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 1n8f_1_A DATA FIRST_RESID 8 DATA SEQUENCE LRIKEIKELL PPVALLQKFP ATENAANTVA HARKAIHKIL KGNDDRLLVV DATA SEQUENCE IGPCSIHDPV AAKEYATRLL ALREELKDEL EIVMRVYFEK PRTTVGWKGL DATA SEQUENCE INDPHMDNSF QINDGLRIAR KLLLDINDSG LPAAGEFLDM ITPQYLADLM DATA SEQUENCE SWGAIGARTT ESQVHRELAS GLSCPVGFKN GTDGTIKVAI DAINAAGAPH DATA SEQUENCE CFLSVTKWGH SAIVNTSGNG DCHIILRGGK EPNYSAKHVA EVKEGLNKAG DATA SEQUENCE LPAQVMIDFS HANSSKQFKK QMDVCADVCQ QIAGGEKAII GVMVESHLVE DATA SEQUENCE GNQSLESGEP LAYGKSITDA CIGWEDTDAL LRQLANAVKA RRG 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.869 176.870 -0.002 0.000 1.165 8 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 8 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 9 R N 2.640 123.138 120.500 -0.004 0.000 2.507 9 R HA 0.433 4.770 4.340 -0.004 0.000 0.298 9 R C -0.631 175.663 176.300 -0.011 0.000 0.999 9 R CA -0.239 55.857 56.100 -0.006 0.000 1.082 9 R CB 0.346 30.642 30.300 -0.006 0.000 1.246 9 R HN 0.232 nan 8.270 nan 0.000 0.553 10 I N 1.419 121.983 120.570 -0.010 0.000 2.330 10 I HA 0.154 4.321 4.170 -0.004 0.000 0.289 10 I C 1.035 177.145 176.117 -0.011 0.000 1.001 10 I CA -0.258 61.034 61.300 -0.014 0.000 1.193 10 I CB 1.632 39.626 38.000 -0.010 0.000 1.345 10 I HN -0.025 nan 8.210 nan 0.000 0.461 11 K N 4.699 125.090 120.400 -0.015 0.000 2.076 11 K HA 0.002 4.320 4.320 -0.004 0.000 0.204 11 K C 0.206 176.803 176.600 -0.005 0.000 1.051 11 K CA 0.896 57.178 56.287 -0.008 0.000 0.949 11 K CB 0.456 32.950 32.500 -0.009 0.000 0.726 11 K HN 0.740 nan 8.250 nan 0.000 0.443 12 E N -0.085 120.109 120.200 -0.010 0.000 2.407 12 E HA 0.398 4.745 4.350 -0.004 0.000 0.279 12 E C -1.277 175.319 176.600 -0.007 0.000 1.012 12 E CA -0.716 55.682 56.400 -0.003 0.000 0.800 12 E CB 1.402 31.105 29.700 0.005 0.000 1.276 12 E HN -0.082 nan 8.360 nan 0.000 0.452 13 I N 1.257 121.828 120.570 0.002 0.000 2.447 13 I HA 0.416 4.584 4.170 -0.004 0.000 0.287 13 I C -0.711 175.413 176.117 0.012 0.000 1.023 13 I CA -0.771 60.532 61.300 0.004 0.000 1.083 13 I CB 1.823 39.827 38.000 0.007 0.000 1.245 13 I HN 0.387 nan 8.210 nan 0.000 0.434 14 K N 4.996 125.405 120.400 0.014 0.000 2.328 14 K HA 0.378 4.696 4.320 -0.004 0.000 0.246 14 K C -0.636 175.981 176.600 0.028 0.000 0.955 14 K CA -0.936 55.365 56.287 0.023 0.000 0.817 14 K CB 1.938 34.454 32.500 0.026 0.000 1.208 14 K HN 0.570 nan 8.250 nan 0.000 0.432 15 E N 2.024 122.244 120.200 0.033 0.000 2.452 15 E HA 0.015 4.362 4.350 -0.004 0.000 0.261 15 E C -0.859 175.766 176.600 0.042 0.000 0.987 15 E CA -0.164 56.261 56.400 0.040 0.000 0.926 15 E CB 0.441 30.165 29.700 0.040 0.000 0.934 15 E HN 0.230 nan 8.360 nan 0.000 0.452 16 L N 4.212 125.468 121.223 0.054 0.000 2.376 16 L HA 0.313 4.651 4.340 -0.004 0.000 0.275 16 L C -0.947 175.979 176.870 0.094 0.000 0.987 16 L CA -0.694 54.182 54.840 0.060 0.000 0.828 16 L CB 1.516 43.614 42.059 0.064 0.000 1.249 16 L HN 0.641 nan 8.230 nan 0.000 0.409 17 L N 7.250 128.531 121.223 0.096 0.000 2.490 17 L HA 0.264 4.602 4.340 -0.004 0.000 0.274 17 L C -1.767 175.227 176.870 0.206 0.000 1.201 17 L CA -1.332 53.581 54.840 0.123 0.000 0.869 17 L CB 0.205 42.331 42.059 0.112 0.000 1.123 17 L HN 0.526 nan 8.230 nan 0.000 0.484 18 P HA 0.180 nan 4.420 nan 0.000 0.276 18 P C -2.377 174.827 177.300 -0.160 0.000 1.244 18 P CA -1.752 61.345 63.100 -0.006 0.000 0.801 18 P CB 0.617 32.284 31.700 -0.055 0.000 1.006 19 P HA -0.191 nan 4.420 nan 0.000 0.216 19 P C 1.642 178.691 177.300 -0.419 0.000 1.154 19 P CA 1.640 64.223 63.100 -0.862 0.000 0.865 19 P CB -0.502 30.625 31.700 -0.956 0.000 0.789 20 V N -2.366 117.280 119.914 -0.446 0.000 2.453 20 V HA -0.269 3.849 4.120 -0.004 0.000 0.252 20 V C 2.204 178.174 176.094 -0.206 0.000 1.068 20 V CA 2.029 64.087 62.300 -0.403 0.000 1.070 20 V CB -2.182 29.286 31.823 -0.591 0.000 0.664 20 V HN 0.066 nan 8.190 nan 0.000 0.461 21 A N 0.390 123.134 122.820 -0.127 0.000 1.930 21 A HA 0.014 4.331 4.320 -0.004 0.000 0.217 21 A C 2.228 179.786 177.584 -0.044 0.000 1.175 21 A CA 1.889 53.892 52.037 -0.057 0.000 0.627 21 A CB -0.482 18.515 19.000 -0.004 0.000 0.815 21 A HN 0.468 nan 8.150 nan 0.000 0.443 22 L N -0.555 120.676 121.223 0.013 0.000 2.131 22 L HA -0.008 4.330 4.340 -0.004 0.000 0.206 22 L C 2.453 179.364 176.870 0.068 0.000 1.087 22 L CA 1.201 56.106 54.840 0.108 0.000 0.767 22 L CB -1.279 40.932 42.059 0.255 0.000 0.917 22 L HN 0.393 nan 8.230 nan 0.000 0.441 23 L N -0.909 120.298 121.223 -0.026 0.000 2.141 23 L HA -0.193 4.144 4.340 -0.004 0.000 0.209 23 L C 2.701 179.542 176.870 -0.049 0.000 1.094 23 L CA 0.862 55.678 54.840 -0.040 0.000 0.763 23 L CB -0.367 41.617 42.059 -0.126 0.000 0.908 23 L HN 0.324 nan 8.230 nan 0.000 0.437 24 Q N -0.039 119.710 119.800 -0.086 0.000 2.137 24 Q HA -0.165 4.172 4.340 -0.004 0.000 0.198 24 Q C 2.135 178.056 176.000 -0.132 0.000 0.960 24 Q CA 1.158 56.907 55.803 -0.091 0.000 0.847 24 Q CB -0.017 28.668 28.738 -0.088 0.000 0.915 24 Q HN 0.439 nan 8.270 nan 0.000 0.448 25 K N -0.349 119.921 120.400 -0.217 0.000 2.062 25 K HA -0.032 4.286 4.320 -0.004 0.000 0.205 25 K C -0.044 176.203 176.600 -0.589 0.000 1.051 25 K CA 0.693 56.701 56.287 -0.465 0.000 0.941 25 K CB 0.250 32.343 32.500 -0.679 0.000 0.719 25 K HN 0.014 nan 8.250 nan 0.000 0.440 26 F N 2.749 122.692 119.950 -0.012 0.000 2.449 26 F HA 0.338 4.862 4.527 -0.004 0.000 0.329 26 F C -2.262 173.531 175.800 -0.012 0.000 1.245 26 F CA -2.449 55.547 58.000 -0.008 0.000 1.193 26 F CB 1.183 40.180 39.000 -0.005 0.000 1.425 26 F HN -0.037 nan 8.300 nan 0.000 0.544 27 P HA 0.170 nan 4.420 nan 0.000 0.274 27 P C -0.305 177.037 177.300 0.071 0.000 1.231 27 P CA -0.180 62.956 63.100 0.060 0.000 0.790 27 P CB 1.308 33.020 31.700 0.021 0.000 0.951 28 A N 2.516 125.364 122.820 0.046 0.000 2.477 28 A HA 0.422 4.739 4.320 -0.004 0.000 0.246 28 A C 0.929 178.533 177.584 0.033 0.000 1.078 28 A CA 0.023 52.084 52.037 0.040 0.000 0.770 28 A CB -0.648 18.366 19.000 0.024 0.000 1.011 28 A HN 0.652 nan 8.150 nan 0.000 0.494 29 T N -0.348 114.227 114.554 0.036 0.000 2.847 29 T HA 0.370 4.717 4.350 -0.004 0.000 0.279 29 T C 0.996 175.709 174.700 0.023 0.000 0.984 29 T CA 0.264 62.382 62.100 0.031 0.000 0.988 29 T CB 0.938 69.827 68.868 0.036 0.000 1.040 29 T HN 0.774 nan 8.240 nan 0.000 0.528 30 E N 0.941 121.154 120.200 0.021 0.000 2.110 30 E HA -0.219 4.129 4.350 -0.004 0.000 0.193 30 E C 1.616 178.229 176.600 0.021 0.000 0.988 30 E CA 1.481 57.891 56.400 0.017 0.000 0.804 30 E CB -0.343 29.369 29.700 0.021 0.000 0.745 30 E HN 0.549 nan 8.360 nan 0.000 0.458 31 N N 0.807 119.525 118.700 0.030 0.000 2.142 31 N HA -0.074 4.663 4.740 -0.004 0.000 0.186 31 N C 1.749 177.281 175.510 0.037 0.000 1.023 31 N CA 1.631 54.704 53.050 0.040 0.000 0.852 31 N CB -0.578 37.933 38.487 0.040 0.000 0.998 31 N HN 0.393 nan 8.380 nan 0.000 0.424 32 A N 1.075 123.913 122.820 0.031 0.000 1.877 32 A HA 0.029 4.347 4.320 -0.004 0.000 0.216 32 A C 2.359 179.953 177.584 0.016 0.000 1.186 32 A CA 1.990 54.045 52.037 0.030 0.000 0.620 32 A CB -0.932 18.088 19.000 0.033 0.000 0.822 32 A HN 0.305 nan 8.150 nan 0.000 0.443 33 A N 0.078 122.900 122.820 0.003 0.000 1.933 33 A HA -0.222 4.095 4.320 -0.004 0.000 0.218 33 A C 1.913 179.455 177.584 -0.069 0.000 1.175 33 A CA 1.765 53.789 52.037 -0.022 0.000 0.628 33 A CB -0.869 18.118 19.000 -0.022 0.000 0.814 33 A HN 0.735 nan 8.150 nan 0.000 0.444 34 N N -0.910 117.747 118.700 -0.071 0.000 2.142 34 N HA -0.111 4.626 4.740 -0.004 0.000 0.186 34 N C 1.685 177.113 175.510 -0.136 0.000 1.023 34 N CA 1.609 54.552 53.050 -0.178 0.000 0.852 34 N CB -0.241 38.240 38.487 -0.011 0.000 0.998 34 N HN 0.439 nan 8.380 nan 0.000 0.424 35 T N 0.827 115.396 114.554 0.025 0.000 2.635 35 T HA -0.130 4.217 4.350 -0.004 0.000 0.267 35 T C 2.149 176.882 174.700 0.055 0.000 1.040 35 T CA 1.082 63.232 62.100 0.083 0.000 1.156 35 T CB -0.417 68.494 68.868 0.072 0.000 0.863 35 T HN -0.000 nan 8.240 nan 0.000 0.430 36 V N 1.745 121.671 119.914 0.020 0.000 2.261 36 V HA -0.185 3.932 4.120 -0.004 0.000 0.246 36 V C 2.918 179.014 176.094 0.004 0.000 1.047 36 V CA 1.775 64.092 62.300 0.029 0.000 1.015 36 V CB -1.330 30.508 31.823 0.025 0.000 0.642 36 V HN 0.553 nan 8.190 nan 0.000 0.446 37 A N -0.836 121.934 122.820 -0.083 0.000 1.908 37 A HA -0.268 4.049 4.320 -0.004 0.000 0.218 37 A C 2.101 179.646 177.584 -0.065 0.000 1.181 37 A CA 2.081 54.047 52.037 -0.120 0.000 0.627 37 A CB -0.772 18.089 19.000 -0.232 0.000 0.818 37 A HN 0.689 nan 8.150 nan 0.000 0.445 38 H N -0.502 118.595 119.070 0.045 0.000 2.363 38 H HA 0.069 4.623 4.556 -0.004 0.000 0.301 38 H C 2.561 177.923 175.328 0.056 0.000 1.074 38 H CA 1.271 57.346 56.048 0.046 0.000 1.354 38 H CB -0.735 29.049 29.762 0.038 0.000 1.397 38 H HN 0.523 nan 8.280 nan 0.000 0.516 39 A N 1.494 124.420 122.820 0.176 0.000 1.902 39 A HA -0.170 4.147 4.320 -0.004 0.000 0.217 39 A C 2.521 180.188 177.584 0.137 0.000 1.181 39 A CA 1.318 53.437 52.037 0.135 0.000 0.623 39 A CB -0.372 18.700 19.000 0.119 0.000 0.818 39 A HN 0.300 nan 8.150 nan 0.000 0.443 40 R N -0.442 120.135 120.500 0.129 0.000 2.081 40 R HA -0.133 4.205 4.340 -0.004 0.000 0.235 40 R C 2.402 178.793 176.300 0.152 0.000 1.131 40 R CA 1.639 57.820 56.100 0.136 0.000 0.960 40 R CB -0.300 30.053 30.300 0.089 0.000 0.856 40 R HN 0.579 nan 8.270 nan 0.000 0.436 41 K N 0.724 121.207 120.400 0.138 0.000 2.057 41 K HA -0.117 4.200 4.320 -0.004 0.000 0.207 41 K C 2.085 178.793 176.600 0.180 0.000 1.049 41 K CA 1.404 57.791 56.287 0.165 0.000 0.931 41 K CB -0.096 32.493 32.500 0.149 0.000 0.714 41 K HN 0.160 nan 8.250 nan 0.000 0.440 42 A N 1.532 124.437 122.820 0.141 0.000 1.908 42 A HA -0.150 4.168 4.320 -0.004 0.000 0.218 42 A C 2.094 179.735 177.584 0.094 0.000 1.181 42 A CA 1.529 53.626 52.037 0.100 0.000 0.627 42 A CB -0.557 18.489 19.000 0.077 0.000 0.818 42 A HN 0.357 nan 8.150 nan 0.000 0.445 43 I N -1.431 119.213 120.570 0.124 0.000 2.252 43 I HA -0.246 3.922 4.170 -0.004 0.000 0.245 43 I C 2.509 178.718 176.117 0.152 0.000 1.102 43 I CA 1.742 63.119 61.300 0.128 0.000 1.385 43 I CB -0.519 37.597 38.000 0.193 0.000 1.064 43 I HN 0.569 nan 8.210 nan 0.000 0.414 44 H N 1.860 120.987 119.070 0.094 0.000 2.319 44 H HA -0.165 4.388 4.556 -0.004 0.000 0.299 44 H C 2.113 177.480 175.328 0.065 0.000 1.092 44 H CA 1.842 57.941 56.048 0.085 0.000 1.302 44 H CB 0.024 29.831 29.762 0.075 0.000 1.373 44 H HN 0.127 nan 8.280 nan 0.000 0.497 45 K N -0.219 120.158 120.400 -0.037 0.000 2.097 45 K HA -0.085 4.232 4.320 -0.004 0.000 0.206 45 K C 2.323 178.871 176.600 -0.086 0.000 1.049 45 K CA 1.502 57.729 56.287 -0.099 0.000 0.933 45 K CB 0.012 32.514 32.500 0.003 0.000 0.717 45 K HN 0.363 nan 8.250 nan 0.000 0.442 46 I N 1.099 121.645 120.570 -0.040 0.000 2.202 46 I HA -0.271 3.896 4.170 -0.004 0.000 0.242 46 I C 2.171 178.260 176.117 -0.047 0.000 1.091 46 I CA 1.165 62.444 61.300 -0.037 0.000 1.368 46 I CB -0.250 37.733 38.000 -0.028 0.000 1.058 46 I HN 0.106 nan 8.210 nan 0.000 0.410 47 L N 0.442 121.642 121.223 -0.038 0.000 2.131 47 L HA -0.193 4.145 4.340 -0.004 0.000 0.210 47 L C 2.329 179.169 176.870 -0.050 0.000 1.092 47 L CA 1.074 55.905 54.840 -0.015 0.000 0.759 47 L CB -0.585 41.511 42.059 0.061 0.000 0.903 47 L HN 0.190 nan 8.230 nan 0.000 0.435 48 K N 0.171 120.487 120.400 -0.141 0.000 2.432 48 K HA 0.072 4.390 4.320 -0.004 0.000 0.196 48 K C 1.347 177.902 176.600 -0.074 0.000 1.038 48 K CA 0.888 57.090 56.287 -0.141 0.000 0.986 48 K CB -0.048 32.286 32.500 -0.276 0.000 0.782 48 K HN 0.406 nan 8.250 nan 0.000 0.485 49 G N 2.011 110.775 108.800 -0.060 0.000 2.132 49 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.234 49 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.234 49 G C 0.225 175.106 174.900 -0.032 0.000 0.989 49 G CA 0.064 45.144 45.100 -0.034 0.000 0.676 49 G HN 0.280 nan 8.290 nan 0.000 0.522 50 N N 0.683 119.356 118.700 -0.044 0.000 2.279 50 N HA 0.292 5.029 4.740 -0.004 0.000 0.226 50 N C -0.382 175.116 175.510 -0.019 