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 3gxo_1_D DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 11 G C 0.000 174.900 174.900 -0.000 0.000 0.946 11 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 12 T N 1.468 116.021 114.554 -0.000 0.000 2.652 12 T HA 0.015 4.366 4.350 0.001 0.000 0.267 12 T C 2.549 177.249 174.700 -0.000 0.000 1.039 12 T CA 3.016 65.117 62.100 0.000 0.000 1.153 12 T CB -0.532 68.337 68.868 0.001 0.000 0.863 12 T HN 0.797 nan 8.240 nan 0.000 0.428 13 A N 0.404 123.223 122.820 -0.000 0.000 2.016 13 A HA 0.483 4.803 4.320 0.001 0.000 0.217 13 A C 2.639 180.222 177.584 -0.002 0.000 1.162 13 A CA 1.556 53.593 52.037 -0.001 0.000 0.662 13 A CB -0.970 18.030 19.000 -0.001 0.000 0.812 13 A HN 0.688 nan 8.150 nan 0.000 0.450 14 A N -0.022 122.797 122.820 -0.002 0.000 1.929 14 A HA -0.093 4.228 4.320 0.001 0.000 0.216 14 A C 2.235 179.817 177.584 -0.003 0.000 1.176 14 A CA 1.446 53.481 52.037 -0.002 0.000 0.628 14 A CB -0.448 18.551 19.000 -0.002 0.000 0.816 14 A HN 0.525 nan 8.150 nan 0.000 0.444 15 R N -0.167 120.332 120.500 -0.002 0.000 2.066 15 R HA -0.078 4.263 4.340 0.001 0.000 0.232 15 R C 2.284 178.582 176.300 -0.003 0.000 1.131 15 R CA 1.434 57.533 56.100 -0.003 0.000 0.955 15 R CB -0.465 29.834 30.300 -0.002 0.000 0.851 15 R HN 0.389 nan 8.270 nan 0.000 0.432 16 A N 0.900 123.719 122.820 -0.003 0.000 1.917 16 A HA -0.182 4.138 4.320 0.001 0.000 0.219 16 A C 2.341 179.922 177.584 -0.005 0.000 1.182 16 A CA 2.014 54.049 52.037 -0.003 0.000 0.633 16 A CB -0.755 18.244 19.000 -0.002 0.000 0.819 16 A HN 0.578 nan 8.150 nan 0.000 0.448 17 A N -0.695 122.122 122.820 -0.005 0.000 1.970 17 A HA 0.328 4.649 4.320 0.001 0.000 0.216 17 A C 2.440 180.018 177.584 -0.010 0.000 1.170 17 A CA 1.609 53.642 52.037 -0.007 0.000 0.645 17 A CB -0.804 18.193 19.000 -0.006 0.000 0.816 17 A HN 0.996 nan 8.150 nan 0.000 0.447 18 A N 0.072 122.887 122.820 -0.008 0.000 1.898 18 A HA -0.162 4.159 4.320 0.001 0.000 0.216 18 A C 1.916 179.493 177.584 -0.013 0.000 1.181 18 A CA 1.575 53.606 52.037 -0.010 0.000 0.620 18 A CB -0.502 18.494 19.000 -0.007 0.000 0.819 18 A HN 0.595 nan 8.150 nan 0.000 0.442 19 E N -0.879 119.314 120.200 -0.011 0.000 2.110 19 E HA -0.230 4.120 4.350 0.001 0.000 0.193 19 E C 2.052 178.640 176.600 -0.020 0.000 0.988 19 E CA 1.392 57.783 56.400 -0.013 0.000 0.804 19 E CB -0.067 29.628 29.700 -0.008 0.000 0.745 19 E HN 0.734 nan 8.360 nan 0.000 0.458 20 E N 0.351 120.540 120.200 -0.019 0.000 2.072 20 E HA -0.115 4.236 4.350 0.001 0.000 0.190 20 E C 1.926 178.506 176.600 -0.033 0.000 0.982 20 E CA 1.600 57.985 56.400 -0.024 0.000 0.803 20 E CB -0.105 29.584 29.700 -0.017 0.000 0.755 20 E HN 0.040 nan 8.360 nan 0.000 0.453 21 T N 0.018 114.555 114.554 -0.028 0.000 2.635 21 T HA -0.167 4.184 4.350 0.001 0.000 0.267 21 T C 1.871 176.546 174.700 -0.042 0.000 1.040 21 T CA 1.705 63.786 62.100 -0.032 0.000 1.156 21 T CB -0.485 68.370 68.868 -0.022 0.000 0.863 21 T HN 0.029 nan 8.240 nan 0.000 0.430 22 V N 2.044 121.935 119.914 -0.038 0.000 2.407 22 V HA -0.159 3.961 4.120 0.001 0.000 0.248 22 V C 2.443 178.494 176.094 -0.071 0.000 1.055 22 V CA 1.749 64.022 62.300 -0.046 0.000 1.049 22 V CB -0.743 31.061 31.823 -0.032 0.000 0.662 22 V HN 0.442 nan 8.190 nan 0.000 0.455 23 N N 0.256 118.914 118.700 -0.070 0.000 2.188 23 N HA -0.162 4.578 4.740 0.001 0.000 0.184 23 N C 1.499 176.923 175.510 -0.144 0.000 1.018 23 N CA 1.279 54.270 53.050 -0.099 0.000 0.858 23 N CB -0.205 38.242 38.487 -0.066 0.000 0.989 23 N HN 0.413 nan 8.380 nan 0.000 0.426 24 D N 0.047 120.381 120.400 -0.110 0.000 2.149 24 D HA -0.107 4.534 4.640 0.001 0.000 0.198 24 D C 1.904 178.111 176.300 -0.156 0.000 0.990 24 D CA 0.773 54.699 54.000 -0.122 0.000 0.839 24 D CB -0.145 40.607 40.800 -0.080 0.000 0.948 24 D HN 0.408 nan 8.370 nan 0.000 0.460 25 I N 0.540 121.031 120.570 -0.132 0.000 2.252 25 I HA -0.221 3.949 4.170 0.001 0.000 0.245 25 I C 2.406 178.406 176.117 -0.196 0.000 1.102 25 I CA 0.607 61.830 61.300 -0.129 0.000 1.385 25 I CB -0.141 37.812 38.000 -0.078 0.000 1.064 25 I HN -0.018 nan 8.210 nan 0.000 0.414 26 L N -0.027 121.057 121.223 -0.232 0.000 2.046 26 L HA -0.235 4.105 4.340 0.001 0.000 0.208 26 L C 2.491 178.961 176.870 -0.666 0.000 1.077 26 L CA 1.491 56.130 54.840 -0.335 0.000 0.747 26 L CB -0.650 41.245 42.059 -0.272 0.000 0.896 26 L HN 0.330 nan 8.230 nan 0.000 0.432 27 Q N -0.269 119.125 119.800 -0.676 0.000 2.297 27 Q HA -0.076 4.264 4.340 0.001 0.000 0.204 27 Q C 2.267 177.946 176.000 -0.534 0.000 0.962 27 Q CA 0.883 56.144 55.803 -0.903 