 I HA -0.136 4.035 4.170 0.001 0.000 0.246 206 I C 2.167 178.201 176.117 -0.139 0.000 1.093 206 I CA 1.290 62.577 61.300 -0.022 0.000 1.355 206 I CB -1.455 36.553 38.000 0.014 0.000 1.046 206 I HN 0.206 nan 8.210 nan 0.000 0.413 207 F N 1.438 121.186 119.950 -0.337 0.000 2.091 207 F HA -0.298 4.229 4.527 0.001 0.000 0.299 207 F C 2.591 178.091 175.800 -0.500 0.000 1.103 207 F CA 1.765 59.456 58.000 -0.514 0.000 1.228 207 F CB -0.856 37.613 39.000 -0.884 0.000 0.984 207 F HN 0.008 nan 8.300 nan 0.000 0.477 208 Y N -1.531 118.535 120.300 -0.391 0.000 2.352 208 Y HA -0.227 4.323 4.550 0.001 0.000 0.292 208 Y C 2.304 178.008 175.900 -0.327 0.000 1.136 208 Y CA 1.357 59.195 58.100 -0.436 0.000 1.227 208 Y CB -0.549 37.772 38.460 -0.232 0.000 0.991 208 Y HN 0.140 nan 8.280 nan 0.000 0.545 209 Y N -2.017 118.206 120.300 -0.130 0.000 2.200 209 Y HA -0.304 4.246 4.550 0.001 0.000 0.290 209 Y C 2.607 178.298 175.900 -0.347 0.000 1.137 209 Y CA 0.586 58.586 58.100 -0.167 0.000 1.163 209 Y CB -0.460 37.891 38.460 -0.181 0.000 0.988 209 Y HN 0.147 nan 8.280 nan 0.000 0.518 210 C N -0.087 118.946 119.300 -0.445 0.000 2.429 210 C HA -0.160 4.300 4.460 0.001 0.000 0.277 210 C C 2.672 177.414 174.990 -0.414 0.000 1.262 210 C CA 0.739 59.242 59.018 -0.859 0.000 1.733 210 C CB -0.853 26.284 27.740 -1.004 0.000 2.010 210 C HN 0.460 nan 8.230 nan 0.000 0.483 211 R N 0.570 120.772 120.500 -0.497 0.000 2.120 211 R HA -0.088 4.252 4.340 0.001 0.000 0.234 211 R C 2.413 178.525 176.300 -0.314 0.000 1.123 211 R CA 1.281 57.051 56.100 -0.550 0.000 0.975 211 R CB -1.097 28.586 30.300 -1.028 0.000 0.866 211 R HN 0.533 nan 8.270 nan 0.000 0.446 212 S N 0.377 116.059 115.700 -0.029 0.000 2.406 212 S HA 0.053 4.523 4.470 0.001 0.000 0.228 212 S C 1.917 176.650 174.600 0.222 0.000 1.020 212 S CA 0.451 58.794 58.200 0.240 0.000 0.965 212 S CB 0.071 63.438 63.200 0.278 0.000 0.798 212 S HN 0.193 nan 8.310 nan 0.000 0.488 213 I N 1.045 121.703 120.570 0.146 0.000 2.584 213 I HA 0.123 4.293 4.170 0.001 0.000 0.255 213 I C 1.212 177.483 176.117 0.256 0.000 1.145 213 I CA 0.499 61.930 61.300 0.219 0.000 1.462 213 I CB -0.147 38.000 38.000 0.245 0.000 1.102 213 I HN 0.250 nan 8.210 nan 0.000 0.433 214 A N 2.162 125.126 122.820 0.240 0.000 3.094 214 A HA 0.540 4.861 4.320 0.001 0.000 0.288 214 A C -0.169 177.452 177.584 0.061 0.000 1.519 214 A CA -0.178 51.952 52.037 0.155 0.000 1.227 214 A CB -0.704 18.369 19.000 0.122 0.000 1.175 214 A HN 0.137 nan 8.150 nan 0.000 0.568 215 V N -1.890 118.074 119.914 0.083 0.000 3.216 215 V HA 0.414 4.535 4.120 0.001 0.000 0.302 215 V C 0.770 176.856 176.094 -0.013 0.000 1.286 215 V CA -1.044 61.302 62.300 0.076 0.000 1.048 215 V CB 1.438 33.380 31.823 0.200 0.000 1.081 215 V HN 0.448 nan 8.190 nan 0.000 0.442 216 K N 0.148 120.472 120.400 -0.127 0.000 2.211 216 K HA 0.065 4.385 4.320 0.001 0.000 0.204 216 K C -0.290 175.831 176.600 -0.798 0.000 1.047 216 K CA 1.997 57.983 56.287 -0.502 0.000 0.935 216 K CB -0.229 31.836 32.500 -0.725 0.000 0.728 216 K HN 0.634 nan 8.250 nan 0.000 0.452 217 F N 1.225 121.230 119.950 0.092 0.000 2.622 217 F HA 0.244 4.771 4.527 0.001 0.000 0.338 217 F C -2.329 173.555 175.800 0.140 0.000 1.334 217 F CA -2.618 55.439 58.000 0.096 0.000 1.179 217 F CB 0.881 39.927 39.000 0.077 0.000 1.471 217 F HN -0.170 nan 8.300 nan 0.000 0.576 218 P HA -0.063 nan 4.420 nan 0.000 0.269 218 P C -0.479 176.996 177.300 0.292 0.000 1.209 218 P CA -0.072 63.177 63.100 0.250 0.000 0.776 218 P CB 1.118 32.929 31.700 0.184 0.000 0.876 219 F N 5.152 125.184 119.950 0.136 0.000 2.434 219 F HA 0.276 4.804 4.527 0.001 0.000 0.358 219 F C -1.487 174.366 175.800 0.088 0.000 1.136 219 F CA -2.596 55.465 58.000 0.103 0.000 1.157 219 F CB 0.129 39.179 39.000 0.083 0.000 1.167 219 F HN 0.239 nan 8.300 nan 0.000 0.539 220 P HA -0.296 nan 4.420 nan 0.000 0.218 220 P C 1.281 178.433 177.300 -0.247 0.000 1.152 220 P CA 2.532 65.511 63.100 -0.201 0.000 0.857 220 P CB 0.086 31.661 31.700 -0.209 0.000 0.787 221 A N -0.668 121.831 122.820 -0.536 0.000 2.067 221 A HA -0.018 4.303 4.320 0.001 0.000 0.219 221 A C 2.252 179.811 177.584 -0.041 0.000 1.158 221 A CA 1.614 53.484 52.037 -0.278 0.000 0.661 221 A CB -1.359 17.454 19.000 -0.312 0.000 0.801 221 A HN 0.209 nan 8.150 nan 0.000 0.452 222 A N -0.423 122.456 122.820 0.098 0.000 1.933 222 A HA -0.075 4.246 4.320 0.001 0.000 0.218 222 A C 2.431 179.975 177.584 -0.067 0.000 1.175 222 A CA 2.010 54.115 52.037 0.115 0.000 0.628 222 A CB -0.763 18.397 19.000 0.267 0.000 0.814 222 A HN 0.436 nan 8.150 nan 0.000 0.444 223 S N -1.083 114.619 115.700 0.003 0.000 2.356 223 S HA -0.150 4.320 4.470 0.001 0.000 0.223 223 S C 2.229 176.822 174.600 -0.011 0.000 1.032 223 S CA 1.882 60.108 58.200 0.043 0.000 1.005 223 S CB -0.531 62.731 63.200 0.104 0.000 0.867 223 S HN 0.784 nan 8.310 nan 0.000 0.449 224 T N 1.435 115.962 114.554 -0.046 0.000 2.915 224 T HA -0.020 4.331 4.350 0.001 0.000 0.269 224 T C 1.390 176.012 174.700 -0.129 0.000 1.071 224 T CA 1.488 63.556 62.100 -0.053 0.000 1.132 224 T CB -0.550 68.293 68.868 -0.042 0.000 0.878 224 T HN 0.470 nan 8.240 nan 0.000 0.479 225 N N 0.256 118.804 118.700 -0.254 0.000 2.135 225 N HA 0.004 4.745 4.740 0.001 0.000 0.186 225 N C 1.724 176.843 175.510 -0.651 0.000 1.027 225 N CA 1.087 53.849 53.050 -0.480 0.000 0.849 225 N CB -0.211 37.819 38.487 -0.762 0.000 1.002 225 N HN 0.191 nan 8.380 nan 0.000 0.425 226 L N 1.882 122.696 121.223 -0.682 0.000 1.994 226 L HA -0.205 4.135 4.340 0.001 0.000 0.208 226 L C 2.476 179.218 176.870 -0.214 0.000 1.071 226 L CA 1.710 56.270 54.840 -0.467 0.000 0.745 226 L CB -0.976 40.821 42.059 -0.437 0.000 0.892 226 L HN 0.207 nan 8.230 nan 0.000 0.431 227 Q N -0.290 119.467 119.800 -0.071 0.000 2.045 227 Q HA -0.333 4.008 4.340 0.001 0.000 0.206 227 Q C 2.386 178.391 176.000 0.008 0.000 0.991 227 Q CA 2.615 58.465 55.803 0.079 0.000 0.851 227 Q CB -0.343 28.470 28.738 0.126 0.000 0.911 227 Q HN 0.569 nan 8.270 nan 0.000 0.418 228 K N -0.506 119.871 120.400 -0.037 0.000 2.063 228 K HA -0.181 4.139 4.320 0.001 0.000 0.208 228 K C 1.935 178.532 176.600 -0.005 0.000 1.048 228 K CA 1.276 57.551 56.287 -0.021 0.000 0.928 228 K CB -0.261 32.221 32.500 -0.029 0.000 0.713 228 K HN 0.332 nan 8.250 nan 0.000 0.442 229 A N 1.245 124.054 122.820 -0.019 0.000 1.873 229 A HA -0.080 4.240 4.320 0.001 0.000 0.215 229 A C 2.115 179.716 177.584 0.028 0.000 1.186 229 A CA 1.123 53.186 52.037 0.043 0.000 0.616 229 A CB -0.575 18.492 19.000 0.113 0.000 0.823 229 A HN 0.305 nan 8.150 nan 0.000 0.442 230 L N -0.339 120.882 121.223 -0.002 0.000 2.083 230 L HA -0.160 4.180 4.340 0.001 0.000 0.209 230 L C 2.821 179.679 176.870 -0.019 0.000 1.083 230 L CA 1.451 56.286 54.840 -0.009 0.000 0.752 230 L CB -0.505 41.551 42.059 -0.005 0.000 0.899 230 L HN 0.331 nan 8.230 nan 0.000 0.433 231 S N -0.319 115.379 115.700 -0.003 0.000 2.368 231 S HA -0.215 4.255 4.470 0.001 0.000 0.225 231 S C 1.971 176.560 174.600 -0.019 0.000 1.030 231 S CA 1.388 59.579 58.200 -0.015 0.000 0.999 231 S CB -0.123 63.077 63.200 0.001 0.000 0.844 231 S HN 0.331 nan 8.310 nan 0.000 0.459 232 K N 1.451 121.851 120.400 -0.001 0.000 2.057 232 K HA -0.062 4.259 4.320 0.001 0.000 0.207 232 K C 2.243 178.838 176.600 -0.009 0.000 1.049 232 K CA 1.149 57.440 56.287 0.006 0.000 0.931 232 K CB -0.379 32.138 32.500 0.030 0.000 0.714 232 K HN 0.274 nan 8.250 nan 0.000 0.440 233 A N 1.573 124.385 122.820 -0.014 0.000 1.892 233 A HA -0.153 4.167 4.320 0.001 0.000 0.218 233 A C 1.913 179.458 177.584 -0.065 0.000 1.188 233 A CA 1.480 53.495 52.037 -0.037 0.000 0.631 233 A CB -0.767 18.213 19.000 -0.033 0.000 0.822 233 A HN 0.376 nan 8.150 nan 0.000 0.447 234 L N -0.336 120.829 121.223 -0.097 0.000 2.749 234 L HA -0.055 4.285 4.340 0.001 0.000 0.245 234 L C 1.571 178.401 176.870 -0.068 0.000 1.156 234 L CA 0.398 55.153 54.840 -0.142 0.000 0.890 234 L CB -0.479 41.438 42.059 -0.236 0.000 1.036 234 L HN 0.502 nan 8.230 nan 0.000 0.441 235 E N -1.187 118.989 120.200 -0.039 0.000 2.472 235 E HA 0.048 4.399 4.350 0.001 0.000 0.196 235 E C 0.705 177.299 176.600 -0.010 0.000 1.033 235 E CA -0.171 56.219 56.400 -0.017 0.000 0.886 235 E CB 0.606 30.301 29.700 -0.008 0.000 0.944 235 E HN 0.158 nan 8.360 nan 0.000 0.492 236 S N 0.471 116.161 115.700 -0.017 0.000 2.578 236 S HA 0.302 4.772 4.470 0.001 0.000 0.283 236 S C -0.017 174.584 174.600 0.001 0.000 1.195 236 S CA -0.784 57.407 58.200 -0.014 0.000 1.050 236 S CB 0.792 63.972 63.200 -0.033 0.000 1.012 236 S HN -0.022 nan 8.310 nan 0.000 0.511 237 R N 1.930 122.435 120.500 0.008 0.000 2.649 237 R HA 0.248 4.588 4.340 0.001 0.000 0.270 237 R C -0.399 175.919 176.300 0.030 0.000 1.105 237 R CA -0.474 55.641 56.100 0.026 0.000 1.193 237 R CB -0.019 30.297 30.300 0.026 0.000 1.120 237 R HN 0.691 nan 8.270 nan 0.000 0.561 238 D N 1.729 122.162 120.400 0.055 0.000 2.478 238 D HA -0.053 4.587 4.640 0.001 0.000 0.234 238 D C -0.037 176.298 176.300 0.059 0.000 1.154 238 D CA 0.578 54.622 54.000 0.074 0.000 0.874 238 D CB 0.412 41.271 40.800 0.098 0.000 1.198 238 D HN 0.273 nan 8.370 nan 0.000 0.455 239 E N 0.423 120.656 120.200 0.054 0.000 2.414 239 E HA 0.046 4.397 4.350 0.001 0.000 0.263 239 E C 0.810 177.488 176.600 0.130 0.000 1.000 239 E CA -0.390 56.026 56.400 0.025 0.000 0.914 239 E CB 1.119 30.736 29.700 -0.139 0.000 0.948 239 E HN 0.182 nan 8.360 nan 0.000 0.444 240 V N 3.299 123.270 119.914 0.094 0.000 2.788 240 V HA -0.104 4.016 4.120 0.001 0.000 0.251 240 V C 0.669 176.854 176.094 0.152 0.000 1.068 240 V CA 1.074 63.438 62.300 0.107 0.000 1.090 240 V CB -0.362 31.501 31.823 0.067 0.000 0.710 240 V HN 0.525 nan 8.190 