0.000 1.126 50 N CA 0.627 53.660 53.050 -0.029 0.000 0.846 50 N CB 0.811 39.279 38.487 -0.032 0.000 1.050 50 N HN 0.629 nan 8.380 nan 0.000 0.502 51 D N -0.272 120.116 120.400 -0.021 0.000 2.878 51 D HA 0.044 4.682 4.640 -0.004 0.000 0.211 51 D C -0.726 175.565 176.300 -0.016 0.000 1.271 51 D CA -0.535 53.456 54.000 -0.015 0.000 0.845 51 D CB 1.111 41.904 40.800 -0.012 0.000 1.679 51 D HN -0.036 nan 8.370 nan 0.000 0.536 52 D N 1.678 122.071 120.400 -0.013 0.000 2.328 52 D HA 0.090 4.727 4.640 -0.004 0.000 0.221 52 D C 0.247 176.538 176.300 -0.016 0.000 1.072 52 D CA -0.065 53.928 54.000 -0.013 0.000 0.850 52 D CB 0.097 40.892 40.800 -0.008 0.000 0.922 52 D HN 0.147 nan 8.370 nan 0.000 0.516 53 R N -0.249 120.240 120.500 -0.019 0.000 2.637 53 R HA 0.441 4.778 4.340 -0.004 0.000 0.269 53 R C -0.518 175.761 176.300 -0.035 0.000 1.089 53 R CA -0.907 55.179 56.100 -0.024 0.000 1.177 53 R CB 0.793 31.079 30.300 -0.022 0.000 1.091 53 R HN 0.122 nan 8.270 nan 0.000 0.540 54 L N 2.495 123.692 121.223 -0.042 0.000 2.272 54 L HA 0.272 4.610 4.340 -0.004 0.000 0.289 54 L C -1.063 175.753 176.870 -0.090 0.000 1.032 54 L CA -0.707 54.096 54.840 -0.061 0.000 0.810 54 L CB 1.282 43.312 42.059 -0.049 0.000 1.205 54 L HN 0.397 nan 8.230 nan 0.000 0.422 55 L N 6.701 127.850 121.223 -0.124 0.000 2.410 55 L HA 0.417 4.754 4.340 -0.004 0.000 0.273 55 L C -0.885 175.854 176.870 -0.218 0.000 1.144 55 L CA 0.439 55.176 54.840 -0.172 0.000 0.863 55 L CB 0.856 42.780 42.059 -0.225 0.000 1.140 55 L HN 0.419 nan 8.230 nan 0.000 0.463 56 V N 6.528 126.318 119.914 -0.207 0.000 2.349 56 V HA 0.316 4.434 4.120 -0.004 0.000 0.284 56 V C -0.268 175.680 176.094 -0.243 0.000 1.014 56 V CA -0.683 61.480 62.300 -0.228 0.000 0.826 56 V CB 1.517 33.240 31.823 -0.168 0.000 1.009 56 V HN 0.530 nan 8.190 nan 0.000 0.431 57 V N 7.125 126.844 119.914 -0.327 0.000 2.334 57 V HA 0.500 4.618 4.120 -0.004 0.000 0.267 57 V C -0.131 175.844 176.094 -0.198 0.000 1.040 57 V CA -0.118 62.005 62.300 -0.295 0.000 0.866 57 V CB 1.142 32.666 31.823 -0.498 0.000 1.019 57 V HN 0.747 nan 8.190 nan 0.000 0.468 58 I N 3.874 124.378 120.570 -0.110 0.000 2.686 58 I HA 0.943 5.110 4.170 -0.004 0.000 0.295 58 I C 0.102 176.207 176.117 -0.020 0.000 1.114 58 I CA 0.091 61.345 61.300 -0.075 0.000 1.038 58 I CB 2.190 40.162 38.000 -0.046 0.000 1.238 58 I HN 0.741 nan 8.210 nan 0.000 0.420 59 G N 5.222 113.950 108.800 -0.120 0.000 2.343 59 G HA2 0.186 4.144 3.960 -0.004 0.000 0.289 59 G HA3 0.186 4.144 3.960 -0.004 0.000 0.289 59 G C -3.367 171.247 174.900 -0.476 0.000 1.295 59 G CA -0.864 44.013 45.100 -0.372 0.000 0.869 59 G HN 0.373 nan 8.290 nan 0.000 0.522 60 P HA 0.189 nan 4.420 nan 0.000 0.268 60 P C 1.224 178.331 177.300 -0.321 0.000 1.208 60 P CA 0.049 62.840 63.100 -0.515 0.000 0.777 60 P CB 0.926 32.225 31.700 -0.669 0.000 0.875 61 C N 1.569 120.758 119.300 -0.185 0.000 2.440 61 C HA -0.000 4.457 4.460 -0.004 0.000 0.278 61 C C 0.868 175.789 174.990 -0.115 0.000 1.295 61 C CA 1.622 60.541 59.018 -0.164 0.000 1.738 61 C CB -1.429 26.278 27.740 -0.055 0.000 1.987 61 C HN 0.732 nan 8.230 nan 0.000 0.492 62 S N -0.088 115.616 115.700 0.006 0.000 2.550 62 S HA 0.650 5.117 4.470 -0.004 0.000 0.270 62 S C -1.198 173.510 174.600 0.179 0.000 1.145 62 S CA -0.778 57.500 58.200 0.130 0.000 0.852 62 S CB 0.950 64.332 63.200 0.303 0.000 1.119 62 S HN 0.179 nan 8.310 nan 0.000 0.465 63 I N 4.199 124.868 120.570 0.165 0.000 2.342 63 I HA 0.344 4.512 4.170 -0.004 0.000 0.291 63 I C 1.124 177.499 176.117 0.430 0.000 1.010 63 I CA -0.186 61.220 61.300 0.178 0.000 1.308 63 I CB 0.643 38.666 38.000 0.038 0.000 1.400 63 I HN 1.093 nan 8.210 nan 0.000 0.488 64 H N 2.906 122.115 119.070 0.231 0.000 3.535 64 H HA 0.283 4.837 4.556 -0.005 0.000 0.260 64 H C -0.866 174.527 175.328 0.109 0.000 1.173 64 H CA -0.233 55.945 56.048 0.216 0.000 1.168 64 H CB 1.090 30.839 29.762 -0.022 0.000 1.568 64 H HN 0.508 nan 8.280 nan 0.000 0.602 65 D N 1.326 121.501 120.400 -0.374 0.000 2.478 65 D HA 0.277 4.915 4.640 -0.004 0.000 0.240 65 D C -2.239 173.994 176.300 -0.113 0.000 1.364 65 D CA -1.818 52.009 54.000 -0.288 0.000 0.987 65 D CB 2.380 42.882 40.800 -0.498 0.000 1.328 65 D HN -0.149 nan 8.370 nan 0.000 0.584 66 P HA -0.131 nan 4.420 nan 0.000 0.218 66 P C 1.442 178.756 177.300 0.024 0.000 1.148 66 P CA 0.537 63.650 63.100 0.021 0.000 0.822 66 P CB 0.433 32.149 31.700 0.026 0.000 0.784 67 V N 0.371 120.306 119.914 0.036 0.000 2.237 67 V HA -0.256 3.862 4.120 -0.004 0.000 0.245 67 V C 2.478 178.644 176.094 0.121 0.000 1.046 67 V CA 2.380 64.739 62.300 0.097 0.000 1.007 67 V CB -1.760 30.162 31.823 0.164 0.000 0.638 67 V HN 0.102 nan 8.190 nan 0.000 0.445 68 A N -0.127 122.714 122.820 0.034 0.000 1.933 68 A HA -0.102 4.215 4.320 -0.004 0.000 0.218 68 A C 2.399 179.984 177.584 0.001 0.000 1.175 68 A CA 2.085 54.049 52.037 -0.122 0.000 0.628 68 A CB -0.774 17.943 19.000 -0.471 0.000 0.814 68 A HN 0.590 nan 8.150 nan 0.000 0.444 69 A N -0.089 122.722 122.820 -0.015 0.000 1.877 69 A HA -0.182 4.135 4.320 -0.004 0.000 0.216 69 A C 2.128 179.740 177.584 0.046 0.000 1.186 69 A CA 1.849 53.880 52.037 -0.010 0.000 0.620 69 A CB -0.430 18.561 19.000 -0.016 0.000 0.822 69 A HN 0.531 nan 8.150 nan 0.000 0.443 70 K N -0.771 119.655 120.400 0.044 0.000 2.148 70 K HA -0.128 4.190 4.320 -0.004 0.000 0.204 70 K C 2.099 178.718 176.600 0.031 0.000 1.050 70 K CA 1.283 57.594 56.287 0.040 0.000 0.942 70 K CB -0.081 32.438 32.500 0.032 0.000 0.724 70 K HN 0.700 nan 8.250 nan 0.000 0.446 71 E N 0.170 120.398 120.200 0.046 0.000 2.072 71 E HA -0.219 4.128 4.350 -0.004 0.000 0.191 71 E C 1.837 178.395 176.600 -0.071 0.000 0.985 71 E CA 0.969 57.373 56.400 0.007 0.000 0.801 71 E CB -0.071 29.680 29.700 0.084 0.000 0.750 71 E HN 0.315 nan 8.360 nan 0.000 0.452 72 Y N 0.585 120.808 120.300 -0.128 0.000 2.181 72 Y HA -0.187 4.361 4.550 -0.004 0.000 0.288 72 Y C 2.087 177.899 175.900 -0.147 0.000 1.146 72 Y CA 1.740 59.732 58.100 -0.179 0.000 1.164 72 Y CB -0.362 38.018 38.460 -0.133 0.000 0.982 72 Y HN 0.137 nan 8.280 nan 0.000 0.515 73 A N -0.331 122.547 122.820 0.097 0.000 1.908 73 A HA -0.245 4.073 4.320 -0.004 0.000 0.218 73 A C 2.290 179.843 177.584 -0.052 0.000 1.181 73 A CA 2.595 54.665 52.037 0.055 0.000 0.627 73 A CB -1.562 17.477 19.000 0.064 0.000 0.818 73 A HN 0.627 nan 8.150 nan 0.000 0.445 74 T N -2.010 112.491 114.554 -0.088 0.000 2.777 74 T HA -0.147 4.200 4.350 -0.004 0.000 0.266 74 T C 1.970 176.567 174.700 -0.171 0.000 1.040 74 T CA 1.253 63.292 62.100 -0.102 0.000 1.141 74 T CB -0.382 68.433 68.868 -0.089 0.000 0.868 74 T HN 0.530 nan 8.240 nan 0.000 0.444 75 R N 0.333 120.624 120.500 -0.348 0.000 2.081 75 R HA 0.114 4.452 4.340 -0.004 0.000 0.235 75 R C 2.499 178.667 176.300 -0.219 0.000 1.131 75 R CA 1.240 57.035 56.100 -0.508 0.000 0.960 75 R CB -0.679 28.818 30.300 -1.338 0.000 0.856 75 R HN 0.293 nan 8.270 nan 0.000 0.436 76 L N 1.187 122.278 121.223 -0.221 0.000 2.141 76 L HA -0.094 4.244 4.340 -0.004 0.000 0.209 76 L C 2.043 178.940 176.870 0.045 0.000 1.094 76 L CA 1.340 56.207 54.840 0.045 0.000 0.763 76 L CB -0.319 41.729 42.059 -0.018 0.000 0.908 76 L HN 0.177 nan 8.230 nan 0.000 0.437 77 L N -1.032 120.191 121.223 0.001 0.000 2.127 77 L HA -0.216 4.122 4.340 -0.004 0.000 0.211 77 L C 2.439 179.321 176.870 0.020 0.000 1.089 77 L CA 1.310 56.158 54.840 0.013 0.000 0.757 77 L CB -0.398 41.662 42.059 0.001 0.000 0.899 77 L HN 0.425 nan 8.230 nan 0.000 0.434 78 A N -0.562 122.273 122.820 0.024 0.000 1.898 78 A HA -0.159 4.159 4.320 -0.004 0.000 0.216 78 A C 2.060 179.673 177.584 0.049 0.000 1.181 78 A CA 0.963 53.021 52.037 0.035 0.000 0.620 78 A CB -0.409 18.615 19.000 0.040 0.000 0.819 78 A HN 0.330 nan 8.150 nan 0.000 0.442 79 L N -0.350 120.920 121.223 0.079 0.000 2.056 79 L HA -0.112 4.225 4.340 -0.004 0.000 0.207 79 L C 2.614 179.497 176.870 0.021 0.000 1.078 79 L CA 2.049 56.920 54.840 0.052 0.000 0.749 79 L CB -1.197 40.895 42.059 0.055 0.000 0.901 79 L HN 0.578 nan 8.230 nan 0.000 0.433 80 R N 0.232 120.748 120.500 0.026 0.000 2.091 80 R HA -0.244 4.093 4.340 -0.004 0.000 0.238 80 R C 2.138 178.443 176.300 0.008 0.000 1.136 80 R CA 1.881 57.989 56.100 0.013 0.000 0.959 80 R CB 0.020 30.332 30.300 0.020 0.000 0.856 80 R HN 0.188 nan 8.270 nan 0.000 0.437 81 E N 0.735 120.942 120.200 0.012 0.000 2.072 81 E HA -0.183 4.164 4.350 -0.004 0.000 0.190 81 E C 1.744 178.346 176.600 0.004 0.000 0.982 81 E CA 1.555 57.959 56.400 0.007 0.000 0.803 81 E CB -0.123 29.582 29.700 0.009 0.000 0.755 81 E HN 0.413 nan 8.360 nan 0.000 0.453 82 E N -0.236 119.968 120.200 0.007 0.000 2.110 82 E HA -0.143 4.204 4.350 -0.004 0.000 0.193 82 E C 1.084 177.682 176.600 -0.004 0.000 0.988 82 E CA 1.072 57.473 56.400 0.003 0.000 0.804 82 E CB 0.033 29.738 29.700 0.007 0.000 0.745 82 E HN 0.322 nan 8.360 nan 0.000 0.458 83 L N 0.967 122.186 121.223 -0.008 0.000 2.818 83 L HA 0.171 4.508 4.340 -0.004 0.000 0.243 83 L C 1.790 178.652 176.870 -0.014 0.000 1.185 83 L CA -0.211 54.620 54.840 -0.014 0.000 0.988 83 L CB 0.205 42.251 42.059 -0.022 0.000 1.292 83 L HN -0.001 nan 8.230 nan 0.000 0.519 84 K N -1.083 119.311 120.400 -0.011 0.000 2.360 84 K HA -0.185 4.132 4.320 -0.004 0.000 0.201 84 K C 0.645 177.237 176.600 -0.013 0.000 1.046 84 K CA 1.474 57.754 56.287 -0.011 0.000 0.940 84 K CB -0.070 32.424 32.500 -0.009 0.000 0.748 84 K HN 0.158 nan 8.250 nan 0.000 0.465 85 D N 0.860 121.253 120.400 -0.012 0.000 2.277 85 D HA -0.050 4.588 4.640 -0.004 0.000 0.208 85 D C 0.982 177.274 176.300 -0.013 0.000 0.962 85 D CA 0.917 54.910 54.000 -0.012 0.000 0.865 85 D CB 0.327 41.121 40.800 -0.010 0.000 0.939 85 D HN 0.377 nan 8.370 nan 0.000 0.510 86 E N -0.962 119.228 120.200 -0.016 0.000 2.453 86 E HA 0.287 4.635 4.350 -0.004 0.000 0.211 86 E C 0.059 176.644 176.600 -0.025 0.000 0.897 86 E CA 0.134 56.523 56.400 -0.018 0.000 1.063 86 E CB 1.055 30.745 29.700 -0.017 0.000 1.080 86 E HN 0.105 nan 8.360 nan 0.000 0.512 87 L N 0.390 121.596 121.223 -0.028 0.000 2.370 87 L HA 0.572 4.909 4.340 -0.004 0.000 0.266 87 L C -0.576 176.273 176.870 -0.035 0.000 1.002 87 L CA -1.129 53.688 54.840 -0.039 0.000 0.818 87 L CB 2.082 44.114 42.059 -0.046 0.000 1.325 87 L HN -0.203 nan 8.230 nan 0.000 0.418 88 E N 2.592 122.763 120.200 -0.047 0.000 2.173 88 E HA 0.410 4.758 4.350 -0.004 0.000 0.249 88 E C -1.009 175.558 176.600 -0.054 0.000 0.923 88 E CA -0.190 56.188 56.400 -0.037 0.000 0.754 88 E CB 0.456 30.136 29.700 -0.034 0.000 1.177 88 E HN 0.401 nan 8.360 nan 0.000 0.430 89 I N 4.066 124.614 120.570 -0.037 0.000 2.416 89 I HA 0.212 4.379 4.170 -0.004 0.000 0.288 89 I C -0.485 175.621 176.117 -0.018 0.000 1.051 89 I CA -0.589 60.688 61.300 -0.037 0.000 1.375 89 I CB 0.961 38.951 38.000 -0.016 0.000 1.407 89 I HN 0.221 nan 8.210 nan 0.000 0.516 90 V N 7.409 127.300 119.914 -0.038 0.000 2.588 90 V HA 0.337 4.455 4.120 -0.004 0.000 0.304 90 V C -0.042 176.059 176.094 0.012 0.000 1.042 90 V CA -0.717 61.579 62.300 -0.007 0.000 0.877 90 V CB 1.936 33.739 31.823 -0.034 0.000 0.996 90 V HN 0.703 nan 8.190 nan 0.000 0.425 91 M N 4.313 123.946 119.600 0.056 0.000 2.211 91 M HA 0.443 4.921 4.480 -0.004 0.000 0.356 91 M C 0.217 176.548 176.300 0.052 0.000 1.216 91 M CA -0.300 55.044 55.300 0.073 0.000 1.134 91 M CB 0.516 33.179 32.600 0.105 0.000 1.564 91 M HN 0.580 nan 8.290 nan 0.000 0.463 92 R N 3.544 124.052 120.500 0.012 0.000 2.288 92 R HA 0.255 4.593 4.340 -0.004 0.000 0.330 92 R C -1.006 175.301 176.300 0.012 0.000 1.069 92 R CA -0.146 55.999 56.100 0.076 0.000 0.941 92 R CB 0.217 30.422 30.300 -0.159 0.000 0.998 92 R HN 0.536 nan 8.270 nan 0.000 0.452 93 V N 5.657 125.599 119.914 0.046 0.000 2.271 93 V HA 0.127 4.245 4.120 -0.004 0.000 0.259 93 V C -0.943 174.875 176.094 -0.460 0.000 1.030 93 V CA -0.740 61.396 62.300 -0.274 0.000 0.957 93 V CB -0.190 31.442 31.823 -0.318 0.000 1.186 93 V HN 0.591 nan 8.190 nan 0.000 0.471 94 Y N 1.789 121.794 120.300 -0.493 0.000 2.486 94 Y HA 0.374 4.922 4.550 -0.004 0.000 0.348 