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 2zc7_1_C DATA FIRST_RESID 2 DATA SEQUENCE PMSEKQLAEV VERTVTPLMK AQAIPGMAVA VIYEGQPHYF TFGKADVAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLGDPVTK YWPELTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVKDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMSYE QAITTRVFKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVHV SPGMLDAEAY GVKTNVQDMA SWVMVNMKPD SLQDNSLRKG DATA SEQUENCE LTLAQSRYWR VGAMYQGLGW EMLNWPVDAK TVVEGSDNKV ALAPLPAREV DATA SEQUENCE NPPAPPVNAS WVHKTGSTGG FGSYVAFIPE KQLGIVMLAN KSYPNPARVE DATA SEQUENCE AAYRILSAL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.420 177.300 0.200 0.000 1.155 2 P CA 0.000 63.192 63.100 0.154 0.000 0.800 2 P CB 0.000 31.750 31.700 0.084 0.000 0.726 3 M N 1.216 120.908 119.600 0.153 0.000 2.108 3 M HA -0.120 4.360 4.480 0.000 0.000 0.494 3 M C 0.874 177.167 176.300 -0.011 0.000 1.091 3 M CA 1.414 56.712 55.300 -0.003 0.000 0.586 3 M CB -0.359 32.084 32.600 -0.262 0.000 1.870 3 M HN 0.508 nan 8.290 nan 0.000 0.573 4 S N 1.806 117.488 115.700 -0.030 0.000 2.669 4 S HA 0.205 4.675 4.470 0.000 0.000 0.270 4 S C 0.938 175.506 174.600 -0.053 0.000 1.225 4 S CA -0.578 57.618 58.200 -0.007 0.000 0.991 4 S CB 1.985 65.192 63.200 0.011 0.000 0.987 4 S HN 0.765 nan 8.310 nan 0.000 0.552 5 E N 1.055 121.255 120.200 -0.000 0.000 2.077 5 E HA -0.205 4.145 4.350 0.000 0.000 0.193 5 E C 1.804 178.426 176.600 0.037 0.000 0.989 5 E CA 1.488 57.895 56.400 0.011 0.000 0.800 5 E CB -0.371 29.392 29.700 0.106 0.000 0.746 5 E HN 0.804 nan 8.360 nan 0.000 0.452 6 K N 0.152 120.573 120.400 0.035 0.000 2.103 6 K HA -0.181 4.139 4.320 0.000 0.000 0.207 6 K C 2.316 178.917 176.600 0.001 0.000 1.048 6 K CA 1.568 57.876 56.287 0.036 0.000 0.930 6 K CB 0.032 32.549 32.500 0.028 0.000 0.716 6 K HN 0.157 nan 8.250 nan 0.000 0.444 7 Q N -0.024 119.755 119.800 -0.036 0.000 2.079 7 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 7 Q C 2.067 177.994 176.000 -0.121 0.000 0.974 7 Q CA 0.937 56.699 55.803 -0.069 0.000 0.840 7 Q CB -0.035 28.657 28.738 -0.076 0.000 0.898 7 Q HN 0.210 nan 8.270 nan 0.000 0.430 8 L N 0.679 121.798 121.223 -0.173 0.000 2.056 8 L HA -0.105 4.235 4.340 0.000 0.000 0.207 8 L C 2.219 178.927 176.870 -0.272 0.000 1.078 8 L CA 1.905 56.596 54.840 -0.249 0.000 0.749 8 L CB -1.148 40.747 42.059 -0.274 0.000 0.901 8 L HN 0.127 nan 8.230 nan 0.000 0.433 9 A N -0.664 122.105 122.820 -0.084 0.000 1.883 9 A HA -0.306 4.014 4.320 0.000 0.000 0.217 9 A C 2.305 179.800 177.584 -0.149 0.000 1.186 9 A CA 1.984 53.978 52.037 -0.071 0.000 0.624 9 A CB -0.743 18.378 19.000 0.202 0.000 0.822 9 A HN 0.597 nan 8.150 nan 0.000 0.444 10 E N -0.207 119.947 120.200 -0.077 0.000 2.058 10 E HA -0.159 4.191 4.350 0.000 0.000 0.194 10 E C 1.810 178.356 176.600 -0.089 0.000 0.997 10 E CA 1.711 58.079 56.400 -0.054 0.000 0.801 10 E CB -0.246 29.433 29.700 -0.035 0.000 0.746 10 E HN 0.289 nan 8.360 nan 0.000 0.450 11 V N 0.619 120.451 119.914 -0.136 0.000 2.343 11 V HA -0.235 3.885 4.120 0.000 0.000 0.247 11 V C 2.412 178.410 176.094 -0.160 0.000 1.051 11 V CA 1.530 63.750 62.300 -0.133 0.000 1.036 11 V CB -0.172 31.564 31.823 -0.145 0.000 0.654 11 V HN 0.244 nan 8.190 nan 0.000 0.451 12 V N -0.245 119.495 119.914 -0.290 0.000 2.283 12 V HA -0.191 3.929 4.120 0.000 0.000 0.243 12 V C 2.371 178.396 176.094 -0.114 0.000 1.039 12 V CA 1.872 64.003 62.300 -0.281 0.000 1.016 12 V CB -0.631 30.778 31.823 -0.689 0.000 0.650 12 V HN 0.583 nan 8.190 nan 0.000 0.449 13 E N 0.939 121.123 120.200 -0.025 0.000 2.058 13 E HA -0.275 4.075 4.350 0.000 0.000 0.194 13 E C 2.208 178.818 176.600 0.017 0.000 0.997 13 E CA 1.665 58.152 56.400 0.144 0.000 0.801 13 E CB -0.281 29.542 29.700 0.206 0.000 0.746 13 E HN 0.675 nan 8.360 nan 0.000 0.450 14 R N 0.383 120.875 120.500 -0.013 0.000 2.293 14 R HA -0.017 4.323 4.340 0.000 0.000 0.219 14 R C 1.661 177.938 176.300 -0.038 0.000 1.091 14 R CA 1.422 57.511 56.100 -0.018 0.000 1.004 14 R CB -0.425 29.866 30.300 -0.015 0.000 0.865 14 R HN -0.037 nan 8.270 nan 0.000 0.469 15 T N -0.853 113.663 114.554 -0.063 0.000 3.018 15 T HA 0.194 4.544 4.350 0.000 0.000 0.246 15 T C 1.592 176.215 174.700 -0.127 0.000 1.026 15 T CA 0.289 62.351 62.100 -0.064 0.000 1.081 15 T CB 0.289 69.139 68.868 -0.030 0.000 0.970 15 T HN 0.012 nan 8.240 nan 0.000 0.475 16 V N 1.529 121.301 119.914 -0.236 0.000 2.446 16 V HA -0.091 4.030 4.120 0.000 0.000 0.244 16 V C 2.746 178.564 176.094 -0.459 0.000 1.039 16 V CA 1.714 63.748 62.300 -0.442 0.000 1.045 16 V CB -0.815 30.495 31.823 -0.855 0.000 0.681 16 V HN 0.441 nan 8.190 nan 0.000 0.459 17 T N 1.234 115.571 114.554 -0.361 0.000 2.665 17 T HA -0.118 4.232 4.350 0.000 0.000 0.268 17 T C -0.133 174.495 174.700 -0.120 0.000 1.035 17 T CA 2.169 64.163 62.100 -0.176 0.000 1.151 17 T CB -1.193 67.673 68.868 -0.003 0.000 0.862 17 T HN 0.465 nan 8.240 nan 0.000 0.438 18 P HA 0.064 nan 4.420 nan 0.000 0.222 18 P C 1.719 178.966 177.300 -0.089 0.000 1.153 18 P CA 0.554 63.613 63.100 -0.069 0.000 0.798 18 P CB -0.176 31.497 31.700 -0.045 0.000 0.796 19 L N -0.596 120.553 121.223 -0.124 0.000 2.046 19 L HA -0.100 4.240 4.340 0.000 0.000 0.208 19 L C 2.480 179.234 176.870 -0.193 0.000 1.077 19 L CA 2.014 56.771 54.840 -0.139 0.000 0.747 19 L CB -1.179 40.787 42.059 -0.156 0.000 0.896 19 L HN -0.197 nan 8.230 nan 0.000 0.432 20 M N -0.930 118.542 119.600 -0.214 0.000 2.175 20 M HA -0.195 4.286 4.480 0.000 0.000 0.264 20 M C 2.226 178.452 176.300 -0.124 0.000 1.063 20 M CA 1.748 56.930 55.300 -0.196 0.000 1.119 20 M CB -0.326 32.173 32.600 -0.169 0.000 1.377 20 M HN 0.148 nan 8.290 nan 0.000 0.415 21 K N 0.675 121.020 120.400 -0.091 0.000 2.002 21 K HA -0.067 4.254 4.320 0.000 0.000 0.209 21 K C 2.129 178.696 176.600 -0.054 0.000 1.048 21 K CA 1.600 57.852 56.287 -0.058 0.000 0.930 21 K CB -0.362 32.113 32.500 -0.041 0.000 0.714 21 K HN 0.277 nan 8.250 nan 0.000 0.438 22 A N 0.793 123.579 122.820 -0.055 0.000 1.972 22 A HA -0.151 4.170 4.320 0.000 0.000 0.219 22 A C 1.775 179.340 177.584 -0.033 0.000 1.169 22 A CA 1.331 53.347 52.037 -0.036 0.000 0.635 22 A CB -0.108 18.876 19.000 -0.026 0.000 0.810 22 A HN 0.188 nan 8.150 nan 0.000 0.446 23 Q N -1.930 117.831 119.800 -0.064 0.000 2.282 23 Q HA 0.401 4.741 4.340 0.000 0.000 0.206 23 Q C 0.641 176.611 176.000 -0.050 0.000 0.878 23 Q CA 0.626 56.399 55.803 -0.050 0.000 0.944 23 Q CB 0.151 28.808 28.738 -0.135 0.000 1.100 23 Q HN 0.941 nan 8.270 nan 0.000 0.509 24 A N 1.396 124.179 122.820 -0.062 0.000 2.687 24 A HA -0.174 4.146 4.320 0.000 0.000 0.299 24 A C 0.117 177.659 177.584 -0.070 0.000 1.497 24 A CA 0.271 52.273 52.037 -0.057 0.000 0.751 24 A CB -2.012 16.968 19.000 -0.034 0.000 1.048 24 A HN 0.263 nan 8.150 nan 0.000 0.464 25 I N -0.337 120.166 120.570 -0.112 0.000 2.396 25 I HA 0.163 4.333 4.170 0.000 0.000 0.289 25 I C -0.879 175.205 176.117 -0.055 0.000 1.056 25 I CA -1.841 59.400 61.300 -0.097 0.000 1.365 25 I CB 0.350 38.235 38.000 -0.192 0.000 1.407 25 I HN 0.057 nan 8.210 nan 0.000 0.509 26 P HA 0.028 nan 4.420 nan 0.000 0.218 26 P C 0.512 177.845 177.300 0.055 0.000 1.152 26 P CA 0.644 63.701 63.100 -0.071 0.000 0.826 26 P CB 0.451 31.989 31.700 -0.270 0.000 0.790 27 G N -1.135 107.761 108.800 0.160 0.000 2.706 27 G HA2 0.668 4.629 3.960 0.000 0.000 0.297 27 G HA3 0.668 4.629 3.960 0.000 0.000 0.297 27 G C -1.931 173.199 174.900 0.384 0.000 1.403 27 G CA -0.401 44.873 45.100 0.290 0.000 0.954 27 G HN 0.023 nan 8.290 nan 0.000 0.500 28 M N 1.491 121.331 119.600 0.399 0.000 2.378 28 M HA 0.729 5.210 4.480 0.000 0.000 0.289 28 M C -1.167 175.337 176.300 0.341 0.000 1.136 28 M CA -0.687 54.795 55.300 0.303 0.000 0.917 28 M CB 2.271 34.965 32.600 0.157 0.000 1.669 28 M HN 0.838 nan 8.290 nan 0.000 0.461 29 A N 4.086 126.921 122.820 0.025 0.000 2.318 29 A HA 0.787 5.107 4.320 0.000 0.000 0.317 29 A C -1.458 176.208 177.584 0.137 0.000 1.159 29 A CA -0.589 51.510 52.037 0.102 0.000 0.799 29 A CB 1.112 20.105 19.000 -0.013 0.000 1.194 29 A HN 0.619 nan 8.150 nan 0.000 0.479 30 V N 1.214 121.326 119.914 0.330 0.000 2.680 30 V HA 0.827 4.947 4.120 0.000 0.000 0.309 30 V C 0.235 176.587 176.094 0.430 0.000 1.052 30 V CA -0.301 62.226 62.300 0.378 0.000 0.908 30 V CB 1.739 33.858 31.823 0.493 0.000 1.001 30 V HN 1.285 nan 8.190 nan 0.000 0.431 31 A N 3.645 126.676 122.820 0.351 0.000 2.374 31 A HA 0.851 5.171 4.320 0.000 0.000 0.305 31 A C -1.174 176.558 177.584 0.246 0.000 1.053 31 A CA -0.533 51.675 52.037 0.286 0.000 0.726 31 A CB 1.808 20.975 19.000 0.278 0.000 1.229 31 A HN 0.643 nan 8.150 nan 0.000 0.431 32 V N 3.544 123.618 119.914 0.267 0.000 2.384 32 V HA 0.330 4.451 4.120 0.000 0.000 0.287 32 V C -0.821 175.389 176.094 0.193 0.000 1.020 32 V CA -0.313 62.125 62.300 0.230 0.000 0.850 32 V CB 1.343 33.319 31.823 0.254 0.000 0.987 32 V HN 0.718 nan 8.190 nan 0.000 0.436 33 I N 6.255 126.900 120.570 0.124 0.000 2.291 33 I HA 0.288 4.458 4.170 0.000 0.000 0.292 33 I C -0.580 175.627 176.117 0.150 0.000 1.064 33 I CA -0.221 61.131 61.300 0.087 0.000 1.269 33 I CB 0.203 38.189 38.000 -0.023 0.000 1.418 33 I HN 0.533 nan 8.210 nan 0.000 0.485 34 Y N 5.469 125.816 120.300 0.079 0.000 2.328 34 Y HA 0.363 4.913 4.550 0.000 0.000 0.333 34 Y C 0.510 176.438 175.900 0.047 0.000 0.958 34 Y CA -1.093 57.034 58.100 0.046 0.000 1.167 34 Y CB 0.796 39.267 38.460 0.020 0.000 1.151 34 Y HN 0.727 nan 8.280 nan 0.000 0.470 35 E N 3.938 123.892 120.200 -0.410 0.000 2.297 35 E HA -0.271 4.079 4.350 0.000 0.000 0.228 35 E C 1.070 177.587 176.600 -0.139 0.000 1.213 35 E CA 0.763 56.979 56.400 -0.306 0.000 0.712 35 E CB -1.436 28.060 29.700 -0.340 0.000 1.202 35 E HN 1.229 nan 8.360 nan 0.000 0.376 36 G N -0.291 108.441 108.800 -0.114 0.000 2.186 36 G HA2 -0.359 3.601 3.960 0.000 0.000 0.266 36 G HA3 -0.359 3.601 3.960 0.000 0.000 0.266 36 G C 0.099 174.956 174.900 -0.072 0.000 0.982 36 G CA 0.937 45.979 45.100 -0.097 0.000 0.670 36 G HN 0.279 nan 8.290 nan 0.000 0.533 37 Q N 0.197 119.977 119.800 -0.033 0.000 2.337 37 Q HA 0.479 4.819 4.340 0.000 0.000 0.266 37 Q C -2.520 173.406 176.000 -0.124 0.000 1.023 37 Q CA -2.026 53.725 55.803 -0.087 0.000 0.829 37 Q CB 2.785 31.465 28.738 -0.098 0.000 1.306 37 Q HN 0.307 nan 8.270 nan 0.000 0.449 38 P HA 0.285 nan 4.420 nan 0.000 0.285 38 P C -1.080 175.784 177.300 -0.727 0.000 1.259 38 P CA -0.316 62.560 63.100 -0.374 0.000 0.794 38 P CB 0.823 32.309 31.700 -0.357 0.000 0.940 39 H N 1.258 120.007 119.070 -0.534 0.000 2.609 39 H HA 0.438 4.994 4.556 0.000 0.000 0.344 39 H C -0.730 174.106 175.328 -0.819 0.000 1.040 39 H CA -0.219 55.471 56.048 -0.596 0.000 1.216 39 H CB 0.877 30.511 29.762 -0.215 0.000 1.529 39 H HN 0.300 nan 8.280 nan 0.000 0.519 40 Y N 2.943 122.957 120.300 -0.477 0.000 2.335 40 Y HA 0.389 4.940 4.550 0.000 0.000 0.339 40 Y C -0.804 174.640 175.900 -0.761 0.000 0.987 40 Y CA -0.987 56.856 58.100 -0.428 0.000 1.140 40 Y CB 0.436 38.773 38.460 -0.205 0.000 1.173 40 Y HN 0.460 nan 8.280 nan 0.000 0.486 41 F N 1.222 121.285 119.950 0.189 0.000 2.518 41 F HA 0.617 5.144 4.527 0.000 0.000 0.323 41 F C 0.022 175.800 175.800 -0.037 0.000 1.129 41 F CA -1.038 56.965 58.000 0.004 0.000 0.920 41 F CB 2.079 41.129 39.000 0.083 0.000 1.160 41 F HN 0.360 nan 8.300 nan 0.000 0.440 42 T N -0.581 113.887 114.554 -0.143 0.000 2.908 42 T HA 0.841 5.191 4.350 0.000 0.000 0.290 42 T C -1.136 173.370 174.700 -0.324 0.000 1.034 42 T CA -0.806 61.274 62.100 -0.034 0.000 1.010 42 T CB 1.644 70.549 68.868 0.063 0.000 1.068 42 T HN 0.282 nan 8.240 nan 0.000 0.481 43 F N 0.381 120.436 119.950 0.176 0.000 2.574 43 F HA 0.668 5.195 4.527 0.000 0.000 0.313 43 F C 1.033 176.911 175.800 0.131 0.000 1.130 43 F CA 0.148 58.230 58.000 0.136 0.000 0.936 43 F CB 2.016 41.083 39.000 0.112 0.000 1.219 43 F HN 1.255 nan 8.300 nan 0.000 0.445 44 G N 2.662 111.621 108.800 0.265 0.000 2.562 44 G HA2 -0.141 3.819 3.960 0.000 0.000 0.250 44 G HA3 -0.141 3.819 3.960 0.000 0.000 0.250 44 G C -1.146 173.850 174.900 0.159 0.000 1.269 44 G CA -0.702 44.508 45.100 0.182 0.000 0.919 44 G HN 0.484 nan 8.290 nan 0.000 0.574 45 K N 0.419 120.898 120.400 0.132 0.000 2.182 45 K HA 0.751 5.071 4.320 0.000 0.000 0.262 45 K C 1.098 177.799 176.600 0.168 0.000 0.957 45 K CA -0.094 56.265 56.287 0.119 0.000 0.842 45 K CB 1.414 33.943 32.500 0.048 0.000 1.099 45 K HN 0.972 nan 8.250 nan 0.000 