0.000 0.879 27 Q CB -0.200 28.228 28.738 -0.516 0.000 0.947 27 Q HN 0.590 nan 8.270 nan 0.000 0.462 28 G N 0.930 109.525 108.800 -0.342 0.000 2.462 28 G HA2 -0.273 3.688 3.960 0.001 0.000 0.220 28 G HA3 -0.273 3.688 3.960 0.001 0.000 0.220 28 G C 1.442 176.250 174.900 -0.153 0.000 1.121 28 G CA 0.840 45.817 45.100 -0.204 0.000 0.758 28 G HN 0.418 nan 8.290 nan 0.000 0.559 29 A N 0.446 123.155 122.820 -0.185 0.000 1.902 29 A HA -0.048 4.273 4.320 0.001 0.000 0.217 29 A C 2.176 179.927 177.584 0.279 0.000 1.181 29 A CA 1.659 53.737 52.037 0.069 0.000 0.623 29 A CB -0.553 18.531 19.000 0.140 0.000 0.818 29 A HN 0.487 nan 8.150 nan 0.000 0.443 30 W N 0.025 121.346 121.300 0.034 0.000 2.453 30 W HA 0.073 4.734 4.660 0.001 0.000 0.289 30 W C 2.104 178.570 176.519 -0.088 0.000 1.215 30 W CA 0.536 57.865 57.345 -0.026 0.000 1.297 30 W CB -0.965 28.484 29.460 -0.018 0.000 1.113 30 W HN 0.380 nan 8.180 nan 0.000 0.551 31 K N 0.791 121.251 120.400 0.099 0.000 2.032 31 K HA -0.180 4.140 4.320 0.001 0.000 0.209 31 K C 2.195 178.736 176.600 -0.098 0.000 1.048 31 K CA 2.132 58.414 56.287 -0.008 0.000 0.927 31 K CB -0.313 32.158 32.500 -0.050 0.000 0.712 31 K HN -0.027 nan 8.250 nan 0.000 0.441 32 A N 1.174 123.917 122.820 -0.128 0.000 1.877 32 A HA -0.195 4.125 4.320 0.001 0.000 0.216 32 A C 2.122 179.334 177.584 -0.620 0.000 1.186 32 A CA 1.810 53.664 52.037 -0.304 0.000 0.620 32 A CB -0.550 18.351 19.000 -0.165 0.000 0.822 32 A HN 0.303 nan 8.150 nan 0.000 0.443 33 R N -0.182 120.086 120.500 -0.387 0.000 2.148 33 R HA 0.020 4.360 4.340 0.001 0.000 0.227 33 R C 2.072 178.179 176.300 -0.322 0.000 1.103 33 R CA 1.475 57.288 56.100 -0.479 0.000 0.983 33 R CB -0.586 29.392 30.300 -0.538 0.000 0.874 33 R HN 0.448 nan 8.270 nan 0.000 0.451 34 A N -0.022 122.671 122.820 -0.211 0.000 1.969 34 A HA -0.057 4.263 4.320 0.001 0.000 0.218 34 A C 2.113 179.629 177.584 -0.115 0.000 1.169 34 A CA 1.176 53.138 52.037 -0.124 0.000 0.635 34 A CB -0.392 18.575 19.000 -0.056 0.000 0.810 34 A HN 0.337 nan 8.150 nan 0.000 0.445 35 I N -1.157 119.302 120.570 -0.185 0.000 2.286 35 I HA -0.233 3.938 4.170 0.001 0.000 0.245 35 I C 2.288 178.359 176.117 -0.076 0.000 1.104 35 I CA 1.306 62.522 61.300 -0.141 0.000 1.397 35 I CB -0.543 37.342 38.000 -0.192 0.000 1.072 35 I HN 0.475 nan 8.210 nan 0.000 0.417 36 H N -0.459 118.548 119.070 -0.104 0.000 2.390 36 H HA -0.174 4.382 4.556 0.001 0.000 0.298 36 H C 2.334 177.596 175.328 -0.110 0.000 1.106 36 H CA 1.350 57.322 56.048 -0.127 0.000 1.297 36 H CB -0.042 29.601 29.762 -0.197 0.000 1.375 36 H HN 0.136 nan 8.280 nan 0.000 0.509 37 V N 0.759 120.668 119.914 -0.008 0.000 2.323 37 V HA -0.221 3.900 4.120 0.001 0.000 0.244 37 V C 2.657 178.744 176.094 -0.011 0.000 1.041 37 V CA 1.514 63.792 62.300 -0.037 0.000 1.025 37 V CB -0.810 30.969 31.823 -0.075 0.000 0.656 37 V HN 0.555 nan 8.190 nan 0.000 0.451 38 A N -0.417 122.411 122.820 0.013 0.000 1.940 38 A HA -0.164 4.157 4.320 0.001 0.000 0.219 38 A C 2.376 180.005 177.584 0.075 0.000 1.176 38 A CA 2.087 54.165 52.037 0.068 0.000 0.631 38 A CB -0.605 18.511 19.000 0.193 0.000 0.814 38 A HN 0.337 nan 8.150 nan 0.000 0.446 39 V N -0.264 119.683 119.914 0.056 0.000 2.379 39 V HA -0.213 3.907 4.120 0.001 0.000 0.245 39 V C 2.508 178.621 176.094 0.033 0.000 1.044 39 V CA 2.159 64.489 62.300 0.050 0.000 1.036 39 V CB -0.497 31.355 31.823 0.047 0.000 0.664 39 V HN 0.805 nan 8.190 nan 0.000 0.453 40 E N 0.014 120.224 120.200 0.017 0.000 2.072 40 E HA -0.198 4.153 4.350 0.001 0.000 0.191 40 E C 2.198 178.799 176.600 0.002 0.000 0.985 40 E CA 1.252 57.653 56.400 0.002 0.000 0.801 40 E CB -0.091 29.597 29.700 -0.020 0.000 0.750 40 E HN 0.559 nan 8.360 nan 0.000 0.452 41 L N -0.790 120.431 121.223 -0.003 0.000 2.156 41 L HA 0.047 4.388 4.340 0.001 0.000 0.208 41 L C 1.622 178.491 176.870 -0.002 0.000 1.095 41 L CA 0.871 55.705 54.840 -0.010 0.000 0.770 41 L CB -0.003 42.040 42.059 -0.027 0.000 0.914 41 L HN 0.518 nan 8.230 nan 0.000 0.439 42 G N -1.446 107.362 108.800 0.014 0.000 2.138 42 G HA2 -0.218 3.743 3.960 0.001 0.000 0.193 42 G HA3 -0.218 3.743 3.960 0.001 0.000 0.193 42 G C 0.621 175.538 174.900 0.028 0.000 0.998 42 G CA 0.119 45.234 45.100 0.024 0.000 0.668 42 G HN 0.029 nan 8.290 nan 0.000 0.516 43 V N 0.957 120.888 119.914 0.029 0.000 2.287 43 V HA -0.155 3.965 4.120 0.001 0.000 0.248 43 V C 0.857 176.999 176.094 0.081 0.000 1.053 43 V CA 2.785 65.085 62.300 -0.001 0.000 1.027 43 V CB -1.053 30.720 31.823 -0.083 0.000 0.646 43 V HN 0.404 nan 8.190 nan 0.000 0.447 44 P HA -0.184 nan 4.420 nan 0.000 0.216 