94 Y C 0.880 176.545 175.900 -0.391 0.000 1.000 94 Y CA -0.841 57.028 58.100 -0.384 0.000 1.253 94 Y CB 0.417 38.769 38.460 -0.179 0.000 1.140 94 Y HN 0.464 nan 8.280 nan 0.000 0.526 95 F N 0.215 120.119 119.950 -0.077 0.000 2.746 95 F HA 0.177 4.702 4.527 -0.004 0.000 0.297 95 F C 0.460 176.143 175.800 -0.195 0.000 1.113 95 F CA 0.058 57.984 58.000 -0.123 0.000 1.367 95 F CB 0.609 39.517 39.000 -0.153 0.000 1.111 95 F HN 0.276 nan 8.300 nan 0.000 0.590 96 E N 1.325 121.503 120.200 -0.036 0.000 2.224 96 E HA 0.340 4.687 4.350 -0.004 0.000 0.265 96 E C -0.798 175.762 176.600 -0.068 0.000 0.878 96 E CA -0.928 55.411 56.400 -0.101 0.000 0.759 96 E CB 2.000 31.637 29.700 -0.105 0.000 1.164 96 E HN -0.181 nan 8.360 nan 0.000 0.414 97 K N 3.082 123.417 120.400 -0.108 0.000 2.376 97 K HA 0.408 4.726 4.320 -0.004 0.000 0.257 97 K C -2.591 173.991 176.600 -0.029 0.000 0.939 97 K CA -2.315 53.950 56.287 -0.038 0.000 0.809 97 K CB 2.010 34.485 32.500 -0.042 0.000 1.121 97 K HN 0.367 nan 8.250 nan 0.000 0.425 98 P HA 0.317 nan 4.420 nan 0.000 0.286 98 P C -0.598 176.712 177.300 0.017 0.000 1.269 98 P CA -0.634 62.464 63.100 -0.003 0.000 0.787 98 P CB 1.008 32.698 31.700 -0.017 0.000 0.920 99 R N 2.017 122.529 120.500 0.021 0.000 2.604 99 R HA 0.343 4.680 4.340 -0.004 0.000 0.287 99 R C 1.425 177.743 176.300 0.031 0.000 0.970 99 R CA -0.661 55.462 56.100 0.039 0.000 0.946 99 R CB -0.193 30.137 30.300 0.051 0.000 1.127 99 R HN 0.393 nan 8.270 nan 0.000 0.473 100 T N 0.530 115.107 114.554 0.038 0.000 2.759 100 T HA -0.158 4.189 4.350 -0.004 0.000 0.269 100 T C 1.276 175.993 174.700 0.028 0.000 1.042 100 T CA 2.432 64.550 62.100 0.031 0.000 1.140 100 T CB 0.143 69.032 68.868 0.037 0.000 0.864 100 T HN 0.816 nan 8.240 nan 0.000 0.455 101 T N -1.156 113.419 114.554 0.034 0.000 3.359 101 T HA 0.472 4.820 4.350 -0.004 0.000 0.160 101 T C 0.327 175.050 174.700 0.038 0.000 0.924 101 T CA 0.176 62.296 62.100 0.032 0.000 0.951 101 T CB -0.025 68.863 68.868 0.033 0.000 1.404 101 T HN 0.248 nan 8.240 nan 0.000 0.309 102 V N -1.000 118.944 119.914 0.050 0.000 3.102 102 V HA 0.978 5.096 4.120 -0.004 0.000 0.312 102 V C 0.010 176.155 176.094 0.085 0.000 1.135 102 V CA -0.142 62.196 62.300 0.064 0.000 1.022 102 V CB 0.969 32.831 31.823 0.065 0.000 1.056 102 V HN 1.605 nan 8.190 nan 0.000 0.436 103 G N -0.393 108.476 108.800 0.114 0.000 2.356 103 G HA2 0.251 4.208 3.960 -0.004 0.000 0.300 103 G HA3 0.251 4.208 3.960 -0.004 0.000 0.300 103 G C -1.879 173.149 174.900 0.215 0.000 1.331 103 G CA -0.388 44.804 45.100 0.154 0.000 0.905 103 G HN 1.754 nan 8.290 nan 0.000 0.587 104 W N 1.639 122.965 121.300 0.044 0.000 2.417 104 W HA 0.494 5.151 4.660 -0.005 0.000 0.332 104 W C 1.162 177.716 176.519 0.059 0.000 1.413 104 W CA 0.220 57.590 57.345 0.043 0.000 1.299 104 W CB 0.622 30.087 29.460 0.008 0.000 1.304 104 W HN 0.469 nan 8.180 nan 0.000 0.565 105 K N 4.988 125.173 120.400 -0.358 0.000 2.417 105 K HA 0.368 4.685 4.320 -0.004 0.000 0.196 105 K C 0.635 176.809 176.600 -0.709 0.000 1.023 105 K CA 0.543 56.603 56.287 -0.378 0.000 1.122 105 K CB 0.020 32.416 32.500 -0.173 0.000 0.850 105 K HN 0.710 nan 8.250 nan 0.000 0.521 106 G N 0.565 108.356 108.800 -1.683 0.000 2.423 106 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.684 106 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.684 106 G C -0.021 174.254 174.900 -1.042 0.000 1.309 106 G CA -0.624 43.530 45.100 -1.577 0.000 0.950 106 G HN 0.087 nan 8.290 nan 0.000 0.587 107 L N 0.277 121.331 121.223 -0.282 0.000 2.042 107 L HA 0.040 4.377 4.340 -0.004 0.000 0.210 107 L C 2.839 179.671 176.870 -0.063 0.000 1.076 107 L CA 2.073 56.987 54.840 0.124 0.000 0.749 107 L CB -0.403 41.833 42.059 0.293 0.000 0.893 107 L HN 0.659 nan 8.230 nan 0.000 0.432 108 I N -0.148 120.334 120.570 -0.147 0.000 2.179 108 I HA -0.331 3.836 4.170 -0.004 0.000 0.242 108 I C 2.390 178.418 176.117 -0.149 0.000 1.088 108 I CA 1.769 62.948 61.300 -0.201 0.000 1.357 108 I CB -0.644 37.221 38.000 -0.224 0.000 1.051 108 I HN 0.464 nan 8.210 nan 0.000 0.409 109 N N 0.220 118.835 118.700 -0.143 0.000 2.188 109 N HA -0.174 4.564 4.740 -0.004 0.000 0.184 109 N C 0.149 175.706 175.510 0.078 0.000 1.018 109 N CA 1.355 54.385 53.050 -0.034 0.000 0.858 109 N CB 0.284 38.737 38.487 -0.056 0.000 0.989 109 N HN 0.230 nan 8.380 nan 0.000 0.426 110 D N -0.849 119.540 120.400 -0.019 0.000 2.823 110 D HA 0.196 4.834 4.640 -0.004 0.000 0.255 110 D C -1.933 174.461 176.300 0.157 0.000 1.257 110 D CA -1.297 52.710 54.000 0.012 0.000 0.803 110 D CB 1.063 41.838 40.800 -0.042 0.000 1.384 110 D HN 0.052 nan 8.370 nan 0.000 0.541 111 P HA -0.191 nan 4.420 nan 0.000 0.216 111 P C 0.792 178.070 177.300 -0.036 0.000 1.150 111 P CA 1.177 64.240 63.100 -0.061 0.000 0.843 111 P CB 0.132 31.649 31.700 -0.305 0.000 0.787 112 H N -0.898 118.222 119.070 0.084 0.000 2.547 112 H HA 0.252 4.806 4.556 -0.004 0.000 0.266 112 H C 1.139 176.461 175.328 -0.010 0.000 0.988 112 H CA 0.163 56.227 56.048 0.027 0.000 1.147 112 H CB -0.856 28.904 29.762 -0.003 0.000 1.365 112 H HN 0.160 nan 8.280 nan 0.000 0.589 113 M N 1.432 121.090 119.600 0.095 0.000 2.253 113 M HA -0.220 4.257 4.480 -0.004 0.000 0.199 113 M C -0.670 175.580 176.300 -0.084 0.000 0.342 113 M CA 1.131 56.389 55.300 -0.069 0.000 0.417 113 M CB -1.082 31.326 32.600 -0.320 0.000 1.338 113 M HN 0.350 nan 8.290 nan 0.000 0.920 114 D N -2.096 118.269 120.400 -0.059 0.000 2.651 114 D HA 0.163 4.800 4.640 -0.004 0.000 0.280 114 D C 0.006 176.219 176.300 -0.146 0.000 1.496 114 D CA -0.311 53.644 54.000 -0.075 0.000 0.792 114 D CB -0.051 40.731 40.800 -0.030 0.000 1.144 114 D HN 0.388 nan 8.370 nan 0.000 0.470 115 N N 0.489 118.989 118.700 -0.333 0.000 2.725 115 N HA -0.188 4.550 4.740 -0.004 0.000 0.249 115 N C 0.762 175.926 175.510 -0.577 0.000 1.103 115 N CA 1.151 53.767 53.050 -0.723 0.000 0.707 115 N CB -1.690 36.671 38.487 -0.210 0.000 1.043 115 N HN 0.535 nan 8.380 nan 0.000 0.553 116 S N -1.226 114.251 115.700 -0.370 0.000 2.524 116 S HA 0.136 4.603 4.470 -0.004 0.000 0.216 116 S C 0.665 175.305 174.600 0.067 0.000 0.987 116 S CA -0.118 58.055 58.200 -0.044 0.000 0.909 116 S CB -0.333 62.910 63.200 0.072 0.000 0.781 116 S HN 0.319 nan 8.310 nan 0.000 0.521 117 F N 1.915 121.909 119.950 0.074 0.000 2.907 117 F HA -0.152 4.373 4.527 -0.004 0.000 0.244 117 F C 0.242 176.045 175.800 0.006 0.000 1.007 117 F CA 0.162 58.178 58.000 0.026 0.000 0.872 117 F CB -1.921 37.090 39.000 0.017 0.000 0.767 117 F HN 0.267 nan 8.300 nan 0.000 0.837 118 Q N 1.212 121.063 119.800 0.085 0.000 3.027 118 Q HA 0.260 4.597 4.340 -0.004 0.000 0.260 118 Q C 1.572 177.561 176.000 -0.019 0.000 1.379 118 Q CA 0.067 55.905 55.803 0.058 0.000 1.038 118 Q CB -0.012 28.784 28.738 0.098 0.000 1.578 118 Q HN 0.698 nan 8.270 nan 0.000 0.571 119 I N -0.089 120.484 120.570 0.006 0.000 2.454 119 I HA -0.301 3.867 4.170 -0.004 0.000 0.254 119 I C 1.661 177.715 176.117 -0.105 0.000 1.156 119 I CA 0.645 61.907 61.300 -0.063 0.000 1.433 119 I CB -0.051 37.915 38.000 -0.057 0.000 1.082 119 I HN 0.374 nan 8.210 nan 0.000 0.432 120 N N 0.861 119.529 118.700 -0.054 0.000 2.188 120 N HA -0.160 4.577 4.740 -0.004 0.000 0.184 120 N C 1.378 176.864 175.510 -0.039 0.000 1.018 120 N CA 1.330 54.353 53.050 -0.046 0.000 0.858 120 N CB -0.235 38.254 38.487 0.004 0.000 0.989 120 N HN 0.356 nan 8.380 nan 0.000 0.426 121 D N 0.296 120.680 120.400 -0.027 0.000 2.117 121 D HA -0.045 4.593 4.640 -0.004 0.000 0.198 121 D C 1.969 178.211 176.300 -0.097 0.000 0.982 121 D CA 0.907 54.895 54.000 -0.020 0.000 0.828 121 D CB -0.616 40.195 40.800 0.019 0.000 0.967 121 D HN 0.268 nan 8.370 nan 0.000 0.464 122 G N 0.949 109.656 108.800 -0.155 0.000 2.446 122 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.217 122 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.217 122 G C 1.784 176.523 174.900 -0.270 0.000 1.168 122 G CA 0.438 45.414 45.100 -0.207 0.000 0.771 122 G HN 0.254 nan 8.290 nan 0.000 0.551 123 L N -0.479 120.590 121.223 -0.258 0.000 2.093 123 L HA -0.005 4.332 4.340 -0.004 0.000 0.208 123 L C 3.170 179.925 176.870 -0.190 0.000 1.085 123 L CA 0.924 55.585 54.840 -0.298 0.000 0.755 123 L CB -0.304 41.527 42.059 -0.380 0.000 0.904 123 L HN 0.136 nan 8.230 nan 0.000 0.435 124 R N 0.009 120.463 120.500 -0.077 0.000 2.075 124 R HA -0.087 4.250 4.340 -0.004 0.000 0.232 124 R C 2.302 178.505 176.300 -0.163 0.000 1.126 124 R CA 1.271 57.402 56.100 0.051 0.000 0.963 124 R CB -0.299 30.115 30.300 0.190 0.000 0.858 124 R HN 0.306 nan 8.270 nan 0.000 0.435 125 I N 0.463 120.932 120.570 -0.169 0.000 2.226 125 I HA -0.257 3.910 4.170 -0.004 0.000 0.245 125 I C 2.593 178.521 176.117 -0.316 0.000 1.100 125 I CA 1.222 62.404 61.300 -0.197 0.000 1.374 125 I CB -0.398 37.526 38.000 -0.126 0.000 1.057 125 I HN 0.198 nan 8.210 nan 0.000 0.413 126 A N 0.758 123.279 122.820 -0.497 0.000 1.858 126 A HA -0.246 4.072 4.320 -0.004 0.000 0.216 126 A C 2.451 179.707 177.584 -0.546 0.000 1.190 126 A CA 1.809 53.280 52.037 -0.943 0.000 0.617 126 A CB -0.652 17.455 19.000 -1.489 0.000 0.827 126 A HN 0.333 nan 8.150 nan 0.000 0.443 127 R N -0.554 119.704 120.500 -0.404 0.000 2.092 127 R HA -0.161 4.176 4.340 -0.004 0.000 0.231 127 R C 2.177 178.234 176.300 -0.405 0.000 1.119 127 R CA 1.790 57.728 56.100 -0.270 0.000 0.970 127 R CB -0.149 30.077 30.300 -0.123 0.000 0.864 127 R HN 0.368 nan 8.270 nan 0.000 0.440 128 K N 0.798 120.775 120.400 -0.704 0.000 2.026 128 K HA -0.161 4.156 4.320 -0.004 0.000 0.208 128 K C 1.869 178.285 176.600 -0.307 0.000 1.048 128 K CA 1.428 57.245 56.287 -0.783 0.000 0.929 128 K CB -0.587 31.432 32.500 -0.803 0.000 0.713 128 K HN 0.198 nan 8.250 nan 0.000 0.439 129 L N 0.299 121.414 121.223 -0.179 0.000 2.027 129 L HA -0.018 4.319 4.340 -0.004 0.000 0.206 129 L C 2.077 178.972 176.870 0.041 0.000 1.074 129 L CA 1.499 56.329 54.840 -0.018 0.000 0.745 129 L CB -0.834 41.281 42.059 0.092 0.000 0.898 129 L HN 0.316 nan 8.230 nan 0.000 0.433 130 L N -0.934 120.340 121.223 0.086 0.000 2.083 130 L HA -0.168 4.170 4.340 -0.004 0.000 0.209 130 L C 2.292 179.187 176.870 0.042 0.000 1.083 130 L CA 1.745 56.654 54.840 0.116 0.000 0.752 130 L CB -0.815 41.349 42.059 0.175 0.000 0.899 130 L HN 0.424 nan 8.230 nan 0.000 0.433 131 L N -0.767 120.449 121.223 -0.013 0.000 2.027 131 L HA -0.170 4.167 4.340 -0.004 0.000 0.206 131 L C 2.096 178.971 176.870 0.009 0.000 1.074 131 L CA 1.835 56.674 54.840 -0.003 0.000 0.745 131 L CB -0.935 41.108 42.059 -0.026 0.000 0.898 131 L HN 0.292 nan 8.230 nan 0.000 0.433 132 D N -0.203 120.192 120.400 -0.007 0.000 2.117 132 D HA -0.197 4.440 4.640 -0.004 0.000 0.197 132 D C 2.340 178.654 176.300 0.022 0.000 0.987 132 D CA 1.939 55.944 54.000 0.008 0.000 0.829 132 D CB -0.103 40.697 40.800 -0.001 0.000 0.961 132 D HN 0.446 nan 8.370 nan 0.000 0.460 133 I N 1.248 121.835 120.570 0.030 0.000 2.179 133 I HA -0.242 3.926 4.170 -0.004 0.000 0.242 133 I C 2.202 178.344 176.117 0.041 0.000 1.088 133 I CA 0.815 62.137 61.300 0.038 0.000 1.357 133 I CB -0.258 37.769 38.000 0.045 0.000 1.051 133 I HN -0.021 nan 8.210 nan 0.000 0.409 134 N N 0.652 119.378 118.700 0.043 0.000 2.188 134 N HA -0.219 4.519 4.740 -0.004 0.000 0.184 134 N C 1.514 177.050 175.510 0.043 0.000 1.018 134 N CA 1.687 54.765 53.050 0.047 0.000 0.858 134 N CB -0.322 38.194 38.487 0.047 0.000 0.989 134 N HN 0.380 nan 8.380 nan 0.000 0.426 135 D N 0.635 121.058 120.400 0.037 0.000 2.149 135 D HA -0.111 4.527 4.640 -0.004 0.000 0.198 135 D C 1.879 178.200 176.300 0.035 0.000 0.990 135 D CA 1.414 55.436 54.000 0.036 0.000 0.839 135 D CB -0.056 40.764 40.800 0.033 0.000 0.948 135 D HN 0.207 nan 8.370 nan 0.000 0.460 136 S N -1.534 114.185 115.700 0.032 0.000 2.555 136 S HA 0.140 4.607 4.470 -0.004 0.000 0.230 136 S C 1.775 176.394 174.600 0.033 0.000 0.978 136 S CA 0.816 59.033 58.200 0.028 0.000 0.934 136 S CB -0.008 63.205 63.200 0.022 0.000 0.766 136 S HN 0.532 nan 8.310 nan 0.000 0.533 137 G N -0.045 108.780 108.800 0.042 0.000 2.148 137 