0.438 46 A N 1.298 124.221 122.820 0.171 0.000 1.984 46 A HA -0.034 4.287 4.320 0.000 0.000 0.214 46 A C 0.200 177.949 177.584 0.275 0.000 1.173 46 A CA 1.061 53.201 52.037 0.171 0.000 0.673 46 A CB 0.135 19.198 19.000 0.104 0.000 0.830 46 A HN 0.627 nan 8.150 nan 0.000 0.453 47 D N -0.738 119.815 120.400 0.256 0.000 2.476 47 D HA 0.377 5.017 4.640 0.000 0.000 0.251 47 D C 0.779 177.179 176.300 0.166 0.000 1.291 47 D CA -0.322 53.867 54.000 0.314 0.000 0.939 47 D CB 1.579 42.554 40.800 0.291 0.000 1.221 47 D HN -0.116 nan 8.370 nan 0.000 0.567 48 V N 3.530 123.515 119.914 0.118 0.000 2.261 48 V HA -0.212 3.908 4.120 0.000 0.000 0.246 48 V C 2.525 178.613 176.094 -0.010 0.000 1.047 48 V CA 2.410 64.683 62.300 -0.046 0.000 1.015 48 V CB -0.703 30.953 31.823 -0.279 0.000 0.642 48 V HN 0.689 nan 8.190 nan 0.000 0.446 49 A N -0.246 122.577 122.820 0.004 0.000 1.933 49 A HA -0.049 4.271 4.320 0.000 0.000 0.218 49 A C 2.215 179.792 177.584 -0.010 0.000 1.175 49 A CA 2.007 54.029 52.037 -0.025 0.000 0.628 49 A CB -0.614 18.347 19.000 -0.065 0.000 0.814 49 A HN 0.617 nan 8.150 nan 0.000 0.444 50 A N -1.561 121.268 122.820 0.015 0.000 2.251 50 A HA 0.202 4.522 4.320 0.000 0.000 0.209 50 A C 0.875 178.478 177.584 0.032 0.000 1.187 50 A CA 0.626 52.678 52.037 0.025 0.000 0.823 50 A CB -0.719 18.308 19.000 0.046 0.000 0.846 50 A HN 0.712 nan 8.150 nan 0.000 0.486 51 N N -0.460 118.260 118.700 0.033 0.000 2.738 51 N HA -0.140 4.600 4.740 0.000 0.000 0.249 51 N C -0.973 174.566 175.510 0.049 0.000 1.047 51 N CA 0.394 53.464 53.050 0.032 0.000 0.707 51 N CB -0.736 37.761 38.487 0.018 0.000 0.937 51 N HN 0.550 nan 8.380 nan 0.000 0.545 52 K N 1.441 121.884 120.400 0.072 0.000 2.262 52 K HA 0.291 4.611 4.320 0.000 0.000 0.282 52 K C -2.186 174.470 176.600 0.093 0.000 1.066 52 K CA -1.314 55.022 56.287 0.082 0.000 0.901 52 K CB 1.247 33.809 32.500 0.104 0.000 1.089 52 K HN 0.195 nan 8.250 nan 0.000 0.476 53 P HA 0.010 nan 4.420 nan 0.000 0.272 53 P C -0.147 177.231 177.300 0.129 0.000 1.223 53 P CA -0.365 62.794 63.100 0.099 0.000 0.784 53 P CB 0.804 32.549 31.700 0.075 0.000 0.923 54 V N 2.936 122.954 119.914 0.173 0.000 2.572 54 V HA 0.235 4.355 4.120 0.000 0.000 0.291 54 V C 1.250 177.453 176.094 0.181 0.000 1.039 54 V CA 0.661 63.105 62.300 0.240 0.000 1.055 54 V CB 0.452 32.509 31.823 0.391 0.000 0.969 54 V HN 0.880 nan 8.190 nan 0.000 0.482 55 T N 2.835 117.493 114.554 0.174 0.000 2.831 55 T HA 0.519 4.869 4.350 0.000 0.000 0.287 55 T C -2.452 172.300 174.700 0.087 0.000 1.070 55 T CA -1.963 60.198 62.100 0.101 0.000 1.010 55 T CB 2.097 71.007 68.868 0.071 0.000 1.264 55 T HN 0.336 nan 8.240 nan 0.000 0.532 56 P HA 0.157 nan 4.420 nan 0.000 0.237 56 P C 0.837 178.057 177.300 -0.133 0.000 1.178 56 P CA 0.489 63.507 63.100 -0.138 0.000 0.766 56 P CB 0.053 31.536 31.700 -0.361 0.000 0.876 57 Q N -1.671 118.071 119.800 -0.097 0.000 2.402 57 Q HA 0.079 4.419 4.340 0.000 0.000 0.206 57 Q C 0.446 176.397 176.000 -0.082 0.000 0.919 57 Q CA 0.518 56.193 55.803 -0.215 0.000 0.923 57 Q CB -0.818 27.725 28.738 -0.324 0.000 1.048 57 Q HN 0.089 nan 8.270 nan 0.000 0.515 58 T N 1.551 116.165 114.554 0.099 0.000 2.871 58 T HA 0.092 4.442 4.350 0.000 0.000 0.296 58 T C -0.021 174.745 174.700 0.111 0.000 0.998 58 T CA 0.239 62.410 62.100 0.119 0.000 1.162 58 T CB 0.151 69.093 68.868 0.124 0.000 0.947 58 T HN 0.136 nan 8.240 nan 0.000 0.536 59 L N 4.090 125.320 121.223 0.013 0.000 2.292 59 L HA 0.520 4.860 4.340 0.000 0.000 0.284 59 L C -0.417 176.382 176.870 -0.119 0.000 1.065 59 L CA -0.547 54.285 54.840 -0.012 0.000 0.806 59 L CB 0.452 42.430 42.059 -0.136 0.000 1.175 59 L HN 0.529 nan 8.230 nan 0.000 0.431 60 F N 0.581 120.520 119.950 -0.017 0.000 2.538 60 F HA 0.378 4.905 4.527 0.000 0.000 0.325 60 F C 0.355 175.896 175.800 -0.432 0.000 1.066 60 F CA -0.873 57.075 58.000 -0.086 0.000 0.946 60 F CB 1.527 40.642 39.000 0.193 0.000 1.199 60 F HN 0.382 nan 8.300 nan 0.000 0.473 61 E N 1.891 121.571 120.200 -0.868 0.000 2.259 61 E HA 0.148 4.498 4.350 0.000 0.000 0.281 61 E C 0.195 176.732 176.600 -0.105 0.000 1.037 61 E CA -0.314 55.776 56.400 -0.517 0.000 0.854 61 E CB 1.020 30.345 29.700 -0.625 0.000 1.051 61 E HN 0.451 nan 8.360 nan 0.000 0.409 62 L N 3.036 124.257 121.223 -0.003 0.000 2.291 62 L HA 0.033 4.373 4.340 0.000 0.000 0.214 62 L C 1.288 178.254 176.870 0.161 0.000 1.120 62 L CA 1.803 56.708 54.840 0.107 0.000 0.799 62 L CB -1.311 40.797 42.059 0.083 0.000 0.925 62 L HN 0.902 nan 8.230 nan 0.000 0.446 63 G N -0.966 107.933 108.800 0.164 0.000 2.566 63 G HA2 -0.377 3.583 3.960 0.000 0.000 0.280 63 G HA3 -0.377 3.583 3.960 0.000 0.000 0.280 63 G C 0.971 176.014 174.900 0.238 0.000 1.225 63 G CA 0.340 45.575 45.100 0.224 0.000 0.966 63 G HN 0.195 nan 8.290 nan 0.000 0.560 64 S N 0.207 116.053 115.700 0.243 0.000 2.584 64 S HA 0.026 4.496 4.470 0.000 0.000 0.240 64 S C 2.175 176.898 174.600 0.205 0.000 0.975 64 S CA 1.336 59.692 58.200 0.259 0.000 0.949 64 S CB -0.190 63.200 63.200 0.316 0.000 0.761 64 S HN 0.494 nan 8.310 nan 0.000 0.536 65 I N 1.336 122.011 120.570 0.174 0.000 3.001 65 I HA -0.090 4.080 4.170 0.000 0.000 0.268 65 I C 1.899 178.123 176.117 0.179 0.000 1.267 65 I CA 0.403 61.779 61.300 0.127 0.000 1.472 65 I CB -0.274 37.818 38.000 0.155 0.000 1.089 65 I HN 0.181 nan 8.210 nan 0.000 0.468 66 S N 0.791 116.619 115.700 0.213 0.000 2.419 66 S HA -0.176 4.294 4.470 0.000 0.000 0.235 66 S C 1.851 176.600 174.600 0.247 0.000 1.019 66 S CA 1.094 59.448 58.200 0.256 0.000 0.982 66 S CB -0.211 63.061 63.200 0.120 0.000 0.789 66 S HN 0.454 nan 8.310 nan 0.000 0.490 67 K N 0.998 121.495 120.400 0.163 0.000 2.280 67 K HA -0.092 4.228 4.320 0.000 0.000 0.202 67 K C 2.314 178.943 176.600 0.048 0.000 1.047 67 K CA 1.549 57.912 56.287 0.125 0.000 0.942 67 K CB -0.407 32.189 32.500 0.161 0.000 0.739 67 K HN 0.619 nan 8.250 nan 0.000 0.457 68 T N -1.556 112.949 114.554 -0.081 0.000 2.942 68 T HA -0.046 4.304 4.350 0.000 0.000 0.265 68 T C 1.705 176.453 174.700 0.080 0.000 1.062 68 T CA 0.575 62.490 62.100 -0.310 0.000 1.139 68 T CB -0.308 68.041 68.868 -0.865 0.000 0.883 68 T HN -0.003 nan 8.240 nan 0.000 0.468 69 F N 2.451 122.480 119.950 0.131 0.000 2.146 69 F HA 0.032 4.559 4.527 0.000 0.000 0.298 69 F C 2.943 178.824 175.800 0.135 0.000 1.096 69 F CA 1.328 59.356 58.000 0.046 0.000 1.275 69 F CB -1.107 37.811 39.000 -0.138 0.000 1.008 69 F HN 0.141 nan 8.300 nan 0.000 0.480 70 T N -0.884 113.874 114.554 0.339 0.000 2.788 70 T HA -0.115 4.235 4.350 0.000 0.000 0.268 70 T C 2.333 177.208 174.700 0.292 0.000 1.044 70 T CA 1.362 63.654 62.100 0.319 0.000 1.139 70 T CB -0.973 68.043 68.868 0.248 0.000 0.867 70 T HN 0.428 nan 8.240 nan 0.000 0.454 71 G N 0.553 109.495 108.800 0.236 0.000 2.421 71 G HA2 -0.059 3.901 3.960 0.000 0.000 0.217 71 G HA3 -0.059 3.901 3.960 0.000 0.000 0.217 71 G C 1.627 176.680 174.900 0.255 0.000 1.143 71 G CA 0.328 45.562 45.100 0.223 0.000 0.784 71 G HN 0.427 nan 8.290 nan 0.000 0.541 72 V N 0.397 120.482 119.914 0.286 0.000 2.488 72 V HA -0.012 4.108 4.120 0.000 0.000 0.246 72 V C 2.579 178.803 176.094 0.216 0.000 1.046 72 V CA 1.198 63.675 62.300 0.296 0.000 1.053 72 V CB -0.008 32.086 31.823 0.452 0.000 0.679 72 V HN 0.343 nan 8.190 nan 0.000 0.458 73 L N 1.348 122.682 121.223 0.185 0.000 2.046 73 L HA -0.033 4.307 4.340 0.000 0.000 0.208 73 L C 2.332 179.230 176.870 0.047 0.000 1.077 73 L CA 2.501 57.377 54.840 0.062 0.000 0.747 73 L CB -1.238 40.805 42.059 -0.026 0.000 0.896 73 L HN 0.276 nan 8.230 nan 0.000 0.432 74 G N -1.214 107.659 108.800 0.121 0.000 2.422 74 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 74 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 74 G C 1.500 176.482 174.900 0.138 0.000 1.146 74 G CA 0.567 45.728 45.100 0.102 0.000 0.769 74 G HN 0.596 nan 8.290 nan 0.000 0.547 75 G N 0.459 109.362 108.800 0.172 0.000 2.422 75 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 75 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 75 G C 1.398 176.356 174.900 0.097 0.000 1.140 75 G CA 1.267 46.456 45.100 0.148 0.000 0.775 75 G HN 0.525 nan 8.290 nan 0.000 0.545 76 D N 0.595 121.041 120.400 0.078 0.000 2.117 76 D HA 0.065 4.705 4.640 0.000 0.000 0.198 76 D C 2.632 178.940 176.300 0.015 0.000 0.982 76 D CA 1.356 55.382 54.000 0.043 0.000 0.828 76 D CB -0.234 40.586 40.800 0.033 0.000 0.967 76 D HN 0.207 nan 8.370 nan 0.000 0.464 77 A N 0.120 122.936 122.820 -0.006 0.000 1.930 77 A HA -0.079 4.241 4.320 0.000 0.000 0.217 77 A C 2.342 179.925 177.584 -0.001 0.000 1.175 77 A CA 1.031 53.049 52.037 -0.031 0.000 0.627 77 A CB -0.778 18.167 19.000 -0.091 0.000 0.815 77 A HN 0.395 nan 8.150 nan 0.000 0.443 78 I N -0.210 120.377 120.570 0.029 0.000 2.179 78 I HA -0.288 3.882 4.170 0.000 0.000 0.242 78 I C 2.952 179.097 176.117 0.048 0.000 1.088 78 I CA 1.137 62.469 61.300 0.054 0.000 1.357 78 I CB -0.312 37.742 38.000 0.090 0.000 1.051 78 I HN 0.348 nan 8.210 nan 0.000 0.409 79 A N 0.664 123.510 122.820 0.045 0.000 1.972 79 A HA -0.168 4.152 4.320 0.000 0.000 0.219 79 A C 2.232 179.829 177.584 0.022 0.000 1.169 79 A CA 1.324 53.382 52.037 0.035 0.000 0.635 79 A CB -0.542 18.477 19.000 0.033 0.000 0.810 79 A HN 0.362 nan 8.150 nan 0.000 0.446 80 R N -1.199 119.310 120.500 0.015 0.000 2.319 80 R HA 0.168 4.508 4.340 0.000 0.000 0.204 80 R C 1.376 177.684 176.300 0.013 0.000 0.954 80 R CA 0.484 56.589 56.100 0.007 0.000 1.066 80 R CB -0.247 30.049 30.300 -0.005 0.000 0.991 80 R HN 0.670 nan 8.270 nan 0.000 0.486 81 G N 1.270 110.084 108.800 0.024 0.000 2.189 81 G HA2 -0.361 3.599 3.960 0.000 0.000 0.267 81 G HA3 -0.361 3.599 3.960 0.000 0.000 0.267 81 G C 0.664 175.588 174.900 0.040 0.000 0.975 81 G CA 0.748 45.868 45.100 0.032 0.000 0.644 81 G HN 0.466 nan 8.290 nan 0.000 0.537 82 E N -0.783 119.436 120.200 0.032 0.000 2.285 82 E HA 0.317 4.667 4.350 0.000 0.000 0.194 82 E C 0.851 177.510 176.600 0.099 0.000 0.997 82 E CA 0.667 57.095 56.400 0.047 0.000 0.845 82 E CB 0.342 30.048 29.700 0.011 0.000 0.782 82 E HN 0.644 nan 8.360 nan 0.000 0.491 83 I N -1.044 119.568 120.570 0.071 0.000 2.894 83 I HA 0.189 4.359 4.170 0.000 0.000 0.302 83 I C -0.927 175.255 176.117 0.108 0.000 1.188 83 I CA -0.633 60.714 61.300 0.078 0.000 1.014 83 I CB 2.561 40.471 38.000 -0.150 0.000 1.242 83 I HN -0.270 nan 8.210 nan 0.000 0.430 84 S N 3.306 119.107 115.700 0.167 0.000 2.521 84 S HA 0.464 4.934 4.470 0.000 0.000 0.295 84 S C 0.360 175.052 174.600 0.153 0.000 1.098 84 S CA -0.471 57.818 58.200 0.148 0.000 0.999 84 S CB 1.101 64.392 63.200 0.152 0.000 1.034 84 S HN 0.506 nan 8.310 nan 0.000 0.483 85 L N 4.742 126.044 121.223 0.133 0.000 2.201 85 L HA 0.194 4.534 4.340 0.000 0.000 0.212 85 L C 2.456 179.405 176.870 0.132 0.000 1.105 85 L CA 2.076 56.989 54.840 0.122 0.000 0.775 85 L CB -1.173 40.928 42.059 0.071 0.000 0.913 85 L HN 0.912 nan 8.230 nan 0.000 0.440 86 G N -1.724 107.154 108.800 0.130 0.000 2.534 86 G HA2 -0.132 3.828 3.960 0.000 0.000 0.217 86 G HA3 -0.132 3.828 3.960 0.000 0.000 0.217 86 G C 0.459 175.448 174.900 0.148 0.000 1.128 86 G CA -0.079 45.095 45.100 0.124 0.000 0.784 86 G HN 0.272 nan 8.290 nan 0.000 0.542 87 D N 1.575 122.088 120.400 0.188 0.000 2.455 87 D HA 0.193 4.833 4.640 0.000 0.000 0.241 87 D C -1.868 174.581 176.300 0.248 0.000 1.138 87 D CA -1.274 52.860 54.000 0.224 0.000 0.877 87 D CB 1.362 42.381 40.800 0.365 0.000 1.187 87 D HN 0.132 nan 8.370 nan 0.000 0.451 88 P HA -0.025 nan 4.420 nan 0.000 0.270 88 P C 0.889 178.349 177.300 0.266 0.000 1.223 88 P CA -0.365 62.861 63.100 0.210 0.000 0.785 88 P CB 0.957 32.750 31.700 0.156 0.000 0.923 89 V N 1.464 121.550 119.914 0.287 0.000 2.515 89 V HA -0.193 3.927 4.120 0.000 0.000 0.250 89 V C 2.668 178.881 176.094 0.197 0.000 1.058 89 V CA 2.746 65.216 62.300 0.283 0.000 1.064 89 V CB -1.975 29.991 31.823 0.239 0.000 0.675 89 V HN 0.718 nan 8.190 nan 0.000 0.461 90 T N -1.174 113.448 114.554 0.114 0.000 2.897 90 T HA -0.293 4.058 4.350 0.000 0.000 0.271 90 T C 1.770 176.474 174.700 0.006 0.000 1.084 90 T CA 1.715 63.832 62.100 0.029 0.000 1.123 90 T CB -0.399 68.483 68.868 0.023 0.000 0.865 90 T HN 0.540 nan 8.240 nan 0.000 0.496 91 K N -0.047 120.330 120.400 -0.038 0.000 2.283 91 K HA -0.071 4.249 4.320 0.000 0.000 0.202 91 K C 1.121 177.452 176.600 -0.447 0.000 1.048 91 K CA 0.955 57.089 56.287 -0.255 0.000 0.948 91 K CB -0.163 32.104 32.500 -0.389 