44 P C 1.587 178.972 177.300 0.141 0.000 1.150 44 P CA 1.580 64.846 63.100 0.277 0.000 0.837 44 P CB -0.172 31.644 31.700 0.193 0.000 0.786 45 E N 0.213 120.465 120.200 0.087 0.000 2.427 45 E HA -0.089 4.262 4.350 0.001 0.000 0.196 45 E C 1.319 177.945 176.600 0.043 0.000 1.028 45 E CA 0.697 57.131 56.400 0.057 0.000 0.864 45 E CB -0.876 28.849 29.700 0.042 0.000 0.813 45 E HN 0.306 nan 8.360 nan 0.000 0.514 46 L N 0.841 122.086 121.223 0.036 0.000 2.645 46 L HA 0.208 4.548 4.340 0.001 0.000 0.234 46 L C 1.616 178.496 176.870 0.016 0.000 1.165 46 L CA 0.061 54.910 54.840 0.014 0.000 0.944 46 L CB 0.057 42.109 42.059 -0.012 0.000 1.149 46 L HN 0.112 nan 8.230 nan 0.000 0.446 47 L N -1.985 119.267 121.223 0.048 0.000 3.174 47 L HA 0.100 4.441 4.340 0.001 0.000 0.283 47 L C 1.904 178.815 176.870 0.069 0.000 1.187 47 L CA 0.111 54.987 54.840 0.061 0.000 1.018 47 L CB 0.495 42.617 42.059 0.105 0.000 1.433 47 L HN 0.185 nan 8.230 nan 0.000 0.593 48 Q N 0.596 120.433 119.800 0.061 0.000 2.152 48 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 48 Q C 1.117 177.140 176.000 0.039 0.000 0.985 48 Q CA 1.494 57.327 55.803 0.050 0.000 0.863 48 Q CB 0.150 28.912 28.738 0.040 0.000 0.904 48 Q HN 0.351 nan 8.270 nan 0.000 0.422 49 E N -0.312 119.908 120.200 0.033 0.000 2.511 49 E HA 0.120 4.470 4.350 0.001 0.000 0.196 49 E C 0.673 177.289 176.600 0.026 0.000 1.066 49 E CA 0.712 57.128 56.400 0.026 0.000 0.871 49 E CB 0.461 30.173 29.700 0.020 0.000 0.863 49 E HN 0.361 nan 8.360 nan 0.000 0.520 50 G N 1.476 110.296 108.800 0.033 0.000 2.381 50 G HA2 -0.087 3.874 3.960 0.001 0.000 0.672 50 G HA3 -0.087 3.874 3.960 0.001 0.000 0.672 50 G C -2.971 171.948 174.900 0.032 0.000 1.324 50 G CA -1.247 43.873 45.100 0.032 0.000 0.975 50 G HN -0.128 nan 8.290 nan 0.000 0.593 51 P HA 0.344 nan 4.420 nan 0.000 0.265 51 P C -0.246 177.062 177.300 0.013 0.000 1.193 51 P CA 0.192 63.304 63.100 0.019 0.000 0.765 51 P CB 0.433 32.132 31.700 -0.002 0.000 0.823 52 R N 0.816 121.327 120.500 0.018 0.000 2.837 52 R HA 0.508 4.849 4.340 0.001 0.000 0.271 52 R C 0.178 176.501 176.300 0.039 0.000 0.993 52 R CA -0.666 55.442 56.100 0.014 0.000 0.931 52 R CB 1.050 31.352 30.300 0.003 0.000 1.206 52 R HN 0.441 nan 8.270 nan 0.000 0.474 53 T N -2.062 112.510 114.554 0.029 0.000 2.788 53 T HA 0.302 4.652 4.350 0.001 0.000 0.287 53 T C 1.370 176.118 174.700 0.080 0.000 1.007 53 T CA 0.050 62.186 62.100 0.060 0.000 1.005 53 T CB 1.105 69.986 68.868 0.022 0.000 1.012 53 T HN 0.554 nan 8.240 nan 0.000 0.530 54 A N 1.122 124.022 122.820 0.134 0.000 1.930 54 A HA 0.051 4.371 4.320 0.001 0.000 0.217 54 A C 2.499 180.056 177.584 -0.045 0.000 1.175 54 A CA 1.777 53.819 52.037 0.009 0.000 0.627 54 A CB -1.627 17.395 19.000 0.037 0.000 0.815 54 A HN 0.924 nan 8.150 nan 0.000 0.443 55 T N 0.444 114.986 114.554 -0.020 0.000 2.684 55 T HA -0.087 4.263 4.350 0.001 0.000 0.267 55 T C 2.253 176.927 174.700 -0.044 0.000 1.036 55 T CA 1.777 63.852 62.100 -0.042 0.000 1.148 55 T CB -0.485 68.365 68.868 -0.029 0.000 0.863 55 T HN 0.598 nan 8.240 nan 0.000 0.436 56 A N 1.228 124.030 122.820 -0.029 0.000 1.877 56 A HA -0.019 4.302 4.320 0.001 0.000 0.216 56 A C 2.331 179.889 177.584 -0.044 0.000 1.186 56 A CA 1.314 53.334 52.037 -0.029 0.000 0.620 56 A CB -0.931 18.059 19.000 -0.017 0.000 0.822 56 A HN 0.485 nan 8.150 nan 0.000 0.443 57 L N -0.846 120.341 121.223 -0.061 0.000 2.079 57 L HA -0.227 4.114 4.340 0.001 0.000 0.210 57 L C 3.094 179.910 176.870 -0.090 0.000 1.081 57 L CA 1.107 55.894 54.840 -0.090 0.000 0.752 57 L CB -0.592 41.377 42.059 -0.149 0.000 0.896 57 L HN 0.464 nan 8.230 nan 0.000 0.433 58 A N -0.546 122.218 122.820 -0.093 0.000 1.898 58 A HA -0.221 4.100 4.320 0.001 0.000 0.216 58 A C 2.345 179.892 177.584 -0.062 0.000 1.181 58 A CA 1.598 53.583 52.037 -0.088 0.000 0.620 58 A CB -0.464 18.473 19.000 -0.105 0.000 0.819 58 A HN 0.392 nan 8.150 nan 0.000 0.442 59 E N 0.386 120.554 120.200 -0.054 0.000 2.072 59 E HA -0.142 4.209 4.350 0.001 0.000 0.191 59 E C 2.169 178.751 176.600 -0.031 0.000 0.985 59 E CA 1.220 57.597 56.400 -0.039 0.000 0.801 59 E CB -0.287 29.392 29.700 -0.033 0.000 0.750 59 E HN 0.457 nan 8.360 nan 0.000 0.452 60 A N 0.404 123.204 122.820 -0.033 0.000 1.972 60 A HA -0.151 4.169 4.320 0.001 0.000 0.219 60 A C 2.284 179.854 177.584 -0.025 0.000 1.169 60 A CA 2.419 54.440 52.037 -0.026 0.000 0.635 60 A CB -0.659 18.324 19.000 -0.028 0.000 0.810 60 A HN 0.466 nan 8.150 nan 0.000 0.446 61 T N -5.781 108.753 114.554 -0.034 0.000 3.014 61 T HA 0.433 4.783 4.350 0.001 0.000 0.250 61 T C 