nan 0.000 0.467 241 K N 0.941 121.458 120.400 0.195 0.000 2.258 241 K HA 0.203 4.523 4.320 0.001 0.000 0.264 241 K C 1.244 178.065 176.600 0.368 0.000 1.007 241 K CA 0.662 57.101 56.287 0.253 0.000 0.941 241 K CB 0.790 33.449 32.500 0.266 0.000 0.966 241 K HN 0.340 nan 8.250 nan 0.000 0.480 242 T N -1.643 113.039 114.554 0.213 0.000 3.022 242 T HA 0.050 4.400 4.350 0.001 0.000 0.250 242 T C 0.389 175.076 174.700 -0.021 0.000 1.060 242 T CA 0.084 62.234 62.100 0.082 0.000 1.013 242 T CB 0.223 69.111 68.868 0.032 0.000 0.982 242 T HN 0.413 nan 8.240 nan 0.000 0.508 243 K N 0.836 121.308 120.400 0.121 0.000 2.483 243 K HA 0.398 4.719 4.320 0.001 0.000 0.256 243 K C -1.456 175.347 176.600 0.339 0.000 0.961 243 K CA -0.880 55.462 56.287 0.090 0.000 0.873 243 K CB 0.964 33.500 32.500 0.060 0.000 1.107 243 K HN 0.138 nan 8.250 nan 0.000 0.432 244 W N 1.726 123.059 121.300 0.055 0.000 2.448 244 W HA 0.474 5.135 4.660 0.001 0.000 0.339 244 W C 0.651 177.194 176.519 0.039 0.000 1.124 244 W CA -1.028 56.363 57.345 0.076 0.000 1.262 244 W CB 1.045 30.599 29.460 0.156 0.000 1.251 244 W HN 0.669 nan 8.180 nan 0.000 0.597 245 G N 0.179 109.131 108.800 0.253 0.000 2.491 245 G HA2 0.398 4.359 3.960 0.001 0.000 0.327 245 G HA3 0.398 4.359 3.960 0.001 0.000 0.327 245 G C 0.334 175.305 174.900 0.117 0.000 1.189 245 G CA -0.720 44.443 45.100 0.105 0.000 0.956 245 G HN 0.300 nan 8.290 nan 0.000 0.491 246 V N 0.395 120.305 119.914 -0.006 0.000 2.380 246 V HA -0.205 3.915 4.120 0.001 0.000 0.251 246 V C 3.066 179.267 176.094 0.178 0.000 1.063 246 V CA 2.555 64.859 62.300 0.006 0.000 1.055 246 V CB -0.417 31.319 31.823 -0.146 0.000 0.657 246 V HN 0.711 nan 8.190 nan 0.000 0.455 247 S N -0.691 115.070 115.700 0.103 0.000 2.382 247 S HA -0.213 4.257 4.470 0.001 0.000 0.228 247 S C 1.747 176.379 174.600 0.054 0.000 1.027 247 S CA 1.659 59.914 58.200 0.093 0.000 0.991 247 S CB -0.393 62.836 63.200 0.049 0.000 0.823 247 S HN 0.675 nan 8.310 nan 0.000 0.469 248 D N 0.251 120.660 120.400 0.016 0.000 2.097 248 D HA -0.077 4.563 4.640 0.001 0.000 0.197 248 D C 1.636 177.826 176.300 -0.183 0.000 0.984 248 D CA 0.945 54.828 54.000 -0.195 0.000 0.826 248 D CB -0.546 40.046 40.800 -0.346 0.000 0.973 248 D HN 0.483 nan 8.370 nan 0.000 0.460 249 F N 2.028 122.013 119.950 0.058 0.000 2.065 249 F HA -0.237 4.290 4.527 0.001 0.000 0.298 249 F C 2.315 178.282 175.800 0.279 0.000 1.112 249 F CA 1.361 59.561 58.000 0.333 0.000 1.212 249 F CB -0.403 38.900 39.000 0.504 0.000 0.975 249 F HN -0.152 nan 8.300 nan 0.000 0.476 250 I N 0.269 121.066 120.570 0.378 0.000 2.151 250 I HA -0.384 3.786 4.170 0.001 0.000 0.243 250 I C 2.607 178.804 176.117 0.133 0.000 1.080 250 I CA 1.952 63.432 61.300 0.299 0.000 1.339 250 I CB -0.622 37.561 38.000 0.304 0.000 1.039 250 I HN 0.191 nan 8.210 nan 0.000 0.409 251 K N 1.132 121.531 120.400 -0.002 0.000 2.009 251 K HA -0.224 4.097 4.320 0.001 0.000 0.210 251 K C 2.209 178.755 176.600 -0.089 0.000 1.049 251 K CA 1.755 57.988 56.287 -0.090 0.000 0.929 251 K CB -0.188 32.209 32.500 -0.171 0.000 0.714 251 K HN 0.301 nan 8.250 nan 0.000 0.440 252 A N 0.589 123.293 122.820 -0.193 0.000 1.933 252 A HA -0.171 4.150 4.320 0.001 0.000 0.218 252 A C 1.984 179.585 177.584 0.029 0.000 1.175 252 A CA 1.339 53.298 52.037 -0.130 0.000 0.628 252 A CB -0.775 18.026 19.000 -0.332 0.000 0.814 252 A HN 0.535 nan 8.150 nan 0.000 0.444 253 F N 0.718 120.554 119.950 -0.190 0.000 2.102 253 F HA -0.127 4.400 4.527 0.001 0.000 0.298 253 F C 1.947 177.845 175.800 0.163 0.000 1.105 253 F CA 1.574 59.504 58.000 -0.115 0.000 1.239 253 F CB -0.244 38.605 39.000 -0.251 0.000 0.991 253 F HN 0.183 nan 8.300 nan 0.000 0.474 254 I N 0.050 120.655 120.570 0.059 0.000 2.315 254 I HA -0.281 3.889 4.170 0.001 0.000 0.248 254 I C 2.351 178.477 176.117 0.015 0.000 1.117 254 I CA 1.202 62.515 61.300 0.022 0.000 1.404 254 I CB -0.537 37.506 38.000 0.071 0.000 1.071 254 I HN 0.095 nan 8.210 nan 0.000 0.419 255 K N 0.410 120.821 120.400 0.018 0.000 2.097 255 K HA -0.201 4.120 4.320 0.001 0.000 0.206 255 K C 2.143 178.788 176.600 0.074 0.000 1.049 255 K CA 1.491 57.778 56.287 -0.000 0.000 0.933 255 K CB -0.295 32.225 32.500 0.032 0.000 0.717 255 K HN 0.193 nan 8.250 nan 0.000 0.442 256 F N 1.731 121.647 119.950 -0.056 0.000 2.095 256 F HA -0.280 4.248 4.527 0.001 0.000 0.298 256 F C 2.342 177.990 175.800 -0.253 0.000 1.104 256 F CA 1.675 59.599 58.000 -0.128 0.000 1.232 256 F CB -0.089 38.733 39.000 -0.297 0.000 0.987 256 F HN 0.166 nan 8.300 nan 0.000 0.475 257 H N -0.532 118.550 119.070 0.020 0.000 2.428 257 H HA -0.010 4.546 4.556 0.001 0.000 0.296 257 H C 2.444 177.753 175.328 -0.033 0.000 1.062 257 H CA 1.103 57.128 56.048 -0.039 0.000 1.350 257 H CB -0.888 28.793 29.762 -0.135 0.000 1.403 257 H HN 0.469 nan 8.280 nan 0.000 0.533 258 G N 0.845 109.653 108.800 0.012 0.000 2.480 258 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 258 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 258 G C 1.476 176.330 174.900 -0.077 0.000 1.200 258 G CA 0.669 45.743 45.100 -0.044 0.000 0.782 258 G HN 0.433 nan 8.290 nan 0.000 0.554 259 H N 0.169 119.186 119.070 -0.089 0.000 2.289 259 H HA -0.105 4.451 4.556 0.001 0.000 0.294 259 H C 2.870 178.108 175.328 -0.150 0.000 1.095 259 H CA 1.629 57.594 56.048 -0.137 0.000 1.256 259 H CB -0.633 28.995 29.762 -0.224 0.000 1.359 259 H HN 0.186 nan 8.280 nan 0.000 0.487 260 V N 0.567 120.419 119.914 -0.105 0.000 2.237 260 V HA -0.286 3.835 4.120 0.001 0.000 0.245 260 V C 2.288 178.402 176.094 0.034 0.000 1.046 260 V CA 1.992 64.234 62.300 -0.098 0.000 1.007 260 V CB -0.941 30.772 31.823 -0.182 0.000 0.638 260 V HN 0.318 nan 8.190 nan 0.000 0.445 261 Y N 0.559 120.835 120.300 -0.040 0.000 2.102 261 Y HA -0.248 4.302 4.550 0.001 0.000 0.280 261 Y C 2.107 178.005 175.900 -0.003 0.000 1.178 261 Y CA 1.917 60.001 58.100 -0.026 0.000 1.146 261 Y CB -0.220 38.226 38.460 -0.024 0.000 0.968 261 Y HN 0.160 nan 8.280 nan 0.000 0.504 262 L N -0.848 120.409 121.223 0.056 0.000 2.558 262 L HA 0.051 4.392 4.340 0.001 0.000 0.225 262 L C 1.355 178.206 176.870 -0.031 0.000 1.128 262 L CA 0.765 55.593 54.840 -0.020 0.000 0.868 262 L CB -0.352 41.721 42.059 0.024 0.000 1.006 262 L HN 0.171 nan 8.230 nan 0.000 0.454 263 S N 0.818 116.507 115.700 -0.018 0.000 3.608 263 S HA -0.185 4.285 4.470 0.001 0.000 0.382 263 S C 0.063 174.666 174.600 0.005 0.000 0.945 263 S CA 0.490 58.682 58.200 -0.014 0.000 1.256 263 S CB -0.812 62.371 63.200 -0.028 0.000 0.913 263 S HN 0.372 nan 8.310 nan 0.000 0.518 264 K N 1.394 121.819 120.400 0.041 0.000 2.324 264 K HA 0.624 4.944 4.320 0.001 0.000 0.253 264 K C 0.503 177.217 176.600 0.190 0.000 0.932 264 K CA 0.106 56.436 56.287 0.072 0.000 0.799 264 K CB 1.717 34.235 32.500 0.031 0.000 1.154 264 K HN 0.820 nan 8.250 nan 0.000 0.425 265 S N 2.196 117.963 115.700 0.112 0.000 3.378 265 S HA -0.190 4.281 4.470 0.001 0.000 0.365 265 S C 0.824 175.381 174.600 -0.071 0.000 0.951 265 S CA 0.756 58.998 58.200 0.070 0.000 1.274 265 S CB -2.020 61.267 63.200 0.144 0.000 0.915 265 S HN 0.626 nan 8.310 nan 0.000 0.513 266 L N 0.612 121.790 121.223 -0.075 0.000 2.353 266 L HA -0.158 4.182 4.340 0.001 0.000 0.220 266 L C 2.902 179.670 176.870 -0.170 0.000 1.133 266 L CA 1.589 56.340 54.840 -0.148 0.000 0.798 266 L CB -0.732 41.273 42.059 -0.089 0.000 0.922 266 L HN 0.744 nan 8.230 nan 0.000 0.445 267 E N 0.744 120.869 120.200 -0.125 0.000 2.209 267 E HA -0.244 4.106 4.350 0.001 0.000 0.196 267 E C 1.495 178.019 176.600 -0.127 0.000 0.993 267 E CA 1.066 57.409 56.400 -0.095 0.000 0.819 267 E CB -0.267 29.398 29.700 -0.058 0.000 0.745 267 E HN 0.430 nan 8.360 nan 0.000 0.477 268 K N 1.006 121.266 120.400 -0.233 0.000 2.148 268 K HA 0.013 4.334 4.320 0.001 0.000 0.204 268 K C 2.488 178.970 176.600 -0.197 0.000 1.050 268 K CA 0.567 56.696 56.287 -0.263 0.000 0.942 268 K CB -0.474 31.686 32.500 -0.567 0.000 0.724 268 K HN 0.256 nan 8.250 nan 0.000 0.446 269 L N 0.743 121.816 121.223 -0.251 0.000 1.991 269 L HA -0.310 4.030 4.340 0.001 0.000 0.221 269 L C 2.688 179.573 176.870 0.024 0.000 1.079 269 L CA 1.771 56.517 54.840 -0.155 0.000 0.778 269 L CB -0.974 40.944 42.059 -0.234 0.000 0.893 269 L HN 0.199 nan 8.230 nan 0.000 0.437 270 S N -0.163 115.538 115.700 0.001 0.000 2.369 270 S HA -0.134 4.336 4.470 0.001 0.000 0.225 270 S C -0.233 174.401 174.600 0.058 0.000 1.043 270 S CA 2.223 60.445 58.200 0.037 0.000 1.074 270 S CB -0.971 62.238 63.200 0.015 0.000 0.962 270 S HN 0.202 nan 8.310 nan 0.000 0.433 271 P HA -0.004 nan 4.420 nan 0.000 0.216 271 P C 1.657 179.015 177.300 0.096 0.000 1.153 271 P CA 0.575 63.709 63.100 0.057 0.000 0.844 271 P CB -0.154 31.574 31.700 0.047 0.000 0.787 272 L N -0.153 121.149 121.223 0.131 0.000 2.042 272 L HA -0.147 4.193 4.340 0.001 0.000 0.210 272 L C 2.479 179.478 176.870 0.214 0.000 1.076 272 L CA 1.858 56.829 54.840 0.219 0.000 0.749 272 L CB -0.915 41.299 42.059 0.257 0.000 0.893 272 L HN -0.208 nan 8.230 nan 0.000 0.432 273 R N -0.612 120.013 120.500 0.208 0.000 2.082 273 R HA -0.171 4.170 4.340 0.001 0.000 0.234 273 R C 2.178 178.523 176.300 0.075 0.000 1.136 273 R CA 1.778 57.945 56.100 0.112 0.000 0.935 273 R CB -0.273 30.117 30.300 0.150 0.000 0.842 273 R HN 0.421 nan 8.270 nan 0.000 0.430 274 E N 0.619 120.863 120.200 0.073 0.000 2.097 274 E HA -0.244 4.106 4.350 0.001 0.000 0.196 274 E C 1.914 178.530 176.600 0.027 0.000 1.000 274 E CA 1.333 57.764 56.400 0.051 0.000 0.804 274 E CB -0.163 29.558 29.700 0.035 0.000 0.740 274 E HN 0.108 nan 8.360 nan 0.000 0.454 275 K N 0.975 121.378 120.400 0.006 0.000 2.097 275 K HA -0.047 4.274 4.320 0.001 0.000 0.205 275 K C 2.226 178.748 