0.000 0.742 91 K HN 0.532 nan 8.250 nan 0.000 0.458 92 Y N -2.043 118.276 120.300 0.032 0.000 2.449 92 Y HA 0.133 4.683 4.550 0.000 0.000 0.254 92 Y C -0.010 175.916 175.900 0.045 0.000 1.140 92 Y CA -0.395 57.705 58.100 -0.000 0.000 1.272 92 Y CB 0.627 39.056 38.460 -0.051 0.000 1.114 92 Y HN 0.105 nan 8.280 nan 0.000 0.525 93 W N 3.044 124.316 121.300 -0.046 0.000 2.534 93 W HA 0.357 5.018 4.660 0.000 0.000 0.292 93 W C -2.586 173.861 176.519 -0.119 0.000 1.027 93 W CA -3.284 54.001 57.345 -0.100 0.000 1.304 93 W CB 1.312 30.666 29.460 -0.177 0.000 1.187 93 W HN -0.184 nan 8.180 nan 0.000 0.356 94 P HA -0.079 nan 4.420 nan 0.000 0.227 94 P C 0.694 177.951 177.300 -0.073 0.000 1.161 94 P CA 1.339 64.439 63.100 -0.001 0.000 0.788 94 P CB 0.563 32.266 31.700 0.005 0.000 0.822 95 E N -0.457 119.694 120.200 -0.082 0.000 2.515 95 E HA -0.012 4.338 4.350 0.000 0.000 0.201 95 E C 0.399 176.736 176.600 -0.438 0.000 1.071 95 E CA 0.218 56.504 56.400 -0.190 0.000 0.880 95 E CB -0.597 29.040 29.700 -0.104 0.000 0.828 95 E HN 0.150 nan 8.360 nan 0.000 0.540 96 L N 0.685 121.591 121.223 -0.528 0.000 2.277 96 L HA 0.292 4.633 4.340 0.000 0.000 0.284 96 L C 0.462 177.138 176.870 -0.322 0.000 1.028 96 L CA 0.182 54.642 54.840 -0.633 0.000 0.835 96 L CB 1.077 42.581 42.059 -0.925 0.000 1.215 96 L HN 0.008 nan 8.230 nan 0.000 0.425 97 T N 0.201 114.637 114.554 -0.197 0.000 3.058 97 T HA 0.346 4.696 4.350 0.000 0.000 0.278 97 T C 0.786 175.519 174.700 0.054 0.000 0.974 97 T CA 0.229 62.297 62.100 -0.054 0.000 0.893 97 T CB -0.059 68.778 68.868 -0.051 0.000 1.138 97 T HN 0.660 nan 8.240 nan 0.000 0.529 98 G N 1.688 110.568 108.800 0.133 0.000 2.380 98 G HA2 0.270 4.230 3.960 0.000 0.000 0.242 98 G HA3 0.270 4.230 3.960 0.000 0.000 0.242 98 G C 0.499 175.560 174.900 0.267 0.000 1.298 98 G CA -0.638 44.592 45.100 0.217 0.000 0.878 98 G HN 0.452 nan 8.290 nan 0.000 0.542 99 K N 1.354 121.838 120.400 0.139 0.000 2.504 99 K HA -0.084 4.237 4.320 0.000 0.000 0.195 99 K C 2.114 178.756 176.600 0.070 0.000 1.036 99 K CA 0.836 57.186 56.287 0.106 0.000 0.984 99 K CB 0.168 32.699 32.500 0.052 0.000 0.788 99 K HN 0.566 nan 8.250 nan 0.000 0.488 100 Q N -0.312 119.494 119.800 0.010 0.000 2.369 100 Q HA -0.106 4.234 4.340 0.000 0.000 0.206 100 Q C 0.432 176.345 176.000 -0.145 0.000 0.963 100 Q CA 0.857 56.570 55.803 -0.150 0.000 0.894 100 Q CB -0.319 28.205 28.738 -0.355 0.000 0.965 100 Q HN 0.381 nan 8.270 nan 0.000 0.475 101 W N 2.532 123.898 121.300 0.110 0.000 3.387 101 W HA 0.136 4.796 4.660 0.000 0.000 0.403 101 W C 0.365 176.948 176.519 0.106 0.000 1.073 101 W CA -0.254 57.176 57.345 0.141 0.000 1.866 101 W CB 0.114 29.643 29.460 0.116 0.000 0.981 101 W HN 0.272 nan 8.180 nan 0.000 0.802 102 Q N -0.594 119.339 119.800 0.222 0.000 2.155 102 Q HA 0.421 4.761 4.340 0.000 0.000 0.273 102 Q C 0.790 176.875 176.000 0.143 0.000 0.857 102 Q CA 0.134 56.045 55.803 0.181 0.000 1.116 102 Q CB 0.662 29.479 28.738 0.132 0.000 1.209 102 Q HN 0.187 nan 8.270 nan 0.000 0.460 103 G N 0.671 109.566 108.800 0.159 0.000 3.193 103 G HA2 0.197 4.157 3.960 0.000 0.000 0.183 103 G HA3 0.197 4.157 3.960 0.000 0.000 0.183 103 G C 0.178 175.184 174.900 0.177 0.000 1.254 103 G CA -0.282 44.903 45.100 0.141 0.000 0.898 103 G HN 0.276 nan 8.290 nan 0.000 0.816 104 I N 2.940 123.643 120.570 0.222 0.000 2.406 104 I HA 0.290 4.460 4.170 0.000 0.000 0.293 104 I C 0.260 176.548 176.117 0.284 0.000 1.101 104 I CA -0.359 61.100 61.300 0.265 0.000 1.334 104 I CB 0.411 38.618 38.000 0.345 0.000 1.421 104 I HN -0.024 nan 8.210 nan 0.000 0.513 105 R N 5.006 125.646 120.500 0.234 0.000 2.553 105 R HA 0.389 4.730 4.340 0.000 0.000 0.263 105 R C 1.062 177.491 176.300 0.215 0.000 1.066 105 R CA -0.743 55.490 56.100 0.222 0.000 1.135 105 R CB 0.494 30.906 30.300 0.187 0.000 1.148 105 R HN 0.431 nan 8.270 nan 0.000 0.558 106 M N 0.729 120.459 119.600 0.216 0.000 2.202 106 M HA -0.119 4.362 4.480 0.000 0.000 0.262 106 M C 1.786 178.137 176.300 0.086 0.000 1.063 106 M CA 1.379 56.808 55.300 0.216 0.000 1.097 106 M CB -0.827 31.899 32.600 0.211 0.000 1.382 106 M HN 0.564 nan 8.290 nan 0.000 0.413 107 L N 1.067 122.322 121.223 0.054 0.000 2.127 107 L HA -0.188 4.152 4.340 0.000 0.000 0.211 107 L C 1.743 178.606 176.870 -0.011 0.000 1.089 107 L CA 1.915 56.728 54.840 -0.045 0.000 0.757 107 L CB -0.706 41.399 42.059 0.076 0.000 0.899 107 L HN 0.244 nan 8.230 nan 0.000 0.434 108 D N -0.675 119.776 120.400 0.086 0.000 2.183 108 D HA -0.137 4.503 4.640 0.000 0.000 0.203 108 D C 2.284 178.563 176.300 -0.035 0.000 0.969 108 D CA 1.358 55.399 54.000 0.069 0.000 0.842 108 D CB 0.017 40.898 40.800 0.134 0.000 0.957 108 D HN 0.410 nan 8.370 nan 0.000 0.484 109 L N 0.979 122.191 121.223 -0.019 0.000 2.072 109 L HA -0.064 4.276 4.340 0.000 0.000 0.205 109 L C 2.672 179.393 176.870 -0.249 0.000 1.079 109 L CA 0.851 55.673 54.840 -0.030 0.000 0.752 109 L CB -0.399 41.728 42.059 0.114 0.000 0.906 109 L HN -0.051 nan 8.230 nan 0.000 0.436 110 A N -0.091 122.393 122.820 -0.560 0.000 1.940 110 A HA -0.196 4.125 4.320 0.000 0.000 0.219 110 A C 2.037 179.089 177.584 -0.886 0.000 1.176 110 A CA 2.274 53.658 52.037 -1.088 0.000 0.631 110 A CB -0.772 17.273 19.000 -1.591 0.000 0.814 110 A HN 0.495 nan 8.150 nan 0.000 0.446 111 T N -6.112 108.041 114.554 -0.668 0.000 3.228 111 T HA 0.371 4.721 4.350 0.000 0.000 0.278 111 T C 0.025 174.408 174.700 -0.528 0.000 1.014 111 T CA 0.028 61.746 62.100 -0.636 0.000 0.904 111 T CB -0.662 68.137 68.868 -0.115 0.000 1.110 111 T HN 0.662 nan 8.240 nan 0.000 0.541 112 Y N -0.713 119.477 120.300 -0.182 0.000 3.491 112 Y HA -0.209 4.341 4.550 0.000 0.000 0.215 112 Y C 1.240 177.014 175.900 -0.210 0.000 1.219 112 Y CA 0.482 58.478 58.100 -0.173 0.000 1.485 112 Y CB -3.069 35.295 38.460 -0.160 0.000 1.450 112 Y HN 0.449 nan 8.280 nan 0.000 0.603 113 T N -2.030 112.440 114.554 -0.140 0.000 3.145 113 T HA 0.559 4.909 4.350 0.000 0.000 0.281 113 T C 1.528 176.195 174.700 -0.055 0.000 1.003 113 T CA 0.484 62.435 62.100 -0.248 0.000 0.901 113 T CB -0.065 68.403 68.868 -0.666 0.000 1.112 113 T HN 0.548 nan 8.240 nan 0.000 0.535 114 A N 0.391 123.234 122.820 0.039 0.000 2.121 114 A HA 0.472 4.792 4.320 0.000 0.000 0.218 114 A C 1.774 179.515 177.584 0.261 0.000 1.154 114 A CA 1.047 53.157 52.037 0.122 0.000 0.679 114 A CB -0.530 18.495 19.000 0.042 0.000 0.795 114 A HN 1.042 nan 8.150 nan 0.000 0.458 115 G N -3.472 105.509 108.800 0.300 0.000 2.147 115 G HA2 0.373 4.333 3.960 0.000 0.000 0.128 115 G HA3 0.373 4.333 3.960 0.000 0.000 0.128 115 G C 1.017 176.329 174.900 0.686 0.000 1.026 115 G CA 0.385 45.756 45.100 0.452 0.000 0.693 115 G HN 2.008 nan 8.290 nan 0.000 0.499 116 G N -0.894 108.278 108.800 0.620 0.000 2.155 116 G HA2 -0.032 3.928 3.960 0.000 0.000 0.135 116 G HA3 -0.032 3.928 3.960 0.000 0.000 0.135 116 G C 0.403 175.648 174.900 0.576 0.000 1.023 116 G CA -0.045 45.459 45.100 0.674 0.000 0.688 116 G HN 1.185 nan 8.290 nan 0.000 0.499 117 L N 1.975 123.323 121.223 0.208 0.000 2.529 117 L HA 0.268 4.608 4.340 0.000 0.000 0.287 117 L C -0.643 176.311 176.870 0.140 0.000 1.241 117 L CA -0.934 53.811 54.840 -0.158 0.000 0.857 117 L CB 0.319 42.174 42.059 -0.339 0.000 1.113 117 L HN 0.135 nan 8.230 nan 0.000 0.504 118 P HA -0.009 nan 4.420 nan 0.000 0.276 118 P C 0.500 177.877 177.300 0.128 0.000 1.244 118 P CA -0.597 62.622 63.100 0.198 0.000 0.801 118 P CB 1.087 32.922 31.700 0.226 0.000 1.006 119 L N 0.143 121.425 121.223 0.099 0.000 2.081 119 L HA -0.131 4.209 4.340 0.000 0.000 0.212 119 L C 0.807 177.711 176.870 0.056 0.000 1.080 119 L CA 2.078 56.956 54.840 0.064 0.000 0.754 119 L CB -0.655 41.448 42.059 0.073 0.000 0.893 119 L HN 0.353 nan 8.230 nan 0.000 0.433 120 Q N -0.806 119.024 119.800 0.049 0.000 2.377 120 Q HA 0.408 4.748 4.340 0.000 0.000 0.271 120 Q C -0.914 175.077 176.000 -0.016 0.000 1.077 120 Q CA -0.826 54.993 55.803 0.027 0.000 0.820 120 Q CB 2.084 30.815 28.738 -0.011 0.000 1.347 120 Q HN -0.105 nan 8.270 nan 0.000 0.444 121 V N 3.287 123.190 119.914 -0.017 0.000 2.572 121 V HA 0.132 4.252 4.120 0.000 0.000 0.291 121 V C -1.982 173.971 176.094 -0.235 0.000 1.039 121 V CA -1.075 61.112 62.300 -0.187 0.000 1.055 121 V CB 0.357 32.144 31.823 -0.059 0.000 0.969 121 V HN 0.584 nan 8.190 nan 0.000 0.482 122 P HA 0.040 nan 4.420 nan 0.000 0.264 122 P C 0.188 177.387 177.300 -0.168 0.000 1.193 122 P CA 0.042 62.986 63.100 -0.261 0.000 0.763 122 P CB 0.352 31.848 31.700 -0.341 0.000 0.810 123 D N 0.998 121.346 120.400 -0.088 0.000 2.371 123 D HA -0.135 4.505 4.640 0.000 0.000 0.221 123 D C 0.930 177.208 176.300 -0.037 0.000 0.986 123 D CA 0.853 54.827 54.000 -0.045 0.000 0.899 123 D CB -0.202 40.588 40.800 -0.017 0.000 0.902 123 D HN 0.269 nan 8.370 nan 0.000 0.530 124 E N 0.360 120.528 120.200 -0.054 0.000 2.047 124 E HA -0.032 4.318 4.350 0.000 0.000 0.191 124 E C 0.446 177.028 176.600 -0.031 0.000 0.987 124 E CA 0.604 56.983 56.400 -0.035 0.000 0.799 124 E CB -0.095 29.582 29.700 -0.038 0.000 0.752 124 E HN 0.144 nan 8.360 nan 0.000 0.449 125 V N 2.390 122.265 119.914 -0.066 0.000 2.416 125 V HA -0.080 4.040 4.120 0.000 0.000 0.267 125 V C 0.842 176.931 176.094 -0.007 0.000 1.007 125 V CA 1.014 63.289 62.300 -0.041 0.000 1.102 125 V CB 0.016 31.764 31.823 -0.125 0.000 1.035 125 V HN 0.191 nan 8.190 nan 0.000 0.473 126 K N 2.434 122.845 120.400 0.018 0.000 2.413 126 K HA 0.212 4.532 4.320 0.000 0.000 0.204 126 K C -0.270 176.354 176.600 0.038 0.000 1.041 126 K CA -0.087 56.216 56.287 0.026 0.000 1.082 126 K CB 0.634 33.148 32.500 0.022 0.000 0.871 126 K HN 0.953 nan 8.250 nan 0.000 0.535 127 D N -2.628 117.805 120.400 0.055 0.000 2.643 127 D HA 0.096 4.736 4.640 0.000 0.000 0.283 127 D C 0.002 176.360 176.300 0.097 0.000 1.242 127 D CA -0.793 53.245 54.000 0.064 0.000 0.863 127 D CB 0.243 41.077 40.800 0.056 0.000 1.382 127 D HN -0.266 nan 8.370 nan 0.000 0.444 128 N N 0.081 118.838 118.700 0.095 0.000 2.025 128 N HA -0.119 4.621 4.740 0.000 0.000 0.194 128 N C 1.924 177.549 175.510 0.192 0.000 1.044 128 N CA 2.363 55.497 53.050 0.141 0.000 0.851 128 N CB -0.458 38.089 38.487 0.100 0.000 1.036 128 N HN 0.536 nan 8.380 nan 0.000 0.422 129 A N 0.885 123.792 122.820 0.144 0.000 1.896 129 A HA -0.295 4.025 4.320 0.000 0.000 0.220 129 A C 2.303 179.971 177.584 0.141 0.000 1.206 129 A CA 2.740 54.856 52.037 0.132 0.000 0.647 129 A CB -1.323 17.730 19.000 0.088 0.000 0.828 129 A HN 0.492 nan 8.150 nan 0.000 0.455 130 S N -0.694 115.082 115.700 0.127 0.000 2.402 130 S HA -0.093 4.377 4.470 0.000 0.000 0.229 130 S C 1.781 176.499 174.600 0.197 0.000 1.021 130 S CA 1.321 59.599 58.200 0.129 0.000 0.974 130 S CB -0.553 62.698 63.200 0.084 0.000 0.800 130 S HN 0.402 nan 8.310 nan 0.000 0.484 131 L N 1.107 122.483 121.223 0.255 0.000 2.017 131 L HA 0.116 4.456 4.340 0.000 0.000 0.208 131 L C 2.290 179.492 176.870 0.555 0.000 1.073 131 L CA 1.390 56.477 54.840 0.412 0.000 0.745 131 L CB -0.875 41.461 42.059 0.462 0.000 0.894 131 L HN 0.353 nan 8.230 nan 0.000 0.432 132 L N -0.291 121.213 121.223 0.467 0.000 2.042 132 L HA -0.239 4.101 4.340 0.000 0.000 0.210 132 L C 2.755 179.661 176.870 0.060 0.000 1.076 132 L CA 1.913 56.847 54.840 0.157 0.000 0.749 132 L CB -0.614 41.478 42.059 0.056 0.000 0.893 132 L HN 0.312 nan 8.230 nan 0.000 0.432 133 R N -1.520 119.059 120.500 0.131 0.000 2.092 133 R HA -0.220 4.120 4.340 0.000 0.000 0.231 133 R C 2.363 178.773 176.300 0.183 0.000 1.119 133 R CA 1.761 57.932 56.100 0.120 0.000 0.970 133 R CB -0.494 29.876 30.300 0.116 0.000 0.864 133 R HN 0.465 nan 8.270 nan 0.000 0.440 134 F N 0.275 120.249 119.950 0.039 0.000 2.146 134 F HA -0.171 4.357 4.527 0.000 0.000 0.298 134 F C 1.209 177.042 175.800 0.056 0.000 1.096 134 F CA 1.259 59.243 58.000 -0.027 0.000 1.275 134 F CB -0.489 38.398 39.000 -0.189 0.000 1.008 134 F HN -0.020 nan 8.300 nan 0.000 0.480 135 Y N 0.223 120.488 120.300 -0.057 0.000 2.337 135 Y HA -0.074 4.476 4.550 0.000 0.000 0.293 135 Y C 2.623 178.709 175.900 0.309 0.000 1.123 135 Y CA 1.156 59.275 58.100 0.031 0.000 1.201 135 Y CB -0.926 37.542 38.460 0.012 0.000 1.011 135 Y HN 0.089 nan 8.280 nan 0.000 0.545 136 Q N 0.295 120.225 119.800 0.217 0.000 2.119 136 Q HA -0.146 4.194 4.340 0.000 0.000 0.201 136 Q C 1.056 177.198 176.000 0.237 0.000 0.972 136 Q CA 1.472 57.385 55.803 0.184 0.000 0.847 136 Q CB -0.347 28.405 28.738 0.024 0.000 0.903 136 