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.203 137 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.203 137 G C -0.380 174.551 174.900 0.052 0.000 0.993 137 G CA 0.027 45.157 45.100 0.051 0.000 0.661 137 G HN 0.709 nan 8.290 nan 0.000 0.518 138 L N 1.743 122.996 121.223 0.049 0.000 2.287 138 L HA 0.772 5.110 4.340 -0.004 0.000 0.287 138 L C -2.215 174.691 176.870 0.060 0.000 1.022 138 L CA -2.476 52.395 54.840 0.052 0.000 0.814 138 L CB 1.305 43.394 42.059 0.049 0.000 1.217 138 L HN -0.114 nan 8.230 nan 0.000 0.420 139 P HA 0.393 nan 4.420 nan 0.000 0.272 139 P C -1.442 175.904 177.300 0.076 0.000 1.230 139 P CA -0.318 62.828 63.100 0.076 0.000 0.788 139 P CB 0.936 32.685 31.700 0.082 0.000 0.949 140 A N 1.148 124.021 122.820 0.089 0.000 2.401 140 A HA 0.821 5.139 4.320 -0.004 0.000 0.310 140 A C -1.057 176.605 177.584 0.130 0.000 1.075 140 A CA -0.600 51.485 52.037 0.080 0.000 0.746 140 A CB 1.457 20.484 19.000 0.046 0.000 1.277 140 A HN 0.513 nan 8.150 nan 0.000 0.425 141 A N 0.234 123.143 122.820 0.148 0.000 2.413 141 A HA 0.988 5.305 4.320 -0.004 0.000 0.307 141 A C -0.014 177.602 177.584 0.053 0.000 1.087 141 A CA -0.127 52.077 52.037 0.278 0.000 0.750 141 A CB 1.765 21.059 19.000 0.489 0.000 1.296 141 A HN 2.338 nan 8.150 nan 0.000 0.423 142 G N -0.351 108.318 108.800 -0.217 0.000 2.646 142 G HA2 0.514 4.471 3.960 -0.004 0.000 0.291 142 G HA3 0.514 4.471 3.960 -0.004 0.000 0.291 142 G C -1.516 172.773 174.900 -1.019 0.000 1.445 142 G CA -0.510 44.010 45.100 -0.967 0.000 0.814 142 G HN 0.827 nan 8.290 nan 0.000 0.495 143 E N -0.099 119.347 120.200 -1.256 0.000 2.259 143 E HA 0.437 4.784 4.350 -0.004 0.000 0.281 143 E C -1.006 175.314 176.600 -0.467 0.000 1.027 143 E CA -0.583 55.466 56.400 -0.585 0.000 0.838 143 E CB 0.662 30.188 29.700 -0.290 0.000 1.066 143 E HN 0.183 nan 8.360 nan 0.000 0.401 144 F N 5.656 125.457 119.950 -0.248 0.000 2.334 144 F HA 0.145 4.669 4.527 -0.004 0.000 0.365 144 F C 0.678 176.459 175.800 -0.032 0.000 1.124 144 F CA -0.396 57.518 58.000 -0.144 0.000 1.166 144 F CB 0.801 39.703 39.000 -0.164 0.000 1.355 144 F HN 0.533 nan 8.300 nan 0.000 0.532 145 L N 1.142 122.416 121.223 0.086 0.000 2.349 145 L HA 0.237 4.575 4.340 -0.004 0.000 0.200 145 L C 0.724 177.710 176.870 0.192 0.000 1.064 145 L CA 1.016 55.953 54.840 0.161 0.000 0.821 145 L CB -0.111 41.970 42.059 0.037 0.000 1.027 145 L HN 0.319 nan 8.230 nan 0.000 0.476 146 D N -0.268 120.173 120.400 0.069 0.000 2.304 146 D HA 0.059 4.696 4.640 -0.004 0.000 0.247 146 D C 0.875 177.184 176.300 0.016 0.000 1.089 146 D CA -0.269 53.749 54.000 0.029 0.000 0.910 146 D CB 1.406 42.206 40.800 -0.000 0.000 1.199 146 D HN 0.105 nan 8.370 nan 0.000 0.426 147 M N 3.260 122.847 119.600 -0.022 0.000 2.506 147 M HA 0.054 4.532 4.480 -0.004 0.000 0.260 147 M C 1.648 177.974 176.300 0.044 0.000 1.104 147 M CA 0.492 55.777 55.300 -0.026 0.000 1.112 147 M CB -0.124 32.439 32.600 -0.063 0.000 1.401 147 M HN 0.503 nan 8.290 nan 0.000 0.473 148 I N -0.450 120.159 120.570 0.064 0.000 3.339 148 I HA -0.102 4.066 4.170 -0.004 0.000 0.285 148 I C 2.258 178.499 176.117 0.207 0.000 1.201 148 I CA 0.917 62.287 61.300 0.118 0.000 1.434 148 I CB -0.244 37.822 38.000 0.111 0.000 1.152 148 I HN 0.257 nan 8.210 nan 0.000 0.443 149 T N -0.714 113.926 114.554 0.143 0.000 2.833 149 T HA -0.051 4.297 4.350 -0.004 0.000 0.269 149 T C -0.505 174.347 174.700 0.254 0.000 1.054 149 T CA 0.773 62.972 62.100 0.165 0.000 1.135 149 T CB -1.743 67.115 68.868 -0.016 0.000 0.869 149 T HN 0.117 nan 8.240 nan 0.000 0.466 150 P HA -0.148 nan 4.420 nan 0.000 0.216 150 P C 1.911 179.311 177.300 0.167 0.000 1.154 150 P CA 1.246 64.491 63.100 0.242 0.000 0.865 150 P CB -0.186 31.663 31.700 0.248 0.000 0.789 151 Q N -1.959 117.892 119.800 0.085 0.000 2.234 151 Q HA -0.173 4.164 4.340 -0.004 0.000 0.206 151 Q C 1.870 177.779 176.000 -0.152 0.000 0.980 151 Q CA 1.556 57.305 55.803 -0.091 0.000 0.869 151 Q CB -0.760 27.831 28.738 -0.246 0.000 0.912 151 Q HN 0.505 nan 8.270 nan 0.000 0.436 152 Y N -1.005 119.277 120.300 -0.030 0.000 2.519 152 Y HA 0.039 4.587 4.550 -0.004 0.000 0.287 152 Y C 1.861 177.744 175.900 -0.029 0.000 1.128 152 Y CA 0.580 58.655 58.100 -0.042 0.000 1.282 152 Y CB 0.374 38.801 38.460 -0.056 0.000 1.027 152 Y HN -0.015 nan 8.280 nan 0.000 0.551 153 L N -2.587 118.722 121.223 0.143 0.000 3.227 153 L HA 0.355 4.692 4.340 -0.004 0.000 0.287 153 L C 2.180 179.114 176.870 0.108 0.000 1.161 153 L CA 0.470 55.367 54.840 0.096 0.000 1.048 153 L CB -0.294 41.805 42.059 0.066 0.000 1.541 153 L HN -0.043 nan 8.230 nan 0.000 0.590 154 A N 1.545 124.457 122.820 0.153 0.000 1.997 154 A HA -0.270 4.048 4.320 -0.004 0.000 0.221 154 A C 1.909 179.566 177.584 0.123 0.000 1.172 154 A CA 2.230 54.392 52.037 0.209 0.000 0.645 154 A CB -0.572 18.543 19.000 0.193 0.000 0.813 154 A HN 0.640 nan 8.150 nan 0.000 0.454 155 D N -0.217 120.224 120.400 0.068 0.000 2.310 155 D HA -0.088 4.549 4.640 -0.004 0.000 0.212 155 D C 1.285 177.616 176.300 0.052 0.000 0.965 155 D CA 0.776 54.800 54.000 0.041 0.000 0.879 155 D CB -0.319 40.489 40.800 0.013 0.000 0.921 155 D HN 0.517 nan 8.370 nan 0.000 0.510 156 L N -0.506 120.759 121.223 0.070 0.000 2.769 156 L HA 0.212 4.549 4.340 -0.004 0.000 0.240 156 L C 0.306 177.229 176.870 0.088 0.000 1.163 156 L CA -0.224 54.658 54.840 0.070 0.000 0.962 156 L CB 0.207 42.305 42.059 0.066 0.000 1.258 156 L HN -0.129 nan 8.230 nan 0.000 0.513 157 M N -0.757 118.912 119.600 0.115 0.000 2.268 157 M HA 0.270 4.748 4.480 -0.004 0.000 0.344 157 M C 0.861 177.256 176.300 0.159 0.000 1.106 157 M CA 0.071 55.459 55.300 0.146 0.000 1.010 157 M CB 1.437 34.170 32.600 0.222 0.000 1.649 157 M HN -0.174 nan 8.290 nan 0.000 0.443 158 S N 1.632 117.440 115.700 0.180 0.000 2.503 158 S HA 0.131 4.599 4.470 -0.004 0.000 0.215 158 S C -0.356 174.429 174.600 0.308 0.000 1.003 158 S CA -0.070 58.247 58.200 0.196 0.000 0.910 158 S CB 0.369 63.671 63.200 0.170 0.000 0.790 158 S HN 0.737 nan 8.310 nan 0.000 0.514 159 W N -0.200 121.159 121.300 0.098 0.000 3.363 159 W HA 0.559 5.218 4.660 -0.003 0.000 0.306 159 W C -0.948 175.657 176.519 0.143 0.000 1.253 159 W CA -0.619 56.789 57.345 0.105 0.000 1.195 159 W CB 0.656 30.176 29.460 0.100 0.000 1.366 159 W HN -0.022 nan 8.180 nan 0.000 0.551 160 G N 1.695 110.114 108.800 -0.635 0.000 2.574 160 G HA2 0.835 4.792 3.960 -0.004 0.000 0.299 160 G HA3 0.835 4.792 3.960 -0.004 0.000 0.299 160 G C -1.876 172.285 174.900 -1.231 0.000 1.298 160 G CA -0.466 44.349 45.100 -0.474 0.000 0.952 160 G HN 1.001 nan 8.290 nan 0.000 0.477 161 A N 0.804 123.211 122.820 -0.688 0.000 2.386 161 A HA 0.759 5.077 4.320 -0.004 0.000 0.311 161 A C -0.928 176.454 177.584 -0.336 0.000 1.068 161 A CA -0.589 51.089 52.037 -0.597 0.000 0.743 161 A CB 1.321 20.218 19.000 -0.170 0.000 1.258 161 A HN 0.525 nan 8.150 nan 0.000 0.429 162 I N 2.479 122.812 120.570 -0.394 0.000 2.362 162 I HA 0.339 4.506 4.170 -0.004 0.000 0.289 162 I C 1.146 177.186 176.117 -0.128 0.000 0.994 162 I CA -0.203 60.946 61.300 -0.253 0.000 1.158 162 I CB 0.604 38.400 38.000 -0.340 0.000 1.315 162 I HN 0.812 nan 8.210 nan 0.000 0.451 163 G N 4.026 112.766 108.800 -0.101 0.000 2.664 163 G HA2 0.262 4.219 3.960 -0.004 0.000 0.242 163 G HA3 0.262 4.219 3.960 -0.004 0.000 0.242 163 G C 1.022 175.887 174.900 -0.057 0.000 1.225 163 G CA 0.238 45.296 45.100 -0.071 0.000 0.849 163 G HN 0.789 nan 8.290 nan 0.000 0.581 164 A N 0.946 123.739 122.820 -0.045 0.000 1.940 164 A HA -0.112 4.205 4.320 -0.004 0.000 0.219 164 A C 2.359 179.922 177.584 -0.035 0.000 1.176 164 A CA 1.506 53.530 52.037 -0.022 0.000 0.631 164 A CB -0.235 18.752 19.000 -0.023 0.000 0.814 164 A HN 0.677 nan 8.150 nan 0.000 0.446 165 R N -0.701 119.764 120.500 -0.059 0.000 2.307 165 R HA 0.006 4.344 4.340 -0.004 0.000 0.199 165 R C 1.001 177.233 176.300 -0.113 0.000 1.000 165 R CA 1.290 57.351 56.100 -0.066 0.000 1.023 165 R CB -0.100 30.166 30.300 -0.055 0.000 0.908 165 R HN 0.699 nan 8.270 nan 0.000 0.473 166 T N -5.673 108.778 114.554 -0.170 0.000 3.087 166 T HA 0.105 4.453 4.350 -0.004 0.000 0.283 166 T C 1.446 176.053 174.700 -0.155 0.000 0.956 166 T CA -0.250 61.664 62.100 -0.309 0.000 0.894 166 T CB 0.586 68.951 68.868 -0.837 0.000 1.160 166 T HN -0.173 nan 8.240 nan 0.000 0.532 167 T N 2.437 116.975 114.554 -0.025 0.000 2.803 167 T HA -0.078 4.269 4.350 -0.004 0.000 0.269 167 T C 1.568 176.276 174.700 0.013 0.000 1.052 167 T CA 1.651 63.816 62.100 0.108 0.000 1.136 167 T CB -0.211 68.736 68.868 0.131 0.000 0.864 167 T HN 0.581 nan 8.240 nan 0.000 0.467 168 E N 0.828 121.016 120.200 -0.021 0.000 2.481 168 E HA 0.055 4.403 4.350 -0.004 0.000 0.195 168 E C 0.619 177.205 176.600 -0.023 0.000 1.047 168 E CA -0.198 56.180 56.400 -0.037 0.000 0.867 168 E CB 0.159 29.843 29.700 -0.028 0.000 0.858 168 E HN 0.240 nan 8.360 nan 0.000 0.513 169 S N 0.583 116.285 115.700 0.003 0.000 2.488 169 S HA -0.032 4.436 4.470 -0.004 0.000 0.278 169 S C 0.857 175.477 174.600 0.034 0.000 1.259 169 S CA -0.277 57.953 58.200 0.050 0.000 1.061 169 S CB 1.364 64.659 63.200 0.158 0.000 0.910 169 S HN 0.363 nan 8.310 nan 0.000 0.491 170 Q N 3.999 123.789 119.800 -0.018 0.000 2.170 170 Q HA -0.107 4.230 4.340 -0.004 0.000 0.203 170 Q C 1.762 177.659 176.000 -0.172 0.000 0.976 170 Q CA 2.001 57.753 55.803 -0.085 0.000 0.858 170 Q CB -0.222 28.479 28.738 -0.062 0.000 0.907 170 Q HN 0.897 nan 8.270 nan 0.000 0.433 171 V N -2.351 117.482 119.914 -0.136 0.000 2.515 171 V HA -0.195 3.922 4.120 -0.004 0.000 0.250 171 V C 1.408 177.271 176.094 -0.385 0.000 1.058 171 V CA 2.017 64.147 62.300 -0.284 0.000 1.064 171 V CB -0.821 30.861 31.823 -0.233 0.000 0.675 171 V HN 0.350 nan 8.190 nan 0.000 0.461 172 H N 0.420 119.395 119.070 -0.159 0.000 2.448 172 H HA 0.213 4.766 4.556 -0.004 0.000 0.292 172 H C 2.490 177.755 175.328 -0.105 0.000 1.035 172 H CA 1.461 57.441 56.048 -0.113 0.000 1.349 172 H CB -0.086 29.659 29.762 -0.028 0.000 1.425 172 H HN 0.342 nan 8.280 nan 0.000 0.539 173 R N 0.562 121.052 120.500 -0.017 0.000 2.092 173 R HA -0.092 4.245 4.340 -0.004 0.000 0.231 173 R C 1.895 178.004 176.300 -0.317 0.000 1.119 173 R CA 1.328 57.386 56.100 -0.070 0.000 0.970 173 R CB 0.011 30.214 30.300 -0.162 0.000 0.864 173 R HN 0.487 nan 8.270 nan 0.000 0.440 174 E N 0.627 120.481 120.200 -0.575 0.000 2.051 174 E HA -0.217 4.130 4.350 -0.004 0.000 0.192 174 E C 1.931 178.144 176.600 -0.647 0.000 0.991 174 E CA 1.084 56.933 56.400 -0.919 0.000 0.799 174 E CB -0.148 28.690 29.700 -1.437 0.000 0.748 174 E HN 0.097 nan 8.360 nan 0.000 0.449 175 L N 1.148 122.049 121.223 -0.537 0.000 2.012 175 L HA -0.183 4.154 4.340 -0.004 0.000 0.210 175 L C 2.223 178.974 176.870 -0.198 0.000 1.073 175 L CA 2.175 56.850 54.840 -0.275 0.000 0.748 175 L CB -0.632 41.272 42.059 -0.258 0.000 0.891 175 L HN 0.060 nan 8.230 nan 0.000 0.431 176 A N -0.903 121.803 122.820 -0.190 0.000 1.933 176 A HA -0.213 4.104 4.320 -0.004 0.000 0.218 176 A C 2.461 179.994 177.584 -0.084 0.000 1.175 176 A CA 1.884 53.813 52.037 -0.179 0.000 0.628 176 A CB -1.171 17.803 19.000 -0.043 0.000 0.814 176 A HN 0.695 nan 8.150 nan 0.000 0.444 177 S N -0.957 114.728 115.700 -0.024 0.000 2.469 177 S HA 0.080 4.548 4.470 -0.004 0.000 0.238 177 S C 1.515 176.163 174.600 0.079 0.000 0.998 177 S CA 1.344 59.587 58.200 0.072 0.000 0.957 177 S CB -0.459 62.848 63.200 0.179 0.000 0.764 177 S HN 0.740 nan 8.310 nan 0.000 0.514 178 G N 0.187 109.019 108.800 0.054 0.000 3.228 178 G HA2 0.431 4.389 3.960 -0.004 0.000 0.245 178 G HA3 0.431 4.389 3.960 -0.004 0.000 0.245 178 G C 0.148 175.021 174.900 -0.044 0.000 1.051 178 G CA -0.524 44.604 45.100 0.046 0.000 0.809 178 G HN 0.425 nan 8.290 nan 0.000 0.531 179 L N 1.173 122.316 121.223 -0.133 0.000 2.397 179 L HA 0.185 4.523 4.340 -0.004 0.000 0.271 179 L C 1.337 178.122 176.870 -0.142 0.000 1.148 179 L CA -0.377 54.330 54.840 -0.223 0.000 0.825 179 L CB 1.585 43.368 42.059 -0.460 0.000 1.117 179 L HN -0.007 nan 8.230 nan 0.000 0.456 180 S N 0.347 115.982 