176.600 -0.131 0.000 1.050 275 K CA 0.689 56.895 56.287 -0.136 0.000 0.938 275 K CB -0.418 31.994 32.500 -0.147 0.000 0.718 275 K HN 0.055 nan 8.250 nan 0.000 0.442 276 L N 0.394 121.687 121.223 0.116 0.000 2.046 276 L HA -0.172 4.168 4.340 0.001 0.000 0.208 276 L C 2.272 179.447 176.870 0.508 0.000 1.077 276 L CA 1.488 56.551 54.840 0.372 0.000 0.747 276 L CB -0.339 41.904 42.059 0.308 0.000 0.896 276 L HN 0.298 nan 8.230 nan 0.000 0.432 277 E N -0.270 120.145 120.200 0.357 0.000 2.031 277 E HA -0.284 4.066 4.350 0.001 0.000 0.193 277 E C 2.065 178.784 176.600 0.199 0.000 0.994 277 E CA 1.376 58.001 56.400 0.374 0.000 0.800 277 E CB -0.076 29.762 29.700 0.230 0.000 0.752 277 E HN 0.439 nan 8.360 nan 0.000 0.447 278 E N 0.584 120.820 120.200 0.060 0.000 2.049 278 E HA -0.267 4.084 4.350 0.001 0.000 0.198 278 E C 2.168 178.720 176.600 -0.079 0.000 1.007 278 E CA 1.214 57.582 56.400 -0.054 0.000 0.809 278 E CB 0.134 29.762 29.700 -0.119 0.000 0.749 278 E HN 0.137 nan 8.360 nan 0.000 0.450 279 Q N -0.244 119.523 119.800 -0.055 0.000 2.124 279 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 279 Q C 2.022 178.064 176.000 0.071 0.000 0.977 279 Q CA 1.049 56.854 55.803 0.004 0.000 0.850 279 Q CB -0.565 28.215 28.738 0.071 0.000 0.901 279 Q HN 0.366 nan 8.270 nan 0.000 0.429 280 F N 2.010 121.959 119.950 -0.002 0.000 2.126 280 F HA -0.208 4.319 4.527 0.001 0.000 0.299 280 F C 2.338 177.969 175.800 -0.282 0.000 1.096 280 F CA 1.661 59.467 58.000 -0.325 0.000 1.255 280 F CB -0.117 38.533 39.000 -0.584 0.000 0.997 280 F HN -0.017 nan 8.300 nan 0.000 0.479 281 K N 0.334 120.556 120.400 -0.298 0.000 1.991 281 K HA -0.268 4.052 4.320 0.001 0.000 0.212 281 K C 2.313 178.509 176.600 -0.674 0.000 1.049 281 K CA 1.941 57.864 56.287 -0.607 0.000 0.932 281 K CB -0.531 31.640 32.500 -0.548 0.000 0.717 281 K HN 0.426 nan 8.250 nan 0.000 0.441 282 E N 0.601 120.550 120.200 -0.419 0.000 2.058 282 E HA -0.212 4.138 4.350 0.001 0.000 0.194 282 E C 2.203 178.680 176.600 -0.206 0.000 0.997 282 E CA 1.329 57.555 56.400 -0.289 0.000 0.801 282 E CB -0.072 29.511 29.700 -0.194 0.000 0.746 282 E HN 0.333 nan 8.360 nan 0.000 0.450 283 L N 0.450 121.525 121.223 -0.246 0.000 1.994 283 L HA -0.222 4.119 4.340 0.001 0.000 0.208 283 L C 2.825 179.529 176.870 -0.276 0.000 1.071 283 L CA 0.801 55.434 54.840 -0.345 0.000 0.745 283 L CB -0.535 41.180 42.059 -0.573 0.000 0.892 283 L HN 0.257 nan 8.230 nan 0.000 0.431 284 L N -0.685 120.424 121.223 -0.190 0.000 2.043 284 L HA -0.251 4.090 4.340 0.001 0.000 0.212 284 L C 2.267 179.272 176.870 0.225 0.000 1.075 284 L CA 1.915 56.759 54.840 0.006 0.000 0.752 284 L CB -0.527 41.306 42.059 -0.376 0.000 0.891 284 L HN 0.028 nan 8.230 nan 0.000 0.432 285 F N -0.497 119.348 119.950 -0.175 0.000 2.407 285 F HA -0.057 4.470 4.527 0.001 0.000 0.299 285 F C 2.380 178.131 175.800 -0.081 0.000 1.097 285 F CA 0.790 58.727 58.000 -0.105 0.000 1.422 285 F CB -0.774 38.141 39.000 -0.142 0.000 1.067 285 F HN 0.273 nan 8.300 nan 0.000 0.539 286 Q N -0.100 119.735 119.800 0.057 0.000 2.403 286 Q HA 0.013 4.354 4.340 0.001 0.000 0.203 286 Q C 0.389 176.329 176.000 -0.100 0.000 0.932 286 Q CA 0.062 55.842 55.803 -0.039 0.000 0.945 286 Q CB 0.089 28.774 28.738 -0.088 0.000 1.045 286 Q HN 0.240 nan 8.270 nan 0.000 0.511 287 K N -1.691 118.657 120.400 -0.086 0.000 3.230 287 K HA -0.253 4.068 4.320 0.001 0.000 0.285 287 K C 0.669 177.119 176.600 -0.251 0.000 1.196 287 K CA 0.330 56.476 56.287 -0.236 0.000 0.838 287 K CB -1.402 30.912 32.500 -0.310 0.000 1.262 287 K HN 0.348 nan 8.250 nan 0.000 0.492 288 A N -0.036 122.612 122.820 -0.287 0.000 2.121 288 A HA 0.078 4.398 4.320 0.001 0.000 0.218 288 A C 0.623 177.934 177.584 -0.456 0.000 1.154 288 A CA 0.868 52.654 52.037 -0.418 0.000 0.679 288 A CB -0.076 18.580 19.000 -0.572 0.000 0.795 288 A HN 0.270 nan 8.150 nan 0.000 0.458 289 F N -0.130 119.741 119.950 -0.132 0.000 2.497 289 F HA 0.444 4.971 4.527 0.001 0.000 0.331 289 F C 0.352 176.092 175.800 -0.101 0.000 1.060 289 F CA -1.061 56.876 58.000 -0.105 0.000 0.989 289 F CB 1.132 40.072 39.000 -0.100 0.000 1.245 289 F HN 0.216 nan 8.300 nan 0.000 0.486 290 N N -1.612 117.167 118.700 0.130 0.000 2.430 290 N HA 0.257 4.997 4.740 0.001 0.000 0.298 290 N C 0.354 175.887 175.510 0.038 0.000 1.130 290 N CA -0.428 52.634 53.050 0.020 0.000 0.894 290 N CB 1.413 39.878 38.487 -0.038 0.000 1.209 290 N HN 0.554 nan 8.380 nan 0.000 0.503 291 S N -0.182 115.542 115.700 0.041 0.000 2.440 291 S HA -0.345 4.125 4.470 0.001 0.000 0.240 291 S C 1.478 176.014 174.600 -0.107 0.000 1.014 291 S CA 1.259 59.467 58.200 0.013 0.000 0.980 291 S CB -0.519 62.697 63.200 0.028 0.000 0.775 291 S HN 0.739 nan 8.310 nan 0.000 0.499 292 Q N 0.805 120.500 119.800 -0.174 0.000 2.016 292 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 292 Q C 2.403 178.044 176.000 -0.597 0.000 0.978 292 Q CA 1.718 57.295 55.803 -0.377 0.000 0.833 292 Q CB -0.286 28.233 28.738 -0.365 0.000 0.895 292 Q HN 0.786 nan 8.270 nan 0.000 0.427 293 Q N 0.200 119.769 119.800 -0.386 0.000 2.124 293 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 293 Q C 2.264 178.101 176.000 -0.272 0.000 0.977 293 Q CA 1.394 57.016 55.803 -0.302 0.000 0.850 293 Q CB -0.100 28.617 28.738 -0.035 0.000 0.901 293 Q HN 0.413 nan 8.270 nan 0.000 0.429 294 L N -0.196 120.883 121.223 -0.241 0.000 2.079 294 L HA -0.195 4.146 4.340 0.001 0.000 0.210 294 L C 2.304 179.095 176.870 -0.132 0.000 1.081 294 L CA 0.811 55.525 54.840 -0.209 0.000 0.752 294 L CB -0.556 41.425 42.059 -0.130 0.000 0.896 294 L HN 0.116 nan 8.230 nan 0.000 0.433 295 V N -0.764 119.058 119.914 -0.152 0.000 2.358 295 V HA -0.285 3.836 4.120 0.001 0.000 0.246 295 V C 2.323 178.398 176.094 -0.032 0.000 1.047 295 V CA 1.723 63.971 62.300 -0.085 0.000 1.035 295 V CB -0.766 30.989 31.823 -0.114 0.000 0.658 295 V HN 0.477 nan 8.190 nan 0.000 0.452 296 H N -0.844 118.057 119.070 -0.282 0.000 2.319 296 H HA -0.151 4.406 4.556 0.001 0.000 0.299 296 H C 2.379 177.689 175.328 -0.030 0.000 1.092 296 H CA 1.425 57.304 56.048 -0.282 0.000 1.302 296 H CB -0.037 29.481 29.762 -0.407 0.000 1.373 296 H HN 0.251 nan 8.280 nan 0.000 0.497 297 V N 0.565 120.500 119.914 0.035 0.000 2.332 297 V HA -0.264 3.857 4.120 0.001 0.000 0.248 297 V C 2.329 178.503 176.094 0.132 0.000 1.055 297 V CA 2.247 64.512 62.300 -0.059 0.000 1.038 297 V CB -0.524 31.066 31.823 -0.387 0.000 0.651 297 V HN 0.549 nan 8.190 nan 0.000 0.450 298 T N -0.369 114.248 114.554 0.105 0.000 2.737 298 T HA -0.137 4.213 4.350 0.001 0.000 0.265 298 T C 1.934 176.728 174.700 0.156 0.000 1.038 298 T CA 1.553 63.766 62.100 0.188 0.000 1.144 298 T CB -0.203 68.765 68.868 0.167 0.000 0.866 298 T HN 0.281 nan 8.240 nan 0.000 0.434 299 V N 1.396 121.367 119.914 0.095 0.000 2.407 299 V HA -0.103 4.017 4.120 0.001 0.000 0.248 299 V C 2.367 178.501 176.094 0.066 0.000 1.055 299 V CA 1.320 63.602 62.300 -0.030 0.000 1.049 299 V CB -0.610 31.146 31.823 -0.111 0.000 0.662 299 V HN 0.480 nan 8.190 nan 0.000 0.455 300 I N 0.348 120.991 120.570 0.122 0.000 2.286 300 I HA -0.250 3.921 4.170 0.001 0.000 0.248 300 I C 2.193 178.363 176.117 0.088 0.000 1.115 300 I CA 1.820 63.150 61.300 0.050 0.000 1.392 300 I CB -0.536 37.445 38.000 -0.033 0.000 1.065 300 I HN 0.415 nan 8.210 nan 0.000 0.418 301 N N 0.613 119.433 118.700 0.201 0.000 2.188 301 N HA -0.115 4.625 4.740 0.001 0.000 0.184 301 N C 1.941 177.397 175.510 -0.091 0.000 1.018 301 N CA 0.867 54.044 53.050 0.212 0.000 0.858 301 N CB 0.012 38.656 38.487 0.261 0.000 0.989 301 N HN 0.259 nan 8.380 nan 0.000 0.426 302 L N -0.077 121.058 121.223 -0.146 0.000 2.056 302 L HA -0.145 4.195 4.340 0.001 0.000 0.207 302 L C 2.153 178.959 176.870 -0.106 0.000 1.078 302 L CA 0.885 55.492 54.840 -0.388 0.000 0.749 302 L CB -0.471 41.520 42.059 -0.113 0.000 0.901 302 L HN 0.211 nan 8.230 nan 0.000 0.433 303 F N 0.990 121.018 119.950 0.129 0.000 2.043 303 F HA -0.301 4.226 4.527 0.001 0.000 0.297 303 F C 2.795 178.655 175.800 0.100 0.000 1.121 303 F CA 1.758 59.851 58.000 0.156 0.000 1.199 303 F CB -0.358 38.728 39.000 0.145 0.000 0.968 303 F HN 0.035 nan 8.300 nan 0.000 0.478 304 Q N 0.620 120.437 119.800 0.029 0.000 2.061 304 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 304 Q C 2.523 178.508 176.000 -0.025 0.000 0.984 304 Q CA 2.171 57.983 55.803 0.016 0.000 0.846 304 Q CB -0.894 28.015 28.738 0.284 0.000 0.902 304 Q HN 0.525 nan 8.270 nan 0.000 0.421 305 L N -0.415 120.734 121.223 -0.124 0.000 1.971 305 L HA -0.288 4.052 4.340 0.001 0.000 0.215 305 L C 2.575 179.482 176.870 0.060 0.000 1.072 305 L CA 1.958 56.729 54.840 -0.114 0.000 0.758 305 L CB -0.666 41.018 42.059 -0.625 0.000 0.889 305 L HN 0.331 nan 8.230 nan 0.000 0.433 306 H N -1.303 117.641 119.070 -0.210 0.000 2.352 306 H HA -0.257 4.300 4.556 0.001 0.000 0.299 306 H C 2.387 177.603 175.328 -0.185 0.000 1.097 306 H CA 2.094 58.027 56.048 -0.190 0.000 1.311 306 H CB -0.106 29.460 29.762 -0.326 0.000 1.377 306 H HN 0.331 nan 8.280 nan 0.000 0.504 307 H N 0.135 119.026 119.070 -0.298 0.000 2.422 307 H HA -0.101 4.455 4.556 0.001 0.000 0.298 307 H C 1.985 177.188 175.328 -0.208 0.000 1.098 307 H CA 1.633 57.482 56.048 -0.331 0.000 1.315 307 H CB -0.026 29.426 29.762 -0.516 0.000 1.382 307 H HN 0.430 nan 8.280 nan 0.000 0.523 308 L N -0.162 121.010 121.223 -0.086 0.000 2.162 308 L HA 0.081 4.421 4.340 0.001 0.000 0.205 308 L C 0.557 177.312 176.870 -0.192 0.000 1.086 308 L CA 0.671 55.465 54.840 -0.077 0.000 0.778 308 L CB 0.201 42.352 42.059 0.154 0.000 0.928 308 L HN 0.052 nan 8.230 nan 0.000 0.446 309 R N 0.728 121.103 120.500 -0.207 0.000 2.569 309 R HA 0.151 4.492 4.340 0.001 