1.421 176.108 174.700 -0.023 0.000 1.060 61 T CA 1.071 63.153 62.100 -0.030 0.000 1.040 61 T CB 0.443 69.285 68.868 -0.043 0.000 0.971 61 T HN 1.656 nan 8.240 nan 0.000 0.497 62 G N 1.467 110.254 108.800 -0.022 0.000 2.175 62 G HA2 -0.013 3.948 3.960 0.001 0.000 0.244 62 G HA3 -0.013 3.948 3.960 0.001 0.000 0.244 62 G C 0.330 175.225 174.900 -0.009 0.000 0.982 62 G CA -0.111 44.982 45.100 -0.013 0.000 0.641 62 G HN 1.135 nan 8.290 nan 0.000 0.527 63 A N 0.613 123.420 122.820 -0.022 0.000 2.445 63 A HA 0.514 4.835 4.320 0.001 0.000 0.242 63 A C 0.616 178.205 177.584 0.010 0.000 1.075 63 A CA 0.277 52.306 52.037 -0.013 0.000 0.777 63 A CB 0.085 19.056 19.000 -0.048 0.000 1.013 63 A HN 0.911 nan 8.150 nan 0.000 0.493 64 H N 1.387 120.425 119.070 -0.054 0.000 2.848 64 H HA 0.036 4.592 4.556 0.001 0.000 0.317 64 H C 0.975 176.270 175.328 -0.054 0.000 1.046 64 H CA 0.774 56.794 56.048 -0.048 0.000 1.470 64 H CB 0.681 30.416 29.762 -0.046 0.000 1.483 64 H HN 0.977 nan 8.280 nan 0.000 0.548 65 E N 3.529 123.434 120.200 -0.491 0.000 2.058 65 E HA -0.253 4.098 4.350 0.001 0.000 0.194 65 E C 1.875 178.299 176.600 -0.292 0.000 0.997 65 E CA 1.102 57.308 56.400 -0.323 0.000 0.801 65 E CB 0.085 29.632 29.700 -0.255 0.000 0.746 65 E HN 0.835 nan 8.360 nan 0.000 0.450 66 Q N -0.351 119.186 119.800 -0.439 0.000 2.124 66 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 66 Q C 1.858 177.853 176.000 -0.009 0.000 0.977 66 Q CA 2.009 57.727 55.803 -0.142 0.000 0.850 66 Q CB 0.042 28.771 28.738 -0.016 0.000 0.901 66 Q HN 0.275 nan 8.270 nan 0.000 0.429 67 T N 1.225 115.852 114.554 0.122 0.000 2.896 67 T HA -0.083 4.267 4.350 0.001 0.000 0.263 67 T C 1.673 176.367 174.700 -0.010 0.000 1.050 67 T CA 0.685 62.853 62.100 0.113 0.000 1.140 67 T CB -0.121 68.863 68.868 0.194 0.000 0.877 67 T HN 0.178 nan 8.240 nan 0.000 0.457 68 L N 1.790 122.981 121.223 -0.053 0.000 2.083 68 L HA 0.063 4.404 4.340 0.001 0.000 0.209 68 L C 2.493 179.246 176.870 -0.196 0.000 1.083 68 L CA 1.665 56.428 54.840 -0.129 0.000 0.752 68 L CB -0.570 41.400 42.059 -0.149 0.000 0.899 68 L HN 0.084 nan 8.230 nan 0.000 0.433 69 R N -0.584 119.823 120.500 -0.154 0.000 2.083 69 R HA -0.192 4.148 4.340 0.001 0.000 0.237 69 R C 2.394 178.639 176.300 -0.092 0.000 1.137 69 R CA 1.743 57.761 56.100 -0.138 0.000 0.951 69 R CB -0.222 30.061 30.300 -0.028 0.000 0.851 69 R HN 0.310 nan 8.270 nan 0.000 0.434 70 R N 0.266 120.737 120.500 -0.048 0.000 2.096 70 R HA -0.181 4.159 4.340 0.001 0.000 0.240 70 R C 2.412 178.683 176.300 -0.048 0.000 1.139 70 R CA 1.736 57.821 56.100 -0.024 0.000 0.952 70 R CB -0.664 29.628 30.300 -0.013 0.000 0.854 70 R HN 0.218 nan 8.270 nan 0.000 0.436 71 L N 0.925 122.096 121.223 -0.087 0.000 2.042 71 L HA -0.153 4.188 4.340 0.001 0.000 0.210 71 L C 1.949 178.754 176.870 -0.109 0.000 1.076 71 L CA 1.694 56.481 54.840 -0.088 0.000 0.749 71 L CB -0.246 41.751 42.059 -0.103 0.000 0.893 71 L HN 0.170 nan 8.230 nan 0.000 0.432 72 L N -1.161 119.907 121.223 -0.258 0.000 2.072 72 L HA -0.143 4.197 4.340 0.001 0.000 0.205 72 L C 2.759 179.574 176.870 -0.092 0.000 1.079 72 L CA 1.123 55.723 54.840 -0.401 0.000 0.752 72 L CB -0.534 40.796 42.059 -1.215 0.000 0.906 72 L HN 0.287 nan 8.230 nan 0.000 0.436 73 R N 0.492 121.007 120.500 0.025 0.000 2.083 73 R HA -0.241 4.099 4.340 0.001 0.000 0.237 73 R C 2.363 178.743 176.300 0.133 0.000 1.137 73 R CA 1.875 58.105 56.100 0.217 0.000 0.951 73 R CB -0.338 30.063 30.300 0.168 0.000 0.851 73 R HN 0.204 nan 8.270 nan 0.000 0.434 74 L N 1.108 122.374 121.223 0.072 0.000 2.017 74 L HA -0.143 4.197 4.340 0.001 0.000 0.208 74 L C 2.078 178.993 176.870 0.076 0.000 1.073 74 L CA 1.673 56.553 54.840 0.066 0.000 0.745 74 L CB -0.532 41.556 42.059 0.048 0.000 0.894 74 L HN 0.237 nan 8.230 nan 0.000 0.432 75 L N -0.396 120.877 121.223 0.083 0.000 2.042 75 L HA -0.223 4.117 4.340 0.001 0.000 0.210 75 L C 2.706 179.651 176.870 0.125 0.000 1.076 75 L CA 1.321 56.222 54.840 0.102 0.000 0.749 75 L CB -0.883 41.278 42.059 0.171 0.000 0.893 75 L HN 0.454 nan 8.230 nan 0.000 0.432 76 A N 0.087 123.017 122.820 0.183 0.000 1.877 76 A HA -0.254 4.067 4.320 0.001 0.000 0.216 76 A C 2.420 180.068 177.584 0.108 0.000 1.186 76 A CA 2.379 54.529 52.037 0.188 0.000 0.620 76 A CB -1.164 17.996 19.000 0.267 0.000 0.822 76 A HN 0.536 nan 8.150 nan 0.000 0.443 77 T N -1.434 113.176 114.554 0.092 0.000 2.822 77 T HA -0.119 4.231 4.350 0.001 0.000 0.270 77 T C 1.218 175.942 174.700 0.039 0.000 1.064 77 T CA 1.732 63.867 62.100 0.058 0.000 1.131 77 T CB -0.962 67.938 68.868 0.054 0.000 0.858 77 