115.700 -0.109 0.000 2.603 180 S HA 0.014 4.482 4.470 -0.004 0.000 0.220 180 S C 0.262 174.835 174.600 -0.046 0.000 0.967 180 S CA -0.298 57.866 58.200 -0.061 0.000 0.920 180 S CB -0.327 62.852 63.200 -0.036 0.000 0.773 180 S HN 0.780 nan 8.310 nan 0.000 0.529 181 C N 0.154 119.409 119.300 -0.075 0.000 2.595 181 C HA 0.784 5.241 4.460 -0.004 0.000 0.338 181 C C -3.053 171.902 174.990 -0.059 0.000 1.219 181 C CA -3.086 55.918 59.018 -0.024 0.000 1.811 181 C CB 0.778 28.530 27.740 0.020 0.000 2.313 181 C HN 0.039 nan 8.230 nan 0.000 0.499 182 P HA 0.401 nan 4.420 nan 0.000 0.272 182 P C -0.914 176.236 177.300 -0.251 0.000 1.230 182 P CA -0.031 63.098 63.100 0.049 0.000 0.788 182 P CB 0.509 32.392 31.700 0.306 0.000 0.949 183 V N 1.426 121.146 119.914 -0.324 0.000 2.686 183 V HA 0.659 4.776 4.120 -0.004 0.000 0.306 183 V C 0.373 176.005 176.094 -0.770 0.000 1.065 183 V CA -0.568 61.308 62.300 -0.707 0.000 0.894 183 V CB 2.098 33.523 31.823 -0.663 0.000 1.004 183 V HN 0.702 nan 8.190 nan 0.000 0.424 184 G N 2.606 110.804 108.800 -1.004 0.000 2.372 184 G HA2 0.685 4.642 3.960 -0.004 0.000 0.323 184 G HA3 0.685 4.642 3.960 -0.004 0.000 0.323 184 G C -1.305 173.243 174.900 -0.588 0.000 1.152 184 G CA -0.340 44.278 45.100 -0.805 0.000 0.906 184 G HN 0.410 nan 8.290 nan 0.000 0.460 185 F N 1.688 121.512 119.950 -0.211 0.000 2.388 185 F HA 0.373 4.897 4.527 -0.004 0.000 0.358 185 F C 0.980 176.767 175.800 -0.022 0.000 1.122 185 F CA -0.670 57.268 58.000 -0.104 0.000 1.056 185 F CB 1.935 40.883 39.000 -0.087 0.000 1.155 185 F HN 0.131 nan 8.300 nan 0.000 0.461 186 K N 3.745 124.227 120.400 0.137 0.000 2.237 186 K HA 0.126 4.443 4.320 -0.004 0.000 0.270 186 K C 0.297 176.962 176.600 0.108 0.000 1.015 186 K CA -0.570 55.785 56.287 0.113 0.000 0.949 186 K CB 0.593 33.126 32.500 0.055 0.000 0.976 186 K HN 0.709 nan 8.250 nan 0.000 0.472 187 N N 0.231 118.988 118.700 0.095 0.000 2.354 187 N HA 0.020 4.758 4.740 -0.004 0.000 0.246 187 N C 0.281 175.819 175.510 0.047 0.000 1.285 187 N CA -0.541 52.553 53.050 0.072 0.000 0.925 187 N CB 0.353 38.884 38.487 0.074 0.000 1.174 187 N HN 0.513 nan 8.380 nan 0.000 0.478 188 G N -0.995 107.825 108.800 0.034 0.000 2.614 188 G HA2 0.065 4.022 3.960 -0.004 0.000 0.239 188 G HA3 0.065 4.022 3.960 -0.004 0.000 0.239 188 G C 1.316 176.229 174.900 0.022 0.000 1.240 188 G CA 0.079 45.191 45.100 0.020 0.000 0.842 188 G HN 0.740 nan 8.290 nan 0.000 0.584 189 T N -1.654 112.908 114.554 0.014 0.000 2.977 189 T HA -0.167 4.181 4.350 -0.004 0.000 0.271 189 T C 1.451 176.166 174.700 0.025 0.000 1.105 189 T CA 1.685 63.796 62.100 0.019 0.000 1.116 189 T CB -0.072 68.805 68.868 0.014 0.000 0.878 189 T HN 0.621 nan 8.240 nan 0.000 0.509 190 D N 0.689 121.102 120.400 0.022 0.000 2.339 190 D HA 0.197 4.834 4.640 -0.004 0.000 0.217 190 D C 1.642 177.958 176.300 0.028 0.000 1.050 190 D CA 0.626 54.640 54.000 0.023 0.000 0.856 190 D CB -0.472 40.339 40.800 0.019 0.000 0.922 190 D HN 0.598 nan 8.370 nan 0.000 0.518 191 G N 0.192 109.011 108.800 0.032 0.000 2.176 191 G HA2 -0.252 3.705 3.960 -0.004 0.000 0.232 191 G HA3 -0.252 3.705 3.960 -0.004 0.000 0.232 191 G C 0.390 175.316 174.900 0.043 0.000 0.986 191 G CA 0.171 45.294 45.100 0.039 0.000 0.643 191 G HN 0.400 nan 8.290 nan 0.000 0.522 192 T N 2.156 116.730 114.554 0.033 0.000 2.831 192 T HA 0.303 4.651 4.350 -0.004 0.000 0.291 192 T C 1.835 176.555 174.700 0.034 0.000 0.981 192 T CA 0.271 62.388 62.100 0.029 0.000 1.174 192 T CB 0.857 69.736 68.868 0.017 0.000 0.929 192 T HN 0.169 nan 8.240 nan 0.000 0.532 193 I N 2.952 123.545 120.570 0.037 0.000 2.585 193 I HA 0.020 4.187 4.170 -0.004 0.000 0.254 193 I C 2.341 178.471 176.117 0.023 0.000 1.129 193 I CA 0.938 62.263 61.300 0.042 0.000 1.455 193 I CB -0.797 37.234 38.000 0.051 0.000 1.111 193 I HN 0.673 nan 8.210 nan 0.000 0.433 194 K N 1.686 122.093 120.400 0.012 0.000 2.074 194 K HA -0.186 4.131 4.320 -0.004 0.000 0.209 194 K C 2.106 178.692 176.600 -0.024 0.000 1.048 194 K CA 2.160 58.444 56.287 -0.004 0.000 0.926 194 K CB -0.002 32.495 32.500 -0.005 0.000 0.713 194 K HN 0.292 nan 8.250 nan 0.000 0.444 195 V N -1.668 118.233 119.914 -0.022 0.000 2.490 195 V HA -0.152 3.965 4.120 -0.004 0.000 0.250 195 V C 2.204 178.248 176.094 -0.084 0.000 1.061 195 V CA 1.786 64.058 62.300 -0.046 0.000 1.064 195 V CB -1.058 30.748 31.823 -0.028 0.000 0.670 195 V HN 0.342 nan 8.190 nan 0.000 0.461 196 A N 0.616 123.408 122.820 -0.047 0.000 1.898 196 A HA 0.095 4.412 4.320 -0.004 0.000 0.214 196 A C 2.198 179.713 177.584 -0.114 0.000 1.183 196 A CA 1.675 53.677 52.037 -0.058 0.000 0.622 196 A CB -0.552 18.482 19.000 0.056 0.000 0.824 196 A HN 0.540 nan 8.150 nan 0.000 0.444 197 I N 0.051 120.588 120.570 -0.056 0.000 2.179 197 I HA -0.239 3.928 4.170 -0.004 0.000 0.242 197 I C 1.811 177.867 176.117 -0.103 0.000 1.088 197 I CA 1.478 62.748 61.300 -0.050 0.000 1.357 197 I CB -0.468 37.523 38.000 -0.015 0.000 1.051 197 I HN 0.248 nan 8.210 nan 0.000 0.409 198 D N 1.142 121.475 120.400 -0.111 0.000 2.117 198 D HA -0.154 4.483 4.640 -0.004 0.000 0.197 198 D C 2.256 178.426 176.300 -0.217 0.000 0.987 198 D CA 1.580 55.507 54.000 -0.122 0.000 0.829 198 D CB -0.178 40.566 40.800 -0.094 0.000 0.961 198 D HN 0.349 nan 8.370 nan 0.000 0.460 199 A N 0.795 123.394 122.820 -0.368 0.000 1.902 199 A HA -0.155 4.162 4.320 -0.004 0.000 0.217 199 A C 2.397 179.502 177.584 -0.799 0.000 1.181 199 A CA 0.935 52.538 52.037 -0.724 0.000 0.623 199 A CB -0.725 17.536 19.000 -1.231 0.000 0.818 199 A HN 0.197 nan 8.150 nan 0.000 0.443 200 I N -0.030 120.201 120.570 -0.565 0.000 2.163 200 I HA -0.283 3.884 4.170 -0.004 0.000 0.243 200 I C 2.239 178.292 176.117 -0.107 0.000 1.085 200 I CA 1.329 62.489 61.300 -0.232 0.000 1.347 200 I CB -0.462 37.510 38.000 -0.047 0.000 1.044 200 I HN 0.328 nan 8.210 nan 0.000 0.408 201 N N 0.953 119.594 118.700 -0.098 0.000 2.166 201 N HA -0.127 4.611 4.740 -0.004 0.000 0.186 201 N C 1.879 177.377 175.510 -0.020 0.000 1.019 201 N CA 1.610 54.636 53.050 -0.040 0.000 0.856 201 N CB -0.273 38.192 38.487 -0.036 0.000 0.993 201 N HN 0.365 nan 8.380 nan 0.000 0.426 202 A N 1.032 123.821 122.820 -0.052 0.000 1.873 202 A HA 0.041 4.358 4.320 -0.004 0.000 0.215 202 A C 2.314 179.987 177.584 0.148 0.000 1.186 202 A CA 1.868 53.931 52.037 0.044 0.000 0.616 202 A CB -0.817 18.168 19.000 -0.024 0.000 0.823 202 A HN 0.304 nan 8.150 nan 0.000 0.442 203 A N -0.684 122.149 122.820 0.022 0.000 2.067 203 A HA 0.187 4.505 4.320 -0.004 0.000 0.219 203 A C 2.164 179.826 177.584 0.130 0.000 1.158 203 A CA 1.590 53.684 52.037 0.096 0.000 0.661 203 A CB -1.010 18.099 19.000 0.182 0.000 0.801 203 A HN 0.744 nan 8.150 nan 0.000 0.452 204 G N -1.069 107.787 108.800 0.094 0.000 2.744 204 G HA2 0.374 4.331 3.960 -0.004 0.000 0.211 204 G HA3 0.374 4.331 3.960 -0.004 0.000 0.211 204 G C 0.604 175.548 174.900 0.072 0.000 1.143 204 G CA 0.714 45.863 45.100 0.081 0.000 0.788 204 G HN 0.782 nan 8.290 nan 0.000 0.534 205 A N 0.573 123.443 122.820 0.083 0.000 2.282 205 A HA 0.768 5.085 4.320 -0.004 0.000 0.319 205 A C -2.389 175.206 177.584 0.019 0.000 1.121 205 A CA -1.628 50.414 52.037 0.008 0.000 0.836 205 A CB 1.349 20.302 19.000 -0.079 0.000 1.146 205 A HN 0.091 nan 8.150 nan 0.000 0.494 206 P HA 0.275 nan 4.420 nan 0.000 0.275 206 P C -1.002 176.220 177.300 -0.130 0.000 1.228 206 P CA 0.354 63.452 63.100 -0.004 0.000 0.786 206 P CB 0.712 32.402 31.700 -0.017 0.000 0.927 207 H N -0.171 118.967 119.070 0.114 0.000 2.928 207 H HA 0.350 4.903 4.556 -0.004 0.000 0.371 207 H C -0.705 174.731 175.328 0.181 0.000 1.186 207 H CA -0.462 55.697 56.048 0.185 0.000 1.134 207 H CB 2.299 32.236 29.762 0.291 0.000 1.824 207 H HN 0.457 nan 8.280 nan 0.000 0.554 208 C N 4.651 124.139 119.300 0.312 0.000 2.364 208 C HA 0.717 5.175 4.460 -0.004 0.000 0.324 208 C C -1.184 173.953 174.990 0.244 0.000 1.234 208 C CA -0.447 58.640 59.018 0.115 0.000 1.417 208 C CB -1.571 26.196 27.740 0.045 0.000 2.101 208 C HN 0.688 nan 8.230 nan 0.000 0.466 209 F N 3.520 123.493 119.950 0.039 0.000 2.817 209 F HA 0.706 5.230 4.527 -0.004 0.000 0.317 209 F C -1.809 173.997 175.800 0.010 0.000 1.168 209 F CA -1.465 56.548 58.000 0.021 0.000 0.911 209 F CB 0.599 39.605 39.000 0.009 0.000 1.337 209 F HN 0.340 nan 8.300 nan 0.000 0.464 210 L N 2.051 123.405 121.223 0.218 0.000 2.312 210 L HA 0.702 5.039 4.340 -0.004 0.000 0.281 210 L C 0.061 177.041 176.870 0.184 0.000 1.070 210 L CA -0.506 54.397 54.840 0.105 0.000 0.805 210 L CB 1.339 43.453 42.059 0.093 0.000 1.174 210 L HN 0.825 nan 8.230 nan 0.000 0.434 211 S N 1.601 117.344 115.700 0.071 0.000 2.596 211 S HA 0.579 5.046 4.470 -0.004 0.000 0.270 211 S C -1.131 173.503 174.600 0.056 0.000 1.155 211 S CA -0.573 57.687 58.200 0.100 0.000 0.827 211 S CB 1.953 65.218 63.200 0.108 0.000 1.130 211 S HN 0.201 nan 8.310 nan 0.000 0.467 212 V N 3.797 123.748 119.914 0.062 0.000 2.432 212 V HA 0.428 4.546 4.120 -0.004 0.000 0.275 212 V C 1.107 177.208 176.094 0.012 0.000 1.043 212 V CA -0.217 62.114 62.300 0.052 0.000 0.925 212 V CB 0.814 32.674 31.823 0.061 0.000 0.985 212 V HN 1.034 nan 8.190 nan 0.000 0.466 213 T N 1.936 116.503 114.554 0.021 0.000 2.732 213 T HA 0.184 4.532 4.350 -0.004 0.000 0.287 213 T C 1.131 175.736 174.700 -0.159 0.000 0.993 213 T CA -0.185 61.906 62.100 -0.015 0.000 0.966 213 T CB 0.473 69.419 68.868 0.129 0.000 1.047 213 T HN 0.784 nan 8.240 nan 0.000 0.527 214 K N -0.878 119.338 120.400 -0.308 0.000 2.442 214 K HA -0.053 4.264 4.320 -0.004 0.000 0.198 214 K C 1.043 177.225 176.600 -0.698 0.000 1.042 214 K CA 0.840 56.791 56.287 -0.560 0.000 0.958 214 K CB -0.344 31.755 32.500 -0.669 0.000 0.766 214 K HN 0.751 nan 8.250 nan 0.000 0.474 215 W N 0.960 122.087 121.300 -0.288 0.000 3.256 215 W HA 0.276 4.933 4.660 -0.004 0.000 0.269 215 W C 0.935 177.094 176.519 -0.599 0.000 1.310 215 W CA 0.281 57.359 57.345 -0.446 0.000 1.673 215 W CB 0.377 29.515 29.460 -0.537 0.000 1.115 215 W HN 0.350 nan 8.180 nan 0.000 0.686 216 G N 0.409 109.074 108.800 -0.225 0.000 2.136 216 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.242 216 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.242 216 G C -0.231 174.722 174.900 0.087 0.000 0.989 216 G CA -0.088 44.966 45.100 -0.076 0.000 0.682 216 G HN 0.520 nan 8.290 nan 0.000 0.522 217 H N 0.181 119.316 119.070 0.108 0.000 2.524 217 H HA 0.602 5.155 4.556 -0.004 0.000 0.353 217 H C 0.581 175.946 175.328 0.062 0.000 1.136 217 H CA -0.445 55.653 56.048 0.082 0.000 1.193 217 H CB 1.578 31.392 29.762 0.087 0.000 1.558 217 H HN 0.345 nan 8.280 nan 0.000 0.515 218 S N 1.709 117.511 115.700 0.171 0.000 2.580 218 S HA 0.686 5.153 4.470 -0.004 0.000 0.274 218 S C 0.074 174.724 174.600 0.083 0.000 1.329 218 S CA -0.502 57.758 58.200 0.099 0.000 1.036 218 S CB 1.415 64.656 63.200 0.070 0.000 0.919 218 S HN 0.801 nan 8.310 nan 0.000 0.515 219 A N 1.743 124.593 122.820 0.049 0.000 2.581 219 A HA 0.694 5.011 4.320 -0.004 0.000 0.290 219 A C -1.047 176.523 177.584 -0.023 0.000 1.119 219 A CA -1.033 51.017 52.037 0.021 0.000 0.670 219 A CB 0.715 19.736 19.000 0.035 0.000 1.280 219 A HN 0.818 nan 8.150 nan 0.000 0.425 220 I N 1.311 121.854 120.570 -0.044 0.000 2.342 220 I HA 0.477 4.645 4.170 -0.004 0.000 0.291 220 I C -0.206 175.821 176.117 -0.149 0.000 1.010 220 I CA -0.687 60.561 61.300 -0.087 0.000 1.308 220 I CB 1.489 39.455 38.000 -0.057 0.000 1.400 220 I HN 0.560 nan 8.210 nan 0.000 0.488 221 V N 2.730 122.469 119.914 -0.292 0.000 2.680 221 V HA 0.632 4.749 4.120 -0.004 0.000 0.309 221 V C -0.827 175.022 176.094 -0.409 0.000 1.052 221 V CA -0.667 61.417 62.300 -0.359 0.000 0.908 221 V CB 1.948 33.490 31.823 -0.469 0.000 1.001 221 V HN 0.701 nan 8.190 nan 0.000 0.431 222 N N 1.989 120.548 118.700 -0.235 0.000 2.342 222 N HA 0.741 5.478 4.740 -0.004 0.000 0.293 222 N C -0.251 175.208 175.510 -0.085 0.000 1.026 222 N CA -0.339 52.629 53.050 -0.137 0.000 0.857 222 N CB 2.115 40.560 38.487 -0.071 0.000 1.256 222 N HN 1.082 nan 8.380 nan 0.000 0.484 223 T N -2.376 