Q HN 0.616 nan 8.270 nan 0.000 0.433 137 N N -1.345 117.472 118.700 0.195 0.000 2.254 137 N HA -0.004 4.736 4.740 0.000 0.000 0.190 137 N C -0.316 175.275 175.510 0.135 0.000 1.107 137 N CA -0.400 52.735 53.050 0.142 0.000 0.869 137 N CB 0.279 38.837 38.487 0.119 0.000 0.983 137 N HN 0.142 nan 8.380 nan 0.000 0.487 138 W N 3.859 125.134 121.300 -0.041 0.000 2.223 138 W HA 0.010 4.670 4.660 0.000 0.000 0.334 138 W C -0.344 176.102 176.519 -0.122 0.000 1.334 138 W CA -0.339 56.938 57.345 -0.114 0.000 1.246 138 W CB 0.445 29.747 29.460 -0.263 0.000 1.184 138 W HN 0.043 nan 8.180 nan 0.000 0.563 139 Q N 6.716 125.961 119.800 -0.925 0.000 2.348 139 Q HA 0.438 4.778 4.340 0.000 0.000 0.265 139 Q C -2.473 172.653 176.000 -1.458 0.000 0.998 139 Q CA -2.331 52.884 55.803 -0.979 0.000 0.831 139 Q CB 1.536 29.982 28.738 -0.487 0.000 1.251 139 Q HN 0.244 nan 8.270 nan 0.000 0.456 140 P HA -0.023 nan 4.420 nan 0.000 0.268 140 P C -0.323 176.636 177.300 -0.569 0.000 1.204 140 P CA 0.138 62.604 63.100 -1.056 0.000 0.768 140 P CB 0.718 32.013 31.700 -0.675 0.000 0.842 141 Q N 1.031 120.557 119.800 -0.456 0.000 2.408 141 Q HA 0.086 4.427 4.340 0.000 0.000 0.205 141 Q C -0.010 175.449 176.000 -0.901 0.000 0.919 141 Q CA 0.619 55.978 55.803 -0.741 0.000 0.932 141 Q CB 0.359 28.448 28.738 -1.081 0.000 1.058 141 Q HN 0.565 nan 8.270 nan 0.000 0.517 142 W N 0.937 122.205 121.300 -0.052 0.000 2.962 142 W HA 0.420 5.080 4.660 0.000 0.000 0.341 142 W C -0.196 176.303 176.519 -0.033 0.000 1.155 142 W CA -1.079 56.249 57.345 -0.029 0.000 1.165 142 W CB 0.958 30.416 29.460 -0.003 0.000 1.435 142 W HN -0.259 nan 8.180 nan 0.000 0.546 143 K N 2.391 122.915 120.400 0.206 0.000 2.382 143 K HA 0.131 4.451 4.320 0.000 0.000 0.275 143 K C -2.026 174.664 176.600 0.150 0.000 1.009 143 K CA -1.675 54.684 56.287 0.120 0.000 0.970 143 K CB -0.281 32.280 32.500 0.102 0.000 0.934 143 K HN 0.007 nan 8.250 nan 0.000 0.479 144 P HA -0.035 nan 4.420 nan 0.000 0.265 144 P C 0.473 177.867 177.300 0.157 0.000 1.193 144 P CA 0.419 63.604 63.100 0.142 0.000 0.765 144 P CB 0.384 32.164 31.700 0.132 0.000 0.823 145 G N 2.230 111.121 108.800 0.152 0.000 2.147 145 G HA2 -0.247 3.714 3.960 0.000 0.000 0.244 145 G HA3 -0.247 3.714 3.960 0.000 0.000 0.244 145 G C 0.529 175.551 174.900 0.203 0.000 1.005 145 G CA 0.613 45.867 45.100 0.256 0.000 0.713 145 G HN 0.783 nan 8.290 nan 0.000 0.515 146 T N -4.888 109.685 114.554 0.031 0.000 2.966 146 T HA 0.445 4.795 4.350 0.000 0.000 0.254 146 T C 0.584 175.200 174.700 -0.140 0.000 0.961 146 T CA 1.196 63.311 62.100 0.025 0.000 0.915 146 T CB 1.126 70.048 68.868 0.089 0.000 1.186 146 T HN 0.553 nan 8.240 nan 0.000 0.505 147 T N 2.316 116.724 114.554 -0.244 0.000 2.890 147 T HA 0.499 4.849 4.350 0.000 0.000 0.295 147 T C -1.034 173.428 174.700 -0.397 0.000 0.993 147 T CA -0.647 61.212 62.100 -0.401 0.000 0.979 147 T CB 2.283 70.755 68.868 -0.660 0.000 0.967 147 T HN 0.239 nan 8.240 nan 0.000 0.441 148 R N 3.475 123.746 120.500 -0.381 0.000 2.216 148 R HA 0.480 4.821 4.340 0.000 0.000 0.332 148 R C -1.152 175.033 176.300 -0.192 0.000 1.056 148 R CA -0.620 55.320 56.100 -0.267 0.000 0.901 148 R CB 0.196 30.377 30.300 -0.199 0.000 1.039 148 R HN 0.414 nan 8.270 nan 0.000 0.456 149 L N 6.519 127.680 121.223 -0.104 0.000 2.353 149 L HA 0.239 4.579 4.340 0.000 0.000 0.270 149 L C -1.259 175.575 176.870 -0.060 0.000 1.003 149 L CA -0.759 54.042 54.840 -0.065 0.000 0.862 149 L CB 0.770 42.824 42.059 -0.008 0.000 1.221 149 L HN 0.562 nan 8.230 nan 0.000 0.430 150 Y N 4.706 124.835 120.300 -0.284 0.000 2.895 150 Y HA 0.318 4.868 4.550 0.000 0.000 0.334 150 Y C 0.069 175.716 175.900 -0.422 0.000 1.261 150 Y CA 0.989 58.685 58.100 -0.674 0.000 1.560 150 Y CB 0.368 38.523 38.460 -0.508 0.000 1.253 150 Y HN 0.823 nan 8.280 nan 0.000 0.582 151 A N 5.473 127.731 122.820 -0.936 0.000 2.532 151 A HA 0.321 4.641 4.320 0.000 0.000 0.296 151 A C -0.201 177.257 177.584 -0.210 0.000 1.058 151 A CA -0.890 50.955 52.037 -0.320 0.000 0.729 151 A CB 0.848 19.822 19.000 -0.043 0.000 1.285 151 A HN 0.750 nan 8.150 nan 0.000 0.396 152 N N 1.256 119.915 118.700 -0.069 0.000 2.354 152 N HA -0.041 4.699 4.740 0.000 0.000 0.179 152 N C 1.688 177.277 175.510 0.132 0.000 1.021 152 N CA 1.456 54.542 53.050 0.061 0.000 0.887 152 N CB -0.037 38.556 38.487 0.176 0.000 0.974 152 N HN 0.804 nan 8.380 nan 0.000 0.437 153 A N -0.406 122.513 122.820 0.165 0.000 2.119 153 A HA 0.039 4.359 4.320 0.000 0.000 0.216 153 A C 2.375 180.126 177.584 0.278 0.000 1.152 153 A CA 1.077 53.299 52.037 0.307 0.000 0.708 153 A CB -0.263 18.966 19.000 0.381 0.000 0.805 153 A HN 0.247 nan 8.150 nan 0.000 0.460 154 S N -0.576 115.220 115.700 0.160 0.000 2.310 154 S HA 0.041 4.511 4.470 0.000 0.000 0.205 154 S C 1.862 176.516 174.600 0.091 0.000 1.020 154 S CA 0.823 59.092 58.200 0.114 0.000 0.939 154 S CB -0.391 62.889 63.200 0.133 0.000 0.919 154 S HN 0.501 nan 8.310 nan 0.000 0.501 155 I N 1.270 121.895 120.570 0.091 0.000 2.454 155 I HA -0.026 4.144 4.170 0.000 0.000 0.254 155 I C 2.035 178.205 176.117 0.089 0.000 1.156 155 I CA 1.284 62.615 61.300 0.050 0.000 1.433 155 I CB -0.546 37.457 38.000 0.005 0.000 1.082 155 I HN 0.479 nan 8.210 nan 0.000 0.432 156 G N 0.822 109.654 108.800 0.052 0.000 2.402 156 G HA2 -0.269 3.692 3.960 0.000 0.000 0.216 156 G HA3 -0.269 3.692 3.960 0.000 0.000 0.216 156 G C 1.526 176.388 174.900 -0.063 0.000 1.162 156 G CA 0.778 45.856 45.100 -0.037 0.000 0.777 156 G HN 0.393 nan 8.290 nan 0.000 0.539 157 L N -0.357 120.863 121.223 -0.006 0.000 2.109 157 L HA 0.199 4.539 4.340 0.000 0.000 0.207 157 L C 2.408 179.213 176.870 -0.108 0.000 1.086 157 L CA 1.283 56.050 54.840 -0.123 0.000 0.760 157 L CB -0.616 41.293 42.059 -0.251 0.000 0.910 157 L HN 0.208 nan 8.230 nan 0.000 0.437 158 F N 0.439 120.295 119.950 -0.157 0.000 2.120 158 F HA -0.147 4.380 4.527 0.000 0.000 0.300 158 F C 2.106 177.814 175.800 -0.154 0.000 1.095 158 F CA 1.807 59.712 58.000 -0.158 0.000 1.249 158 F CB -0.941 37.973 39.000 -0.143 0.000 0.995 158 F HN 0.121 nan 8.300 nan 0.000 0.480 159 G N -0.632 108.067 108.800 -0.168 0.000 2.408 159 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 159 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 159 G C 1.796 176.587 174.900 -0.183 0.000 1.150 159 G CA 0.663 45.644 45.100 -0.199 0.000 0.776 159 G HN 0.619 nan 8.290 nan 0.000 0.542 160 A N 0.092 122.761 122.820 -0.253 0.000 1.969 160 A HA 0.186 4.506 4.320 0.000 0.000 0.218 160 A C 2.269 179.682 177.584 -0.286 0.000 1.169 160 A CA 1.099 52.995 52.037 -0.234 0.000 0.635 160 A CB -0.238 18.586 19.000 -0.293 0.000 0.810 160 A HN 0.289 nan 8.150 nan 0.000 0.445 161 L N -0.728 120.280 121.223 -0.358 0.000 2.162 161 L HA 0.106 4.447 4.340 0.000 0.000 0.205 161 L C 2.839 179.457 176.870 -0.420 0.000 1.086 161 L CA 1.499 56.124 54.840 -0.358 0.000 0.778 161 L CB -1.008 40.855 42.059 -0.327 0.000 0.928 161 L HN 0.361 nan 8.230 nan 0.000 0.446 162 A N -1.410 121.060 122.820 -0.583 0.000 2.076 162 A HA -0.118 4.202 4.320 0.000 0.000 0.220 162 A C 2.285 179.647 177.584 -0.370 0.000 1.160 162 A CA 1.688 53.331 52.037 -0.657 0.000 0.653 162 A CB -0.480 17.963 19.000 -0.928 0.000 0.801 162 A HN 0.234 nan 8.150 nan 0.000 0.455 163 V N -1.157 118.597 119.914 -0.266 0.000 3.565 163 V HA -0.040 4.080 4.120 0.000 0.000 0.260 163 V C 2.078 178.091 176.094 -0.134 0.000 1.231 163 V CA 1.133 63.324 62.300 -0.182 0.000 1.100 163 V CB -0.122 31.616 31.823 -0.141 0.000 0.807 163 V HN 0.506 nan 8.190 nan 0.000 0.454 164 K N 0.696 121.022 120.400 -0.124 0.000 2.044 164 K HA -0.178 4.142 4.320 0.000 0.000 0.210 164 K C -0.206 176.370 176.600 -0.039 0.000 1.049 164 K CA 1.994 58.233 56.287 -0.080 0.000 0.927 164 K CB -1.265 31.192 32.500 -0.072 0.000 0.713 164 K HN 0.402 nan 8.250 nan 0.000 0.443 165 P HA -0.232 nan 4.420 nan 0.000 0.217 165 P C 1.370 178.656 177.300 -0.024 0.000 1.151 165 P CA 1.799 64.904 63.100 0.009 0.000 0.849 165 P CB -0.068 31.657 31.700 0.042 0.000 0.787 166 S N -1.742 113.928 115.700 -0.050 0.000 2.447 166 S HA 0.051 4.522 4.470 0.000 0.000 0.233 166 S C 1.765 176.330 174.600 -0.059 0.000 1.006 166 S CA 0.994 59.158 58.200 -0.061 0.000 0.957 166 S CB -1.432 61.715 63.200 -0.088 0.000 0.773 166 S HN 0.319 nan 8.310 nan 0.000 0.507 167 G N 0.675 109.440 108.800 -0.058 0.000 2.143 167 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 167 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 167 G C -0.095 174.767 174.900 -0.062 0.000 0.991 167 G CA 0.549 45.617 45.100 -0.053 0.000 0.689 167 G HN 0.548 nan 8.290 nan 0.000 0.522 168 M N 1.156 120.707 119.600 -0.081 0.000 2.578 168 M HA 0.527 5.007 4.480 0.000 0.000 0.321 168 M C 1.202 177.447 176.300 -0.092 0.000 1.182 168 M CA -0.311 54.935 55.300 -0.090 0.000 0.965 168 M CB 1.856 34.386 32.600 -0.117 0.000 1.694 168 M HN 0.463 nan 8.290 nan 0.000 0.461 169 S N 0.790 116.443 115.700 -0.078 0.000 2.587 169 S HA -0.025 4.445 4.470 0.000 0.000 0.260 169 S C 0.706 175.264 174.600 -0.070 0.000 1.353 169 S CA -0.139 58.027 58.200 -0.057 0.000 0.995 169 S CB 0.325 63.501 63.200 -0.040 0.000 0.912 169 S HN 0.756 nan 8.310 nan 0.000 0.568 170 Y N 0.698 120.917 120.300 -0.136 0.000 2.200 170 Y HA -0.080 4.470 4.550 0.000 0.000 0.290 170 Y C 2.619 178.422 175.900 -0.161 0.000 1.137 170 Y CA 2.125 60.130 58.100 -0.158 0.000 1.163 170 Y CB -0.427 37.938 38.460 -0.158 0.000 0.988 170 Y HN 0.982 nan 8.280 nan 0.000 0.518 171 E N -0.124 120.072 120.200 -0.006 0.000 2.070 171 E HA -0.317 4.033 4.350 0.000 0.000 0.197 171 E C 2.065 178.553 176.600 -0.187 0.000 1.004 171 E CA 1.948 58.309 56.400 -0.064 0.000 0.805 171 E CB -0.180 29.525 29.700 0.008 0.000 0.744 171 E HN 0.655 nan 8.360 nan 0.000 0.451 172 Q N -0.247 119.456 119.800 -0.162 0.000 2.119 172 Q HA -0.117 4.224 4.340 0.000 0.000 0.201 172 Q C 2.221 178.070 176.000 -0.251 0.000 0.972 172 Q CA 1.188 56.889 55.803 -0.169 0.000 0.847 172 Q CB -0.108 28.561 28.738 -0.115 0.000 0.903 172 Q HN 0.376 nan 8.270 nan 0.000 0.433 173 A N 0.801 123.426 122.820 -0.325 0.000 1.902 173 A HA -0.175 4.145 4.320 0.000 0.000 0.217 173 A C 2.003 179.302 177.584 -0.476 0.000 1.181 173 A CA 1.163 52.980 52.037 -0.365 0.000 0.623 173 A CB -0.404 18.359 19.000 -0.394 0.000 0.818 173 A HN 0.326 nan 8.150 nan 0.000 0.443 174 I N -0.389 119.758 120.570 -0.705 0.000 2.500 174 I HA -0.096 4.074 4.170 0.000 0.000 0.252 174 I C 2.294 177.794 176.117 -1.029 0.000 1.142 174 I CA 1.930 62.697 61.300 -0.888 0.000 1.451 174 I CB -0.548 36.800 38.000 -1.087 0.000 1.093 174 I HN 0.282 nan 8.210 nan 0.000 0.430 175 T N -0.440 113.679 114.554 -0.725 0.000 2.737 175 T HA -0.128 4.223 4.350 0.000 0.000 0.265 175 T C 1.816 176.358 174.700 -0.263 0.000 1.038 175 T CA 2.056 63.897 62.100 -0.432 0.000 1.144 175 T CB -0.436 68.336 68.868 -0.161 0.000 0.866 175 T HN 0.311 nan 8.240 nan 0.000 0.434 176 T N 1.898 116.308 114.554 -0.239 0.000 2.777 176 T HA -0.011 4.339 4.350 0.000 0.000 0.266 176 T C 1.935 176.547 174.700 -0.146 0.000 1.040 176 T CA 0.800 62.804 62.100 -0.160 0.000 1.141 176 T CB -0.012 68.768 68.868 -0.147 0.000 0.868 176 T HN 0.312 nan 8.240 nan 0.000 0.444 177 R N -0.006 120.378 120.500 -0.194 0.000 2.308 177 R HA 0.326 4.666 4.340 0.000 0.000 0.202 177 R C 1.281 177.524 176.300 -0.095 0.000 0.898 177 R CA 0.322 56.341 56.100 -0.134 0.000 1.046 177 R CB 0.416 30.631 30.300 -0.142 0.000 1.026 177 R HN 0.302 nan 8.270 nan 0.000 0.512 178 V N -0.587 119.237 119.914 -0.150 0.000 3.177 178 V HA 0.042 4.162 4.120 0.000 0.000 0.219 178 V C 1.496 177.672 176.094 0.136 0.000 1.344 178 V CA 0.373 62.677 62.300 0.007 0.000 1.324 178 V CB -0.273 31.556 31.823 0.010 0.000 1.165 178 V HN -0.091 nan 8.190 nan 0.000 0.510 179 F N 1.733 121.634 119.950 -0.082 0.000 2.022 179 F HA -0.020 4.507 4.527 0.000 0.000 0.293 179 F C 2.365 178.086 175.800 -0.132 0.000 1.142 179 F CA 1.379 59.286 58.000 -0.154 0.000 1.177 179 F CB -1.222 37.596 39.000 -0.305 0.000 0.982 179 F HN 0.052 nan 8.300 nan 0.000 0.473 180 K N -0.022 120.412 120.400 0.057 0.000 2.020 180 K HA -0.182 4.138 4.320 0.000 0.000 0.212 180 K C -0.226 176.373 176.600 -0.002 0.000 1.050 180 K CA 2.090 58.368 56.287 -0.015 0.000 0.929 180 K CB -1.583 30.891 32.500 -0.043 0.000 0.714 180 K HN 0.198 nan 8.250 nan 0.000 0.443 181 P HA -0.156 nan 4.420 nan 0.000 0.218 181 P C 0.924 178.249 177.300 0.041 0.000 1.148 181 P CA 