0.000 0.293 309 R C -1.185 174.925 176.300 -0.317 0.000 1.186 309 R CA -0.452 55.465 56.100 -0.306 0.000 0.956 309 R CB 1.369 31.294 30.300 -0.625 0.000 1.196 309 R HN 0.072 nan 8.270 nan 0.000 0.444 310 D N 2.030 122.169 120.400 -0.435 0.000 2.376 310 D HA 0.015 4.656 4.640 0.001 0.000 0.268 310 D C 0.855 177.008 176.300 -0.246 0.000 1.252 310 D CA -0.387 53.233 54.000 -0.634 0.000 1.041 310 D CB 0.455 40.894 40.800 -0.602 0.000 1.109 310 D HN 0.250 nan 8.370 nan 0.000 0.552 311 F N -0.112 119.835 119.950 -0.006 0.000 2.408 311 F HA -0.157 4.370 4.527 0.001 0.000 0.300 311 F C 2.798 178.614 175.800 0.027 0.000 1.090 311 F CA 1.122 59.153 58.000 0.051 0.000 1.427 311 F CB -0.329 38.719 39.000 0.080 0.000 1.070 311 F HN 0.285 nan 8.300 nan 0.000 0.549 312 S N -0.318 115.487 115.700 0.175 0.000 2.382 312 S HA -0.268 4.202 4.470 0.001 0.000 0.228 312 S C 1.922 176.646 174.600 0.208 0.000 1.027 312 S CA 1.335 59.643 58.200 0.180 0.000 0.991 312 S CB -0.870 62.431 63.200 0.168 0.000 0.823 312 S HN 0.554 nan 8.310 nan 0.000 0.469 313 N N 1.052 119.854 118.700 0.170 0.000 2.443 313 N HA -0.095 4.645 4.740 0.001 0.000 0.184 313 N C 0.953 176.485 175.510 0.037 0.000 1.037 313 N CA 0.895 54.022 53.050 0.128 0.000 0.896 313 N CB -0.033 38.475 38.487 0.034 0.000 0.959 313 N HN 0.474 nan 8.380 nan 0.000 0.442 314 E N -0.568 119.670 120.200 0.062 0.000 2.489 314 E HA 0.031 4.381 4.350 0.001 0.000 0.193 314 E C 0.685 177.313 176.600 0.047 0.000 1.057 314 E CA 0.321 56.757 56.400 0.060 0.000 0.866 314 E CB 0.685 30.449 29.700 0.106 0.000 0.916 314 E HN 0.369 nan 8.360 nan 0.000 0.500 315 T N 0.572 115.145 114.554 0.032 0.000 3.478 315 T HA 0.023 4.374 4.350 0.001 0.000 0.223 315 T C 0.525 175.189 174.700 -0.060 0.000 0.958 315 T CA -0.147 61.955 62.100 0.004 0.000 1.324 315 T CB 0.345 69.228 68.868 0.024 0.000 1.262 315 T HN 0.171 nan 8.240 nan 0.000 0.379 316 E N 2.063 122.192 120.200 -0.118 0.000 2.231 316 E HA 0.391 4.741 4.350 0.001 0.000 0.277 316 E C -1.138 175.127 176.600 -0.557 0.000 0.999 316 E CA -0.615 55.623 56.400 -0.270 0.000 0.827 316 E CB 0.972 30.532 29.700 -0.233 0.000 1.101 316 E HN 0.363 nan 8.360 nan 0.000 0.393 317 Q N 2.944 122.474 119.800 -0.450 0.000 2.361 317 Q HA 0.197 4.537 4.340 0.001 0.000 0.250 317 Q C -0.413 175.290 176.000 -0.495 0.000 1.023 317 Q CA -0.222 55.342 55.803 -0.399 0.000 0.915 317 Q CB 0.554 29.176 28.738 -0.194 0.000 1.238 317 Q HN 0.452 nan 8.270 nan 0.000 0.451 318 H N 0.897 119.838 119.070 -0.215 0.000 2.508 318 H HA 0.342 4.898 4.556 0.001 0.000 0.344 318 H C -0.103 174.869 175.328 -0.592 0.000 1.192 318 H CA -0.525 55.266 56.048 -0.429 0.000 1.290 318 H CB 1.356 30.760 29.762 -0.597 0.000 1.571 318 H HN 0.386 nan 8.280 nan 0.000 0.555 319 T N 2.063 116.347 114.554 -0.450 0.000 2.837 319 T HA 0.373 4.723 4.350 0.001 0.000 0.285 319 T C -0.569 173.789 174.700 -0.569 0.000 0.984 319 T CA -0.392 61.485 62.100 -0.371 0.000 1.049 319 T CB 0.134 68.889 68.868 -0.187 0.000 0.947 319 T HN 0.305 nan 8.240 nan 0.000 0.472 320 Y N 0.745 121.015 120.300 -0.050 0.000 2.446 320 Y HA 0.497 5.047 4.550 0.001 0.000 0.345 320 Y C 0.803 176.677 175.900 -0.042 0.000 0.984 320 Y CA -0.944 57.119 58.100 -0.062 0.000 1.058 320 Y CB 1.735 40.143 38.460 -0.087 0.000 1.220 320 Y HN 0.608 nan 8.280 nan 0.000 0.455 321 S N 1.127 116.896 115.700 0.115 0.000 2.587 321 S HA -0.033 4.438 4.470 0.001 0.000 0.260 321 S C 1.106 175.745 174.600 0.065 0.000 1.353 321 S CA -0.036 58.199 58.200 0.057 0.000 0.995 321 S CB 0.916 64.136 63.200 0.033 0.000 0.912 321 S HN 0.902 nan 8.310 nan 0.000 0.568 322 Q N 0.362 120.185 119.800 0.038 0.000 2.079 322 Q HA -0.112 4.229 4.340 0.001 0.000 0.200 322 Q C 1.283 177.300 176.000 0.029 0.000 0.974 322 Q CA 1.695 57.519 55.803 0.034 0.000 0.840 322 Q CB -0.139 28.611 28.738 0.021 0.000 0.898 322 Q HN 0.687 nan 8.270 nan 0.000 0.430 323 D N 0.462 120.873 120.400 0.019 0.000 2.178 323 D HA -0.126 4.514 4.640 0.001 0.000 0.202 323 D C 1.453 177.762 176.300 0.014 0.000 0.974 323 D CA 0.966 54.971 54.000 0.008 0.000 0.841 323 D CB 0.046 40.846 40.800 -0.001 0.000 0.953 323 D HN 0.317 nan 8.370 nan 0.000 0.478 324 E N 0.306 120.526 120.200 0.034 0.000 2.150 324 E HA -0.123 4.228 4.350 0.001 0.000 0.193 324 E C 2.110 178.727 176.600 0.029 0.000 0.985 324 E CA 0.544 56.967 56.400 0.038 0.000 0.814 324 E CB 0.043 29.797 29.700 0.090 0.000 0.752 324 E HN 0.356 nan 8.360 nan 0.000 0.466 325 Q N 0.357 120.183 119.800 0.042 0.000 2.079 325 Q HA -0.144 4.197 4.340 0.001 0.000 0.200 325 Q C 2.396 178.443 176.000 0.078 0.000 0.974 325 Q CA 0.749 56.585 55.803 0.055 0.000 0.840 325 Q CB -0.191 28.585 28.738 0.063 0.000 0.898 325 Q HN 0.223 nan 8.270 nan 0.000 0.430 326 L N 0.669 121.916 121.223 0.040 0.000 2.042 326 L HA -0.189 4.152 4.340 0.001 0.000 0.210 326 L C 2.208 179.075 176.870 -0.004 0.000 1.076 326 L CA 1.730 56.579 54.840 0.014 0.000 0.749 326 L CB -0.738 41.314 42.059 -0.011 0.000 0.893 326 L HN 0.212 nan 8.230 nan 0.000 0.432 327 C N -1.448 117.849 119.300 -0.005 0.000 2.462 327 C HA -0.173 4.287 4.460 0.001 0.000 0.278 327 C C 2.530 177.531 174.990 0.020 0.000 1.253 327 C CA 0.600 59.595 59.018 -0.038 0.000 1.713 327 C CB -1.493 26.231 27.740 -0.025 0.000 2.049 327 C HN 0.832 nan 8.230 nan 0.000 0.477 328 W N 1.714 122.949 121.300 -0.108 0.000 2.358 328 W HA -0.176 4.484 4.660 0.001 0.000 0.303 328 W C 2.075 178.565 176.519 -0.049 0.000 1.208 328 W CA 2.098 59.380 57.345 -0.105 0.000 1.274 328 W CB -0.828 28.513 29.460 -0.198 0.000 1.138 328 W HN 0.279 nan 8.180 nan 0.000 0.515 329 T N 1.433 116.017 114.554 0.049 0.000 2.652 329 T HA -0.248 4.103 4.350 0.001 0.000 0.267 329 T C 1.824 176.486 174.700 -0.063 0.000 1.039 329 T CA 1.943 64.035 62.100 -0.013 0.000 1.153 329 T CB -0.355 68.547 68.868 0.056 0.000 0.863 329 T HN 0.133 nan 8.240 nan 0.000 0.428 330 Q N 0.310 120.096 119.800 -0.023 0.000 2.079 330 Q HA 0.030 4.370 4.340 0.001 0.000 0.200 330 Q C 2.436 178.507 176.000 0.117 0.000 0.974 330 Q CA 0.911 56.740 55.803 0.045 0.000 0.840 330 Q CB -0.728 28.025 28.738 0.025 0.000 0.898 330 Q HN 0.388 nan 8.270 nan 0.000 0.430 331 L N 0.504 121.753 121.223 0.044 0.000 2.027 331 L HA -0.084 4.256 4.340 0.001 0.000 0.206 331 L C 2.168 178.931 176.870 -0.178 0.000 1.074 331 L CA 1.367 56.231 54.840 0.039 0.000 0.745 331 L CB -0.731 41.304 42.059 -0.040 0.000 0.898 331 L HN 0.166 nan 8.230 nan 0.000 0.433 332 L N -0.808 120.170 121.223 -0.409 0.000 2.083 332 L HA -0.201 4.140 4.340 0.001 0.000 0.209 332 L C 2.505 179.282 176.870 -0.155 0.000 1.083 332 L CA 1.404 55.978 54.840 -0.444 0.000 0.752 332 L CB -0.471 41.106 42.059 -0.804 0.000 0.899 332 L HN 0.459 nan 8.230 nan 0.000 0.433 333 A N -0.172 122.563 122.820 -0.142 0.000 1.858 333 A HA -0.267 4.053 4.320 0.001 0.000 0.216 333 A C 2.132 179.647 177.584 -0.114 0.000 1.190 333 A CA 1.770 53.758 52.037 -0.082 0.000 0.617 333 A CB -0.852 18.121 19.000 -0.044 0.000 0.827 333 A HN 0.415 nan 8.150 nan 0.000 0.443 334 L N -1.479 119.628 121.223 -0.194 0.000 2.081 334 L HA -0.162 4.178 4.340 0.001 0.000 0.212 334 L C 2.222 178.773 176.870 -0.531 0.000 1.080 334 L CA 2.396 56.962 54.840 -0.456 0.000 0.754 334 L CB -0.592 41.019 42.059 -0.747 0.000 0.893 334 L HN 0.456 nan 8.230 nan 0.000 0.433 335 F N -0.825 118.868 119.950 -0.429 0.000 2.146 335 F HA -0.229 4.298 4.527 0.001 0.000 0.298 335 F C 2.175 177.909 175.800 -0.110 0.000 1.096 335 F CA 1.642 59.474 58.000 -0.280 0.000 1.275 335 F CB -0.186 38.685 39.000 -0.215 0.000 1.008 335 F HN 0.047 nan 8.300 nan 0.000 0.480 336 M N -0.297 119.193 119.600 -0.184 0.000 2.175 336 M HA -0.129 4.351 4.480 0.001 0.000 0.264 336 M C 2.369 178.561 176.300 -0.181 0.000 1.063 336 M CA 1.197 56.347 55.300 -0.249 0.000 1.119 336 M CB -1.581 30.948 32.600 -0.119 0.000 1.377 336 M HN 0.110 nan 8.290 nan 0.000 0.415 337 S N 0.465 116.124 115.700 -0.069 0.000 2.356 337 S HA -0.084 4.386 4.470 0.001 0.000 0.223 337 S C 1.738 176.471 174.600 0.222 0.000 1.032 337 S CA 1.023 59.281 58.200 0.097 0.000 1.005 337 S CB -0.276 63.007 63.200 0.139 0.000 0.867 337 S HN 0.250 nan 8.310 nan 0.000 0.449 338 F N 1.533 121.390 119.950 -0.155 0.000 2.095 338 F HA -0.054 4.473 4.527 0.001 0.000 0.298 338 F C 2.154 177.894 175.800 -0.100 0.000 1.104 338 F CA 0.290 58.174 58.000 -0.193 0.000 1.232 338 F CB -1.322 37.372 39.000 -0.509 0.000 0.987 338 F HN 0.169 nan 8.300 nan 0.000 0.475 339 L N 0.564 121.729 121.223 -0.098 0.000 2.043 339 L HA -0.092 4.248 4.340 0.001 0.000 0.212 339 L C 2.389 179.245 176.870 -0.024 0.000 1.075 339 L CA 2.327 57.068 54.840 -0.165 0.000 0.752 339 L CB -1.541 40.278 42.059 -0.401 0.000 0.891 339 L HN 0.132 nan 8.230 nan 0.000 0.432 340 G N -0.336 108.478 108.800 0.022 0.000 2.418 340 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 340 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 340 G C 1.657 176.674 174.900 0.196 0.000 1.158 340 G CA 1.076 46.315 45.100 0.231 0.000 0.771 340 G HN 0.495 nan 8.290 nan 0.000 0.545 341 I N 0.362 121.023 120.570 0.151 0.000 2.286 341 I HA -0.125 4.045 4.170 0.001 0.000 0.248 341 I C 2.634 178.779 176.117 0.047 0.000 1.115 341 I CA 0.623 61.965 61.300 0.070 0.000 1.392 341 I CB -0.143 37.956 38.000 0.165 0.000 1.065 341 I HN 0.128 nan 8.210 nan 0.000 0.418 342 L N -0.423 120.842 121.223 0.071 0.000 2.141 342 L HA -0.219 4.122 4.340 0.001 0.000 0.209 342 L C 2.481 179.304 176.870 -0.077 0.000 1.094 342 L CA 0.941 55.767 54.840 -0.024 0.000 0.763 342 L CB -0.491 41.579 42.059 0.018 0.000 0.908 342 L HN 0.379 nan 8.230 nan 0.000 0.437 343 C N -0.649 118.641 119.300 -0.017 0.000 2.481 343 C HA -0.069 4.391 4.460 0.001 0.000 0.275 