112.179 114.554 0.002 0.000 2.952 223 T HA 0.433 4.781 4.350 -0.004 0.000 0.286 223 T C 0.988 175.725 174.700 0.062 0.000 1.024 223 T CA -0.636 61.499 62.100 0.059 0.000 1.029 223 T CB 1.371 70.346 68.868 0.179 0.000 1.094 223 T HN 0.372 nan 8.240 nan 0.000 0.515 224 S N -0.265 115.465 115.700 0.050 0.000 2.486 224 S HA 0.527 4.994 4.470 -0.004 0.000 0.220 224 S C 1.258 175.890 174.600 0.053 0.000 1.011 224 S CA 0.109 58.331 58.200 0.036 0.000 0.921 224 S CB -0.834 62.377 63.200 0.018 0.000 0.785 224 S HN 2.105 nan 8.310 nan 0.000 0.517 225 G N 1.101 109.951 108.800 0.083 0.000 2.674 225 G HA2 0.010 3.968 3.960 -0.004 0.000 0.686 225 G HA3 0.010 3.968 3.960 -0.004 0.000 0.686 225 G C -1.354 173.587 174.900 0.068 0.000 1.195 225 G CA -0.656 44.502 45.100 0.097 0.000 0.776 225 G HN 0.388 nan 8.290 nan 0.000 0.654 226 N N 0.583 119.328 118.700 0.074 0.000 2.518 226 N HA 0.522 5.260 4.740 -0.004 0.000 0.254 226 N C 1.281 176.838 175.510 0.079 0.000 0.979 226 N CA 0.385 53.468 53.050 0.056 0.000 0.930 226 N CB 1.276 39.781 38.487 0.031 0.000 1.152 226 N HN 1.048 nan 8.380 nan 0.000 0.505 227 G N 1.369 110.218 108.800 0.081 0.000 2.813 227 G HA2 -0.084 3.874 3.960 -0.004 0.000 0.209 227 G HA3 -0.084 3.874 3.960 -0.004 0.000 0.209 227 G C 0.227 175.212 174.900 0.141 0.000 1.150 227 G CA 0.118 45.281 45.100 0.105 0.000 0.785 227 G HN 0.531 nan 8.290 nan 0.000 0.535 228 D N 0.658 121.144 120.400 0.144 0.000 3.168 228 D HA 0.241 4.879 4.640 -0.004 0.000 0.255 228 D C -0.128 176.279 176.300 0.179 0.000 1.314 228 D CA -0.047 54.068 54.000 0.192 0.000 0.900 228 D CB 0.147 41.072 40.800 0.208 0.000 1.072 228 D HN 0.024 nan 8.370 nan 0.000 0.487 229 C N 0.537 119.943 119.300 0.176 0.000 2.435 229 C HA 0.671 5.128 4.460 -0.004 0.000 0.333 229 C C 0.161 175.295 174.990 0.239 0.000 1.202 229 C CA -0.692 58.424 59.018 0.163 0.000 1.830 229 C CB 0.686 28.576 27.740 0.250 0.000 2.326 229 C HN 0.599 nan 8.230 nan 0.000 0.507 230 H N -0.386 118.822 119.070 0.230 0.000 2.990 230 H HA 0.728 5.281 4.556 -0.004 0.000 0.343 230 H C -1.068 174.411 175.328 0.252 0.000 1.270 230 H CA -0.931 55.246 56.048 0.216 0.000 1.118 230 H CB 0.682 30.564 29.762 0.201 0.000 1.861 230 H HN 0.650 nan 8.280 nan 0.000 0.544 231 I N 1.134 121.908 120.570 0.341 0.000 2.713 231 I HA 0.406 4.573 4.170 -0.004 0.000 0.300 231 I C -0.810 175.526 176.117 0.365 0.000 1.009 231 I CA -0.988 60.477 61.300 0.275 0.000 1.305 231 I CB 0.543 38.664 38.000 0.202 0.000 1.430 231 I HN 0.573 nan 8.210 nan 0.000 0.546 232 I N 7.219 127.951 120.570 0.270 0.000 2.439 232 I HA 0.269 4.437 4.170 -0.004 0.000 0.285 232 I C -0.893 175.344 176.117 0.199 0.000 1.021 232 I CA -0.543 60.921 61.300 0.273 0.000 1.091 232 I CB 1.668 39.833 38.000 0.275 0.000 1.242 232 I HN 0.364 nan 8.210 nan 0.000 0.439 233 L N 7.041 128.379 121.223 0.193 0.000 2.278 233 L HA 0.367 4.705 4.340 -0.004 0.000 0.287 233 L C 0.632 177.603 176.870 0.169 0.000 1.072 233 L CA -0.379 54.558 54.840 0.162 0.000 0.819 233 L CB 0.428 42.584 42.059 0.162 0.000 1.176 233 L HN 0.686 nan 8.230 nan 0.000 0.435 234 R N 1.421 122.004 120.500 0.138 0.000 2.600 234 R HA 0.485 4.822 4.340 -0.004 0.000 0.392 234 R C 0.310 176.688 176.300 0.129 0.000 1.032 234 R CA -0.115 56.074 56.100 0.148 0.000 1.139 234 R CB 0.260 30.623 30.300 0.105 0.000 1.400 234 R HN 0.608 nan 8.270 nan 0.000 0.566 235 G N -1.059 107.798 108.800 0.096 0.000 2.829 235 G HA2 0.151 4.108 3.960 -0.004 0.000 0.628 235 G HA3 0.151 4.108 3.960 -0.004 0.000 0.628 235 G C 0.010 174.938 174.900 0.047 0.000 1.412 235 G CA -0.500 44.634 45.100 0.056 0.000 0.864 235 G HN 0.702 nan 8.290 nan 0.000 0.544 236 G N -1.046 107.771 108.800 0.028 0.000 3.354 236 G HA2 0.576 4.534 3.960 -0.004 0.000 0.174 236 G HA3 0.576 4.534 3.960 -0.004 0.000 0.174 236 G C 0.954 175.872 174.900 0.029 0.000 1.140 236 G CA 0.615 45.734 45.100 0.032 0.000 0.897 236 G HN 0.808 nan 8.290 nan 0.000 0.685 237 K N 0.318 120.733 120.400 0.026 0.000 2.211 237 K HA 0.093 4.411 4.320 -0.004 0.000 0.203 237 K C 0.138 176.749 176.600 0.018 0.000 1.050 237 K CA 1.004 57.305 56.287 0.024 0.000 0.945 237 K CB 0.066 32.579 32.500 0.023 0.000 0.732 237 K HN 0.233 nan 8.250 nan 0.000 0.451 238 E N -0.130 120.076 120.200 0.009 0.000 2.369 238 E HA 0.328 4.676 4.350 -0.004 0.000 0.270 238 E C -2.705 173.859 176.600 -0.060 0.000 0.909 238 E CA -2.611 53.782 56.400 -0.012 0.000 0.775 238 E CB 1.519 31.219 29.700 -0.001 0.000 1.270 238 E HN -0.212 nan 8.360 nan 0.000 0.445 239 P HA 0.082 nan 4.420 nan 0.000 0.270 239 P C 0.002 177.024 177.300 -0.463 0.000 1.223 239 P CA -0.033 62.989 63.100 -0.131 0.000 0.785 239 P CB 0.388 32.069 31.700 -0.031 0.000 0.923 240 N N 0.413 118.861 118.700 -0.419 0.000 2.571 240 N HA 0.033 4.771 4.740 -0.004 0.000 0.298 240 N C -0.130 175.194 175.510 -0.311 0.000 1.671 240 N CA -0.501 52.105 53.050 -0.741 0.000 0.900 240 N CB -0.801 37.518 38.487 -0.280 0.000 1.365 240 N HN 0.404 nan 8.380 nan 0.000 0.493 241 Y N -1.260 118.924 120.300 -0.194 0.000 2.478 241 Y HA 0.426 4.973 4.550 -0.005 0.000 0.261 241 Y C 0.753 176.657 175.900 0.006 0.000 1.127 241 Y CA -0.684 57.389 58.100 -0.045 0.000 1.288 241 Y CB -0.620 37.807 38.460 -0.056 0.000 1.084 241 Y HN 0.120 nan 8.280 nan 0.000 0.530 242 S N 0.976 116.486 115.700 -0.317 0.000 2.580 242 S HA 0.316 4.783 4.470 -0.004 0.000 0.266 242 S C 1.656 176.309 174.600 0.088 0.000 1.354 242 S CA -0.167 57.998 58.200 -0.058 0.000 1.008 242 S CB 1.198 64.356 63.200 -0.071 0.000 0.898 242 S HN 0.612 nan 8.310 nan 0.000 0.555 243 A N 1.675 124.536 122.820 0.067 0.000 1.978 243 A HA -0.087 4.230 4.320 -0.004 0.000 0.220 243 A C 2.070 179.674 177.584 0.033 0.000 1.170 243 A CA 1.740 53.810 52.037 0.054 0.000 0.636 243 A CB -0.835 18.186 19.000 0.035 0.000 0.810 243 A HN 0.801 nan 8.150 nan 0.000 0.448 244 K N -0.324 120.078 120.400 0.004 0.000 2.026 244 K HA -0.113 4.205 4.320 -0.004 0.000 0.208 244 K C 1.759 178.292 176.600 -0.113 0.000 1.048 244 K CA 2.020 58.259 56.287 -0.080 0.000 0.929 244 K CB -0.723 31.683 32.500 -0.157 0.000 0.713 244 K HN 0.718 nan 8.250 nan 0.000 0.439 245 H N -0.579 118.467 119.070 -0.041 0.000 2.357 245 H HA -0.017 4.537 4.556 -0.005 0.000 0.301 245 H C 1.891 177.223 175.328 0.007 0.000 1.082 245 H CA 1.343 57.377 56.048 -0.023 0.000 1.342 245 H CB -0.242 29.494 29.762 -0.043 0.000 1.389 245 H HN -0.124 nan 8.280 nan 0.000 0.511 246 V N 0.754 120.752 119.914 0.141 0.000 2.392 246 V HA -0.290 3.828 4.120 -0.004 0.000 0.249 246 V C 2.544 178.678 176.094 0.066 0.000 1.059 246 V CA 1.701 64.063 62.300 0.104 0.000 1.051 246 V CB -0.989 30.892 31.823 0.098 0.000 0.658 246 V HN 0.599 nan 8.190 nan 0.000 0.455 247 A N -0.254 122.590 122.820 0.039 0.000 1.898 247 A HA -0.223 4.095 4.320 -0.004 0.000 0.216 247 A C 2.174 179.767 177.584 0.014 0.000 1.181 247 A CA 1.785 53.834 52.037 0.019 0.000 0.620 247 A CB -0.411 18.588 19.000 -0.000 0.000 0.819 247 A HN 0.641 nan 8.150 nan 0.000 0.442 248 E N -0.291 119.911 120.200 0.003 0.000 2.072 248 E HA -0.107 4.240 4.350 -0.004 0.000 0.191 248 E C 1.954 178.570 176.600 0.026 0.000 0.985 248 E CA 1.232 57.633 56.400 0.000 0.000 0.801 248 E CB -0.300 29.385 29.700 -0.025 0.000 0.750 248 E HN 0.394 nan 8.360 nan 0.000 0.452 249 V N 1.754 121.698 119.914 0.050 0.000 2.407 249 V HA -0.255 3.863 4.120 -0.004 0.000 0.248 249 V C 2.102 178.229 176.094 0.055 0.000 1.055 249 V CA 1.746 64.084 62.300 0.063 0.000 1.049 249 V CB -0.390 31.487 31.823 0.090 0.000 0.662 249 V HN 0.182 nan 8.190 nan 0.000 0.455 250 K N -0.106 120.325 120.400 0.051 0.000 2.057 250 K HA -0.233 4.084 4.320 -0.004 0.000 0.207 250 K C 2.229 178.849 176.600 0.034 0.000 1.049 250 K CA 1.683 57.997 56.287 0.045 0.000 0.931 250 K CB -0.164 32.360 32.500 0.040 0.000 0.714 250 K HN 0.351 nan 8.250 nan 0.000 0.440 251 E N 0.501 120.717 120.200 0.026 0.000 2.072 251 E HA -0.106 4.241 4.350 -0.004 0.000 0.191 251 E C 1.957 178.568 176.600 0.019 0.000 0.985 251 E CA 1.589 58.000 56.400 0.018 0.000 0.801 251 E CB -0.512 29.194 29.700 0.010 0.000 0.750 251 E HN 0.304 nan 8.360 nan 0.000 0.452 252 G N 0.671 109.485 108.800 0.023 0.000 2.440 252 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.218 252 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.218 252 G C 1.625 176.540 174.900 0.025 0.000 1.154 252 G CA 0.975 46.088 45.100 0.022 0.000 0.767 252 G HN 0.309 nan 8.290 nan 0.000 0.552 253 L N 0.359 121.602 121.223 0.034 0.000 2.056 253 L HA -0.067 4.270 4.340 -0.004 0.000 0.207 253 L C 2.788 179.676 176.870 0.030 0.000 1.078 253 L CA 0.858 55.720 54.840 0.037 0.000 0.749 253 L CB -0.399 41.691 42.059 0.053 0.000 0.901 253 L HN 0.136 nan 8.230 nan 0.000 0.433 254 N N 0.275 118.991 118.700 0.028 0.000 2.120 254 N HA -0.226 4.511 4.740 -0.004 0.000 0.188 254 N C 1.787 177.307 175.510 0.017 0.000 1.024 254 N CA 1.227 54.290 53.050 0.022 0.000 0.852 254 N CB -0.189 38.310 38.487 0.020 0.000 1.003 254 N HN 0.297 nan 8.380 nan 0.000 0.424 255 K N 0.899 121.308 120.400 0.015 0.000 2.152 255 K HA -0.025 4.292 4.320 -0.004 0.000 0.206 255 K C 1.393 177.999 176.600 0.009 0.000 1.048 255 K CA 1.221 57.514 56.287 0.010 0.000 0.933 255 K CB -0.014 32.491 32.500 0.009 0.000 0.721 255 K HN 0.103 nan 8.250 nan 0.000 0.447 256 A N 0.022 122.849 122.820 0.011 0.000 2.278 256 A HA 0.224 4.541 4.320 -0.004 0.000 0.212 256 A C 1.052 178.643 177.584 0.011 0.000 1.213 256 A CA 0.639 52.681 52.037 0.008 0.000 0.840 256 A CB -0.281 18.722 19.000 0.006 0.000 0.866 256 A HN 0.507 nan 8.150 nan 0.000 0.489 257 G N -1.002 107.807 108.800 0.014 0.000 2.176 257 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.252 257 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.252 257 G C -0.109 174.805 174.900 0.023 0.000 1.024 257 G CA 0.546 45.656 45.100 0.017 0.000 0.755 257 G HN 0.482 nan 8.290 nan 0.000 0.507 258 L N -0.665 120.575 121.223 0.029 0.000 2.323 258 L HA 0.547 4.884 4.340 -0.004 0.000 0.265 258 L C -2.140 174.757 176.870 0.045 0.000 1.012 258 L CA -2.687 52.177 54.840 0.040 0.000 0.820 258 L CB 2.078 44.164 42.059 0.045 0.000 1.334 258 L HN -0.175 nan 8.230 nan 0.000 0.427 259 P HA 0.020 nan 4.420 nan 0.000 0.264 259 P C -0.706 176.629 177.300 0.057 0.000 1.193 259 P CA -0.151 62.979 63.100 0.051 0.000 0.763 259 P CB 0.645 32.379 31.700 0.057 0.000 0.810 260 A N 4.252 127.100 122.820 0.047 0.000 3.026 260 A HA 0.174 4.491 4.320 -0.004 0.000 0.272 260 A C 0.380 177.996 177.584 0.054 0.000 1.782 260 A CA 0.017 52.084 52.037 0.050 0.000 1.451 260 A CB -0.994 18.029 19.000 0.039 0.000 1.081 260 A HN 0.564 nan 8.150 nan 0.000 0.611 261 Q N 0.164 120.006 119.800 0.070 0.000 2.423 261 Q HA 0.776 5.114 4.340 -0.004 0.000 0.278 261 Q C -0.954 175.104 176.000 0.098 0.000 1.097 261 Q CA -0.939 54.904 55.803 0.066 0.000 0.809 261 Q CB 2.205 30.974 28.738 0.051 0.000 1.391 261 Q HN 0.648 nan 8.270 nan 0.000 0.428 262 V N -1.395 118.569 119.914 0.083 0.000 3.147 262 V HA 0.735 4.853 4.120 -0.004 0.000 0.306 262 V C -1.096 175.051 176.094 0.089 0.000 1.209 262 V CA -1.040 61.336 62.300 0.126 0.000 1.023 262 V CB 2.193 34.096 31.823 0.133 0.000 1.059 262 V HN 1.042 nan 8.190 nan 0.000 0.435 263 M N 3.415 123.110 119.600 0.158 0.000 2.383 263 M HA 0.714 5.191 4.480 -0.004 0.000 0.325 263 M C -1.818 174.583 176.300 0.169 0.000 1.092 263 M CA -0.714 54.654 55.300 0.114 0.000 0.961 263 M CB 1.755 34.470 32.600 0.192 0.000 1.672 263 M HN 0.780 nan 8.290 nan 0.000 0.438 264 I N 3.584 124.247 120.570 0.154 0.000 2.382 264 I HA 0.252 4.419 4.170 -0.004 0.000 0.286 264 I C -0.805 175.450 176.117 0.231 0.000 1.002 264 I CA -0.755 60.689 61.300 0.240 0.000 1.135 264 I CB 1.574 39.773 38.000 0.331 0.000 1.288 264 I HN 0.611 nan 8.210 nan 0.000 0.448 265 D N 5.892 126.431 120.400 0.233 0.000 2.317 265 D HA 0.142 4.779 4.640 -0.004 0.000 0.252 265 D C 0.513 177.028 176.300 0.359 0.000 1.174 265 D CA -0.046 54.077 54.000 0.204 0.000 0.866 265 D CB 0.804 41.736 40.800 0.220 0.000 1.127 265 D HN 0.224 nan 8.370 nan 0.000 0.467 266 F N 1.527 121.477 