T HN 0.951 nan 8.240 nan 0.000 0.483 78 V N -2.536 117.400 119.914 0.037 0.000 3.271 78 V HA 0.777 4.898 4.120 0.001 0.000 0.327 78 V C 1.571 177.666 176.094 0.002 0.000 1.389 78 V CA -0.117 62.191 62.300 0.013 0.000 1.156 78 V CB -0.791 31.033 31.823 0.001 0.000 1.103 78 V HN 0.718 nan 8.190 nan 0.000 0.453 79 G N 0.101 108.912 108.800 0.018 0.000 2.175 79 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 79 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 79 G C 0.063 174.948 174.900 -0.026 0.000 0.982 79 G CA 0.013 45.114 45.100 0.002 0.000 0.641 79 G HN 0.883 nan 8.290 nan 0.000 0.527 80 V N 1.608 121.501 119.914 -0.036 0.000 2.383 80 V HA 0.703 4.823 4.120 0.001 0.000 0.275 80 V C 0.766 176.821 176.094 -0.065 0.000 1.036 80 V CA 0.010 62.218 62.300 -0.153 0.000 0.889 80 V CB -0.302 31.404 31.823 -0.196 0.000 0.985 80 V HN 0.696 nan 8.190 nan 0.000 0.459 81 F N 1.865 121.829 119.950 0.024 0.000 2.182 81 F HA -0.197 4.331 4.527 0.001 0.000 0.320 81 F C 0.152 175.997 175.800 0.074 0.000 1.254 81 F CA 0.413 58.447 58.000 0.057 0.000 0.920 81 F CB -0.145 38.904 39.000 0.081 0.000 4.124 81 F HN 0.633 nan 8.300 nan 0.000 0.152 82 D N 0.701 121.281 120.400 0.300 0.000 2.248 82 D HA 0.383 5.024 4.640 0.001 0.000 0.246 82 D C -1.444 174.940 176.300 0.140 0.000 1.027 82 D CA -0.479 53.621 54.000 0.165 0.000 0.853 82 D CB 1.207 42.060 40.800 0.089 0.000 1.243 82 D HN 0.485 nan 8.370 nan 0.000 0.462 83 D N 3.545 123.963 120.400 0.030 0.000 2.349 83 D HA 0.145 4.786 4.640 0.001 0.000 0.232 83 D C 0.871 177.020 176.300 -0.251 0.000 1.071 83 D CA -0.397 53.470 54.000 -0.222 0.000 0.832 83 D CB 1.279 41.990 40.800 -0.149 0.000 1.086 83 D HN 0.432 nan 8.370 nan 0.000 0.504 84 L N 3.021 124.017 121.223 -0.379 0.000 2.291 84 L HA 0.109 4.449 4.340 0.001 0.000 0.214 84 L C 1.814 178.539 176.870 -0.241 0.000 1.120 84 L CA 0.794 55.451 54.840 -0.305 0.000 0.799 84 L CB -0.322 41.445 42.059 -0.487 0.000 0.925 84 L HN 0.761 nan 8.230 nan 0.000 0.446 85 G N 0.256 108.876 108.800 -0.300 0.000 2.176 85 G HA2 -0.284 3.677 3.960 0.001 0.000 0.253 85 G HA3 -0.284 3.677 3.960 0.001 0.000 0.253 85 G C 0.117 174.980 174.900 -0.061 0.000 0.979 85 G CA 0.466 45.480 45.100 -0.143 0.000 0.641 85 G HN 0.701 nan 8.290 nan 0.000 0.530 86 H N -2.788 116.204 119.070 -0.130 0.000 2.996 86 H HA 0.602 5.159 4.556 0.001 0.000 0.368 86 H C 0.259 175.527 175.328 -0.101 0.000 1.185 86 H CA -0.441 55.551 56.048 -0.094 0.000 1.160 86 H CB 0.986 30.708 29.762 -0.067 0.000 1.820 86 H HN -0.020 nan 8.280 nan 0.000 0.547 87 D N 1.194 121.619 120.400 0.042 0.000 2.955 87 D HA -0.266 4.375 4.640 0.001 0.000 0.226 87 D C -0.144 176.110 176.300 -0.077 0.000 1.178 87 D CA 1.834 55.843 54.000 0.015 0.000 0.808 87 D CB -0.877 39.992 40.800 0.115 0.000 1.099 87 D HN 1.009 nan 8.370 nan 0.000 0.421 88 D N -1.245 119.069 120.400 -0.143 0.000 2.981 88 D HA -0.202 4.438 4.640 0.001 0.000 0.223 88 D C -0.277 175.907 176.300 -0.193 0.000 1.151 88 D CA 0.596 54.519 54.000 -0.127 0.000 0.827 88 D CB -0.932 39.863 40.800 -0.008 0.000 1.101 88 D HN 0.477 nan 8.370 nan 0.000 0.426 89 L N 0.061 121.054 121.223 -0.383 0.000 2.350 89 L HA 0.530 4.871 4.340 0.001 0.000 0.275 89 L C 0.205 176.732 176.870 -0.572 0.000 1.099 89 L CA -0.416 54.220 54.840 -0.341 0.000 0.808 89 L CB 0.663 42.509 42.059 -0.355 0.000 1.149 89 L HN -0.063 nan 8.230 nan 0.000 0.442 90 F N 1.345 121.212 119.950 -0.137 0.000 2.547 90 F HA 0.647 5.174 4.527 0.001 0.000 0.316 90 F C 0.159 175.911 175.800 -0.079 0.000 1.121 90 F CA -0.564 57.362 58.000 -0.124 0.000 0.911 90 F CB 1.948 40.827 39.000 -0.201 0.000 1.179 90 F HN 0.400 nan 8.300 nan 0.000 0.443 91 A N 2.859 125.762 122.820 0.138 0.000 2.350 91 A HA 0.590 4.910 4.320 0.001 0.000 0.324 91 A C -0.536 177.193 177.584 0.241 0.000 1.118 91 A CA -0.811 51.304 52.037 0.131 0.000 0.783 91 A CB 1.035 20.076 19.000 0.069 0.000 1.236 91 A HN 0.621 nan 8.150 nan 0.000 0.457 92 Q N 1.274 121.211 119.800 0.228 0.000 2.354 92 Q HA 0.000 4.341 4.340 0.001 0.000 0.310 92 Q C -0.173 175.914 176.000 0.145 0.000 1.104 92 Q CA 0.886 56.834 55.803 0.241 0.000 0.968 92 Q CB 0.449 29.274 28.738 0.146 0.000 1.251 92 Q HN 0.935 nan 8.270 nan 0.000 0.411 93 N N -0.873 117.874 118.700 0.079 0.000 3.102 93 N HA 0.423 5.164 4.740 0.001 0.000 0.299 93 N C 0.197 175.692 175.510 -0.025 0.000 1.482 93 N CA -0.079 52.985 53.050 0.023 0.000 0.785 93 N CB -0.109 38.392 38.487 0.024 0.000 1.680 93 N HN 0.307 nan 8.380 nan 0.000 0.594 94 A N 0.231 123.037 122.820 -0.023 0.000 1.869 94 A HA -0.134 4.187 4.320 0.001 0.000 0.218 