1.301 64.411 63.100 0.017 0.000 0.822 181 P CB 0.033 31.746 31.700 0.021 0.000 0.784 182 L N -1.054 120.219 121.223 0.082 0.000 2.591 182 L HA 0.118 4.458 4.340 0.000 0.000 0.228 182 L C 0.670 177.579 176.870 0.065 0.000 1.133 182 L CA 0.184 55.089 54.840 0.108 0.000 0.880 182 L CB -0.581 41.612 42.059 0.223 0.000 1.033 182 L HN -0.029 nan 8.230 nan 0.000 0.450 183 K N 0.243 120.654 120.400 0.018 0.000 3.088 183 K HA -0.191 4.129 4.320 0.000 0.000 0.273 183 K C 0.026 176.587 176.600 -0.066 0.000 1.111 183 K CA 0.605 56.874 56.287 -0.030 0.000 0.803 183 K CB -2.021 30.468 32.500 -0.019 0.000 1.226 183 K HN 0.382 nan 8.250 nan 0.000 0.485 184 L N 1.673 122.856 121.223 -0.067 0.000 2.391 184 L HA 0.056 4.396 4.340 0.000 0.000 0.249 184 L C 0.977 177.613 176.870 -0.389 0.000 1.308 184 L CA -0.163 54.574 54.840 -0.172 0.000 1.209 184 L CB -0.019 41.952 42.059 -0.146 0.000 1.401 184 L HN 0.036 nan 8.230 nan 0.000 0.416 185 D N -0.437 119.724 120.400 -0.398 0.000 2.363 185 D HA -0.058 4.582 4.640 0.000 0.000 0.226 185 D C 1.002 176.644 176.300 -1.097 0.000 1.020 185 D CA 0.963 54.575 54.000 -0.646 0.000 0.892 185 D CB 0.320 40.823 40.800 -0.494 0.000 0.900 185 D HN 0.487 nan 8.370 nan 0.000 0.531 186 H N -0.425 118.274 119.070 -0.618 0.000 2.549 186 H HA 0.226 4.783 4.556 0.000 0.000 0.253 186 H C -0.245 174.557 175.328 -0.876 0.000 1.170 186 H CA -0.032 55.666 56.048 -0.583 0.000 0.943 186 H CB 0.472 30.117 29.762 -0.195 0.000 1.849 186 H HN -0.152 nan 8.280 nan 0.000 0.603 187 T N 1.007 114.798 114.554 -1.271 0.000 2.792 187 T HA 0.354 4.704 4.350 0.000 0.000 0.280 187 T C -0.578 173.238 174.700 -1.474 0.000 0.990 187 T CA -0.484 60.864 62.100 -1.255 0.000 0.960 187 T CB 1.189 69.236 68.868 -1.369 0.000 0.939 187 T HN 0.220 nan 8.240 nan 0.000 0.439 188 W N 2.207 123.134 121.300 -0.622 0.000 3.033 188 W HA 0.534 5.194 4.660 0.000 0.000 0.336 188 W C 0.329 176.706 176.519 -0.236 0.000 1.173 188 W CA -1.024 56.118 57.345 -0.338 0.000 1.185 188 W CB 0.829 30.116 29.460 -0.288 0.000 1.425 188 W HN 0.316 nan 8.180 nan 0.000 0.536 189 I N 1.406 122.087 120.570 0.183 0.000 2.494 189 I HA 0.028 4.198 4.170 0.000 0.000 0.250 189 I C -0.040 176.087 176.117 0.016 0.000 1.112 189 I CA 0.643 61.992 61.300 0.080 0.000 1.438 189 I CB -1.006 37.056 38.000 0.102 0.000 1.111 189 I HN 0.393 nan 8.210 nan 0.000 0.431 190 N N -0.153 118.564 118.700 0.030 0.000 2.399 190 N HA 0.335 5.075 4.740 0.000 0.000 0.280 190 N C -0.745 174.640 175.510 -0.207 0.000 1.008 190 N CA -0.287 52.718 53.050 -0.076 0.000 0.894 190 N CB 2.701 41.154 38.487 -0.057 0.000 1.273 190 N HN -0.258 nan 8.380 nan 0.000 0.486 191 V N 3.818 123.523 119.914 -0.348 0.000 2.446 191 V HA 0.167 4.287 4.120 0.000 0.000 0.276 191 V C -1.707 174.041 176.094 -0.577 0.000 1.030 191 V CA -1.112 60.806 62.300 -0.637 0.000 1.033 191 V CB -0.056 31.393 31.823 -0.624 0.000 0.993 191 V HN 0.601 nan 8.190 nan 0.000 0.477 192 P HA 0.035 nan 4.420 nan 0.000 0.267 192 P C 0.806 177.900 177.300 -0.344 0.000 1.201 192 P CA -0.185 62.592 63.100 -0.540 0.000 0.775 192 P CB 0.697 31.994 31.700 -0.672 0.000 0.854 193 K N 2.215 122.489 120.400 -0.209 0.000 2.103 193 K HA -0.166 4.155 4.320 0.000 0.000 0.207 193 K C 1.823 178.354 176.600 -0.116 0.000 1.048 193 K CA 1.859 58.069 56.287 -0.129 0.000 0.930 193 K CB -0.797 31.652 32.500 -0.085 0.000 0.716 193 K HN 0.476 nan 8.250 nan 0.000 0.444 194 A N 0.473 123.218 122.820 -0.125 0.000 2.067 194 A HA -0.089 4.231 4.320 0.000 0.000 0.219 194 A C 1.325 178.882 177.584 -0.045 0.000 1.158 194 A CA 1.363 53.358 52.037 -0.070 0.000 0.661 194 A CB -0.212 18.761 19.000 -0.046 0.000 0.801 194 A HN 0.270 nan 8.150 nan 0.000 0.452 195 E N -0.293 119.844 120.200 -0.104 0.000 2.474 195 E HA 0.016 4.366 4.350 0.000 0.000 0.195 195 E C 1.256 177.847 176.600 -0.014 0.000 1.039 195 E CA 0.056 56.453 56.400 -0.005 0.000 0.881 195 E CB -0.108 29.508 29.700 -0.140 0.000 0.970 195 E HN 0.726 nan 8.360 nan 0.000 0.486 196 E N 1.463 121.622 120.200 -0.068 0.000 2.086 196 E HA -0.237 4.113 4.350 0.000 0.000 0.200 196 E C 1.981 178.574 176.600 -0.011 0.000 1.012 196 E CA 1.399 57.784 56.400 -0.026 0.000 0.812 196 E CB -0.076 29.609 29.700 -0.026 0.000 0.743 196 E HN 0.222 nan 8.360 nan 0.000 0.453 197 A N 1.111 123.880 122.820 -0.085 0.000 1.997 197 A HA -0.238 4.083 4.320 0.000 0.000 0.221 197 A C 1.653 179.123 177.584 -0.189 0.000 1.172 197 A CA 1.705 53.648 52.037 -0.157 0.000 0.645 197 A CB -0.727 18.107 19.000 -0.277 0.000 0.813 197 A HN 0.345 nan 8.150 nan 0.000 0.454 198 H N -3.403 115.675 119.070 0.013 0.000 2.548 198 H HA 0.050 4.606 4.556 0.000 0.000 0.265 198 H C -0.217 175.125 175.328 0.024 0.000 0.969 198 H CA 0.106 56.158 56.048 0.007 0.000 1.155 198 H CB -0.084 29.667 29.762 -0.018 0.000 1.394 198 H HN 0.481 nan 8.280 nan 0.000 0.570 199 Y N 2.873 123.136 120.300 -0.062 0.000 2.584 199 Y HA 0.350 4.900 4.550 0.000 0.000 0.351 199 Y C 0.199 175.998 175.900 -0.169 0.000 1.030 199 Y CA -1.752 56.242 58.100 -0.177 0.000 1.332 199 Y CB -0.505 37.769 38.460 -0.311 0.000 1.148 199 Y HN 0.043 nan 8.280 nan 0.000 0.528 200 A N 6.036 128.933 122.820 0.129 0.000 2.483 200 A HA 0.139 4.460 4.320 0.000 0.000 0.238 200 A C -0.659 177.012 177.584 0.145 0.000 1.070 200 A CA -0.301 51.784 52.037 0.079 0.000 0.770 200 A CB 0.108 19.041 19.000 -0.113 0.000 1.008 200 A HN 0.856 nan 8.150 nan 0.000 0.497 201 W N 0.861 122.216 121.300 0.091 0.000 2.315 201 W HA 0.494 5.154 4.660 -0.000 0.000 0.316 201 W C 0.869 177.153 176.519 -0.390 0.000 1.211 201 W CA 0.463 57.683 57.345 -0.209 0.000 1.201 201 W CB 1.272 30.467 29.460 -0.442 0.000 1.184 201 W HN 0.941 nan 8.180 nan 0.000 0.544 202 G N 1.559 110.169 108.800 -0.317 0.000 2.476 202 G HA2 0.481 4.441 3.960 0.000 0.000 0.286 202 G HA3 0.481 4.441 3.960 0.000 0.000 0.286 202 G C -2.082 172.390 174.900 -0.712 0.000 1.177 202 G CA -0.441 44.147 45.100 -0.852 0.000 0.870 202 G HN 0.421 nan 8.290 nan 0.000 0.528 203 Y N -0.326 119.863 120.300 -0.184 0.000 2.361 203 Y HA 0.510 5.060 4.550 0.000 0.000 0.337 203 Y C 0.998 176.875 175.900 -0.038 0.000 0.965 203 Y CA -0.813 57.243 58.100 -0.073 0.000 1.091 203 Y CB 2.679 41.103 38.460 -0.061 0.000 1.182 203 Y HN 0.653 nan 8.280 nan 0.000 0.450 204 R N 0.532 121.072 120.500 0.067 0.000 2.006 204 R HA 0.236 4.576 4.340 0.000 0.000 0.181 204 R C -0.541 175.798 176.300 0.065 0.000 1.617 204 R CA 0.216 56.352 56.100 0.060 0.000 1.276 204 R CB 0.508 30.828 30.300 0.034 0.000 1.107 204 R HN 0.611 nan 8.270 nan 0.000 0.474 205 D N 0.092 120.522 120.400 0.049 0.000 3.018 205 D HA 0.217 4.857 4.640 0.000 0.000 0.331 205 D C -0.236 176.091 176.300 0.046 0.000 1.334 205 D CA 0.451 54.476 54.000 0.042 0.000 0.900 205 D CB 1.145 41.960 40.800 0.024 0.000 1.059 205 D HN 0.757 nan 8.370 nan 0.000 0.498 206 G N 1.521 110.370 108.800 0.081 0.000 2.179 206 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 206 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 206 G C 0.412 175.391 174.900 0.131 0.000 0.977 206 G CA 0.082 45.236 45.100 0.090 0.000 0.641 206 G HN 0.327 nan 8.290 nan 0.000 0.533 207 K N 0.430 120.888 120.400 0.097 0.000 2.221 207 K HA 0.717 5.037 4.320 0.000 0.000 0.258 207 K C 0.356 176.867 176.600 -0.148 0.000 0.944 207 K CA -0.019 56.264 56.287 -0.006 0.000 0.823 207 K CB 1.813 34.288 32.500 -0.041 0.000 1.113 207 K HN 0.478 nan 8.250 nan 0.000 0.431 208 A N 2.603 125.227 122.820 -0.327 0.000 2.396 208 A HA 0.418 4.738 4.320 0.000 0.000 0.279 208 A C -0.222 177.182 177.584 -0.299 0.000 1.165 208 A CA -0.375 51.285 52.037 -0.628 0.000 0.824 208 A CB -0.352 18.139 19.000 -0.848 0.000 1.100 208 A HN 0.515 nan 8.150 nan 0.000 0.516 209 V N 0.846 120.684 119.914 -0.126 0.000 3.007 209 V HA 0.725 4.846 4.120 0.000 0.000 0.311 209 V C -0.839 175.332 176.094 0.129 0.000 1.120 209 V CA -0.978 61.353 62.300 0.052 0.000 0.980 209 V CB 1.802 33.645 31.823 0.034 0.000 1.033 209 V HN 0.828 nan 8.190 nan 0.000 0.429 210 H N 0.907 120.079 119.070 0.171 0.000 2.670 210 H HA 0.650 5.206 4.556 0.000 0.000 0.361 210 H C -0.215 175.192 175.328 0.132 0.000 1.169 210 H CA -0.776 55.312 56.048 0.068 0.000 1.198 210 H CB 2.238 31.882 29.762 -0.196 0.000 1.700 210 H HN 0.795 nan 8.280 nan 0.000 0.542 211 V N 2.023 122.113 119.914 0.294 0.000 2.673 211 V HA 0.039 4.160 4.120 0.000 0.000 0.303 211 V C 0.151 176.357 176.094 0.187 0.000 1.046 211 V CA 0.339 62.773 62.300 0.224 0.000 1.126 211 V CB 0.505 32.465 31.823 0.229 0.000 0.934 211 V HN 0.783 nan 8.190 nan 0.000 0.487 212 S N 6.959 122.755 115.700 0.160 0.000 2.610 212 S HA 0.508 4.978 4.470 0.000 0.000 0.273 212 S C -2.290 172.398 174.600 0.147 0.000 1.274 212 S CA -0.683 57.595 58.200 0.131 0.000 1.023 212 S CB 1.253 64.513 63.200 0.100 0.000 0.962 212 S HN 0.810 nan 8.310 nan 0.000 0.523 213 P HA 0.452 nan 4.420 nan 0.000 0.269 213 P C -0.286 177.077 177.300 0.106 0.000 1.209 213 P CA -0.058 63.095 63.100 0.089 0.000 0.776 213 P CB 0.499 32.232 31.700 0.055 0.000 0.876 214 G N 1.361 110.223 108.800 0.102 0.000 2.673 214 G HA2 0.476 4.436 3.960 0.000 0.000 0.292 214 G HA3 0.476 4.436 3.960 0.000 0.000 0.292 214 G C -1.203 173.729 174.900 0.054 0.000 1.450 214 G CA -0.694 44.478 45.100 0.119 0.000 0.837 214 G HN 0.228 nan 8.290 nan 0.000 0.505 215 M N 1.551 121.180 119.600 0.049 0.000 2.238 215 M HA 0.243 4.723 4.480 0.000 0.000 0.350 215 M C 1.135 177.431 176.300 -0.007 0.000 1.321 215 M CA 0.244 55.557 55.300 0.022 0.000 1.097 215 M CB 0.082 32.712 32.600 0.050 0.000 1.713 215 M HN 0.712 nan 8.290 nan 0.000 0.455 216 L N 1.435 122.609 121.223 -0.080 0.000 4.291 216 L HA -0.330 4.011 4.340 0.000 0.000 0.413 216 L C 1.050 177.715 176.870 -0.342 0.000 1.162 216 L CA 0.554 55.294 54.840 -0.167 0.000 0.961 216 L CB -1.867 40.164 42.059 -0.046 0.000 2.095 216 L HN 0.732 nan 8.230 nan 0.000 0.838 217 D N 0.515 120.661 120.400 -0.423 0.000 2.084 217 D HA -0.122 4.518 4.640 0.000 0.000 0.196 217 D C 1.964 177.823 176.300 -0.735 0.000 0.985 217 D CA 1.441 54.886 54.000 -0.924 0.000 0.826 217 D CB -0.162 40.327 40.800 -0.518 0.000 0.978 217 D HN 0.393 nan 8.370 nan 0.000 0.456 218 A N 0.800 123.374 122.820 -0.410 0.000 1.917 218 A HA -0.250 4.070 4.320 0.000 0.000 0.219 218 A C 2.125 179.468 177.584 -0.402 0.000 1.182 218 A CA 2.154 54.025 52.037 -0.276 0.000 0.633 218 A CB -0.772 18.170 19.000 -0.097 0.000 0.819 218 A HN 0.251 nan 8.150 nan 0.000 0.448 219 E N -0.623 119.175 120.200 -0.670 0.000 2.208 219 E HA 0.136 4.486 4.350 0.000 0.000 0.193 219 E C 1.926 178.346 176.600 -0.299 0.000 0.988 219 E CA 1.200 57.159 56.400 -0.734 0.000 0.828 219 E CB -0.196 29.059 29.700 -0.741 0.000 0.763 219 E HN 0.615 nan 8.360 nan 0.000 0.478 220 A N -0.610 122.039 122.820 -0.286 0.000 2.055 220 A HA 0.128 4.448 4.320 0.000 0.000 0.205 220 A C 0.775 178.419 177.584 0.100 0.000 1.235 220 A CA 0.546 52.545 52.037 -0.063 0.000 0.822 220 A CB 0.088 19.121 19.000 0.055 0.000 0.903 220 A HN 0.386 nan 8.150 nan 0.000 0.473 221 Y N -4.466 115.848 120.300 0.023 0.000 3.091 221 Y HA 0.415 4.965 4.550 0.000 0.000 0.284 221 Y C 0.959 176.874 175.900 0.025 0.000 1.048 221 Y CA -0.434 57.696 58.100 0.050 0.000 1.290 221 Y CB -0.511 37.989 38.460 0.066 0.000 1.331 221 Y HN -0.004 nan 8.280 nan 0.000 0.597 222 G N 0.826 109.539 108.800 -0.145 0.000 3.042 222 G HA2 0.293 4.253 3.960 0.000 0.000 0.212 222 G HA3 0.293 4.253 3.960 0.000 0.000 0.212 222 G C -0.025 174.834 174.900 -0.069 0.000 1.166 222 G CA 0.250 45.288 45.100 -0.102 0.000 0.767 222 G HN 0.110 nan 8.290 nan 0.000 0.546 223 V N 0.709 120.577 119.914 -0.076 0.000 2.614 223 V HA 0.332 4.453 4.120 0.000 0.000 0.291 223 V C -0.173 175.798 176.094 -0.204 0.000 1.049 223 V CA -0.204 61.991 62.300 -0.175 0.000 1.038 223 V CB 1.237 32.866 31.823 -0.323 0.000 0.980 223 V HN 0.155 nan 8.190 nan 0.000 0.481 224 K N 2.787 123.027 120.400 -0.266 0.000 2.259 224 K HA 0.832 5.152 4.320 0.000 0.000 0.252 224 K C -0.357 176.084 176.600 -0.266 0.000 0.936 224 K CA -0.435 55.681 56.287 -0.285 0.000 0.810 224 K CB 2.189 34.429 32.500 -0.433 0.000 1.143 224 K HN 0.885 nan 8.250 nan 0.000 0.427 225 T N -0.482 113.973 114.554 -0.164 0.000 2.711 225 T HA 0.409 4.759 4.350 0.000 0.000 0.302 225 T C -1.136 173.585 174.700 0.036 0.000 1.373 225 T CA -1.231 60.789 62.100 -0.132 0.000 1.000 225 T CB 0.929 69.706 68.868 -0.153 0.000 1.483 225 T HN 0.675 nan 8.240 nan 0.000 0.499 226 N N -1.220 