343 C C 2.707 177.647 174.990 -0.083 0.000 1.419 343 C CA 0.407 59.428 59.018 0.005 0.000 1.773 343 C CB -0.605 27.217 27.740 0.136 0.000 1.862 343 C HN 0.399 nan 8.230 nan 0.000 0.530 344 K N -0.492 119.760 120.400 -0.246 0.000 2.128 344 K HA -0.085 4.235 4.320 0.001 0.000 0.202 344 K C 2.147 178.502 176.600 -0.409 0.000 1.050 344 K CA 0.953 56.972 56.287 -0.446 0.000 0.966 344 K CB -0.386 31.663 32.500 -0.752 0.000 0.759 344 K HN 0.514 nan 8.250 nan 0.000 0.454 345 C N 1.919 120.936 119.300 -0.471 0.000 2.369 345 C HA -0.147 4.314 4.460 0.001 0.000 0.273 345 C C -0.736 173.985 174.990 -0.448 0.000 1.172 345 C CA 1.380 59.947 59.018 -0.751 0.000 1.791 345 C CB -1.029 26.349 27.740 -0.603 0.000 2.086 345 C HN 0.286 nan 8.230 nan 0.000 0.459 346 P HA -0.099 nan 4.420 nan 0.000 0.208 346 P C 1.548 178.936 177.300 0.147 0.000 1.189 346 P CA 1.526 64.630 63.100 0.006 0.000 0.931 346 P CB -0.317 31.369 31.700 -0.024 0.000 0.783 347 L N -1.347 119.880 121.223 0.006 0.000 2.642 347 L HA -0.124 4.216 4.340 0.001 0.000 0.236 347 L C 1.080 177.849 176.870 -0.168 0.000 1.169 347 L CA 0.775 55.580 54.840 -0.058 0.000 0.851 347 L CB -0.919 41.110 42.059 -0.050 0.000 0.968 347 L HN 0.163 nan 8.230 nan 0.000 0.453 348 Q N 1.551 121.213 119.800 -0.231 0.000 2.390 348 Q HA 0.185 4.526 4.340 0.001 0.000 0.249 348 Q C -0.365 175.487 176.000 -0.247 0.000 0.996 348 Q CA -0.399 55.248 55.803 -0.260 0.000 0.899 348 Q CB 0.893 29.400 28.738 -0.385 0.000 1.216 348 Q HN 0.303 nan 8.270 nan 0.000 0.465 352 Q N 1.613 121.456 119.800 0.072 0.000 2.534 352 Q HA -0.127 4.213 4.340 0.001 0.000 0.181 352 Q C -0.762 175.297 176.000 0.097 0.000 0.808 352 Q CA 1.232 57.070 55.803 0.059 0.000 1.155 352 Q CB -1.571 27.180 28.738 0.022 0.000 1.141 352 Q HN 0.580 nan 8.270 nan 0.000 0.625 353 E N 0.092 120.387 120.200 0.159 0.000 2.504 353 E HA -0.301 4.050 4.350 0.001 0.000 0.183 353 E C 0.029 176.712 176.600 0.138 0.000 1.857 353 E CA 0.704 57.210 56.400 0.176 0.000 0.670 353 E CB -0.835 28.923 29.700 0.095 0.000 1.024 353 E HN 0.531 nan 8.360 nan 0.000 0.322 354 E N -1.356 118.957 120.200 0.189 0.000 4.198 354 E HA -0.217 4.134 4.350 0.001 0.000 0.408 354 E C 0.812 177.257 176.600 -0.257 0.000 0.536 354 E CA 0.984 57.339 56.400 -0.075 0.000 1.476 354 E CB -1.441 28.250 29.700 -0.014 0.000 1.926 354 E HN 0.389 nan 8.360 nan 0.000 0.365 355 S N -0.346 115.305 115.700 -0.082 0.000 2.575 355 S HA 0.020 4.491 4.470 0.001 0.000 0.215 355 S C 1.494 176.091 174.600 -0.005 0.000 0.966 355 S CA 0.538 58.699 58.200 -0.064 0.000 0.911 355 S CB -0.125 63.065 63.200 -0.018 0.000 0.780 355 S HN 0.457 nan 8.310 nan 0.000 0.514 356 Y N 2.160 122.495 120.300 0.059 0.000 2.352 356 Y HA 0.154 4.705 4.550 0.001 0.000 0.292 356 Y C 0.837 176.808 175.900 0.120 0.000 1.136 356 Y CA 0.380 58.527 58.100 0.078 0.000 1.227 356 Y CB -0.917 37.543 38.460 -0.000 0.000 0.991 356 Y HN 0.387 nan 8.280 nan 0.000 0.545 357 N N 0.142 118.532 118.700 -0.517 0.000 2.681 357 N HA 0.460 5.200 4.740 0.001 0.000 0.311 357 N C 1.016 176.443 175.510 -0.140 0.000 1.303 357 N CA -0.039 52.804 53.050 -0.344 0.000 0.926 357 N CB 0.573 38.785 38.487 -0.458 0.000 1.136 357 N HN 0.454 nan 8.380 nan 0.000 0.592 358 A N -2.296 120.444 122.820 -0.133 0.000 3.930 358 A HA -0.294 4.027 4.320 0.001 0.000 0.267 358 A C 1.123 178.723 177.584 0.027 0.000 0.971 358 A CA 1.704 53.706 52.037 -0.058 0.000 1.197 358 A CB -3.040 15.921 19.000 -0.065 0.000 1.073 358 A HN 0.926 nan 8.150 nan 0.000 0.871 359 Y N -2.344 117.899 120.300 -0.094 0.000 2.314 359 Y HA 0.308 4.858 4.550 0.001 0.000 0.294 359 Y C -0.284 175.576 175.900 -0.067 0.000 1.119 359 Y CA 0.434 58.488 58.100 -0.078 0.000 1.179 359 Y CB -1.354 37.062 38.460 -0.074 0.000 1.025 359 Y HN 0.349 nan 8.280 nan 0.000 0.541 360 P HA -0.046 nan 4.420 nan 0.000 0.221 360 P C 1.550 178.763 177.300 -0.145 0.000 1.155 360 P CA 1.194 64.077 63.100 -0.360 0.000 0.812 360 P CB 0.035 31.431 31.700 -0.508 0.000 0.801 361 L N -0.327 120.833 121.223 -0.105 0.000 2.021 361 L HA -0.181 4.160 4.340 0.001 0.000 0.215 361 L C -0.374 176.507 176.870 0.018 0.000 1.074 361 L CA 2.368 57.198 54.840 -0.017 0.000 0.760 361 L CB -2.447 39.608 42.059 -0.006 0.000 0.889 361 L HN 0.084 nan 8.230 nan 0.000 0.433 362 P HA -0.113 nan 4.420 nan 0.000 0.217 362 P C 1.425 178.759 177.300 0.056 0.000 1.151 362 P CA 1.611 64.735 63.100 0.039 0.000 0.828 362 P CB 0.023 31.736 31.700 0.023 0.000 0.788 363 A N -0.759 122.077 122.820 0.027 0.000 1.968 363 A HA -0.096 4.225 4.320 0.001 0.000 0.217 363 A C 2.234 179.866 177.584 0.079 0.000 1.169 363 A CA 1.361 53.426 52.037 0.047 0.000 0.638 363 A CB -1.555 17.450 19.000 0.009 0.000 0.812 363 A HN 0.011 nan 8.150 nan 0.000 0.446 364 V N 0.571 120.521 119.914 0.060 0.000 2.323 364 V HA -0.206 3.914 4.120 0.001 0.000 0.244 364 V C 2.622 178.798 176.094 0.137 0.000 1.041 364 V CA 2.097 64.447 62.300 0.083 0.000 1.025 364 V CB -0.566 31.298 31.823 0.067 0.000 0.656 364 V HN 0.583 nan 8.190 nan 0.000 0.451 365 K N 0.610 121.088 120.400 0.130 0.000 2.009 365 K HA -0.181 4.140 4.320 0.001 0.000 0.210 365 K C 2.107 178.820 176.600 0.187 0.000 1.049 365 K CA 1.980 58.358 56.287 0.152 0.000 0.929 365 K CB -0.600 31.978 32.500 0.130 0.000 0.714 365 K HN 0.344 nan 8.250 nan 0.000 0.440 366 V N 1.360 121.389 119.914 0.191 0.000 2.287 366 V HA -0.245 3.876 4.120 0.001 0.000 0.248 366 V C 2.518 178.798 176.094 0.310 0.000 1.053 366 V CA 2.151 64.590 62.300 0.231 0.000 1.027 366 V CB -0.593 31.349 31.823 0.200 0.000 0.646 366 V HN 0.337 nan 8.190 nan 0.000 0.447 367 S N -0.380 115.517 115.700 0.329 0.000 2.353 367 S HA -0.220 4.251 4.470 0.001 0.000 0.222 367 S C 1.991 176.905 174.600 0.523 0.000 1.035 367 S CA 1.790 60.297 58.200 0.511 0.000 1.025 367 S CB -0.364 62.982 63.200 0.244 0.000 0.902 367 S HN 0.393 nan 8.310 nan 0.000 0.440 368 M N 1.605 121.414 119.600 0.350 0.000 2.159 368 M HA -0.068 4.413 4.480 0.001 0.000 0.263 368 M C 1.545 177.999 176.300 0.257 0.000 1.063 368 M CA 1.161 56.657 55.300 0.326 0.000 1.110 368 M CB -1.568 31.193 32.600 0.269 0.000 1.374 368 M HN 0.180 nan 8.290 nan 0.000 0.411 369 D N -0.883 119.652 120.400 0.225 0.000 2.158 369 D HA -0.216 4.424 4.640 0.001 0.000 0.197 369 D C 1.752 178.152 176.300 0.167 0.000 0.995 369 D CA 1.060 55.144 54.000 0.139 0.000 0.846 369 D CB -0.278 40.605 40.800 0.139 0.000 0.941 369 D HN 0.544 nan 8.370 nan 0.000 0.456 370 W N 1.382 122.742 121.300 0.100 0.000 2.409 370 W HA 0.007 4.667 4.660 0.001 0.000 0.299 370 W C 2.090 178.647 176.519 0.064 0.000 1.203 370 W CA 0.651 58.038 57.345 0.069 0.000 1.298 370 W CB -0.517 28.973 29.460 0.050 0.000 1.127 370 W HN -0.128 nan 8.180 nan 0.000 0.528 371 L N 0.652 121.937 121.223 0.104 0.000 2.079 371 L HA -0.239 4.101 4.340 0.001 0.000 0.210 371 L C 2.717 179.547 176.870 -0.066 0.000 1.081 371 L CA 1.856 56.617 54.840 -0.133 0.000 0.752 371 L CB -0.903 41.227 42.059 0.120 0.000 0.896 371 L HN -0.003 nan 8.230 nan 0.000 0.433 372 R N 0.543 120.975 120.500 -0.114 0.000 2.193 372 R HA -0.140 4.200 4.340 0.001 0.000 0.229 372 R C 1.889 177.885 176.300 -0.507 0.000 1.110 372 R CA 1.069 56.804 56.100 -0.607 0.000 0.988 372 R CB -0.011 29.831 30.300 -0.764 0.000 0.871 372 R HN 0.395 nan 8.270 nan 0.000 0.458 373 L N -0.102 120.961 121.223 -0.266 0.000 2.585 373 L HA 0.184 4.525 4.340 0.001 0.000 0.226 373 L C 0.482 177.308 176.870 -0.073 0.000 1.113 373 L CA -0.024 54.756 54.840 -0.101 0.000 0.876 373 L CB 0.302 42.418 42.059 0.095 0.000 1.072 373 L HN -0.052 nan 8.230 nan 0.000 0.468 374 R N 0.067 120.403 120.500 -0.274 0.000 2.724 374 R HA 0.259 4.599 4.340 0.001 0.000 0.284 374 R C -1.995 174.280 176.300 -0.043 0.000 1.481 374 R CA -1.766 54.168 56.100 -0.276 0.000 1.652 374 R CB 0.441 30.276 30.300 -0.775 0.000 1.175 374 R HN -0.070 nan 8.270 nan 0.000 0.613 375 P HA -0.170 nan 4.420 nan 0.000 0.215 375 P C 1.017 178.473 177.300 0.261 0.000 1.163 375 P CA 1.403 64.701 63.100 0.330 0.000 0.894 375 P CB 0.207 32.059 31.700 0.253 0.000 0.791 376 R N -0.795 119.787 120.500 0.136 0.000 2.303 376 R HA -0.058 4.283 4.340 0.001 0.000 0.225 376 R C 1.869 178.239 176.300 0.118 0.000 1.114 376 R CA 0.675 56.843 56.100 0.113 0.000 1.007 376 R CB -0.858 29.481 30.300 0.066 0.000 0.861 376 R HN 0.175 nan 8.270 nan 0.000 0.471 377 V N -0.002 119.947 119.914 0.058 0.000 2.667 377 V HA -0.169 3.951 4.120 0.001 0.000 0.252 377 V C 1.503 177.611 176.094 0.024 0.000 1.065 377 V CA 1.442 63.761 62.300 0.031 0.000 1.083 377 V CB -0.406 31.314 31.823 -0.172 0.000 0.692 377 V HN 0.212 nan 8.190 nan 0.000 0.468 378 F N 0.029 120.049 119.950 0.116 0.000 2.546 378 F HA -0.098 4.430 4.527 0.001 0.000 0.298 378 F C 2.317 178.179 175.800 0.104 0.000 1.120 378 F CA 0.979 59.053 58.000 0.124 0.000 1.456 378 F CB -0.141 38.907 39.000 0.080 0.000 1.088 378 F HN 0.216 nan 8.300 nan 0.000 0.572 379 Q N -0.460 119.484 119.800 0.240 0.000 2.408 379 Q HA -0.004 4.336 4.340 0.001 0.000 0.205 379 Q C 0.352 176.443 176.000 0.151 0.000 0.919 379 Q CA 0.008 55.911 55.803 0.168 0.000 0.932 379 Q CB 0.199 29.013 28.738 0.127 0.000 1.058 379 Q HN 0.167 nan 8.270 nan 0.000 0.517 380 E N 0.777 121.078 120.200 0.169 0.000 2.465 380 E HA -0.032 4.318 4.350 0.001 0.000 0.260 380 E C 0.663 177.345 176.600 0.138 0.000 0.980 380 E CA 0.210 56.715 56.400 0.175 0.000 0.927 380 E CB 1.037 30.868 29.700 0.219 0.000 0.934 380 E HN 0.243 nan 8.360 nan 0.000 0.459 381 A N 4.037 126.932 122.820 0.125 0.000 1.873 381 A HA -0.230 4.090 4.320 0.001 0.000 0.218 381 A C 2.092 179.723 177.584 0.078 0.000 1.193 381 A CA 2.376 54.470 52.037 0.096 0.000 0.629 381 A CB -0.975 18.078 19.000 0.088 0.000 0.826 