94 A C 2.014 179.561 177.584 -0.063 0.000 1.203 94 A CA 1.951 53.969 52.037 -0.032 0.000 0.638 94 A CB -1.361 17.625 19.000 -0.023 0.000 0.831 94 A HN 0.596 nan 8.150 nan 0.000 0.450 95 L N 0.191 121.360 121.223 -0.090 0.000 2.056 95 L HA -0.176 4.164 4.340 0.001 0.000 0.207 95 L C 3.055 179.806 176.870 -0.198 0.000 1.078 95 L CA 1.664 56.428 54.840 -0.126 0.000 0.749 95 L CB -0.671 41.310 42.059 -0.130 0.000 0.901 95 L HN 0.648 nan 8.230 nan 0.000 0.433 96 S N 0.300 115.817 115.700 -0.306 0.000 2.383 96 S HA -0.131 4.339 4.470 0.001 0.000 0.227 96 S C 2.160 176.626 174.600 -0.223 0.000 1.026 96 S CA 0.786 58.694 58.200 -0.487 0.000 0.981 96 S CB -0.458 62.160 63.200 -0.971 0.000 0.818 96 S HN 0.338 nan 8.310 nan 0.000 0.472 97 A N 1.323 124.074 122.820 -0.116 0.000 2.070 97 A HA 0.108 4.429 4.320 0.001 0.000 0.220 97 A C 2.269 179.831 177.584 -0.037 0.000 1.159 97 A CA 1.328 53.341 52.037 -0.041 0.000 0.656 97 A CB -0.978 18.014 19.000 -0.014 0.000 0.800 97 A HN 0.456 nan 8.150 nan 0.000 0.453 98 V N 0.065 119.944 119.914 -0.057 0.000 2.720 98 V HA -0.196 3.925 4.120 0.001 0.000 0.256 98 V C 2.076 178.151 176.094 -0.031 0.000 1.082 98 V CA 1.613 63.889 62.300 -0.039 0.000 1.101 98 V CB -0.640 31.155 31.823 -0.047 0.000 0.693 98 V HN 0.613 nan 8.190 nan 0.000 0.479 99 L N -0.602 120.591 121.223 -0.049 0.000 2.591 99 L HA 0.162 4.503 4.340 0.001 0.000 0.228 99 L C 0.724 177.596 176.870 0.004 0.000 1.133 99 L CA 0.046 54.870 54.840 -0.028 0.000 0.880 99 L CB -0.352 41.674 42.059 -0.055 0.000 1.033 99 L HN 0.235 nan 8.230 nan 0.000 0.450 100 L N 2.344 123.572 121.223 0.008 0.000 2.540 100 L HA 0.042 4.382 4.340 0.001 0.000 0.276 100 L C -1.567 175.318 176.870 0.025 0.000 1.212 100 L CA -1.417 53.437 54.840 0.023 0.000 0.893 100 L CB 0.125 42.197 42.059 0.023 0.000 1.138 100 L HN -0.110 nan 8.230 nan 0.000 0.491 101 P HA 0.009 nan 4.420 nan 0.000 0.238 101 P C -0.860 176.457 177.300 0.028 0.000 1.729 101 P CA -0.043 63.075 63.100 0.032 0.000 1.055 101 P CB -0.200 31.520 31.700 0.033 0.000 1.980 102 D N 2.463 122.879 120.400 0.026 0.000 2.317 102 D HA 0.121 4.761 4.640 0.001 0.000 0.234 102 D C -1.282 175.032 176.300 0.024 0.000 1.112 102 D CA -2.526 51.487 54.000 0.023 0.000 0.840 102 D CB 1.251 42.063 40.800 0.020 0.000 1.078 102 D HN 0.094 nan 8.370 nan 0.000 0.486 103 P HA -0.025 nan 4.420 nan 0.000 0.234 103 P C 0.522 177.831 177.300 0.016 0.000 1.167 103 P CA 0.397 63.509 63.100 0.020 0.000 0.763 103 P CB 0.371 32.081 31.700 0.017 0.000 0.835 104 A N -0.883 121.948 122.820 0.017 0.000 2.303 104 A HA 0.213 4.533 4.320 0.001 0.000 0.217 104 A C 1.068 178.665 177.584 0.021 0.000 1.205 104 A CA 0.144 52.191 52.037 0.017 0.000 0.875 104 A CB -0.176 18.834 19.000 0.016 0.000 0.910 104 A HN 0.083 nan 8.150 nan 0.000 0.501 105 S N 1.604 117.318 115.700 0.023 0.000 2.452 105 S HA 0.352 4.822 4.470 0.001 0.000 0.284 105 S C -1.968 172.652 174.600 0.032 0.000 1.171 105 S CA -0.945 57.271 58.200 0.026 0.000 1.064 105 S CB 1.355 64.569 63.200 0.023 0.000 0.967 105 S HN 0.164 nan 8.310 nan 0.000 0.484 106 P HA -0.057 nan 4.420 nan 0.000 0.216 106 P C 1.409 178.743 177.300 0.057 0.000 1.153 106 P CA 0.526 63.655 63.100 0.047 0.000 0.844 106 P CB 0.057 31.787 31.700 0.050 0.000 0.787 107 V N 0.230 120.171 119.914 0.044 0.000 2.343 107 V HA -0.245 3.875 4.120 0.001 0.000 0.247 107 V C 2.458 178.578 176.094 0.044 0.000 1.051 107 V CA 2.334 64.659 62.300 0.040 0.000 1.036 107 V CB -1.726 30.109 31.823 0.019 0.000 0.654 107 V HN 0.105 nan 8.190 nan 0.000 0.451 108 A N 0.686 123.529 122.820 0.038 0.000 1.898 108 A HA -0.150 4.171 4.320 0.001 0.000 0.214 108 A C 2.493 180.112 177.584 0.059 0.000 1.183 108 A CA 2.012 54.073 52.037 0.040 0.000 0.622 108 A CB -0.891 18.127 19.000 0.029 0.000 0.824 108 A HN 0.608 nan 8.150 nan 0.000 0.444 109 T N -2.152 112.441 114.554 0.064 0.000 2.821 109 T HA -0.171 4.180 4.350 0.001 0.000 0.267 109 T C 1.589 176.375 174.700 0.143 0.000 1.046 109 T CA 1.653 63.803 62.100 0.083 0.000 1.139 109 T CB -0.403 68.497 68.868 0.054 0.000 0.871 109 T HN 0.329 nan 8.240 nan 0.000 0.454 110 D N 1.986 122.474 120.400 0.147 0.000 2.097 110 D HA 0.071 4.712 4.640 0.001 0.000 0.197 110 D C 2.420 178.807 176.300 0.145 0.000 0.984 110 D CA 1.363 55.497 54.000 0.223 0.000 0.826 110 D CB -0.655 40.255 40.800 0.183 0.000 0.973 110 D HN 0.468 nan 8.370 nan 0.000 0.460 111 A N 0.257 123.130 122.820 0.088 0.000 1.978 111 A HA -0.187 4.134 4.320 0.001 0.000 0.220 111 A C 2.227 179.818 177.584 0.012 0.000 1.170 111 A CA 1.850 53.929 52.037 0.069 0.000 0.636 111 A CB -0.475 18.574 19.000 0.082 0.000 0.810 111 A HN 0.149 nan 8.150 nan 0.000 0.448 112 R N -1.150 119.379 120.500 0.048 0.000 2.075 112 R HA -0.009 4.332 4.340 0.001 0.000 0.226 112 R C 1.723 178.044 176.300 0.035 0.000 1.114 112 R CA 1.464 57.584 56.100 0.033 0.000 0.972 112 R CB -1.000 29.345 30.300 0.074 0.000 0.869 112 R HN 0.443 nan 8.270 nan 0.000 0.437 113 F N 1.618 121.546 119.950 -0.037 0.000 2.095 113 F HA -0.181 4.347 4.527 0.001 0.000 0.298 113 F C 1.733 177.395 175.800 -0.230 0.000 1.104 113 F CA 1.951 59.958 58.000 0.011 0.000 1.232 113 F CB -0.570 38.541 39.000 0.185 0.000 0.987 113 F HN 0.140 nan 8.300 nan 0.000 0.475 114 Q N -0.152 119.262 119.800 -0.643 0.000 2.224 114 Q HA -0.084 4.257 4.340 0.001 0.000 0.203 114 Q C 2.324 177.686 176.000 -1.063 0.000 0.970 114 Q CA 1.157 56.202 55.803 -1.263 0.000 0.865 114 Q CB -0.418 27.762 28.738 -0.932 0.000 0.922 114 Q HN 0.532 nan 8.270 nan 0.000 0.445 115 A N 1.123 123.478 122.820 -0.775 0.000 2.067 115 A HA 0.137 4.458 4.320 0.001 0.000 0.219 115 A C 1.191 178.512 177.584 -0.439 0.000 1.158 115 A CA 0.595 52.288 52.037 -0.574 0.000 0.661 115 A CB -0.397 18.449 19.000 -0.257 0.000 0.801 115 A HN 0.334 nan 8.150 nan 0.000 0.452 116 A N 0.448 122.949 122.820 -0.532 0.000 2.546 116 A HA 0.402 4.723 4.320 0.001 0.000 0.243 116 A C -0.922 176.280 177.584 -0.637 0.000 1.063 116 A CA -0.613 50.999 52.037 -0.708 0.000 0.757 116 A CB -0.009 18.183 19.000 -1.346 0.000 0.991 116 A HN 0.231 nan 8.150 nan 0.000 0.503 117 P HA -0.166 nan 4.420 nan 0.000 0.216 117 P C 1.510 178.799 177.300 -0.018 0.000 1.150 117 P CA 1.748 64.763 63.100 -0.140 0.000 0.837 117 P CB -0.144 31.526 31.700 -0.051 0.000 0.786 118 W N -1.077 120.289 121.300 0.110 0.000 2.425 118 W HA -0.132 4.528 4.660 0.001 0.000 0.277 118 W C 1.865 178.416 176.519 0.053 0.000 1.231 118 W CA 0.574 57.932 57.345 0.021 0.000 1.248 118 W CB -1.978 27.513 29.460 0.051 0.000 1.117 118 W HN 0.131 nan 8.180 nan 0.000 0.568 119 H N 0.387 119.465 119.070 0.014 0.000 2.270 119 H HA -0.234 4.323 4.556 0.001 0.000 0.299 119 H C 2.159 177.601 175.328 0.190 0.000 1.077 119 H CA 2.310 58.411 56.048 0.089 0.000 1.294 119 H CB -1.290 28.216 29.762 -0.426 0.000 1.371 119 H HN 0.220 nan 8.280 nan 0.000 0.491 120 W N 2.482 123.905 121.300 0.205 0.000 2.325 120 W HA -0.218 4.443 4.660 0.001 0.000 0.299 120 W C 2.584 179.220 176.519 0.195 0.000 1.215 120 W CA 1.681 59.152 57.345 0.210 0.000 1.244 120 W CB -0.310 29.172 29.460 0.037 0.000 1.140 120 W HN 0.258 nan 8.180 nan 0.000 0.523 121 R N 0.525 121.170 120.500 0.242 0.000 2.115 121 R HA -0.127 4.213 4.340 0.001 0.000 0.230 121 R C 2.466 178.726 176.300 -0.065 0.000 1.111 121 R CA 1.553 57.699 56.100 0.077 0.000 0.976 121 R CB -0.585 29.741 30.300 0.043 0.000 0.870 121 R HN 0.101 nan 8.270 nan 0.000 0.445 122 A N 0.078 122.824 122.820 -0.123 0.000 1.908 122 A HA -0.193 4.127 4.320 0.001 0.000 0.218 122 A C 1.675 179.101 177.584 -0.264 0.000 1.181 122 A CA 1.315 53.202 52.037 -0.249 0.000 0.627 122 A CB -0.948 17.913 19.000 -0.230 0.000 0.818 122 A HN 0.572 nan 8.150 nan 0.000 0.445 123 W N 0.110 121.294 121.300 -0.193 0.000 2.465 123 W HA -0.027 4.633 4.660 0.001 0.000 0.268 123 W C 2.157 178.535 176.519 -0.234 0.000 1.242 123 W CA 0.971 58.178 57.345 -0.230 0.000 1.248 123 W CB 0.024 29.276 29.460 -0.347 0.000 1.118 123 W HN 0.589 nan 8.180 nan 0.000 0.587 124 E N 0.271 120.447 120.200 -0.040 0.000 2.085 124 E HA -0.248 4.102 4.350 0.001 0.000 0.194 124 E C 1.325 177.912 176.600 -0.022 0.000 0.994 124 E CA 1.148 57.523 56.400 -0.042 0.000 0.801 124 E CB -0.042 29.644 29.700 -0.023 0.000 0.743 124 E HN 0.143 nan 8.360 nan 0.000 0.453 125 Q N 0.510 120.278 119.800 -0.053 0.000 2.217 125 Q HA 0.052 4.393 4.340 0.001 0.000 0.226 125 Q C 1.487 177.476 176.000 -0.019 0.000 0.875 125 Q CA -0.145 55.636 55.803 -0.036 0.000 0.974 125 Q CB 0.597 29.287 28.738 -0.080 0.000 1.079 125 Q HN 0.290 nan 8.270 nan 0.000 0.463 126 L N 0.626 121.832 121.223 -0.028 0.000 2.129 126 L HA -0.189 4.151 4.340 0.001 0.000 0.212 126 L C 1.721 178.589 176.870 -0.003 0.000 1.087 126 L CA 2.004 56.823 54.840 -0.036 0.000 0.757 126 L CB -0.717 41.379 42.059 0.062 0.000 0.896 126 L HN 0.117 nan 8.230 nan 0.000 0.434 127 T N -1.690 112.878 114.554 0.024 0.000 2.720 127 T HA -0.280 4.071 4.350 0.001 0.000 0.268 127 T C 1.732 176.444 174.700 0.021 0.000 1.037 127 T CA 1.736 63.849 62.100 0.021 0.000 1.144 127 T CB -0.491 68.394 68.868 0.029 0.000 0.864 127 T HN 0.677 nan 8.240 nan 0.000 0.444 128 H N 1.064 120.108 119.070 -0.044 0.000 2.352 128 H HA -0.056 