117.497 118.700 0.029 0.000 2.592 226 N HA 0.534 5.274 4.740 0.000 0.000 0.292 226 N C 0.697 176.257 175.510 0.084 0.000 1.260 226 N CA -0.992 52.121 53.050 0.106 0.000 0.910 226 N CB 0.617 39.105 38.487 0.002 0.000 1.257 226 N HN 0.318 nan 8.380 nan 0.000 0.569 227 V N -0.096 119.863 119.914 0.075 0.000 2.667 227 V HA -0.147 3.973 4.120 0.000 0.000 0.252 227 V C 1.928 178.067 176.094 0.074 0.000 1.065 227 V CA 1.686 64.033 62.300 0.078 0.000 1.083 227 V CB -0.807 31.076 31.823 0.101 0.000 0.692 227 V HN 0.638 nan 8.190 nan 0.000 0.468 228 Q N -0.602 119.120 119.800 -0.130 0.000 2.016 228 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 228 Q C 1.997 178.037 176.000 0.068 0.000 0.978 228 Q CA 1.938 57.672 55.803 -0.114 0.000 0.833 228 Q CB -0.300 28.280 28.738 -0.262 0.000 0.895 228 Q HN 0.548 nan 8.270 nan 0.000 0.427 229 D N 0.195 120.611 120.400 0.026 0.000 2.123 229 D HA -0.142 4.498 4.640 0.000 0.000 0.196 229 D C 1.789 178.181 176.300 0.153 0.000 0.992 229 D CA 1.092 55.121 54.000 0.048 0.000 0.833 229 D CB -0.038 40.724 40.800 -0.063 0.000 0.954 229 D HN 0.121 nan 8.370 nan 0.000 0.455 230 M N 0.228 119.931 119.600 0.172 0.000 2.175 230 M HA 0.008 4.488 4.480 0.000 0.000 0.264 230 M C 2.166 178.636 176.300 0.284 0.000 1.063 230 M CA 0.673 56.141 55.300 0.281 0.000 1.119 230 M CB -1.002 31.742 32.600 0.240 0.000 1.377 230 M HN -0.008 nan 8.290 nan 0.000 0.415 231 A N -0.976 121.990 122.820 0.244 0.000 1.902 231 A HA -0.158 4.162 4.320 0.000 0.000 0.217 231 A C 2.493 180.154 177.584 0.128 0.000 1.181 231 A CA 2.243 54.399 52.037 0.198 0.000 0.623 231 A CB -0.969 18.198 19.000 0.280 0.000 0.818 231 A HN 0.475 nan 8.150 nan 0.000 0.443 232 S N -1.607 114.189 115.700 0.160 0.000 2.356 232 S HA -0.196 4.274 4.470 0.000 0.000 0.223 232 S C 1.755 176.443 174.600 0.147 0.000 1.032 232 S CA 1.404 59.676 58.200 0.121 0.000 1.005 232 S CB -0.495 62.783 63.200 0.130 0.000 0.867 232 S HN 0.741 nan 8.310 nan 0.000 0.449 233 W N 1.683 123.004 121.300 0.034 0.000 2.338 233 W HA -0.158 4.502 4.660 0.000 0.000 0.304 233 W C 1.698 178.175 176.519 -0.070 0.000 1.212 233 W CA 1.424 58.785 57.345 0.026 0.000 1.264 233 W CB -0.347 29.179 29.460 0.110 0.000 1.142 233 W HN 0.181 nan 8.180 nan 0.000 0.512 234 V N 1.747 121.607 119.914 -0.089 0.000 2.358 234 V HA -0.348 3.773 4.120 0.000 0.000 0.246 234 V C 2.431 178.196 176.094 -0.549 0.000 1.047 234 V CA 2.238 64.296 62.300 -0.403 0.000 1.035 234 V CB -0.839 30.888 31.823 -0.160 0.000 0.658 234 V HN 0.165 nan 8.190 nan 0.000 0.452 235 M N -0.654 118.767 119.600 -0.299 0.000 2.080 235 M HA -0.165 4.315 4.480 0.000 0.000 0.260 235 M C 2.242 178.337 176.300 -0.340 0.000 1.068 235 M CA 1.640 56.767 55.300 -0.288 0.000 1.109 235 M CB -0.605 31.904 32.600 -0.151 0.000 1.342 235 M HN 0.205 nan 8.290 nan 0.000 0.405 236 V N 0.897 120.630 119.914 -0.301 0.000 2.407 236 V HA -0.266 3.854 4.120 0.000 0.000 0.248 236 V C 2.024 177.855 176.094 -0.438 0.000 1.055 236 V CA 1.728 63.856 62.300 -0.287 0.000 1.049 236 V CB -0.763 30.953 31.823 -0.178 0.000 0.662 236 V HN 0.511 nan 8.190 nan 0.000 0.455 237 N N -0.778 117.505 118.700 -0.696 0.000 2.300 237 N HA -0.055 4.685 4.740 0.000 0.000 0.179 237 N C 1.858 176.876 175.510 -0.820 0.000 1.016 237 N CA 1.191 53.751 53.050 -0.816 0.000 0.876 237 N CB -0.062 37.749 38.487 -1.126 0.000 0.979 237 N HN 0.417 nan 8.380 nan 0.000 0.432 238 M N 0.642 119.644 119.600 -0.998 0.000 2.117 238 M HA -0.086 4.394 4.480 0.000 0.000 0.262 238 M C 0.509 176.590 176.300 -0.365 0.000 1.065 238 M CA 1.466 56.335 55.300 -0.718 0.000 1.114 238 M CB 0.273 32.502 32.600 -0.618 0.000 1.361 238 M HN -0.196 nan 8.290 nan 0.000 0.408 239 K N -0.668 119.530 120.400 -0.337 0.000 2.624 239 K HA 0.232 4.552 4.320 0.000 0.000 0.200 239 K C -2.312 174.173 176.600 -0.192 0.000 1.036 239 K CA -1.553 54.602 56.287 -0.221 0.000 1.029 239 K CB 1.125 33.516 32.500 -0.181 0.000 1.317 239 K HN -0.093 nan 8.250 nan 0.000 0.555 240 P HA -0.188 nan 4.420 nan 0.000 0.217 240 P C 0.502 177.744 177.300 -0.098 0.000 1.150 240 P CA 1.108 64.125 63.100 -0.139 0.000 0.832 240 P CB 0.147 31.776 31.700 -0.118 0.000 0.787 241 D N -0.457 119.889 120.400 -0.090 0.000 2.392 241 D HA -0.082 4.558 4.640 0.000 0.000 0.228 241 D C 1.158 177.419 176.300 -0.066 0.000 1.003 241 D CA 0.837 54.796 54.000 -0.068 0.000 0.917 241 D CB -0.453 40.309 40.800 -0.063 0.000 0.890 241 D HN 0.255 nan 8.370 nan 0.000 0.532 242 S N -0.338 115.315 115.700 -0.078 0.000 2.496 242 S HA 0.054 4.524 4.470 0.000 0.000 0.224 242 S C 1.171 175.739 174.600 -0.053 0.000 0.996 242 S CA -0.348 57.811 58.200 -0.069 0.000 0.927 242 S CB -0.101 63.049 63.200 -0.083 0.000 0.774 242 S HN 0.194 nan 8.310 nan 0.000 0.524 243 L N 1.520 122.711 121.223 -0.052 0.000 2.416 243 L HA 0.372 4.712 4.340 0.000 0.000 0.262 243 L C 0.712 177.564 176.870 -0.030 0.000 1.093 243 L CA -0.766 54.052 54.840 -0.036 0.000 0.801 243 L CB 0.825 42.864 42.059 -0.033 0.000 1.191 243 L HN 0.267 nan 8.230 nan 0.000 0.459 244 Q N 0.163 119.951 119.800 -0.021 0.000 2.535 244 Q HA -0.016 4.324 4.340 0.000 0.000 0.228 244 Q C -0.545 175.444 176.000 -0.017 0.000 1.062 244 Q CA -0.285 55.507 55.803 -0.019 0.000 0.967 244 Q CB 0.541 29.270 28.738 -0.014 0.000 1.273 244 Q HN 0.351 nan 8.270 nan 0.000 0.554 245 D N 1.687 122.077 120.400 -0.016 0.000 2.545 245 D HA 0.031 4.671 4.640 0.000 0.000 0.227 245 D C -0.614 175.681 176.300 -0.009 0.000 1.150 245 D CA 0.219 54.211 54.000 -0.014 0.000 1.046 245 D CB -0.604 40.188 40.800 -0.014 0.000 1.098 245 D HN 0.508 nan 8.370 nan 0.000 0.502 246 N N -1.511 117.185 118.700 -0.006 0.000 3.229 246 N HA 0.120 4.860 4.740 0.000 0.000 0.315 246 N C 1.058 176.570 175.510 0.004 0.000 1.520 246 N CA -0.617 52.432 53.050 -0.002 0.000 0.769 246 N CB 0.710 39.196 38.487 -0.003 0.000 1.766 246 N HN -0.048 nan 8.380 nan 0.000 0.618 247 S N 0.150 115.853 115.700 0.005 0.000 2.370 247 S HA -0.184 4.286 4.470 0.000 0.000 0.226 247 S C 1.859 176.472 174.600 0.022 0.000 1.033 247 S CA 0.620 58.827 58.200 0.012 0.000 1.011 247 S CB -0.771 62.433 63.200 0.007 0.000 0.852 247 S HN 0.526 nan 8.310 nan 0.000 0.457 248 L N 1.529 122.765 121.223 0.022 0.000 2.012 248 L HA -0.114 4.226 4.340 0.000 0.000 0.210 248 L C 3.180 180.070 176.870 0.032 0.000 1.073 248 L CA 2.038 56.901 54.840 0.039 0.000 0.748 248 L CB -0.394 41.690 42.059 0.042 0.000 0.891 248 L HN 0.444 nan 8.230 nan 0.000 0.431 249 R N 0.207 120.714 120.500 0.012 0.000 2.115 249 R HA -0.242 4.098 4.340 0.000 0.000 0.230 249 R C 2.232 178.532 176.300 0.002 0.000 1.111 249 R CA 1.668 57.764 56.100 -0.006 0.000 0.976 249 R CB -0.051 30.237 30.300 -0.019 0.000 0.870 249 R HN 0.160 nan 8.270 nan 0.000 0.445 250 K N 0.023 120.431 120.400 0.014 0.000 2.057 250 K HA -0.026 4.295 4.320 0.000 0.000 0.206 250 K C 1.939 178.566 176.600 0.046 0.000 1.050 250 K CA 1.659 57.959 56.287 0.022 0.000 0.935 250 K CB -0.638 31.877 32.500 0.025 0.000 0.715 250 K HN 0.306 nan 8.250 nan 0.000 0.439 251 G N 1.085 109.920 108.800 0.059 0.000 2.476 251 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 251 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 251 G C 1.467 176.432 174.900 0.108 0.000 1.164 251 G CA 1.220 46.376 45.100 0.094 0.000 0.768 251 G HN 0.276 nan 8.290 nan 0.000 0.560 252 L N 0.271 121.532 121.223 0.064 0.000 2.012 252 L HA -0.120 4.220 4.340 0.000 0.000 0.210 252 L C 3.202 180.088 176.870 0.027 0.000 1.073 252 L CA 1.770 56.623 54.840 0.023 0.000 0.748 252 L CB -0.880 41.136 42.059 -0.071 0.000 0.891 252 L HN 0.173 nan 8.230 nan 0.000 0.431 253 T N 0.023 114.585 114.554 0.013 0.000 2.833 253 T HA -0.109 4.241 4.350 0.000 0.000 0.269 253 T C 1.891 176.623 174.700 0.054 0.000 1.054 253 T CA 1.058 63.162 62.100 0.007 0.000 1.135 253 T CB -0.123 68.738 68.868 -0.011 0.000 0.869 253 T HN 0.205 nan 8.240 nan 0.000 0.466 254 L N 0.338 121.626 121.223 0.108 0.000 2.341 254 L HA 0.163 4.503 4.340 0.000 0.000 0.214 254 L C 2.860 179.910 176.870 0.300 0.000 1.115 254 L CA 0.544 55.498 54.840 0.189 0.000 0.820 254 L CB -0.457 41.722 42.059 0.200 0.000 0.944 254 L HN 0.214 nan 8.230 nan 0.000 0.452 255 A N -0.650 122.331 122.820 0.268 0.000 2.014 255 A HA -0.140 4.181 4.320 0.000 0.000 0.218 255 A C 2.032 179.863 177.584 0.412 0.000 1.163 255 A CA 0.978 53.235 52.037 0.366 0.000 0.652 255 A CB -0.147 19.106 19.000 0.420 0.000 0.808 255 A HN 0.438 nan 8.150 nan 0.000 0.449 256 Q N -0.073 119.872 119.800 0.241 0.000 2.319 256 Q HA 0.201 4.541 4.340 0.000 0.000 0.202 256 Q C -0.099 175.941 176.000 0.068 0.000 0.896 256 Q CA -0.313 55.573 55.803 0.138 0.000 0.942 256 Q CB 0.432 29.153 28.738 -0.028 0.000 1.083 256 Q HN 0.490 nan 8.270 nan 0.000 0.510 257 S N 0.733 116.461 115.700 0.048 0.000 2.593 257 S HA 0.249 4.719 4.470 0.000 0.000 0.269 257 S C 0.044 174.487 174.600 -0.262 0.000 1.334 257 S CA -0.239 57.854 58.200 -0.178 0.000 1.015 257 S CB 0.618 63.628 63.200 -0.316 0.000 0.912 257 S HN 0.195 nan 8.310 nan 0.000 0.541 258 R N 1.101 121.402 120.500 -0.331 0.000 2.207 258 R HA 0.274 4.614 4.340 0.000 0.000 0.334 258 R C -0.400 175.724 176.300 -0.292 0.000 1.013 258 R CA -0.044 55.957 56.100 -0.164 0.000 0.858 258 R CB 0.372 30.575 30.300 -0.163 0.000 1.094 258 R HN 0.666 nan 8.270 nan 0.000 0.457 259 Y N 0.550 120.892 120.300 0.070 0.000 2.524 259 Y HA 0.219 4.769 4.550 0.000 0.000 0.270 259 Y C -0.078 175.586 175.900 -0.395 0.000 1.094 259 Y CA -0.039 57.980 58.100 -0.134 0.000 1.276 259 Y CB 0.599 39.026 38.460 -0.057 0.000 1.130 259 Y HN 0.457 nan 8.280 nan 0.000 0.536 260 W N -0.245 121.214 121.300 0.266 0.000 3.217 260 W HA 0.549 5.209 4.660 0.000 0.000 0.323 260 W C -0.691 175.928 176.519 0.166 0.000 1.216 260 W CA -1.224 56.230 57.345 0.183 0.000 1.194 260 W CB 1.169 30.715 29.460 0.143 0.000 1.397 260 W HN -0.513 nan 8.180 nan 0.000 0.537 261 R N 1.651 122.338 120.500 0.313 0.000 2.445 261 R HA 0.758 5.098 4.340 0.000 0.000 0.308 261 R C -1.726 174.600 176.300 0.043 0.000 0.961 261 R CA -0.580 55.523 56.100 0.006 0.000 0.862 261 R CB 1.536 31.792 30.300 -0.075 0.000 1.144 261 R HN 0.436 nan 8.270 nan 0.000 0.447 262 V N 5.463 125.351 119.914 -0.042 0.000 2.385 262 V HA 0.394 4.514 4.120 0.000 0.000 0.277 262 V C 0.855 176.908 176.094 -0.068 0.000 1.012 262 V CA 0.249 62.536 62.300 -0.021 0.000 0.832 262 V CB 0.743 32.569 31.823 0.006 0.000 1.028 262 V HN 1.177 nan 8.190 nan 0.000 0.436 263 G N 4.967 113.727 108.800 -0.068 0.000 2.565 263 G HA2 -0.163 3.797 3.960 0.000 0.000 0.295 263 G HA3 -0.163 3.797 3.960 0.000 0.000 0.295 263 G C 0.919 175.755 174.900 -0.107 0.000 1.165 263 G CA 0.488 45.547 45.100 -0.068 0.000 0.977 263 G HN 1.642 nan 8.290 nan 0.000 0.546 264 A N 0.248 123.017 122.820 -0.086 0.000 2.337 264 A HA 0.668 4.989 4.320 0.000 0.000 0.227 264 A C 1.067 178.584 177.584 -0.112 0.000 1.259 264 A CA 1.449 53.432 52.037 -0.089 0.000 0.870 264 A CB -0.421 18.554 19.000 -0.043 0.000 0.927 264 A HN 1.479 nan 8.150 nan 0.000 0.497 265 M N -1.940 117.565 119.600 -0.157 0.000 2.753 265 M HA 0.780 5.260 4.480 0.000 0.000 0.299 265 M C -1.556 174.520 176.300 -0.374 0.000 1.219 265 M CA -0.537 54.709 55.300 -0.089 0.000 0.900 265 M CB 1.256 33.900 32.600 0.073 0.000 1.628 265 M HN 0.066 nan 8.290 nan 0.000 0.502 266 Y N -0.041 120.372 120.300 0.189 0.000 2.492 266 Y HA 0.433 4.983 4.550 0.000 0.000 0.346 266 Y C -0.962 175.101 175.900 0.272 0.000 0.997 266 Y CA -0.713 57.512 58.100 0.208 0.000 1.025 266 Y CB 2.014 40.566 38.460 0.154 0.000 1.263 266 Y HN 0.641 nan 8.280 nan 0.000 0.454 267 Q N 1.633 121.715 119.800 0.471 0.000 2.303 267 Q HA 0.605 4.945 4.340 0.000 0.000 0.257 267 Q C -0.043 176.263 176.000 0.509 0.000 0.941 267 Q CA -0.203 55.874 55.803 0.457 0.000 0.931 267 Q CB 1.311 30.315 28.738 0.443 0.000 1.215 267 Q HN 0.892 nan 8.270 nan 0.000 0.437 268 G N 2.143 111.212 108.800 0.447 0.000 2.736 268 G HA2 0.448 4.409 3.960 0.000 0.000 0.229 268 G HA3 0.448 4.409 3.960 0.000 0.000 0.229 268 G C -1.193 173.870 174.900 0.272 0.000 1.380 268 G CA -0.599 44.793 45.100 0.487 0.000 1.040 268 G HN 0.490 nan 8.290 nan 0.000 0.568 269 L N 1.114 122.470 121.223 0.221 0.000 2.287 269 L HA 0.510 4.850 4.340 0.000 0.000 0.280 269 L C 1.276 178.191 176.870 0.074 0.000 1.055 269 L CA 1.001 55.843 54.840 0.002 0.000 0.863 269 L CB 0.105 42.179 42.059 0.025 0.000 1.245 269 L HN 1.129 nan 8.230 nan 0.000 0.432 270 G N 2.085 110.897 