381 A HN 0.550 nan 8.150 nan 0.000 0.447 382 V N -2.524 117.432 119.914 0.070 0.000 3.026 382 V HA -0.107 4.013 4.120 0.001 0.000 0.265 382 V C 1.967 178.072 176.094 0.019 0.000 1.121 382 V CA 1.948 64.268 62.300 0.032 0.000 1.142 382 V CB -0.982 30.839 31.823 -0.002 0.000 0.730 382 V HN 0.224 nan 8.190 nan 0.000 0.503 383 V N 0.018 119.966 119.914 0.056 0.000 2.575 383 V HA -0.034 4.086 4.120 0.001 0.000 0.242 383 V C 2.480 178.632 176.094 0.098 0.000 1.045 383 V CA 1.689 64.032 62.300 0.072 0.000 1.065 383 V CB -0.488 31.407 31.823 0.120 0.000 0.717 383 V HN 0.422 nan 8.190 nan 0.000 0.467 384 D N 0.331 120.801 120.400 0.116 0.000 2.123 384 D HA -0.215 4.426 4.640 0.001 0.000 0.196 384 D C 2.138 178.475 176.300 0.062 0.000 0.992 384 D CA 1.497 55.567 54.000 0.116 0.000 0.833 384 D CB -0.071 40.791 40.800 0.103 0.000 0.954 384 D HN 0.530 nan 8.370 nan 0.000 0.455 385 E N 0.200 120.424 120.200 0.041 0.000 2.171 385 E HA -0.177 4.173 4.350 0.001 0.000 0.197 385 E C 0.917 177.488 176.600 -0.049 0.000 0.997 385 E CA 0.911 57.329 56.400 0.030 0.000 0.810 385 E CB 0.168 29.892 29.700 0.039 0.000 0.738 385 E HN 0.173 nan 8.360 nan 0.000 0.467 386 R N 0.183 120.559 120.500 -0.208 0.000 2.609 386 R HA 0.061 4.402 4.340 0.001 0.000 0.326 386 R C 1.037 176.879 176.300 -0.763 0.000 1.090 386 R CA -0.009 55.671 56.100 -0.699 0.000 1.072 386 R CB 0.301 30.230 30.300 -0.618 0.000 1.330 386 R HN 0.267 nan 8.270 nan 0.000 0.572 387 Q N 0.361 119.986 119.800 -0.292 0.000 2.491 387 Q HA -0.130 4.210 4.340 0.001 0.000 0.214 387 Q C 0.493 176.367 176.000 -0.209 0.000 0.970 387 Q CA 0.868 56.615 55.803 -0.092 0.000 0.960 387 Q CB -0.309 28.599 28.738 0.283 0.000 0.996 387 Q HN 0.585 nan 8.270 nan 0.000 0.524 388 Y N -0.768 119.368 120.300 -0.274 0.000 2.544 388 Y HA 0.140 4.690 4.550 0.001 0.000 0.286 388 Y C 1.733 177.145 175.900 -0.813 0.000 1.141 388 Y CA -0.247 57.597 58.100 -0.426 0.000 1.299 388 Y CB -0.684 37.543 38.460 -0.388 0.000 1.030 388 Y HN 0.246 nan 8.280 nan 0.000 0.543 389 I N -3.380 116.668 120.570 -0.870 0.000 2.617 389 I HA -0.033 4.137 4.170 0.001 0.000 0.256 389 I C 1.648 177.458 176.117 -0.512 0.000 1.167 389 I CA 0.706 61.555 61.300 -0.751 0.000 1.469 389 I CB -0.671 36.909 38.000 -0.700 0.000 1.098 389 I HN 0.105 nan 8.210 nan 0.000 0.436 390 W N 1.752 122.974 121.300 -0.129 0.000 2.342 390 W HA -0.050 4.610 4.660 0.001 0.000 0.297 390 W C -0.324 176.166 176.519 -0.049 0.000 1.213 390 W CA 0.447 57.766 57.345 -0.044 0.000 1.251 390 W CB -1.988 27.454 29.460 -0.029 0.000 1.136 390 W HN 0.180 nan 8.180 nan 0.000 0.526 391 P HA -0.203 nan 4.420 nan 0.000 0.216 391 P C 1.302 178.668 177.300 0.110 0.000 1.150 391 P CA 1.805 64.914 63.100 0.016 0.000 0.837 391 P CB -0.273 31.353 31.700 -0.124 0.000 0.786 392 W N -0.919 120.420 121.300 0.065 0.000 2.388 392 W HA -0.013 4.647 4.660 0.001 0.000 0.294 392 W C 2.030 178.550 176.519 0.001 0.000 1.212 392 W CA 0.353 57.712 57.345 0.023 0.000 1.271 392 W CB -1.632 27.837 29.460 0.015 0.000 1.126 392 W HN -0.021 nan 8.180 nan 0.000 0.535 393 L N 0.420 121.797 121.223 0.257 0.000 2.056 393 L HA -0.087 4.253 4.340 0.001 0.000 0.207 393 L C 2.134 179.018 176.870 0.023 0.000 1.078 393 L CA 1.731 56.660 54.840 0.149 0.000 0.749 393 L CB -1.091 41.127 42.059 0.265 0.000 0.901 393 L HN -0.162 nan 8.230 nan 0.000 0.433 394 I N -0.374 120.238 120.570 0.070 0.000 2.163 394 I HA -0.333 3.838 4.170 0.001 0.000 0.243 394 I C 2.491 178.604 176.117 -0.005 0.000 1.085 394 I CA 1.704 63.015 61.300 0.018 0.000 1.347 394 I CB -0.380 37.686 38.000 0.110 0.000 1.044 394 I HN 0.494 nan 8.210 nan 0.000 0.408 395 S N 0.490 116.209 115.700 0.032 0.000 2.474 395 S HA -0.122 4.348 4.470 0.001 0.000 0.235 395 S C 1.816 176.352 174.600 -0.107 0.000 0.997 395 S CA 0.615 58.815 58.200 0.000 0.000 0.949 395 S CB -0.408 62.827 63.200 0.058 0.000 0.766 395 S HN 0.400 nan 8.310 nan 0.000 0.517 396 L N 0.842 121.971 121.223 -0.156 0.000 2.209 396 L HA 0.371 4.711 4.340 0.001 0.000 0.207 396 L C 2.005 178.416 176.870 -0.765 0.000 1.094 396 L CA 1.191 55.825 54.840 -0.343 0.000 0.790 396 L CB -0.519 41.414 42.059 -0.210 0.000 0.932 396 L HN 0.298 nan 8.230 nan 0.000 0.447 397 L N -0.285 120.609 121.223 -0.548 0.000 2.072 397 L HA -0.086 4.254 4.340 0.001 0.000 0.205 397 L C 1.811 178.487 176.870 -0.323 0.000 1.079 397 L CA 0.787 55.272 54.840 -0.592 0.000 0.752 397 L CB -0.684 40.950 42.059 -0.707 0.000 0.906 397 L HN 0.330 nan 8.230 nan 0.000 0.436 398 N N -0.601 118.018 118.700 -0.136 0.000 2.550 398 N HA -0.115 4.625 4.740 0.001 0.000 0.186 398 N C 1.901 177.272 175.510 -0.231 0.000 1.110 398 N CA 0.792 53.813 53.050 -0.048 0.000 0.912 398 N CB 0.093 38.594 38.487 0.023 0.000 0.968 398 N HN 0.147 nan 8.380 nan 0.000 0.448 399 S N -0.270 115.208 115.700 -0.369 0.000 2.481 399 S HA 0.080 4.550 4.470 0.001 0.000 0.231 399 S C 1.318 175.800 174.600 -0.197 0.000 0.996 399 S CA 0.431 58.437 58.200 -0.324 0.000 0.942 399 S CB -0.247 62.764 63.200 -0.315 0.000 0.768 399 S HN 0.334 nan 8.310 nan 0.000 0.520 400 F N 0.390 120.245 119.950 -0.159 0.000 2.776 400 F HA 0.244 4.771 4.527 0.001 0.000 0.300 400 F C 0.539 176.319 175.800 -0.034 0.000 1.116 400 F CA -0.158 57.798 58.000 -0.074 0.000 1.375 400 F CB 0.028 39.031 39.000 0.004 0.000 1.109 400 F HN 0.238 nan 8.300 nan 0.000 0.585 401 H N -1.388 117.761 119.070 0.131 0.000 2.748 401 H HA -0.096 4.461 4.556 0.001 0.000 0.322 401 H C -2.420 172.733 175.328 -0.292 0.000 1.208 401 H CA -0.378 55.647 56.048 -0.038 0.000 1.151 401 H CB -2.148 27.623 29.762 0.015 0.000 1.505 401 H HN 0.184 nan 8.280 nan 0.000 0.429 402 P HA 0.003 nan 4.420 nan 0.000 0.264 402 P C 0.751 177.850 177.300 -0.336 0.000 1.179 402 P CA 0.951 64.017 63.100 -0.057 0.000 0.763 402 P CB 0.707 32.510 31.700 0.172 0.000 0.806 403 H N 0.096 119.244 119.070 0.131 0.000 3.766 403 H HA 0.292 4.848 4.556 0.001 0.000 0.346 403 H C -0.452 174.919 175.328 0.071 0.000 1.689 403 H CA -0.549 55.548 56.048 0.081 0.000 1.205 403 H CB -0.001 29.807 29.762 0.077 0.000 1.575 403 H HN 0.244 nan 8.280 nan 0.000 0.704 404 E N 2.002 122.326 120.200 0.207 0.000 1.985 404 E HA 0.043 4.393 4.350 0.001 0.000 0.268 404 E C 0.150 176.828 176.600 0.129 0.000 1.219 404 E CA 0.286 56.762 56.400 0.125 0.000 0.942 404 E CB 0.147 29.899 29.700 0.085 0.000 1.045 404 E HN 0.346 nan 8.360 nan 0.000 0.413 405 E N 2.663 122.943 120.200 0.134 0.000 2.372 405 E HA -0.005 4.345 4.350 0.001 0.000 0.201 405 E C -0.019 176.651 176.600 0.116 0.000 0.938 405 E CA 0.154 56.633 56.400 0.132 0.000 0.944 405 E CB 0.233 30.030 29.700 0.161 0.000 0.937 405 E HN 0.489 nan 8.360 nan 0.000 0.495 406 D N 2.017 122.486 120.400 0.115 0.000 2.489 406 D HA -0.003 4.637 4.640 0.001 0.000 0.264 406 D C 0.799 177.149 176.300 0.082 0.000 1.294 406 D CA 0.252 54.315 54.000 0.105 0.000 0.938 406 D CB -0.570 40.288 40.800 0.097 0.000 0.985 406 D HN 0.123 nan 8.370 nan 0.000 0.492 410 I N 3.749 124.347 120.570 0.046 0.000 2.926 410 I HA 0.295 4.466 4.170 0.001 0.000 0.295 410 I C 1.388 177.519 176.117 0.023 0.000 1.463 410 I CA 0.049 61.372 61.300 0.038 0.000 0.892 410 I CB 1.302 39.323 38.000 0.036 0.000 1.874 410 I HN 0.357 nan 8.210 nan 0.000 0.620 411 S N 2.848 118.563 115.700 0.025 0.000 2.443 411 S HA -0.389 4.082 4.470 0.001 0.000 0.246 411 S C 1.910 176.509 174.600 -0.002 0.000 1.058 411 S CA 1.566 59.776 58.200 0.016 0.000 1.028 411 S CB -0.289 62.922 63.200 0.019 0.000 0.821 411 S HN 1.171 nan 8.310 nan 0.000 0.484 412 A N -0.414 122.395 122.820 -0.018 0.000 4.284 412 A HA -0.224 4.097 4.320 0.001 0.000 0.264 412 A C 1.140 178.667 177.584 -0.095 0.000 0.856 412 A CA 1.879 53.883 52.037 -0.056 0.000 1.165 412 A CB -2.974 16.007 19.000 -0.032 0.000 1.059 412 A HN 1.603 nan 8.150 nan 0.000 0.803 413 T N 1.619 116.144 114.554 -0.048 0.000 2.747 413 T HA 0.533 4.884 4.350 0.001 0.000 0.301 413 T C -2.412 172.276 174.700 -0.019 0.000 0.952 413 T CA -1.576 60.508 62.100 -0.026 0.000 0.983 413 T CB 0.385 69.262 68.868 0.015 0.000 0.930 413 T HN 0.259 nan 8.240 nan 0.000 0.494 414 P HA 0.154 nan 4.420 nan 0.000 0.266 414 P C -0.224 177.170 177.300 0.157 0.000 1.195 414 P CA -0.195 62.911 63.100 0.010 0.000 0.768 414 P CB 0.472 32.142 31.700 -0.050 0.000 0.838 415 L N 5.729 127.036 121.223 0.140 0.000 2.454 415 L HA 0.239 4.580 4.340 0.001 0.000 0.256 415 L C -1.157 175.816 176.870 0.171 0.000 1.136 415 L CA -1.842 53.071 54.840 0.121 0.000 0.804 415 L CB 0.340 42.459 42.059 0.100 0.000 1.181 415 L HN 0.308 nan 8.230 nan 0.000 0.469 416 P HA -0.230 nan 4.420 nan 0.000 0.212 416 P C 1.085 178.482 177.300 0.162 0.000 1.178 416 P CA 1.252 64.414 63.100 0.104 0.000 0.915 416 P CB -0.029 31.695 31.700 0.040 0.000 0.788 417 E N 0.441 120.720 120.200 0.132 0.000 2.396 417 E HA -0.226 4.124 4.350 0.001 0.000 0.200 417 E C 1.334 178.058 176.600 0.205 0.000 1.023 417 E CA 1.357 57.846 56.400 0.148 0.000 0.857 417 E CB -0.811 28.963 29.700 0.123 0.000 0.775 417 E HN 0.439 nan 8.360 nan 0.000 0.525 418 E N -0.316 120.021 120.200 0.228 0.000 2.102 418 E HA 0.017 4.368 4.350 0.001 0.000 0.190 418 E C 1.756 178.415 176.600 0.099 0.000 0.971 418 E CA 0.359 56.881 56.400 0.204 0.000 0.821 418 E CB -0.243 29.599 29.700 0.236 0.000 0.777 418 E HN 0.162 nan 8.360 nan 0.000 0.460 419 F N 2.231 122.252 119.950 0.118 0.000 2.102 419 F HA -0.174 4.353 4.527 0.001 0.000 0.298 419 F C 2.464 178.284 175.800 0.033 0.000 1.105 419 F CA 1.265 59.347 58.000 0.136 0.000 1.239 419 F CB 0.146 39.222 39.000 0.128 0.000 0.991 419 F HN -0.074 nan 8.300 nan 0.000 0.474 420 E N 0.141 120.505 120.200 0.273 0.000 2.118 420 E HA -0.162 4.189 4.350 0.001 0.000 0.195 420 E C 1.903 