119.950 -0.000 0.000 2.615 266 F HA 0.069 4.593 4.527 -0.004 0.000 0.297 266 F C 1.763 177.532 175.800 -0.051 0.000 1.124 266 F CA -0.136 57.821 58.000 -0.071 0.000 1.451 266 F CB -0.759 38.178 39.000 -0.105 0.000 1.103 266 F HN 0.218 nan 8.300 nan 0.000 0.569 267 S N -2.131 113.670 115.700 0.169 0.000 2.590 267 S HA 0.441 4.908 4.470 -0.004 0.000 0.282 267 S C 0.071 174.704 174.600 0.055 0.000 1.136 267 S CA 0.070 58.271 58.200 0.002 0.000 1.030 267 S CB 0.288 63.349 63.200 -0.231 0.000 1.195 267 S HN 0.447 nan 8.310 nan 0.000 0.506 268 H N -0.383 118.723 119.070 0.061 0.000 1.452 268 H HA -0.285 4.269 4.556 -0.004 0.000 0.090 268 H C 1.374 176.738 175.328 0.059 0.000 0.836 268 H CA 1.433 57.514 56.048 0.056 0.000 1.901 268 H CB -1.598 28.197 29.762 0.054 0.000 2.257 268 H HN 0.639 nan 8.280 nan 0.000 0.961 269 A N 0.143 123.094 122.820 0.219 0.000 2.119 269 A HA -0.080 4.237 4.320 -0.004 0.000 0.217 269 A C 1.893 179.548 177.584 0.119 0.000 1.153 269 A CA 1.562 53.677 52.037 0.130 0.000 0.692 269 A CB -0.221 18.841 19.000 0.103 0.000 0.799 269 A HN 0.547 nan 8.150 nan 0.000 0.458 270 N N 0.091 118.882 118.700 0.152 0.000 2.457 270 N HA -0.063 4.674 4.740 -0.004 0.000 0.180 270 N C 1.436 177.025 175.510 0.132 0.000 1.050 270 N CA 1.341 54.504 53.050 0.187 0.000 0.906 270 N CB 0.062 38.688 38.487 0.233 0.000 0.968 270 N HN 0.601 nan 8.380 nan 0.000 0.445 271 S N -1.789 113.954 115.700 0.073 0.000 2.559 271 S HA 0.196 4.663 4.470 -0.004 0.000 0.226 271 S C 0.461 175.074 174.600 0.021 0.000 1.000 271 S CA -0.295 57.916 58.200 0.018 0.000 0.948 271 S CB 0.375 63.572 63.200 -0.004 0.000 0.870 271 S HN -0.011 nan 8.310 nan 0.000 0.497 272 S N 2.194 117.921 115.700 0.046 0.000 3.635 272 S HA -0.174 4.293 4.470 -0.004 0.000 0.328 272 S C 0.377 174.994 174.600 0.028 0.000 1.135 272 S CA 0.963 59.185 58.200 0.036 0.000 0.942 272 S CB -1.961 61.252 63.200 0.023 0.000 0.930 272 S HN 0.845 nan 8.310 nan 0.000 0.512 273 K N -1.644 118.775 120.400 0.031 0.000 3.341 273 K HA -0.198 4.120 4.320 -0.004 0.000 0.305 273 K C -0.605 176.014 176.600 0.031 0.000 1.270 273 K CA 1.188 57.492 56.287 0.029 0.000 0.897 273 K CB -0.851 31.674 32.500 0.041 0.000 1.264 273 K HN 0.513 nan 8.250 nan 0.000 0.468 274 Q N 0.288 120.089 119.800 0.001 0.000 2.425 274 Q HA 0.149 4.486 4.340 -0.004 0.000 0.254 274 Q C 0.826 176.778 176.000 -0.080 0.000 1.032 274 Q CA -0.291 55.479 55.803 -0.054 0.000 0.798 274 Q CB 0.534 29.221 28.738 -0.085 0.000 1.210 274 Q HN 0.299 nan 8.270 nan 0.000 0.491 275 F N 1.906 121.835 119.950 -0.036 0.000 2.120 275 F HA -0.210 4.314 4.527 -0.004 0.000 0.300 275 F C 1.343 177.126 175.800 -0.029 0.000 1.095 275 F CA 1.205 59.183 58.000 -0.038 0.000 1.249 275 F CB -0.184 38.796 39.000 -0.034 0.000 0.995 275 F HN 0.176 nan 8.300 nan 0.000 0.480 276 K N 0.985 120.886 120.400 -0.832 0.000 2.209 276 K HA -0.089 4.228 4.320 -0.004 0.000 0.204 276 K C 1.773 178.242 176.600 -0.218 0.000 1.048 276 K CA 0.871 56.874 56.287 -0.474 0.000 0.940 276 K CB -0.419 31.725 32.500 -0.594 0.000 0.729 276 K HN 0.363 nan 8.250 nan 0.000 0.451 277 K N 1.115 121.395 120.400 -0.201 0.000 2.362 277 K HA -0.093 4.225 4.320 -0.004 0.000 0.200 277 K C 1.860 178.382 176.600 -0.131 0.000 1.046 277 K CA 0.743 56.946 56.287 -0.140 0.000 0.952 277 K CB -0.019 32.416 32.500 -0.108 0.000 0.753 277 K HN 0.369 nan 8.250 nan 0.000 0.466 278 Q N -0.166 119.592 119.800 -0.069 0.000 2.226 278 Q HA -0.045 4.293 4.340 -0.004 0.000 0.204 278 Q C 1.793 177.748 176.000 -0.074 0.000 0.975 278 Q CA 0.894 56.684 55.803 -0.021 0.000 0.866 278 Q CB -0.075 28.729 28.738 0.109 0.000 0.915 278 Q HN 0.227 nan 8.270 nan 0.000 0.440 279 M N 0.411 119.967 119.600 -0.073 0.000 2.254 279 M HA -0.099 4.379 4.480 -0.004 0.000 0.265 279 M C 1.193 177.398 176.300 -0.158 0.000 1.066 279 M CA 1.169 56.419 55.300 -0.082 0.000 1.123 279 M CB -0.573 31.993 32.600 -0.056 0.000 1.388 279 M HN 0.118 nan 8.290 nan 0.000 0.425 280 D N 0.215 120.504 120.400 -0.184 0.000 2.123 280 D HA -0.058 4.580 4.640 -0.004 0.000 0.200 280 D C 2.282 178.374 176.300 -0.346 0.000 0.976 280 D CA 0.976 54.858 54.000 -0.196 0.000 0.831 280 D CB -0.115 40.601 40.800 -0.140 0.000 0.974 280 D HN 0.153 nan 8.370 nan 0.000 0.469 281 V N 1.118 120.700 119.914 -0.553 0.000 2.343 281 V HA -0.263 3.855 4.120 -0.004 0.000 0.247 281 V C 2.781 178.242 176.094 -1.054 0.000 1.051 281 V CA 1.362 63.033 62.300 -1.048 0.000 1.036 281 V CB -0.611 30.500 31.823 -1.187 0.000 0.654 281 V HN 0.341 nan 8.190 nan 0.000 0.451 282 C N 0.485 119.241 119.300 -0.907 0.000 2.413 282 C HA -0.184 4.274 4.460 -0.004 0.000 0.276 282 C C 3.115 177.922 174.990 -0.305 0.000 1.236 282 C CA 1.063 59.719 59.018 -0.602 0.000 1.735 282 C CB -1.275 26.405 27.740 -0.099 0.000 2.031 282 C HN 0.595 nan 8.230 nan 0.000 0.474 283 A N -0.136 122.545 122.820 -0.232 0.000 1.883 283 A HA -0.253 4.064 4.320 -0.004 0.000 0.217 283 A C 2.147 179.662 177.584 -0.116 0.000 1.186 283 A CA 2.301 54.259 52.037 -0.132 0.000 0.624 283 A CB -1.038 17.899 19.000 -0.105 0.000 0.822 283 A HN 0.778 nan 8.150 nan 0.000 0.444 284 D N -0.211 120.097 120.400 -0.152 0.000 2.097 284 D HA -0.121 4.516 4.640 -0.004 0.000 0.195 284 D C 2.004 178.279 176.300 -0.043 0.000 0.989 284 D CA 1.832 55.801 54.000 -0.051 0.000 0.827 284 D CB -0.080 40.761 40.800 0.067 0.000 0.966 284 D HN 0.195 nan 8.370 nan 0.000 0.456 285 V N 0.690 120.519 119.914 -0.142 0.000 2.407 285 V HA -0.262 3.855 4.120 -0.004 0.000 0.248 285 V C 2.937 179.034 176.094 0.005 0.000 1.055 285 V CA 1.351 63.623 62.300 -0.048 0.000 1.049 285 V CB -0.571 31.205 31.823 -0.080 0.000 0.662 285 V HN 0.392 nan 8.190 nan 0.000 0.455 286 C N -0.699 118.589 119.300 -0.020 0.000 2.425 286 C HA -0.187 4.271 4.460 -0.004 0.000 0.277 286 C C 2.839 177.832 174.990 0.004 0.000 1.280 286 C CA 1.474 60.495 59.018 0.006 0.000 1.744 286 C CB -0.898 26.839 27.740 -0.006 0.000 1.989 286 C HN 0.665 nan 8.230 nan 0.000 0.491 287 Q N 0.352 120.150 119.800 -0.004 0.000 2.084 287 Q HA -0.240 4.097 4.340 -0.004 0.000 0.202 287 Q C 2.253 178.262 176.000 0.014 0.000 0.978 287 Q CA 1.663 57.468 55.803 0.003 0.000 0.844 287 Q CB -0.134 28.605 28.738 0.002 0.000 0.898 287 Q HN 0.699 nan 8.270 nan 0.000 0.426 288 Q N 0.049 119.863 119.800 0.024 0.000 2.050 288 Q HA -0.157 4.180 4.340 -0.004 0.000 0.202 288 Q C 2.194 178.212 176.000 0.030 0.000 0.980 288 Q CA 1.587 57.410 55.803 0.033 0.000 0.840 288 Q CB -0.098 28.671 28.738 0.052 0.000 0.898 288 Q HN 0.474 nan 8.270 nan 0.000 0.424 289 I N 0.689 121.278 120.570 0.032 0.000 2.142 289 I HA -0.265 3.902 4.170 -0.004 0.000 0.240 289 I C 2.450 178.577 176.117 0.017 0.000 1.078 289 I CA 0.999 62.315 61.300 0.027 0.000 1.343 289 I CB -0.460 37.559 38.000 0.031 0.000 1.046 289 I HN 0.158 nan 8.210 nan 0.000 0.405 290 A N 0.825 123.653 122.820 0.013 0.000 1.978 290 A HA -0.128 4.189 4.320 -0.004 0.000 0.220 290 A C 2.301 179.890 177.584 0.008 0.000 1.170 290 A CA 1.808 53.849 52.037 0.008 0.000 0.636 290 A CB -1.277 17.725 19.000 0.004 0.000 0.810 290 A HN 0.502 nan 8.150 nan 0.000 0.448 291 G N -2.069 106.737 108.800 0.010 0.000 2.848 291 G HA2 0.339 4.296 3.960 -0.004 0.000 0.208 291 G HA3 0.339 4.296 3.960 -0.004 0.000 0.208 291 G C 1.068 175.974 174.900 0.010 0.000 1.152 291 G CA 0.628 45.733 45.100 0.010 0.000 0.789 291 G HN 1.669 nan 8.290 nan 0.000 0.531 292 G N -0.373 108.434 108.800 0.011 0.000 2.175 292 G HA2 -0.197 3.760 3.960 -0.004 0.000 0.182 292 G HA3 -0.197 3.760 3.960 -0.004 0.000 0.182 292 G C 0.052 174.961 174.900 0.014 0.000 1.003 292 G CA 0.138 45.245 45.100 0.011 0.000 0.666 292 G HN 0.517 nan 8.290 nan 0.000 0.506 293 E N 1.404 121.616 120.200 0.019 0.000 2.081 293 E HA 0.448 4.796 4.350 -0.004 0.000 0.270 293 E C 1.400 178.014 176.600 0.022 0.000 1.180 293 E CA -0.020 56.394 56.400 0.024 0.000 0.926 293 E CB 0.163 29.883 29.700 0.034 0.000 1.035 293 E HN 0.445 nan 8.360 nan 0.000 0.418 294 K N 3.118 123.529 120.400 0.018 0.000 2.459 294 K HA 0.079 4.397 4.320 -0.004 0.000 0.193 294 K C 1.445 178.054 176.600 0.016 0.000 1.030 294 K CA 0.609 56.904 56.287 0.014 0.000 1.026 294 K CB 0.349 32.854 32.500 0.010 0.000 0.809 294 K HN 0.467 nan 8.250 nan 0.000 0.504 295 A N 1.665 124.500 122.820 0.025 0.000 1.969 295 A HA -0.030 4.287 4.320 -0.004 0.000 0.218 295 A C 1.178 178.781 177.584 0.032 0.000 1.169 295 A CA 0.563 52.619 52.037 0.032 0.000 0.635 295 A CB -0.342 18.684 19.000 0.043 0.000 0.810 295 A HN 0.179 nan 8.150 nan 0.000 0.445 296 I N 1.734 122.325 120.570 0.036 0.000 2.460 296 I HA -0.017 4.150 4.170 -0.004 0.000 0.297 296 I C 0.771 176.889 176.117 0.003 0.000 1.139 296 I CA -0.163 61.159 61.300 0.037 0.000 1.340 296 I CB 0.501 38.537 38.000 0.060 0.000 1.444 296 I HN 0.428 nan 8.210 nan 0.000 0.557 297 I N 2.328 122.880 120.570 -0.029 0.000 3.883 297 I HA 0.523 4.690 4.170 -0.004 0.000 0.326 297 I C 0.822 176.869 176.117 -0.116 0.000 1.283 297 I CA -0.127 61.131 61.300 -0.071 0.000 1.161 297 I CB -0.252 37.693 38.000 -0.092 0.000 1.012 297 I HN 0.429 nan 8.210 nan 0.000 0.421 298 G N 0.061 108.797 108.800 -0.106 0.000 2.466 298 G HA2 0.604 4.562 3.960 -0.004 0.000 0.291 298 G HA3 0.604 4.562 3.960 -0.004 0.000 0.291 298 G C -1.503 173.325 174.900 -0.120 0.000 1.460 298 G CA -0.081 44.927 45.100 -0.153 0.000 0.791 298 G HN 0.574 nan 8.290 nan 0.000 0.505 299 V N -2.306 117.480 119.914 -0.214 0.000 3.159 299 V HA 0.934 5.051 4.120 -0.004 0.000 0.308 299 V C -0.564 175.289 176.094 -0.403 0.000 1.190 299 V CA -1.131 60.977 62.300 -0.320 0.000 1.037 299 V CB 2.021 33.509 31.823 -0.558 0.000 1.060 299 V HN 1.210 nan 8.190 nan 0.000 0.437 300 M N 2.688 122.022 119.600 -0.444 0.000 2.393 300 M HA 0.854 5.331 4.480 -0.004 0.000 0.299 300 M C -2.184 173.890 176.300 -0.377 0.000 1.103 300 M CA -0.504 54.609 55.300 -0.312 0.000 0.910 300 M CB 2.088 34.630 32.600 -0.096 0.000 1.659 300 M HN 0.715 nan 8.290 nan 0.000 0.445 301 V N 3.554 123.296 119.914 -0.286 0.000 2.760 301 V HA 0.409 4.527 4.120 -0.004 0.000 0.309 301 V C -0.945 175.069 176.094 -0.134 0.000 1.077 301 V CA -0.781 61.395 62.300 -0.207 0.000 0.910 301 V CB 2.240 33.930 31.823 -0.223 0.000 1.008 301 V HN 0.831 nan 8.190 nan 0.000 0.424 302 E N 2.428 122.567 120.200 -0.102 0.000 2.081 302 E HA 0.531 4.879 4.350 -0.004 0.000 0.281 302 E C -0.488 176.073 176.600 -0.066 0.000 0.986 302 E CA -0.046 56.279 56.400 -0.126 0.000 0.796 302 E CB 1.651 31.256 29.700 -0.159 0.000 1.085 302 E HN 0.635 nan 8.360 nan 0.000 0.398 303 S N 3.422 119.076 115.700 -0.076 0.000 2.549 303 S HA 0.459 4.927 4.470 -0.004 0.000 0.280 303 S C -1.261 173.327 174.600 -0.020 0.000 1.109 303 S CA -0.658 57.564 58.200 0.037 0.000 0.905 303 S CB 1.557 64.851 63.200 0.156 0.000 1.081 303 S HN 0.536 nan 8.310 nan 0.000 0.477 304 H N 2.108 121.231 119.070 0.089 0.000 2.943 304 H HA 0.501 5.055 4.556 -0.005 0.000 0.323 304 H C 0.785 176.302 175.328 0.315 0.000 1.296 304 H CA -0.559 55.527 56.048 0.065 0.000 1.155 304 H CB 1.215 30.928 29.762 -0.082 0.000 1.882 304 H HN 0.612 nan 8.280 nan 0.000 0.553 305 L N 0.259 121.867 121.223 0.641 0.000 2.046 305 L HA -0.036 4.301 4.340 -0.004 0.000 0.208 305 L C 0.431 177.434 176.870 0.223 0.000 1.077 305 L CA 1.125 56.185 54.840 0.366 0.000 0.747 305 L CB -0.077 42.096 42.059 0.188 0.000 0.896 305 L HN 0.061 nan 8.230 nan 0.000 0.432 306 V N -0.245 119.712 119.914 0.072 0.000 2.555 306 V HA 0.162 4.280 4.120 -0.004 0.000 0.302 306 V C -0.029 176.020 176.094 -0.077 0.000 1.038 306 V CA -1.063 61.238 62.300 0.001 0.000 0.887 306 V CB 1.775 33.563 31.823 -0.057 0.000 0.991 306 V HN 0.268 nan 8.190 nan 0.000 0.434 307 E N 3.173 123.310 120.200 -0.106 0.000 2.392 307 E HA 0.580 4.927 4.350 -0.004 0.000 0.256 307 E C 0.560 176.853 176.600 -0.511 0.000 1.145 307 E CA 0.301 56.501 56.400 -0.333 0.000 0.929 307 E CB 0.769 30.312 29.700 -0.261 0.000 0.998 307 E HN 1.275 nan 8.360 nan 0.000 0.442 308 G N 1.263 109.453 108.800 -1.016 0.000 2.568 308 G HA2 -0.154 3.804 3.960 -0.004 0.000 0.222 308 G HA3 -0.154 