108.800 0.019 0.000 3.909 270 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 270 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 270 G C 0.255 175.178 174.900 0.039 0.000 1.404 270 G CA 0.031 45.133 45.100 0.003 0.000 0.905 270 G HN 0.431 nan 8.290 nan 0.000 0.589 271 W N 2.417 123.847 121.300 0.216 0.000 2.170 271 W HA 0.558 5.218 4.660 0.000 0.000 0.342 271 W C 0.876 177.541 176.519 0.243 0.000 1.294 271 W CA 0.044 57.512 57.345 0.205 0.000 1.246 271 W CB 0.363 29.917 29.460 0.157 0.000 1.156 271 W HN 0.349 nan 8.180 nan 0.000 0.572 272 E N 1.483 122.023 120.200 0.566 0.000 2.288 272 E HA 0.592 4.942 4.350 0.000 0.000 0.268 272 E C -0.969 175.924 176.600 0.488 0.000 0.885 272 E CA -1.208 55.492 56.400 0.500 0.000 0.767 272 E CB 1.879 31.864 29.700 0.475 0.000 1.220 272 E HN 0.185 nan 8.360 nan 0.000 0.427 273 M N 2.019 121.860 119.600 0.401 0.000 2.433 273 M HA 0.416 4.896 4.480 0.000 0.000 0.290 273 M C -1.674 174.833 176.300 0.344 0.000 1.173 273 M CA -0.347 55.131 55.300 0.296 0.000 0.905 273 M CB 1.785 34.518 32.600 0.222 0.000 1.692 273 M HN 0.275 nan 8.290 nan 0.000 0.462 274 L N 1.220 122.612 121.223 0.280 0.000 2.354 274 L HA 0.574 4.914 4.340 0.000 0.000 0.264 274 L C -0.292 176.754 176.870 0.293 0.000 1.008 274 L CA -0.500 54.512 54.840 0.285 0.000 0.819 274 L CB 2.004 44.153 42.059 0.151 0.000 1.339 274 L HN 0.649 nan 8.230 nan 0.000 0.420 275 N N 0.887 119.755 118.700 0.281 0.000 2.492 275 N HA 0.063 4.803 4.740 0.000 0.000 0.260 275 N C -1.300 174.370 175.510 0.267 0.000 1.215 275 N CA -0.070 53.115 53.050 0.223 0.000 0.923 275 N CB 0.849 39.438 38.487 0.170 0.000 1.092 275 N HN 0.519 nan 8.380 nan 0.000 0.448 276 W N 4.370 125.719 121.300 0.082 0.000 2.551 276 W HA 0.365 5.026 4.660 0.000 0.000 0.330 276 W C -2.218 174.339 176.519 0.063 0.000 1.063 276 W CA -1.927 55.477 57.345 0.098 0.000 1.222 276 W CB 0.947 30.472 29.460 0.108 0.000 1.349 276 W HN 0.432 nan 8.180 nan 0.000 0.536 277 P HA 0.061 nan 4.420 nan 0.000 0.270 277 P C -1.144 175.922 177.300 -0.390 0.000 1.227 277 P CA -0.050 62.272 63.100 -1.296 0.000 0.788 277 P CB 1.465 32.670 31.700 -0.825 0.000 0.926 278 V N 0.655 120.361 119.914 -0.347 0.000 2.789 278 V HA 0.242 4.362 4.120 0.000 0.000 0.311 278 V C -0.965 175.082 176.094 -0.079 0.000 1.073 278 V CA -0.807 61.456 62.300 -0.062 0.000 0.921 278 V CB 1.970 33.846 31.823 0.088 0.000 1.009 278 V HN 0.614 nan 8.190 nan 0.000 0.426 279 D N 4.821 125.142 120.400 -0.132 0.000 2.343 279 D HA 0.448 5.088 4.640 0.000 0.000 0.255 279 D C 0.975 177.053 176.300 -0.369 0.000 1.187 279 D CA 0.627 54.520 54.000 -0.177 0.000 0.875 279 D CB 1.969 42.682 40.800 -0.145 0.000 1.136 279 D HN 0.697 nan 8.370 nan 0.000 0.469 280 A N 4.948 127.398 122.820 -0.616 0.000 1.873 280 A HA -0.239 4.081 4.320 0.000 0.000 0.218 280 A C 1.997 179.230 177.584 -0.584 0.000 1.193 280 A CA 1.986 53.321 52.037 -1.169 0.000 0.629 280 A CB -0.545 17.717 19.000 -1.230 0.000 0.826 280 A HN 0.642 nan 8.150 nan 0.000 0.447 281 K N -0.863 119.324 120.400 -0.355 0.000 2.020 281 K HA -0.138 4.182 4.320 0.000 0.000 0.212 281 K C 2.101 178.582 176.600 -0.198 0.000 1.050 281 K CA 2.316 58.467 56.287 -0.227 0.000 0.929 281 K CB -0.737 31.669 32.500 -0.157 0.000 0.714 281 K HN 0.465 nan 8.250 nan 0.000 0.443 282 T N -0.094 114.347 114.554 -0.189 0.000 2.684 282 T HA -0.160 4.191 4.350 0.000 0.000 0.267 282 T C 1.751 176.364 174.700 -0.146 0.000 1.036 282 T CA 1.523 63.536 62.100 -0.144 0.000 1.148 282 T CB -0.366 68.426 68.868 -0.127 0.000 0.863 282 T HN 0.099 nan 8.240 nan 0.000 0.436 283 V N 0.901 120.680 119.914 -0.225 0.000 2.453 283 V HA -0.099 4.021 4.120 0.000 0.000 0.247 283 V C 2.448 178.468 176.094 -0.124 0.000 1.048 283 V CA 1.257 63.436 62.300 -0.201 0.000 1.049 283 V CB -0.329 31.226 31.823 -0.445 0.000 0.672 283 V HN 0.330 nan 8.190 nan 0.000 0.457 284 V N 0.487 120.287 119.914 -0.190 0.000 2.237 284 V HA -0.242 3.878 4.120 0.000 0.000 0.245 284 V C 2.471 178.505 176.094 -0.099 0.000 1.046 284 V CA 2.508 64.723 62.300 -0.141 0.000 1.007 284 V CB -0.805 30.917 31.823 -0.169 0.000 0.638 284 V HN 0.642 nan 8.190 nan 0.000 0.445 285 E N 0.577 120.717 120.200 -0.099 0.000 2.110 285 E HA -0.163 4.187 4.350 0.000 0.000 0.193 285 E C 2.303 178.868 176.600 -0.058 0.000 0.988 285 E CA 1.301 57.656 56.400 -0.075 0.000 0.804 285 E CB -0.523 29.132 29.700 -0.075 0.000 0.745 285 E HN 0.648 nan 8.360 nan 0.000 0.458 286 G N 1.633 110.404 108.800 -0.048 0.000 2.448 286 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 286 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 286 G C 1.720 176.611 174.900 -0.016 0.000 1.127 286 G CA 1.100 46.188 45.100 -0.020 0.000 0.766 286 G HN 0.382 nan 8.290 nan 0.000 0.552 287 S N -0.273 115.413 115.700 -0.023 0.000 2.527 287 S HA 0.019 4.489 4.470 0.000 0.000 0.222 287 S C 0.833 175.377 174.600 -0.094 0.000 0.985 287 S CA 0.126 58.292 58.200 -0.057 0.000 0.921 287 S CB -0.018 63.141 63.200 -0.067 0.000 0.772 287 S HN 0.277 nan 8.310 nan 0.000 0.529 288 D N 2.106 122.458 120.400 -0.079 0.000 2.472 288 D HA 0.057 4.697 4.640 0.000 0.000 0.237 288 D C 0.605 176.859 176.300 -0.076 0.000 1.141 288 D CA 0.104 54.059 54.000 -0.075 0.000 0.875 288 D CB 0.509 41.274 40.800 -0.059 0.000 1.192 288 D HN 0.050 nan 8.370 nan 0.000 0.450 289 N N 3.111 121.767 118.700 -0.073 0.000 2.205 289 N HA -0.148 4.593 4.740 0.000 0.000 0.186 289 N C 1.362 176.842 175.510 -0.050 0.000 1.015 289 N CA 0.924 53.933 53.050 -0.069 0.000 0.862 289 N CB 0.018 38.472 38.487 -0.054 0.000 0.986 289 N HN 0.499 nan 8.380 nan 0.000 0.429 290 K N -0.046 120.330 120.400 -0.039 0.000 2.097 290 K HA -0.021 4.299 4.320 0.000 0.000 0.206 290 K C 1.844 178.425 176.600 -0.033 0.000 1.049 290 K CA 0.850 57.120 56.287 -0.028 0.000 0.933 290 K CB 0.118 32.604 32.500 -0.024 0.000 0.717 290 K HN -0.012 nan 8.250 nan 0.000 0.442 291 V N 0.371 120.259 119.914 -0.043 0.000 2.575 291 V HA -0.015 4.105 4.120 0.000 0.000 0.242 291 V C 2.126 178.187 176.094 -0.056 0.000 1.045 291 V CA 1.479 63.752 62.300 -0.044 0.000 1.065 291 V CB -0.115 31.683 31.823 -0.042 0.000 0.717 291 V HN 0.280 nan 8.190 nan 0.000 0.467 292 A N 0.181 122.954 122.820 -0.079 0.000 1.933 292 A HA -0.085 4.235 4.320 0.000 0.000 0.218 292 A C 1.981 179.488 177.584 -0.127 0.000 1.175 292 A CA 1.631 53.594 52.037 -0.123 0.000 0.628 292 A CB -0.431 18.456 19.000 -0.188 0.000 0.814 292 A HN 0.539 nan 8.150 nan 0.000 0.444 293 L N -0.979 120.193 121.223 -0.085 0.000 2.607 293 L HA 0.320 4.660 4.340 0.000 0.000 0.228 293 L C 1.078 177.943 176.870 -0.008 0.000 1.123 293 L CA -0.118 54.704 54.840 -0.030 0.000 0.890 293 L CB -0.279 41.774 42.059 -0.010 0.000 1.103 293 L HN 0.318 nan 8.230 nan 0.000 0.468 294 A N 1.219 124.023 122.820 -0.027 0.000 2.351 294 A HA 0.535 4.855 4.320 0.000 0.000 0.257 294 A C -2.271 175.269 177.584 -0.073 0.000 1.087 294 A CA -1.110 50.911 52.037 -0.027 0.000 0.798 294 A CB -0.243 18.740 19.000 -0.029 0.000 1.033 294 A HN -0.085 nan 8.150 nan 0.000 0.488 295 P HA 0.468 nan 4.420 nan 0.000 0.276 295 P C -1.086 176.032 177.300 -0.304 0.000 1.243 295 P CA 0.296 63.206 63.100 -0.316 0.000 0.768 295 P CB 0.575 31.959 31.700 -0.526 0.000 0.856 296 L N 4.991 126.027 121.223 -0.311 0.000 2.434 296 L HA 0.462 4.802 4.340 0.000 0.000 0.260 296 L C -2.436 174.290 176.870 -0.240 0.000 0.983 296 L CA -2.766 51.939 54.840 -0.224 0.000 0.820 296 L CB 2.832 44.814 42.059 -0.127 0.000 1.361 296 L HN 0.117 nan 8.230 nan 0.000 0.410 297 P HA 0.086 nan 4.420 nan 0.000 0.264 297 P C -1.097 176.163 177.300 -0.065 0.000 1.193 297 P CA -0.009 63.019 63.100 -0.120 0.000 0.763 297 P CB 0.888 32.556 31.700 -0.055 0.000 0.810 298 A N 4.135 126.931 122.820 -0.039 0.000 2.330 298 A HA 0.473 4.794 4.320 0.000 0.000 0.313 298 A C -0.026 177.769 177.584 0.352 0.000 1.124 298 A CA -0.762 51.331 52.037 0.093 0.000 0.774 298 A CB 1.083 19.971 19.000 -0.187 0.000 1.198 298 A HN 0.439 nan 8.150 nan 0.000 0.465 299 R N 2.475 123.190 120.500 0.358 0.000 2.207 299 R HA 0.189 4.529 4.340 0.000 0.000 0.334 299 R C -0.309 176.180 176.300 0.315 0.000 1.013 299 R CA -0.232 56.044 56.100 0.293 0.000 0.858 299 R CB 0.688 31.079 30.300 0.151 0.000 1.094 299 R HN 0.916 nan 8.270 nan 0.000 0.457 300 E N 3.531 123.775 120.200 0.072 0.000 2.406 300 E HA 0.007 4.358 4.350 0.000 0.000 0.258 300 E C -0.855 175.503 176.600 -0.404 0.000 1.043 300 E CA -0.252 55.697 56.400 -0.752 0.000 0.929 300 E CB 0.812 29.976 29.700 -0.894 0.000 0.969 300 E HN 0.264 nan 8.360 nan 0.000 0.462 301 V N 6.748 126.430 119.914 -0.385 0.000 2.415 301 V HA -0.035 4.085 4.120 0.000 0.000 0.267 301 V C 1.164 177.128 176.094 -0.217 0.000 1.042 301 V CA -0.283 61.912 62.300 -0.176 0.000 1.000 301 V CB 0.291 32.063 31.823 -0.086 0.000 1.015 301 V HN 0.787 nan 8.190 nan 0.000 0.478 302 N N 7.575 126.186 118.700 -0.148 0.000 2.023 302 N HA 0.008 4.748 4.740 0.000 0.000 0.177 302 N C -1.905 173.532 175.510 -0.122 0.000 1.114 302 N CA 0.141 53.108 53.050 -0.139 0.000 0.940 302 N CB -0.670 37.764 38.487 -0.089 0.000 1.016 302 N HN 0.330 nan 8.380 nan 0.000 0.429 303 P HA 0.069 nan 4.420 nan 0.000 0.243 303 P C -2.308 174.921 177.300 -0.119 0.000 1.134 303 P CA -0.467 62.587 63.100 -0.076 0.000 1.109 303 P CB -0.648 31.020 31.700 -0.053 0.000 1.140 304 P HA -0.127 nan 4.420 nan 0.000 0.262 304 P C 0.010 177.145 177.300 -0.275 0.000 1.151 304 P CA 0.678 63.592 63.100 -0.311 0.000 0.757 304 P CB 0.305 31.700 31.700 -0.509 0.000 0.754 305 A N 6.188 128.847 122.820 -0.268 0.000 2.388 305 A HA 0.461 4.781 4.320 0.000 0.000 0.257 305 A C -1.915 175.539 177.584 -0.217 0.000 1.095 305 A CA -1.351 50.560 52.037 -0.209 0.000 0.791 305 A CB -0.605 18.276 19.000 -0.199 0.000 1.029 305 A HN 0.406 nan 8.150 nan 0.000 0.489 306 P HA 0.229 nan 4.420 nan 0.000 0.272 306 P C -2.661 174.564 177.300 -0.124 0.000 1.240 306 P CA -1.347 61.677 63.100 -0.127 0.000 0.791 306 P CB -0.630 31.016 31.700 -0.091 0.000 0.978 307 P HA -0.062 nan 4.420 nan 0.000 0.263 307 P C -0.313 176.931 177.300 -0.094 0.000 1.175 307 P CA 0.448 63.493 63.100 -0.092 0.000 0.761 307 P CB 0.115 31.770 31.700 -0.075 0.000 0.794 308 V N 3.113 122.966 119.914 -0.101 0.000 2.398 308 V HA 0.269 4.390 4.120 0.000 0.000 0.286 308 V C 1.000 177.061 176.094 -0.055 0.000 1.026 308 V CA -0.437 61.815 62.300 -0.081 0.000 0.868 308 V CB 1.134 32.899 31.823 -0.096 0.000 0.982 308 V HN 0.309 nan 8.190 nan 0.000 0.443 309 N N 4.733 123.409 118.700 -0.041 0.000 2.223 309 N HA -0.030 4.710 4.740 0.000 0.000 0.185 309 N C 1.062 176.572 175.510 -0.001 0.000 1.016 309 N CA 1.624 54.654 53.050 -0.033 0.000 0.863 309 N CB -0.330 38.138 38.487 -0.031 0.000 0.983 309 N HN 0.941 nan 8.380 nan 0.000 0.429 310 A N 0.574 123.422 122.820 0.046 0.000 2.915 310 A HA 0.464 4.784 4.320 0.000 0.000 0.292 310 A C -0.191 177.499 177.584 0.176 0.000 1.632 310 A CA -0.072 52.057 52.037 0.154 0.000 1.337 310 A CB -0.207 18.889 19.000 0.160 0.000 1.111 310 A HN 0.035 nan 8.150 nan 0.000 0.569 311 S N 0.868 116.642 115.700 0.124 0.000 2.556 311 S HA 0.506 4.976 4.470 0.000 0.000 0.271 311 S C -1.221 173.416 174.600 0.062 0.000 1.135 311 S CA -0.588 57.687 58.200 0.125 0.000 0.858 311 S CB 1.167 64.364 63.200 -0.005 0.000 1.114 311 S HN 0.718 nan 8.310 nan 0.000 0.468 312 W N 3.870 125.146 121.300 -0.039 0.000 2.283 312 W HA 0.568 5.228 4.660 0.000 0.000 0.317 312 W C -1.787 174.555 176.519 -0.296 0.000 1.042 312 W CA -0.488 56.761 57.345 -0.160 0.000 1.348 312 W CB 0.557 30.018 29.460 0.002 0.000 1.216 312 W HN 0.368 nan 8.180 nan 0.000 0.404 313 V N 7.537 127.013 119.914 -0.730 0.000 2.394 313 V HA 0.411 4.531 4.120 0.000 0.000 0.282 313 V C 0.062 175.776 176.094 -0.632 0.000 1.031 313 V CA -0.285 61.581 62.300 -0.724 0.000 0.881 313 V CB 1.137 32.037 31.823 -1.539 0.000 0.982 313 V HN 0.653 nan 8.190 nan 0.000 0.451 314 H N 2.476 121.496 119.070 -0.083 0.000 2.960 314 H HA 0.910 5.466 4.556 0.000 0.000 0.323 314 H C -1.307 174.206 175.328 0.309 0.000 1.326 314 H CA -1.331 54.747 56.048 0.051 0.000 1.124 314 H CB 2.309 32.160 29.762 0.148 0.000 1.853 314 H HN 0.418 nan 8.280 nan 0.000 0.536 315 K N 1.255 121.712 120.400 0.096 0.000 2.575 315 K HA 0.245 4.565 4.320 0.000 0.000 0.255 315 K C -1.404 175.252 176.600 0.093 0.000 0.953 315 K CA -0.140 56.164 56.287 0.028 0.000 0.840 315 K CB 2.113 34.603 32.500 -0.015 0.000 1.303 315 K HN 0.910 nan 8.250 