178.601 176.600 0.165 0.000 0.992 420 E CA 1.131 57.665 56.400 0.223 0.000 0.804 420 E CB -0.355 29.469 29.700 0.206 0.000 0.741 420 E HN 0.390 nan 8.360 nan 0.000 0.458 421 L N 0.890 122.170 121.223 0.095 0.000 2.685 421 L HA 0.144 4.484 4.340 0.001 0.000 0.233 421 L C 0.562 177.470 176.870 0.063 0.000 1.173 421 L CA -0.238 54.665 54.840 0.105 0.000 0.961 421 L CB 0.048 42.260 42.059 0.254 0.000 1.217 421 L HN -0.134 nan 8.230 nan 0.000 0.478 422 Q N 0.573 120.246 119.800 -0.212 0.000 2.304 422 Q HA 0.123 4.464 4.340 0.001 0.000 0.301 422 Q C 1.327 177.336 176.000 0.015 0.000 1.063 422 Q CA 1.114 56.704 55.803 -0.354 0.000 0.947 422 Q CB 0.523 28.912 28.738 -0.583 0.000 1.201 422 Q HN 0.451 nan 8.270 nan 0.000 0.389 423 G N 2.509 111.383 108.800 0.123 0.000 2.225 423 G HA2 -0.324 3.636 3.960 0.001 0.000 0.254 423 G HA3 -0.324 3.636 3.960 0.001 0.000 0.254 423 G C -0.186 174.840 174.900 0.210 0.000 0.988 423 G CA -0.104 45.098 45.100 0.170 0.000 0.625 423 G HN 0.610 nan 8.290 nan 0.000 0.527 424 F N 3.270 123.290 119.950 0.117 0.000 2.506 424 F HA 0.478 5.005 4.527 0.001 0.000 0.369 424 F C 1.807 177.637 175.800 0.050 0.000 1.114 424 F CA -0.261 57.770 58.000 0.051 0.000 1.121 424 F CB -0.025 39.026 39.000 0.085 0.000 1.104 424 F HN 0.114 nan 8.300 nan 0.000 0.564 425 L N 5.383 126.373 121.223 -0.388 0.000 1.976 425 L HA -0.359 3.982 4.340 0.001 0.000 0.223 425 L C 2.608 179.276 176.870 -0.337 0.000 1.081 425 L CA 1.862 56.489 54.840 -0.355 0.000 0.784 425 L CB -1.231 40.557 42.059 -0.451 0.000 0.896 425 L HN 0.758 nan 8.230 nan 0.000 0.438 426 A N -0.455 121.861 122.820 -0.841 0.000 1.997 426 A HA -0.189 4.131 4.320 0.001 0.000 0.221 426 A C 2.104 179.798 177.584 0.183 0.000 1.172 426 A CA 1.994 53.791 52.037 -0.400 0.000 0.645 426 A CB -0.658 18.015 19.000 -0.545 0.000 0.813 426 A HN 0.500 nan 8.150 nan 0.000 0.454 427 L N -2.380 118.904 121.223 0.101 0.000 2.664 427 L HA 0.134 4.474 4.340 0.001 0.000 0.233 427 L C 2.323 178.983 176.870 -0.349 0.000 1.113 427 L CA -0.209 54.649 54.840 0.030 0.000 0.896 427 L CB -0.253 41.896 42.059 0.150 0.000 1.163 427 L HN 0.251 nan 8.230 nan 0.000 0.497 428 R N 1.218 121.650 120.500 -0.114 0.000 2.159 428 R HA -0.225 4.115 4.340 0.001 0.000 0.249 428 R C -0.364 175.830 176.300 -0.175 0.000 1.136 428 R CA 2.282 58.340 56.100 -0.069 0.000 0.951 428 R CB -1.665 28.646 30.300 0.019 0.000 0.876 428 R HN 0.275 nan 8.270 nan 0.000 0.440 429 P HA -0.139 nan 4.420 nan 0.000 0.217 429 P C 1.285 178.496 177.300 -0.148 0.000 1.148 429 P CA 1.902 64.912 63.100 -0.149 0.000 0.828 429 P CB -0.120 31.465 31.700 -0.192 0.000 0.783 430 S N -1.900 113.624 115.700 -0.292 0.000 2.469 430 S HA -0.115 4.355 4.470 0.001 0.000 0.238 430 S C 1.571 176.135 174.600 -0.060 0.000 0.998 430 S CA 0.959 59.014 58.200 -0.241 0.000 0.957 430 S CB -1.673 61.337 63.200 -0.316 0.000 0.764 430 S HN 0.201 nan 8.310 nan 0.000 0.514 431 F N 1.139 121.176 119.950 0.146 0.000 2.714 431 F HA 0.334 4.861 4.527 0.001 0.000 0.294 431 F C 2.026 177.941 175.800 0.192 0.000 1.120 431 F CA -0.713 57.425 58.000 0.230 0.000 1.398 431 F CB -0.045 39.146 39.000 0.319 0.000 1.120 431 F HN 0.002 nan 8.300 nan 0.000 0.589 432 R N 1.265 121.918 120.500 0.254 0.000 2.437 432 R HA -0.105 4.236 4.340 0.001 0.000 0.210 432 R C 0.415 176.796 176.300 0.135 0.000 1.240 432 R CA 0.363 56.565 56.100 0.169 0.000 1.210 432 R CB -0.671 29.678 30.300 0.082 0.000 0.843 432 R HN 0.354 nan 8.270 nan 0.000 0.485 433 N N -0.488 118.300 118.700 0.147 0.000 2.297 433 N HA 0.097 4.837 4.740 0.001 0.000 0.247 433 N C 0.097 175.630 175.510 0.039 0.000 1.138 433 N CA 0.040 53.139 53.050 0.083 0.000 0.813 433 N CB 0.462 38.987 38.487 0.064 0.000 1.496 433 N HN -0.002 nan 8.380 nan 0.000 0.480 434 L N 1.780 122.998 121.223 -0.009 0.000 2.483 434 L HA 0.138 4.478 4.340 0.001 0.000 0.276 434 L C 0.357 177.036 176.870 -0.317 0.000 1.213 434 L CA 0.280 54.969 54.840 -0.251 0.000 0.843 434 L CB 0.310 42.061 42.059 -0.513 0.000 1.107 434 L HN -0.015 nan 8.230 nan 0.000 0.487 435 D N 1.732 121.957 120.400 -0.293 0.000 2.443 435 D HA 0.190 4.830 4.640 0.001 0.000 0.221 435 D C 0.334 176.500 176.300 -0.224 0.000 1.097 435 D CA -0.353 53.560 54.000 -0.146 0.000 0.865 435 D CB 0.845 41.621 40.800 -0.040 0.000 1.034 435 D HN 0.294 nan 8.370 nan 0.000 0.511 436 F N 1.331 121.221 119.950 -0.100 0.000 2.802 436 F HA -0.068 4.459 4.527 0.001 0.000 0.300 436 F C 2.361 178.203 175.800 0.071 0.000 1.168 436 F CA -0.124 57.739 58.000 -0.227 0.000 1.433 436 F CB -0.270 38.338 39.000 -0.654 0.000 1.115 436 F HN 0.256 nan 8.300 nan 0.000 0.582 437 S N 0.538 116.353 115.700 0.193 0.000 2.404 437 S HA -0.082 4.388 4.470 0.001 0.000 0.191 437 S C 0.823 175.518 174.600 0.158 0.000 1.254 437 S CA 0.131 58.428 58.200 0.162 0.000 1.821 437 S CB -0.636 62.619 63.200 0.092 0.000 0.822 437 S HN 0.160 nan 8.310 nan 0.000 0.370 438 K N 1.590 122.026 120.400 0.060 0.000 2.401 438 K HA 0.435 4.756 4.320 0.001 0.000 0.278 438 K C 0.509 177.088 176.600 -0.035 0.000 1.018 438 K CA 0.533 56.805 56.287 -0.025 0.000 0.981 438 K CB 0.677 33.133 32.500 -0.073 0.000 0.933 438 K HN 0.788 nan 8.250 nan 0.000 0.477 439 G N 2.139 110.853 108.800 -0.143 0.000 4.616 439 G HA2 0.011 3.971 3.960 0.001 0.000 0.214 439 G HA3 0.011 3.971 3.960 0.001 0.000 0.214 439 G C -0.552 174.258 174.900 -0.149 0.000 0.653 439 G CA -0.481 44.553 45.100 -0.110 0.000 0.816 439 G HN 0.734 nan 8.290 nan 0.000 0.601 448 E N 1.298 121.471 120.200 -0.046 0.000 2.011 448 E HA -0.008 4.342 4.350 0.001 0.000 0.191 448 E C 2.016 178.592 176.600 -0.040 0.000 0.979 448 E CA 0.968 57.343 56.400 -0.042 0.000 0.822 448 E CB -0.642 29.033 29.700 -0.041 0.000 0.782 448 E HN 0.151 nan 8.360 nan 0.000 0.459 449 G N 0.892 109.670 108.800 -0.037 0.000 2.550 449 G HA2 -0.339 3.622 3.960 0.001 0.000 0.222 449 G HA3 -0.339 3.622 3.960 0.001 0.000 0.222 449 G C 1.547 176.429 174.900 -0.030 0.000 1.113 449 G CA 1.280 46.360 45.100 -0.033 0.000 0.748 449 G HN 0.320 nan 8.290 nan 0.000 0.585 450 Q N -0.764 119.021 119.800 -0.025 0.000 2.435 450 Q HA 0.056 4.397 4.340 0.001 0.000 0.207 450 Q C 2.417 178.409 176.000 -0.013 0.000 0.956 450 Q CA 0.678 56.473 55.803 -0.014 0.000 0.917 450 Q CB 0.133 28.865 28.738 -0.010 0.000 0.997 450 Q HN 0.606 nan 8.270 nan 0.000 0.497 451 Q N -0.704 119.082 119.800 -0.024 0.000 2.471 451 Q HA 0.132 4.473 4.340 0.001 0.000 0.241 451 Q C 1.824 177.799 176.000 -0.042 0.000 0.886 451 Q CA -0.125 55.666 55.803 -0.021 0.000 0.953 451 Q CB 0.430 29.158 28.738 -0.017 0.000 1.108 451 Q HN 0.203 nan 8.270 nan 0.000 0.575 452 R N 0.982 121.445 120.500 -0.062 0.000 2.075 452 R HA -0.003 4.338 4.340 0.001 0.000 0.232 452 R C 2.122 178.335 176.300 -0.146 0.000 1.126 452 R CA 1.059 57.098 56.100 -0.102 0.000 0.963 452 R CB -0.051 30.188 30.300 -0.102 0.000 0.858 452 R HN 0.095 nan 8.270 nan 0.000 0.435 453 R N 0.180 120.615 120.500 -0.107 0.000 2.189 453 R HA 0.033 4.374 4.340 0.001 0.000 0.218 453 R C 2.118 178.368 176.300 -0.083 0.000 1.074 453 R CA 0.777 56.811 56.100 -0.110 0.000 0.991 453 R CB -0.036 30.231 30.300 -0.054 0.000 0.883 453 R HN 0.264 nan 8.270 nan 0.000 0.457 454 I N 0.194 120.732 120.570 -0.053 0.000 2.339 454 I HA -0.188 3.982 4.170 0.001 0.000 0.245 454 I C 2.670 178.773 176.117 -0.024 0.000 1.096 454 I CA 0.783 62.072 61.300 -0.019 0.000 1.408 454 I CB -0.184 37.818 38.000 0.003 0.000 1.092 454 I HN 0.093 nan 8.210 nan 0.000 0.423 455 R N 1.277 121.752 120.500 -0.042 0.000 2.105 455 R HA -0.233 4.108 4.340 0.001 0.000 0.239 455 R C 2.169 178.429 176.300 -0.067 0.000 1.135 455 R CA 1.719 57.802 56.100 -0.029 0.000 0.967 455 R CB -0.193 30.087 30.300 -0.034 0.000 0.861 455 R HN 0.410 nan 8.270 nan 0.000 0.442 456 Q N 0.073 119.743 119.800 -0.216 0.000 2.096 456 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 456 Q C 2.281 178.245 176.000 -0.060 0.000 0.982 456 Q CA 2.033 57.593 55.803 -0.404 0.000 0.850 456 Q CB -0.086 28.176 28.738 -0.792 0.000 0.901 456 Q HN 0.583 nan 8.270 nan 0.000 0.422 457 Q N 0.013 119.801 119.800 -0.019 0.000 2.050 457 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 457 Q C 2.174 178.234 176.000 0.100 0.000 0.980 457 Q CA 0.767 56.612 55.803 0.070 0.000 0.840 457 Q CB -0.065 28.707 28.738 0.058 0.000 0.898 457 Q HN 0.220 nan 8.270 nan 0.000 0.424 458 R N 0.656 121.204 120.500 0.079 0.000 2.103 458 R HA -0.137 4.204 4.340 0.001 0.000 0.242 458 R C 2.267 178.641 176.300 0.123 0.000 1.142 458 R CA 1.202 57.361 56.100 0.098 0.000 0.960 458 R CB -0.770 29.584 30.300 0.090 0.000 0.858 458 R HN 0.336 nan 8.270 nan 0.000 0.439 459 L N 0.226 121.533 121.223 0.139 0.000 2.056 459 L HA -0.134 4.206 4.340 0.001 0.000 0.207 459 L C 2.332 179.287 176.870 0.141 0.000 1.078 459 L CA 0.695 55.635 54.840 0.166 0.000 0.749 459 L CB -0.436 41.783 42.059 0.266 0.000 0.901 459 L HN 0.050 nan 8.230 nan 0.000 0.433 460 I N -0.320 120.370 120.570 0.200 0.000 2.264 460 I HA -0.290 3.880 4.170 0.001 0.000 0.248 460 I C 2.822 179.091 176.117 0.253 0.000 1.111 460 I CA 1.518 62.960 61.300 0.237 0.000 1.382 460 I CB -1.339 36.852 38.000 0.319 0.000 1.060 460 I HN 0.268 nan 8.210 nan 0.000 0.418 461 S N 0.983 116.804 115.700 0.202 0.000 2.355 461 S HA -0.099 4.372 4.470 0.001 0.000 0.222 461 S C 2.123 176.855 174.600 0.220 0.000 1.031 461 S CA 0.987 59.307 58.200 0.200 0.000 0.993 461 S CB -0.193 63.099 63.200 0.154 0.000 0.859 461 S HN 0.381 nan 8.310 nan 0.000 0.453 462 I N 1.435 122.114 120.570 0.182 0.000 2.286 462 I HA -0.079 4.091 4.170 0.001 0.000 0.248 462 I C 2.703 178.953 176.117 0.222 0.000 1.115 462 I CA 1.104 62.528 61.300 0.206 0.000 1.392 462 I CB -0.863 37.232 38.000 