3.804 3.960 -0.004 0.000 0.222 308 G C -0.826 173.852 174.900 -0.370 0.000 1.321 308 G CA -0.100 44.573 45.100 -0.713 0.000 0.893 308 G HN 1.301 nan 8.290 nan 0.000 0.569 309 N N -0.600 117.973 118.700 -0.212 0.000 3.116 309 N HA 0.586 5.324 4.740 -0.004 0.000 0.244 309 N C -0.775 174.658 175.510 -0.128 0.000 1.485 309 N CA 0.073 53.025 53.050 -0.163 0.000 0.884 309 N CB 1.025 39.441 38.487 -0.117 0.000 1.415 309 N HN 1.515 nan 8.380 nan 0.000 0.524 310 Q N -1.323 118.392 119.800 -0.142 0.000 2.501 310 Q HA 0.670 5.007 4.340 -0.004 0.000 0.288 310 Q C -1.455 174.466 176.000 -0.133 0.000 1.051 310 Q CA -0.960 54.769 55.803 -0.124 0.000 0.788 310 Q CB 1.806 30.464 28.738 -0.133 0.000 1.469 310 Q HN 0.549 nan 8.270 nan 0.000 0.416 311 S N 0.136 115.772 115.700 -0.107 0.000 2.565 311 S HA 0.420 4.888 4.470 -0.004 0.000 0.290 311 S C 0.489 175.012 174.600 -0.128 0.000 1.150 311 S CA -0.738 57.399 58.200 -0.105 0.000 1.058 311 S CB 0.782 63.944 63.200 -0.063 0.000 1.032 311 S HN 0.693 nan 8.310 nan 0.000 0.510 312 L N 2.664 123.798 121.223 -0.149 0.000 2.209 312 L HA 0.149 4.486 4.340 -0.004 0.000 0.207 312 L C 2.269 179.077 176.870 -0.104 0.000 1.094 312 L CA 0.742 55.483 54.840 -0.166 0.000 0.790 312 L CB -0.299 41.620 42.059 -0.234 0.000 0.932 312 L HN 0.658 nan 8.230 nan 0.000 0.447 313 E N 0.141 120.297 120.200 -0.073 0.000 2.409 313 E HA -0.159 4.189 4.350 -0.004 0.000 0.198 313 E C 2.122 178.698 176.600 -0.040 0.000 1.024 313 E CA 1.038 57.412 56.400 -0.044 0.000 0.861 313 E CB 0.030 29.716 29.700 -0.024 0.000 0.788 313 E HN 0.480 nan 8.360 nan 0.000 0.521 314 S N -1.612 114.059 115.700 -0.049 0.000 2.351 314 S HA -0.029 4.439 4.470 -0.004 0.000 0.220 314 S C 1.866 176.445 174.600 -0.036 0.000 1.035 314 S CA 1.450 59.626 58.200 -0.040 0.000 1.031 314 S CB -0.554 62.618 63.200 -0.047 0.000 0.928 314 S HN 0.468 nan 8.310 nan 0.000 0.433 315 G N 2.189 110.962 108.800 -0.044 0.000 2.981 315 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.199 315 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.199 315 G C -0.094 174.785 174.900 -0.035 0.000 1.586 315 G CA 0.014 45.092 45.100 -0.037 0.000 1.162 315 G HN 0.878 nan 8.290 nan 0.000 0.538 316 E N 2.889 123.071 120.200 -0.031 0.000 2.458 316 E HA 0.283 4.630 4.350 -0.004 0.000 0.264 316 E C -2.291 174.291 176.600 -0.030 0.000 1.097 316 E CA -0.631 55.753 56.400 -0.026 0.000 0.973 316 E CB -0.569 29.117 29.700 -0.023 0.000 0.963 316 E HN 0.297 nan 8.360 nan 0.000 0.451 317 P HA -0.042 nan 4.420 nan 0.000 0.266 317 P C -0.434 176.854 177.300 -0.020 0.000 1.180 317 P CA 0.352 63.442 63.100 -0.018 0.000 0.765 317 P CB 0.301 31.996 31.700 -0.009 0.000 0.806 318 L N 1.328 122.542 121.223 -0.015 0.000 2.371 318 L HA 0.423 4.760 4.340 -0.004 0.000 0.272 318 L C 0.876 177.753 176.870 0.012 0.000 1.124 318 L CA -0.881 53.947 54.840 -0.019 0.000 0.816 318 L CB 0.591 42.643 42.059 -0.012 0.000 1.129 318 L HN 0.402 nan 8.230 nan 0.000 0.448 319 A N 2.662 125.478 122.820 -0.007 0.000 2.407 319 A HA 0.165 4.482 4.320 -0.004 0.000 0.248 319 A C -0.706 176.906 177.584 0.046 0.000 1.082 319 A CA -0.161 51.886 52.037 0.017 0.000 0.785 319 A CB 0.081 19.069 19.000 -0.020 0.000 1.020 319 A HN 0.575 nan 8.150 nan 0.000 0.489 320 Y N 1.501 121.776 120.300 -0.042 0.000 2.480 320 Y HA 0.365 4.912 4.550 -0.005 0.000 0.338 320 Y C 1.404 177.254 175.900 -0.083 0.000 1.220 320 Y CA 0.836 58.909 58.100 -0.045 0.000 1.430 320 Y CB 0.504 38.942 38.460 -0.036 0.000 1.311 320 Y HN 1.437 nan 8.280 nan 0.000 0.575 321 G N 4.129 112.379 108.800 -0.916 0.000 2.321 321 G HA2 -0.351 3.607 3.960 -0.004 0.000 0.287 321 G HA3 -0.351 3.607 3.960 -0.004 0.000 0.287 321 G C -0.065 174.343 174.900 -0.820 0.000 1.018 321 G CA 0.696 45.311 45.100 -0.809 0.000 0.855 321 G HN 0.700 nan 8.290 nan 0.000 0.507 322 K N 0.032 120.079 120.400 -0.589 0.000 2.345 322 K HA 0.566 4.884 4.320 -0.004 0.000 0.255 322 K C 0.498 176.866 176.600 -0.387 0.000 0.934 322 K CA -0.365 55.638 56.287 -0.474 0.000 0.801 322 K CB 1.327 33.679 32.500 -0.247 0.000 1.137 322 K HN 0.148 nan 8.250 nan 0.000 0.424 323 S N 3.409 118.926 115.700 -0.305 0.000 2.549 323 S HA 0.057 4.524 4.470 -0.004 0.000 0.286 323 S C 1.136 175.580 174.600 -0.260 0.000 1.314 323 S CA -0.414 57.699 58.200 -0.145 0.000 1.062 323 S CB 0.106 63.285 63.200 -0.036 0.000 0.865 323 S HN 0.597 nan 8.310 nan 0.000 0.498 324 I N 2.021 122.372 120.570 -0.365 0.000 3.956 324 I HA 0.225 4.392 4.170 -0.004 0.000 0.333 324 I C 0.874 176.888 176.117 -0.171 0.000 1.302 324 I CA -0.213 60.856 61.300 -0.385 0.000 1.122 324 I CB -0.390 37.195 38.000 -0.691 0.000 1.013 324 I HN 0.640 nan 8.210 nan 0.000 0.405 325 T N -2.272 112.247 114.554 -0.059 0.000 1.701 325 T HA 0.297 4.644 4.350 -0.004 0.000 0.180 325 T C 0.109 174.812 174.700 0.006 0.000 0.686 325 T CA -0.341 61.782 62.100 0.038 0.000 1.314 325 T CB -0.263 68.689 68.868 0.139 0.000 3.356 325 T HN -0.030 nan 8.240 nan 0.000 0.410 326 D N 2.019 122.428 120.400 0.015 0.000 2.372 326 D HA 0.531 5.169 4.640 -0.004 0.000 0.243 326 D C 0.112 176.381 176.300 -0.051 0.000 1.121 326 D CA 0.008 53.998 54.000 -0.017 0.000 0.898 326 D CB 0.924 41.693 40.800 -0.052 0.000 1.202 326 D HN 0.794 nan 8.370 nan 0.000 0.428 327 A N 1.546 124.342 122.820 -0.040 0.000 2.462 327 A HA 0.340 4.658 4.320 -0.004 0.000 0.243 327 A C 0.004 177.520 177.584 -0.112 0.000 1.076 327 A CA -0.231 51.745 52.037 -0.101 0.000 0.773 327 A CB 0.148 19.165 19.000 0.028 0.000 1.010 327 A HN 0.642 nan 8.150 nan 0.000 0.493 328 C N 1.396 120.546 119.300 -0.250 0.000 2.719 328 C HA 0.686 5.143 4.460 -0.004 0.000 0.327 328 C C 0.485 175.332 174.990 -0.238 0.000 1.238 328 C CA -0.642 58.290 59.018 -0.143 0.000 1.727 328 C CB 1.005 28.709 27.740 -0.061 0.000 2.256 328 C HN 0.856 nan 8.230 nan 0.000 0.489 329 I N 0.942 121.526 120.570 0.023 0.000 2.764 329 I HA 0.662 4.829 4.170 -0.004 0.000 0.294 329 I C 0.669 176.825 176.117 0.065 0.000 1.045 329 I CA 0.102 61.478 61.300 0.127 0.000 1.340 329 I CB 0.157 38.259 38.000 0.171 0.000 1.436 329 I HN 0.709 nan 8.210 nan 0.000 0.567 330 G N 2.441 111.292 108.800 0.086 0.000 2.588 330 G HA2 0.014 3.971 3.960 -0.004 0.000 0.278 330 G HA3 0.014 3.971 3.960 -0.004 0.000 0.278 330 G C 0.143 175.153 174.900 0.183 0.000 1.307 330 G CA -0.641 44.538 45.100 0.131 0.000 1.016 330 G HN 1.037 nan 8.290 nan 0.000 0.503 331 W N -0.509 120.834 121.300 0.071 0.000 2.388 331 W HA -0.051 4.608 4.660 -0.002 0.000 0.294 331 W C 1.947 178.482 176.519 0.026 0.000 1.212 331 W CA 1.398 58.771 57.345 0.047 0.000 1.271 331 W CB 0.184 29.659 29.460 0.025 0.000 1.126 331 W HN 0.799 nan 8.180 nan 0.000 0.535 332 E N 0.235 120.423 120.200 -0.020 0.000 2.051 332 E HA -0.228 4.119 4.350 -0.004 0.000 0.192 332 E C 1.664 178.163 176.600 -0.169 0.000 0.991 332 E CA 1.533 57.872 56.400 -0.103 0.000 0.799 332 E CB -0.156 29.553 29.700 0.015 0.000 0.748 332 E HN 0.103 nan 8.360 nan 0.000 0.449 333 D N -0.405 119.939 120.400 -0.093 0.000 2.178 333 D HA -0.097 4.540 4.640 -0.004 0.000 0.202 333 D C 1.847 178.053 176.300 -0.156 0.000 0.974 333 D CA 1.022 54.975 54.000 -0.078 0.000 0.841 333 D CB -0.232 40.574 40.800 0.009 0.000 0.953 333 D HN 0.137 nan 8.370 nan 0.000 0.478 334 T N 0.525 114.925 114.554 -0.257 0.000 2.746 334 T HA -0.180 4.167 4.350 -0.004 0.000 0.267 334 T C 1.565 175.963 174.700 -0.504 0.000 1.039 334 T CA 1.589 63.471 62.100 -0.363 0.000 1.142 334 T CB -0.282 68.302 68.868 -0.473 0.000 0.866 334 T HN 0.220 nan 8.240 nan 0.000 0.444 335 D N 0.886 120.874 120.400 -0.687 0.000 2.117 335 D HA -0.022 4.616 4.640 -0.004 0.000 0.198 335 D C 2.216 178.356 176.300 -0.266 0.000 0.982 335 D CA 1.099 54.783 54.000 -0.527 0.000 0.828 335 D CB -0.206 40.297 40.800 -0.495 0.000 0.967 335 D HN 0.336 nan 8.370 nan 0.000 0.464 336 A N 0.426 123.122 122.820 -0.207 0.000 1.873 336 A HA -0.090 4.227 4.320 -0.004 0.000 0.215 336 A C 2.317 179.845 177.584 -0.094 0.000 1.186 336 A CA 1.318 53.284 52.037 -0.119 0.000 0.616 336 A CB -1.093 17.855 19.000 -0.088 0.000 0.823 336 A HN 0.445 nan 8.150 nan 0.000 0.442 337 L N -0.344 120.822 121.223 -0.095 0.000 2.012 337 L HA -0.173 4.165 4.340 -0.004 0.000 0.210 337 L C 2.365 179.205 176.870 -0.050 0.000 1.073 337 L CA 1.665 56.479 54.840 -0.043 0.000 0.748 337 L CB -0.273 41.776 42.059 -0.016 0.000 0.891 337 L HN 0.424 nan 8.230 nan 0.000 0.431 338 L N -0.494 120.667 121.223 -0.103 0.000 2.083 338 L HA -0.228 4.109 4.340 -0.004 0.000 0.209 338 L C 2.840 179.669 176.870 -0.067 0.000 1.083 338 L CA 1.408 56.192 54.840 -0.094 0.000 0.752 338 L CB -0.545 41.436 42.059 -0.130 0.000 0.899 338 L HN 0.315 nan 8.230 nan 0.000 0.433 339 R N -0.091 120.365 120.500 -0.073 0.000 2.066 339 R HA -0.173 4.165 4.340 -0.004 0.000 0.232 339 R C 2.399 178.679 176.300 -0.034 0.000 1.131 339 R CA 1.460 57.529 56.100 -0.052 0.000 0.955 339 R CB -0.088 30.177 30.300 -0.058 0.000 0.851 339 R HN 0.394 nan 8.270 nan 0.000 0.432 340 Q N 0.168 119.950 119.800 -0.030 0.000 2.061 340 Q HA -0.205 4.133 4.340 -0.004 0.000 0.204 340 Q C 2.250 178.248 176.000 -0.003 0.000 0.984 340 Q CA 1.769 57.562 55.803 -0.016 0.000 0.846 340 Q CB -0.152 28.579 28.738 -0.012 0.000 0.902 340 Q HN 0.384 nan 8.270 nan 0.000 0.421 341 L N -0.006 121.220 121.223 0.005 0.000 2.017 341 L HA -0.204 4.134 4.340 -0.004 0.000 0.208 341 L C 2.551 179.419 176.870 -0.004 0.000 1.073 341 L CA 1.005 55.853 54.840 0.014 0.000 0.745 341 L CB -0.662 41.403 42.059 0.010 0.000 0.894 341 L HN 0.228 nan 8.230 nan 0.000 0.432 342 A N 0.267 123.077 122.820 -0.017 0.000 1.908 342 A HA -0.223 4.094 4.320 -0.004 0.000 0.218 342 A C 2.062 179.639 177.584 -0.012 0.000 1.181 342 A CA 2.001 54.028 52.037 -0.018 0.000 0.627 342 A CB -0.585 18.401 19.000 -0.023 0.000 0.818 342 A HN 0.452 nan 8.150 nan 0.000 0.445 343 N N 0.369 119.062 118.700 -0.012 0.000 2.188 343 N HA -0.079 4.658 4.740 -0.004 0.000 0.184 343 N C 1.870 177.377 175.510 -0.005 0.000 1.018 343 N CA 1.479 54.523 53.050 -0.009 0.000 0.858 343 N CB -0.575 37.906 38.487 -0.011 0.000 0.989 343 N HN 0.479 nan 8.380 nan 0.000 0.426 344 A N 0.769 123.588 122.820 -0.002 0.000 1.902 344 A HA -0.065 4.253 4.320 -0.004 0.000 0.217 344 A C 2.494 180.080 177.584 0.003 0.000 1.181 344 A CA 1.175 53.214 52.037 0.003 0.000 0.623 344 A CB -0.721 18.285 19.000 0.012 0.000 0.818 344 A HN 0.099 nan 8.150 nan 0.000 0.443 345 V N 0.187 120.101 119.914 0.001 0.000 2.343 345 V HA -0.273 3.844 4.120 -0.004 0.000 0.247 345 V C 2.446 178.538 176.094 -0.003 0.000 1.051 345 V CA 2.320 64.619 62.300 -0.002 0.000 1.036 345 V CB -0.658 31.160 31.823 -0.008 0.000 0.654 345 V HN 0.537 nan 8.190 nan 0.000 0.451 346 K N 0.200 120.597 120.400 -0.005 0.000 2.057 346 K HA -0.136 4.181 4.320 -0.004 0.000 0.207 346 K C 2.344 178.942 176.600 -0.003 0.000 1.049 346 K CA 1.478 57.762 56.287 -0.005 0.000 0.931 346 K CB -0.437 32.059 32.500 -0.006 0.000 0.714 346 K HN 0.470 nan 8.250 nan 0.000 0.440 347 A N 1.666 124.484 122.820 -0.002 0.000 1.908 347 A HA -0.215 4.102 4.320 -0.004 0.000 0.218 347 A C 2.118 179.702 177.584 0.001 0.000 1.181 347 A CA 1.634 53.670 52.037 -0.001 0.000 0.627 347 A CB -0.498 18.502 19.000 -0.000 0.000 0.818 347 A HN 0.254 nan 8.150 nan 0.000 0.445 348 R N -0.585 119.917 120.500 0.002 0.000 2.092 348 R HA -0.103 4.234 4.340 -0.004 0.000 0.231 348 R C 2.411 178.712 176.300 0.001 0.000 1.119 348 R CA 1.503 57.605 56.100 0.003 0.000 0.970 348 R CB -0.265 30.038 30.300 0.005 0.000 0.864 348 R HN 0.546 nan 8.270 nan 0.000 0.440 349 R N 0.020 120.520 120.500 -0.000 0.000 2.115 349 R HA -0.033 4.304 4.340 -0.004 0.000 0.230 349 R C 0.431 176.730 176.300 -0.001 0.000 1.111 349 R CA 1.050 57.150 56.100 -0.001 0.000 0.976 349 R CB -0.203 30.095 30.300 -0.003 0.000 0.870 349 R HN 0.409 nan 8.270 nan 0.000 0.445 350 G N 0.000 108.800 108.800 -0.001 0.000 5.446 350 G HA2 0.000 3.957 3.960 -0.004 0.000 0.244 350 G HA3 0.000 3.957 3.960 -0.004 0.000 0.244 350 G CA 0.000 45.100 45.100 -0.001 0.000 0.502 350 G HN 0.000 nan 8.290 nan 0.000 0.925