nan 0.000 0.438 316 T N -0.107 114.560 114.554 0.187 0.000 2.907 316 T HA 0.851 5.202 4.350 0.000 0.000 0.284 316 T C 0.196 174.981 174.700 0.142 0.000 1.004 316 T CA -0.601 61.676 62.100 0.295 0.000 1.063 316 T CB 1.616 70.558 68.868 0.124 0.000 0.992 316 T HN 0.608 nan 8.240 nan 0.000 0.483 317 G N 1.130 110.027 108.800 0.162 0.000 2.711 317 G HA2 0.555 4.515 3.960 0.000 0.000 0.288 317 G HA3 0.555 4.515 3.960 0.000 0.000 0.288 317 G C -1.045 173.956 174.900 0.168 0.000 1.451 317 G CA -0.825 44.370 45.100 0.158 0.000 1.186 317 G HN 0.871 nan 8.290 nan 0.000 0.560 318 S N 0.234 116.021 115.700 0.145 0.000 2.638 318 S HA 0.918 5.388 4.470 0.000 0.000 0.302 318 S C 0.158 174.853 174.600 0.158 0.000 1.096 318 S CA -0.628 57.667 58.200 0.158 0.000 0.953 318 S CB 2.156 65.411 63.200 0.091 0.000 1.107 318 S HN 1.242 nan 8.310 nan 0.000 0.503 319 T N -2.654 112.023 114.554 0.206 0.000 2.716 319 T HA 0.643 4.993 4.350 0.000 0.000 0.286 319 T C 1.281 176.085 174.700 0.173 0.000 1.052 319 T CA -0.263 61.938 62.100 0.168 0.000 1.024 319 T CB 0.750 69.767 68.868 0.249 0.000 1.349 319 T HN 0.575 nan 8.240 nan 0.000 0.525 320 G N -0.259 108.624 108.800 0.139 0.000 2.469 320 G HA2 0.130 4.090 3.960 0.000 0.000 0.220 320 G HA3 0.130 4.090 3.960 0.000 0.000 0.220 320 G C 1.168 176.147 174.900 0.132 0.000 1.136 320 G CA 0.769 45.937 45.100 0.114 0.000 0.759 320 G HN 1.222 nan 8.290 nan 0.000 0.562 321 G N -1.379 107.543 108.800 0.203 0.000 3.192 321 G HA2 0.455 4.415 3.960 0.000 0.000 0.239 321 G HA3 0.455 4.415 3.960 0.000 0.000 0.239 321 G C -0.359 174.469 174.900 -0.120 0.000 1.084 321 G CA -0.463 44.662 45.100 0.043 0.000 0.784 321 G HN 0.186 nan 8.290 nan 0.000 0.540 322 F N 0.074 120.149 119.950 0.209 0.000 2.551 322 F HA 0.679 5.206 4.527 0.000 0.000 0.316 322 F C 0.338 176.277 175.800 0.233 0.000 1.089 322 F CA -1.231 56.930 58.000 0.269 0.000 0.915 322 F CB 2.617 41.797 39.000 0.301 0.000 1.186 322 F HN -0.014 nan 8.300 nan 0.000 0.456 323 G N 1.276 110.339 108.800 0.439 0.000 2.730 323 G HA2 0.562 4.522 3.960 0.000 0.000 0.291 323 G HA3 0.562 4.522 3.960 0.000 0.000 0.291 323 G C -1.371 173.731 174.900 0.336 0.000 1.456 323 G CA -0.475 44.799 45.100 0.289 0.000 0.996 323 G HN 0.569 nan 8.290 nan 0.000 0.528 324 S N 0.238 116.104 115.700 0.278 0.000 2.634 324 S HA 0.840 5.310 4.470 0.000 0.000 0.296 324 S C -1.713 173.075 174.600 0.314 0.000 1.104 324 S CA -0.574 57.800 58.200 0.289 0.000 0.920 324 S CB 1.997 65.358 63.200 0.269 0.000 1.111 324 S HN 0.693 nan 8.310 nan 0.000 0.493 325 Y N 0.338 120.736 120.300 0.164 0.000 2.521 325 Y HA 0.594 5.144 4.550 0.000 0.000 0.332 325 Y C -1.972 174.057 175.900 0.215 0.000 1.121 325 Y CA -0.604 57.596 58.100 0.167 0.000 1.037 325 Y CB 0.813 39.362 38.460 0.149 0.000 1.330 325 Y HN 0.456 nan 8.280 nan 0.000 0.452 326 V N 4.139 123.756 119.914 -0.494 0.000 2.709 326 V HA 0.986 5.106 4.120 0.000 0.000 0.308 326 V C -0.894 174.873 176.094 -0.545 0.000 1.062 326 V CA -0.231 61.903 62.300 -0.276 0.000 0.901 326 V CB 1.592 33.533 31.823 0.196 0.000 1.003 326 V HN 1.034 nan 8.190 nan 0.000 0.425 327 A N 4.315 126.919 122.820 -0.360 0.000 2.520 327 A HA 1.032 5.352 4.320 0.000 0.000 0.298 327 A C -1.326 175.971 177.584 -0.478 0.000 1.051 327 A CA -0.502 51.182 52.037 -0.588 0.000 0.690 327 A CB 1.785 20.342 19.000 -0.739 0.000 1.281 327 A HN 1.488 nan 8.150 nan 0.000 0.402 328 F N -0.732 118.778 119.950 -0.732 0.000 2.678 328 F HA 0.808 5.335 4.527 0.000 0.000 0.308 328 F C -1.489 173.932 175.800 -0.632 0.000 1.118 328 F CA -1.217 56.420 58.000 -0.605 0.000 0.959 328 F CB 1.185 39.908 39.000 -0.462 0.000 1.305 328 F HN 0.275 nan 8.300 nan 0.000 0.443 329 I N 2.892 123.235 120.570 -0.378 0.000 2.464 329 I HA 0.355 4.525 4.170 0.000 0.000 0.277 329 I C -2.061 173.926 176.117 -0.217 0.000 1.040 329 I CA -1.847 59.183 61.300 -0.450 0.000 1.153 329 I CB 1.644 39.161 38.000 -0.805 0.000 1.274 329 I HN 0.386 nan 8.210 nan 0.000 0.469 330 P HA -0.255 nan 4.420 nan 0.000 0.216 330 P C 1.451 178.689 177.300 -0.102 0.000 1.157 330 P CA 1.333 64.393 63.100 -0.067 0.000 0.880 330 P CB 0.302 31.973 31.700 -0.049 0.000 0.791 331 E N -0.195 119.948 120.200 -0.094 0.000 2.267 331 E HA -0.203 4.147 4.350 0.000 0.000 0.197 331 E C 1.360 177.915 176.600 -0.075 0.000 0.998 331 E CA 1.177 57.542 56.400 -0.058 0.000 0.830 331 E CB -0.199 29.508 29.700 0.011 0.000 0.751 331 E HN 0.192 nan 8.360 nan 0.000 0.491 332 K N -0.503 119.814 120.400 -0.138 0.000 2.355 332 K HA 0.066 4.386 4.320 0.000 0.000 0.198 332 K C -0.110 176.402 176.600 -0.146 0.000 1.039 332 K CA -0.020 56.191 56.287 -0.128 0.000 1.075 332 K CB 0.816 33.217 32.500 -0.164 0.000 0.870 332 K HN -0.043 nan 8.250 nan 0.000 0.540 333 Q N 0.656 120.367 119.800 -0.148 0.000 2.453 333 Q HA -0.199 4.141 4.340 0.000 0.000 0.294 333 Q C -0.885 175.027 176.000 -0.147 0.000 1.295 333 Q CA 0.902 56.614 55.803 -0.151 0.000 0.853 333 Q CB -1.653 26.997 28.738 -0.147 0.000 1.193 333 Q HN 0.386 nan 8.270 nan 0.000 0.461 334 L N -0.533 120.602 121.223 -0.146 0.000 2.362 334 L HA 0.823 5.164 4.340 0.000 0.000 0.275 334 L C 0.458 177.260 176.870 -0.113 0.000 0.998 334 L CA -0.237 54.540 54.840 -0.105 0.000 0.820 334 L CB 1.872 43.849 42.059 -0.135 0.000 1.270 334 L HN 0.266 nan 8.230 nan 0.000 0.415 335 G N 4.089 112.857 108.800 -0.053 0.000 2.692 335 G HA2 0.640 4.600 3.960 0.000 0.000 0.291 335 G HA3 0.640 4.600 3.960 0.000 0.000 0.291 335 G C -2.211 172.694 174.900 0.008 0.000 1.423 335 G CA -0.409 44.664 45.100 -0.044 0.000 0.843 335 G HN 0.550 nan 8.290 nan 0.000 0.486 336 I N 0.071 120.652 120.570 0.017 0.000 2.752 336 I HA 0.639 4.809 4.170 0.000 0.000 0.295 336 I C -1.308 174.874 176.117 0.108 0.000 1.219 336 I CA -0.964 60.389 61.300 0.088 0.000 1.030 336 I CB 2.361 40.429 38.000 0.113 0.000 1.259 336 I HN 0.353 nan 8.210 nan 0.000 0.423 337 V N 7.489 127.499 119.914 0.159 0.000 2.540 337 V HA 0.539 4.659 4.120 0.000 0.000 0.302 337 V C -0.477 175.734 176.094 0.195 0.000 1.035 337 V CA -0.397 62.007 62.300 0.174 0.000 0.873 337 V CB 1.811 33.748 31.823 0.190 0.000 0.992 337 V HN 0.652 nan 8.190 nan 0.000 0.428 338 M N 6.138 125.862 119.600 0.206 0.000 2.106 338 M HA 0.566 5.046 4.480 0.000 0.000 0.288 338 M C -1.342 175.050 176.300 0.153 0.000 0.941 338 M CA -0.094 55.329 55.300 0.204 0.000 0.934 338 M CB 1.882 34.653 32.600 0.285 0.000 1.551 338 M HN 0.390 nan 8.290 nan 0.000 0.437 339 L N 3.014 124.221 121.223 -0.027 0.000 2.305 339 L HA 0.955 5.296 4.340 0.000 0.000 0.284 339 L C -0.302 176.404 176.870 -0.272 0.000 1.013 339 L CA -0.712 53.982 54.840 -0.243 0.000 0.819 339 L CB 1.549 43.177 42.059 -0.719 0.000 1.227 339 L HN 0.761 nan 8.230 nan 0.000 0.417 340 A N 2.203 125.137 122.820 0.191 0.000 2.414 340 A HA 0.538 4.858 4.320 0.000 0.000 0.306 340 A C -0.290 177.659 177.584 0.610 0.000 1.054 340 A CA -0.777 51.503 52.037 0.404 0.000 0.724 340 A CB 1.203 20.411 19.000 0.347 0.000 1.267 340 A HN 0.751 nan 8.150 nan 0.000 0.418 341 N N 1.222 120.217 118.700 0.492 0.000 2.802 341 N HA 0.253 4.994 4.740 0.000 0.000 0.288 341 N C -0.589 174.876 175.510 -0.074 0.000 1.268 341 N CA -0.180 52.821 53.050 -0.082 0.000 1.035 341 N CB 0.021 38.454 38.487 -0.090 0.000 1.353 341 N HN 0.589 nan 8.380 nan 0.000 0.522 342 K N -1.144 119.305 120.400 0.081 0.000 2.579 342 K HA 0.210 4.530 4.320 0.000 0.000 0.257 342 K C -1.592 175.167 176.600 0.265 0.000 0.950 342 K CA -0.442 55.925 56.287 0.134 0.000 0.862 342 K CB 1.048 33.632 32.500 0.140 0.000 1.317 342 K HN -0.059 nan 8.250 nan 0.000 0.436 343 S N 4.689 120.512 115.700 0.206 0.000 2.498 343 S HA 0.268 4.738 4.470 0.000 0.000 0.314 343 S C -0.587 174.139 174.600 0.210 0.000 1.141 343 S CA -0.473 57.848 58.200 0.202 0.000 1.087 343 S CB -0.565 62.718 63.200 0.138 0.000 1.178 343 S HN 0.451 nan 8.310 nan 0.000 0.533 344 Y N 3.007 123.348 120.300 0.068 0.000 2.488 344 Y HA 0.779 5.330 4.550 0.000 0.000 0.325 344 Y C -2.754 173.163 175.900 0.028 0.000 1.204 344 Y CA -3.807 54.318 58.100 0.041 0.000 1.229 344 Y CB -1.042 37.439 38.460 0.035 0.000 1.274 344 Y HN 0.319 nan 8.280 nan 0.000 0.493 345 P HA -0.033 nan 4.420 nan 0.000 0.263 345 P C 0.170 177.306 177.300 -0.274 0.000 1.175 345 P CA 0.349 63.378 63.100 -0.119 0.000 0.761 345 P CB 0.723 32.407 31.700 -0.028 0.000 0.794 346 N N 3.730 122.293 118.700 -0.228 0.000 2.149 346 N HA -0.115 4.625 4.740 0.000 0.000 0.188 346 N C -0.908 174.457 175.510 -0.242 0.000 1.019 346 N CA 1.744 54.639 53.050 -0.258 0.000 0.857 346 N CB -1.722 36.652 38.487 -0.189 0.000 0.997 346 N HN 0.460 nan 8.380 nan 0.000 0.426 347 P HA -0.001 nan 4.420 nan 0.000 0.218 347 P C 0.973 178.215 177.300 -0.096 0.000 1.149 347 P CA 1.153 64.179 63.100 -0.123 0.000 0.817 347 P CB 0.015 31.665 31.700 -0.084 0.000 0.785 348 A N -0.143 122.640 122.820 -0.063 0.000 1.968 348 A HA -0.154 4.166 4.320 0.000 0.000 0.217 348 A C 2.161 179.795 177.584 0.082 0.000 1.169 348 A CA 1.093 53.160 52.037 0.049 0.000 0.638 348 A CB -0.817 18.290 19.000 0.179 0.000 0.812 348 A HN 0.084 nan 8.150 nan 0.000 0.446 349 R N -0.515 119.928 120.500 -0.095 0.000 2.066 349 R HA -0.074 4.266 4.340 0.000 0.000 0.232 349 R C 1.972 178.140 176.300 -0.220 0.000 1.131 349 R CA 1.503 57.538 56.100 -0.109 0.000 0.955 349 R CB -0.716 29.375 30.300 -0.350 0.000 0.851 349 R HN 0.348 nan 8.270 nan 0.000 0.432 350 V N 1.640 121.297 119.914 -0.429 0.000 2.407 350 V HA -0.263 3.857 4.120 0.000 0.000 0.248 350 V C 2.428 178.552 176.094 0.051 0.000 1.055 350 V CA 2.165 64.276 62.300 -0.314 0.000 1.049 350 V CB -0.587 31.104 31.823 -0.221 0.000 0.662 350 V HN 0.448 nan 8.190 nan 0.000 0.455 351 E N 0.608 120.821 120.200 0.021 0.000 2.072 351 E HA -0.170 4.180 4.350 0.000 0.000 0.190 351 E C 2.218 178.918 176.600 0.165 0.000 0.982 351 E CA 1.218 57.667 56.400 0.083 0.000 0.803 351 E CB -0.237 29.474 29.700 0.018 0.000 0.755 351 E HN 0.516 nan 8.360 nan 0.000 0.453 352 A N 1.586 124.493 122.820 0.145 0.000 1.883 352 A HA -0.119 4.201 4.320 0.000 0.000 0.217 352 A C 2.480 180.192 177.584 0.214 0.000 1.186 352 A CA 2.055 54.183 52.037 0.151 0.000 0.624 352 A CB -0.976 18.111 19.000 0.146 0.000 0.822 352 A HN 0.445 nan 8.150 nan 0.000 0.444 353 A N -1.813 121.189 122.820 0.303 0.000 1.902 353 A HA -0.132 4.188 4.320 0.000 0.000 0.217 353 A C 2.169 180.047 177.584 0.491 0.000 1.181 353 A CA 1.687 53.978 52.037 0.424 0.000 0.623 353 A CB -0.829 18.586 19.000 0.691 0.000 0.818 353 A HN 0.710 nan 8.150 nan 0.000 0.443 354 Y N 0.382 120.912 120.300 0.384 0.000 2.224 354 Y HA -0.186 4.364 4.550 0.000 0.000 0.289 354 Y C 2.561 178.595 175.900 0.223 0.000 1.146 354 Y CA 1.958 60.252 58.100 0.324 0.000 1.182 354 Y CB -0.160 38.350 38.460 0.084 0.000 0.983 354 Y HN 0.253 nan 8.280 nan 0.000 0.524 355 R N -0.211 120.481 120.500 0.320 0.000 2.073 355 R HA -0.151 4.189 4.340 0.000 0.000 0.234 355 R C 2.201 178.562 176.300 0.101 0.000 1.134 355 R CA 2.044 58.259 56.100 0.192 0.000 0.952 355 R CB -0.506 29.884 30.300 0.150 0.000 0.850 355 R HN 0.369 nan 8.270 nan 0.000 0.433 356 I N 0.836 121.470 120.570 0.105 0.000 2.142 356 I HA -0.297 3.874 4.170 0.000 0.000 0.240 356 I C 2.239 178.383 176.117 0.045 0.000 1.078 356 I CA 1.387 62.719 61.300 0.053 0.000 1.343 356 I CB -0.246 37.785 38.000 0.052 0.000 1.046 356 I HN 0.128 nan 8.210 nan 0.000 0.405 357 L N 0.292 121.564 121.223 0.083 0.000 2.141 357 L HA -0.162 4.178 4.340 0.000 0.000 0.209 357 L C 2.702 179.591 176.870 0.031 0.000 1.094 357 L CA 1.484 56.356 54.840 0.053 0.000 0.763 357 L CB -0.730 41.369 42.059 0.066 0.000 0.908 357 L HN 0.397 nan 8.230 nan 0.000 0.437 358 S N 0.038 115.714 115.700 -0.040 0.000 2.447 358 S HA -0.058 4.412 4.470 0.000 0.000 0.233 358 S C 1.842 176.459 174.600 0.029 0.000 1.006 358 S CA 0.674 58.848 58.200 -0.043 0.000 0.957 358 S CB -0.179 62.884 63.200 -0.229 0.000 0.773 358 S HN 0.330 nan 8.310 nan 0.000 0.507 359 A N 0.526 123.360 122.820 0.023 0.000 2.251 359 A HA 0.593 4.913 4.320 0.000 0.000 0.209 359 A C 0.671 178.270 177.584 0.026 0.000 1.187 359 A CA -0.210 51.840 52.037 0.022 0.000 0.823 359 A CB -0.259 18.742 19.000 0.002 0.000 0.846 359 A HN 0.542 nan 8.150 nan 0.000 0.486 360 L N 0.000 121.257 121.223 0.057 0.000 2.949 360 L HA 0.000 4.340 4.340 0.000 0.000 0.249 360 L CA 0.000 54.905 54.840 0.109 0.000 0.813 360 L CB 0.000 42.133 42.059 0.122 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502