0.158 0.000 1.065 462 I HN 0.471 nan 8.210 nan 0.000 0.418 463 G N 0.698 109.560 108.800 0.103 0.000 2.432 463 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 463 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 463 G C 1.783 176.851 174.900 0.279 0.000 1.135 463 G CA 0.434 45.536 45.100 0.004 0.000 0.767 463 G HN 0.117 nan 8.290 nan 0.000 0.550 464 K N 0.077 120.692 120.400 0.359 0.000 2.025 464 K HA -0.095 4.225 4.320 0.001 0.000 0.207 464 K C 2.038 178.740 176.600 0.171 0.000 1.049 464 K CA 0.882 57.340 56.287 0.284 0.000 0.933 464 K CB -0.563 32.083 32.500 0.244 0.000 0.714 464 K HN 0.469 nan 8.250 nan 0.000 0.438 465 W N 1.368 122.700 121.300 0.054 0.000 2.363 465 W HA -0.164 4.497 4.660 0.001 0.000 0.296 465 W C 1.640 178.123 176.519 -0.060 0.000 1.212 465 W CA 0.978 58.327 57.345 0.007 0.000 1.260 465 W CB -0.003 29.473 29.460 0.026 0.000 1.131 465 W HN -0.053 nan 8.180 nan 0.000 0.530 466 I N 0.838 121.465 120.570 0.094 0.000 2.163 466 I HA -0.250 3.920 4.170 0.001 0.000 0.240 466 I C 2.567 178.471 176.117 -0.355 0.000 1.081 466 I CA 1.767 62.943 61.300 -0.206 0.000 1.353 466 I CB -1.983 35.923 38.000 -0.157 0.000 1.054 466 I HN 0.098 nan 8.210 nan 0.000 0.407 467 A N 0.509 123.229 122.820 -0.167 0.000 1.986 467 A HA -0.221 4.099 4.320 0.001 0.000 0.220 467 A C 1.783 179.233 177.584 -0.223 0.000 1.171 467 A CA 2.048 53.999 52.037 -0.143 0.000 0.640 467 A CB -0.550 18.451 19.000 0.002 0.000 0.811 467 A HN 0.440 nan 8.150 nan 0.000 0.451 468 D N -1.071 119.154 120.400 -0.291 0.000 2.350 468 D HA 0.026 4.667 4.640 0.001 0.000 0.213 468 D C 0.982 176.998 176.300 -0.473 0.000 1.031 468 D CA 0.340 54.146 54.000 -0.324 0.000 0.861 468 D CB -0.057 40.578 40.800 -0.275 0.000 0.926 468 D HN 0.511 nan 8.370 nan 0.000 0.520 469 N N -0.030 118.258 118.700 -0.686 0.000 2.239 469 N HA 0.023 4.763 4.740 0.001 0.000 0.208 469 N C -0.085 175.071 175.510 -0.590 0.000 1.200 469 N CA 0.134 52.730 53.050 -0.757 0.000 0.895 469 N CB 1.206 38.851 38.487 -1.403 0.000 1.085 469 N HN -0.007 nan 8.380 nan 0.000 0.500 470 Q N 0.314 119.764 119.800 -0.583 0.000 3.394 470 Q HA 0.291 4.631 4.340 0.001 0.000 0.285 470 Q C -2.210 173.560 176.000 -0.383 0.000 0.866 470 Q CA -1.296 54.198 55.803 -0.515 0.000 0.844 470 Q CB 1.782 30.040 28.738 -0.800 0.000 1.472 470 Q HN 0.077 nan 8.270 nan 0.000 0.401 471 P HA -0.120 nan 4.420 nan 0.000 0.219 471 P C 1.039 178.244 177.300 -0.158 0.000 1.146 471 P CA 1.190 64.172 63.100 -0.197 0.000 0.808 471 P CB 0.324 31.930 31.700 -0.157 0.000 0.779 472 R N -1.085 119.322 120.500 -0.156 0.000 2.148 472 R HA 0.019 4.360 4.340 0.001 0.000 0.223 472 R C 2.068 178.302 176.300 -0.109 0.000 1.088 472 R CA 0.896 56.933 56.100 -0.105 0.000 0.985 472 R CB -0.589 29.664 30.300 -0.077 0.000 0.880 472 R HN 0.296 nan 8.270 nan 0.000 0.451 473 L N -0.092 121.009 121.223 -0.205 0.000 2.130 473 L HA 0.198 4.538 4.340 0.001 0.000 0.200 473 L C 1.046 177.800 176.870 -0.193 0.000 1.075 473 L CA 0.751 55.438 54.840 -0.254 0.000 0.768 473 L CB 0.032 41.711 42.059 -0.633 0.000 0.933 473 L HN -0.001 nan 8.230 nan 0.000 0.451 474 I N 0.068 120.503 120.570 -0.224 0.000 2.730 474 I HA 0.276 4.446 4.170 0.001 0.000 0.298 474 I C -1.206 174.873 176.117 -0.063 0.000 1.089 474 I CA -0.763 60.478 61.300 -0.098 0.000 1.041 474 I CB 2.219 40.167 38.000 -0.087 0.000 1.235 474 I HN 0.101 nan 8.210 nan 0.000 0.423 475 Q N 3.908 123.713 119.800 0.009 0.000 2.359 475 Q HA 0.419 4.759 4.340 0.001 0.000 0.274 475 Q C -1.365 174.642 176.000 0.012 0.000 1.074 475 Q CA -0.701 55.095 55.803 -0.012 0.000 0.810 475 Q CB 2.491 31.209 28.738 -0.033 0.000 1.342 475 Q HN 0.690 nan 8.270 nan 0.000 0.427 476 C N 2.182 121.447 119.300 -0.058 0.000 2.291 476 C HA 0.370 4.830 4.460 0.001 0.000 0.322 476 C C -0.216 174.659 174.990 -0.192 0.000 1.205 476 C CA -0.199 58.689 59.018 -0.217 0.000 1.495 476 C CB -0.264 27.300 27.740 -0.293 0.000 2.127 476 C HN 0.822 nan 8.230 nan 0.000 0.452 477 E N 4.293 124.387 120.200 -0.177 0.000 2.003 477 E HA 0.102 4.452 4.350 0.001 0.000 0.279 477 E C -0.292 176.226 176.600 -0.137 0.000 1.132 477 E CA 0.062 56.389 56.400 -0.121 0.000 0.888 477 E CB 0.344 29.996 29.700 -0.080 0.000 1.056 477 E HN 0.614 nan 8.360 nan 0.000 0.399 478 N N 4.283 122.916 118.700 -0.112 0.000 2.482 478 N HA 0.092 4.832 4.740 0.001 0.000 0.242 478 N C -0.768 174.712 175.510 -0.050 0.000 1.100 478 N CA 0.197 53.193 53.050 -0.090 0.000 0.946 478 N CB 0.649 39.091 38.487 -0.074 0.000 1.227 478 N HN 0.439 nan 8.380 nan 0.000 0.508 479 E N 0.212 120.389 120.200 -0.038 0.000 2.234 479 E HA 0.275 4.625 4.350 0.001 0.000 0.266 479 E C 0.053 176.655 176.600 0.003 0.000 0.877 479 E CA -0.904 55.486 56.400 -0.017 0.000 0.758 479 E CB 2.358 32.048 29.700 -0.018 0.000 1.170 479 E HN 0.012 nan 8.360 nan 0.000 0.415 480 V N 2.670 122.588 119.914 0.007 0.000 4.935 480 V HA -0.322 3.798 4.120 0.001 0.000 0.273 480 V C 1.198 177.311 176.094 0.033 0.000 0.517 480 V CA 1.402 63.713 62.300 0.017 0.000 0.745 480 V CB -1.952 29.882 31.823 0.020 0.000 0.647 480 V HN 1.221 nan 8.190 nan 0.000 1.220 481 G N -0.782 108.037 108.800 0.031 0.000 2.175 481 G HA2 -0.342 3.619 3.960 0.001 0.000 0.265 481 G HA3 -0.342 3.619 3.960 0.001 0.000 0.265 481 G C 0.114 175.079 174.900 0.109 0.000 0.979 481 G CA 0.957 46.089 45.100 0.054 0.000 0.663 481 G HN 0.708 nan 8.290 nan 0.000 0.533 482 K N 0.063 120.519 120.400 0.094 0.000 2.206 482 K HA 0.605 4.925 4.320 0.001 0.000 0.264 482 K C 0.274 176.877 176.600 0.004 0.000 0.967 482 K CA -0.652 55.707 56.287 0.120 0.000 0.844 482 K CB 1.305 33.877 32.500 0.120 0.000 1.099 482 K HN 0.162 nan 8.250 nan 0.000 0.441 483 L N 4.361 125.552 121.223 -0.053 0.000 2.295 483 L HA 0.456 4.796 4.340 0.001 0.000 0.285 483 L C -0.646 176.075 176.870 -0.248 0.000 1.035 483 L CA -1.075 53.646 54.840 -0.199 0.000 0.806 483 L CB 0.872 42.772 42.059 -0.264 0.000 1.214 483 L HN 0.346 nan 8.230 nan 0.000 0.426 484 L N 3.695 124.734 121.223 -0.306 0.000 2.372 484 L HA 0.546 4.887 4.340 0.001 0.000 0.274 484 L C -0.985 175.706 176.870 -0.299 0.000 0.988 484 L CA 0.056 54.775 54.840 -0.202 0.000 0.833 484 L CB 1.272 43.283 42.059 -0.081 0.000 1.236 484 L HN 0.192 nan 8.230 nan 0.000 0.410 485 F N 6.141 126.086 119.950 -0.007 0.000 2.384 485 F HA 0.664 5.191 4.527 0.001 0.000 0.338 485 F C 0.611 176.409 175.800 -0.004 0.000 1.103 485 F CA -0.212 57.784 58.000 -0.006 0.000 1.157 485 F CB 1.099 40.096 39.000 -0.004 0.000 1.167 485 F HN 0.473 nan 8.300 nan 0.000 0.529 486 I N -1.061 119.610 120.570 0.167 0.000 3.195 486 I HA 0.818 4.988 4.170 0.001 0.000 0.313 486 I C -1.069 175.098 176.117 0.082 0.000 1.237 486 I CA -0.706 60.652 61.300 0.097 0.000 0.963 486 I CB 2.550 40.575 38.000 0.042 0.000 1.278 486 I HN 0.468 nan 8.210 nan 0.000 0.460 487 T N 0.293 114.883 114.554 0.061 0.000 2.982 487 T HA 0.332 4.682 4.350 0.001 0.000 0.321 487 T C -0.048 174.673 174.700 0.034 0.000 1.229 487 T CA -0.376 61.752 62.100 0.047 0.000 1.044 487 T CB 1.975 70.888 68.868 0.074 0.000 1.184 487 T HN 0.860 nan 8.240 nan 0.000 0.477 488 E N 2.357 122.571 120.200 0.022 0.000 2.371 488 E HA 0.164 4.514 4.350 0.001 0.000 0.194 488 E C 0.398 177.012 176.600 0.025 0.000 1.012 488 E CA 0.259 56.670 56.400 0.018 0.000 0.860 488 E CB 0.178 29.883 29.700 0.009 0.000 0.811 488 E HN 0.593 nan 8.360 nan 0.000 0.502 489 I N 3.486 124.078 120.570 0.037 0.000 2.668 489 I HA -0.006 4.164 4.170 0.001 0.000 0.285 489 I C -2.104 174.027 176.117 0.023 0.000 1.168 489 I CA -1.614 59.711 61.300 0.042 0.000 1.424 489 I CB 0.138 38.184 38.000 0.077 0.000 1.377 489 I HN -0.202 nan 8.210 nan 0.000 0.560 490 P HA 0.079 nan 4.420 nan 0.000 0.274 490 P C -0.596 176.688 177.300 -0.026 0.000 1.237 490 P CA -0.492 62.608 63.100 0.002 0.000 0.793 490 P CB 0.520 32.222 31.700 0.004 0.000 0.977 491 E N 1.088 121.275 120.200 -0.023 0.000 2.289 491 E HA 0.166 4.516 4.350 0.001 0.000 0.278 491 E C -0.728 175.845 176.600 -0.044 0.000 1.032 491 E CA -0.729 55.640 56.400 -0.052 0.000 0.854 491 E CB 0.364 30.082 29.700 0.029 0.000 1.046 491 E HN 0.224 nan 8.360 nan 0.000 0.409 492 L N 6.950 128.103 121.223 -0.116 0.000 2.407 492 L HA 0.266 4.606 4.340 0.001 0.000 0.282 492 L C -0.894 176.014 176.870 0.064 0.000 1.110 492 L CA 0.419 55.207 54.840 -0.086 0.000 0.863 492 L CB 0.159 42.050 42.059 -0.279 0.000 1.207 492 L HN 0.490 nan 8.230 nan 0.000 0.454 493 I N 6.791 127.387 120.570 0.043 0.000 2.388 493 I HA 0.203 4.374 4.170 0.001 0.000 0.281 493 I C 0.189 176.325 176.117 0.031 0.000 1.046 493 I CA -0.478 60.864 61.300 0.069 0.000 1.187 493 I CB 0.657 38.691 38.000 0.056 0.000 1.351 493 I HN 0.574 nan 8.210 nan 0.000 0.472 494 L N 4.412 125.655 121.223 0.034 0.000 2.425 494 L HA 0.162 4.503 4.340 0.001 0.000 0.225 494 L C 1.007 177.879 176.870 0.003 0.000 1.222 494 L CA -0.259 54.583 54.840 0.004 0.000 0.832 494 L CB 0.205 42.262 42.059 -0.004 0.000 1.238 494 L HN 0.524 nan 8.230 nan 0.000 0.533 495 E N 0.475 120.671 120.200 -0.007 0.000 2.316 495 E HA -0.067 4.283 4.350 0.001 0.000 0.275 495 E C 0.221 176.817 176.600 -0.006 0.000 1.029 495 E CA -0.316 56.080 56.400 -0.006 0.000 0.871 495 E CB 0.830 30.524 29.700 -0.010 0.000 1.022 495 E HN 0.471 nan 8.360 nan 0.000 0.418 496 D N 3.206 123.604 120.400 -0.003 0.000 3.523 496 D HA -0.221 4.419 4.640 0.001 0.000 0.258 496 D C -0.786 175.509 176.300 -0.007 0.000 1.189 496 D CA 1.404 55.402 54.000 -0.003 0.000 0.935 496 D CB -1.577 39.221 40.800 -0.004 0.000 1.003 496 D HN 0.560 nan 8.370 nan 0.000 0.545 497 P HA 0.000 nan 4.420 nan 0.000 0.216 497 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 497 P CB 0.000 31.689 31.700 -0.018 0.000 0.726