4.501 4.556 0.001 0.000 0.299 128 H C 2.343 177.637 175.328 -0.056 0.000 1.097 128 H CA 1.915 57.935 56.048 -0.046 0.000 1.311 128 H CB -0.302 29.431 29.762 -0.049 0.000 1.377 128 H HN 0.186 nan 8.280 nan 0.000 0.504 129 S N -0.667 115.006 115.700 -0.045 0.000 2.368 129 S HA -0.135 4.335 4.470 0.001 0.000 0.225 129 S C 2.293 176.812 174.600 -0.135 0.000 1.030 129 S CA 1.199 59.331 58.200 -0.113 0.000 0.999 129 S CB -0.272 62.866 63.200 -0.102 0.000 0.844 129 S HN 0.295 nan 8.310 nan 0.000 0.459 130 V N 1.435 121.290 119.914 -0.098 0.000 2.667 130 V HA -0.058 4.062 4.120 0.001 0.000 0.252 130 V C 2.303 178.340 176.094 -0.095 0.000 1.065 130 V CA 1.424 63.676 62.300 -0.080 0.000 1.083 130 V CB -0.573 31.221 31.823 -0.048 0.000 0.692 130 V HN 0.330 nan 8.190 nan 0.000 0.468 131 R N 0.190 120.615 120.500 -0.125 0.000 2.153 131 R HA -0.055 4.286 4.340 0.001 0.000 0.218 131 R C 2.222 178.421 176.300 -0.168 0.000 1.072 131 R CA 1.692 57.715 56.100 -0.130 0.000 0.990 131 R CB -0.093 30.134 30.300 -0.123 0.000 0.889 131 R HN 0.714 nan 8.270 nan 0.000 0.452 132 T N -5.671 108.734 114.554 -0.248 0.000 2.958 132 T HA 0.227 4.577 4.350 0.001 0.000 0.256 132 T C 1.330 175.938 174.700 -0.154 0.000 0.983 132 T CA 0.443 62.403 62.100 -0.233 0.000 0.924 132 T CB 1.210 69.837 68.868 -0.401 0.000 1.136 132 T HN 0.260 nan 8.240 nan 0.000 0.506 133 G N 1.462 110.177 108.800 -0.142 0.000 2.179 133 G HA2 -0.203 3.758 3.960 0.001 0.000 0.260 133 G HA3 -0.203 3.758 3.960 0.001 0.000 0.260 133 G C -0.114 174.739 174.900 -0.079 0.000 0.977 133 G CA 0.308 45.352 45.100 -0.094 0.000 0.641 133 G HN 0.620 nan 8.290 nan 0.000 0.533 134 E N -0.010 120.134 120.200 -0.093 0.000 2.267 134 E HA 0.713 5.064 4.350 0.001 0.000 0.258 134 E C 0.734 177.328 176.600 -0.010 0.000 1.074 134 E CA -0.020 56.363 56.400 -0.029 0.000 0.915 134 E CB 1.039 30.755 29.700 0.026 0.000 1.186 134 E HN 0.746 nan 8.360 nan 0.000 0.439 135 A N 0.568 123.391 122.820 0.004 0.000 2.407 135 A HA 0.189 4.509 4.320 0.001 0.000 0.248 135 A C 0.958 178.568 177.584 0.044 0.000 1.082 135 A CA 0.320 52.337 52.037 -0.032 0.000 0.785 135 A CB 0.085 19.045 19.000 -0.066 0.000 1.020 135 A HN 0.577 nan 8.150 nan 0.000 0.489 136 S N 1.126 116.812 115.700 -0.024 0.000 2.535 136 S HA 0.005 4.475 4.470 0.001 0.000 0.214 136 S C 1.303 175.855 174.600 -0.079 0.000 0.980 136 S CA 0.435 58.612 58.200 -0.039 0.000 0.907 136 S CB -0.459 62.687 63.200 -0.091 0.000 0.790 136 S HN 0.697 nan 8.310 nan 0.000 0.510 137 F N 3.042 122.882 119.950 -0.184 0.000 2.216 137 F HA -0.053 4.474 4.527 0.001 0.000 0.300 137 F C 1.405 177.148 175.800 -0.095 0.000 1.085 137 F CA 1.658 59.572 58.000 -0.143 0.000 1.326 137 F CB -0.143 38.761 39.000 -0.161 0.000 1.027 137 F HN 0.160 nan 8.300 nan 0.000 0.497 138 D N -0.353 120.132 120.400 0.141 0.000 2.103 138 D HA -0.154 4.486 4.640 0.001 0.000 0.199 138 D C 2.412 178.679 176.300 -0.054 0.000 0.978 138 D CA 1.495 55.542 54.000 0.078 0.000 0.829 138 D CB -0.540 40.294 40.800 0.058 0.000 0.981 138 D HN 0.119 nan 8.370 nan 0.000 0.464 139 V N 1.141 120.969 119.914 -0.143 0.000 2.282 139 V HA -0.295 3.826 4.120 0.001 0.000 0.249 139 V C 2.365 178.358 176.094 -0.168 0.000 1.057 139 V CA 2.096 64.264 62.300 -0.219 0.000 1.032 139 V CB -0.822 30.741 31.823 -0.433 0.000 0.645 139 V HN 0.266 nan 8.190 nan 0.000 0.447 140 A N -0.290 122.419 122.820 -0.185 0.000 1.897 140 A HA -0.117 4.204 4.320 0.001 0.000 0.215 140 A C 1.956 179.435 177.584 -0.175 0.000 1.181 140 A CA 1.623 53.554 52.037 -0.176 0.000 0.620 140 A CB -0.370 18.506 19.000 -0.207 0.000 0.821 140 A HN 0.599 nan 8.150 nan 0.000 0.443 141 N N -1.599 116.956 118.700 -0.242 0.000 2.254 141 N HA 0.149 4.890 4.740 0.001 0.000 0.190 141 N C 1.206 176.671 175.510 -0.075 0.000 1.107 141 N CA 1.002 53.930 53.050 -0.204 0.000 0.869 141 N CB 0.847 39.067 38.487 -0.445 0.000 0.983 141 N HN 0.591 nan 8.380 nan 0.000 0.487 142 G N 0.552 109.320 108.800 -0.054 0.000 2.234 142 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 142 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 142 G C 0.363 175.269 174.900 0.010 0.000 0.987 142 G CA 1.074 46.162 45.100 -0.020 0.000 0.625 142 G HN 0.532 nan 8.290 nan 0.000 0.532 143 T N -0.510 114.073 114.554 0.049 0.000 2.887 143 T HA 0.686 5.037 4.350 0.001 0.000 0.292 143 T C 0.600 175.409 174.700 0.182 0.000 1.087 143 T CA 0.947 63.096 62.100 0.082 0.000 1.009 143 T CB 1.434 70.336 68.868 0.056 0.000 1.203 143 T HN 1.366 nan 8.240 nan 0.000 0.518 144 S N 1.389 117.153 115.700 0.108 0.000 2.632 144 S HA 0.347 4.817 4.470 0.001 0.000 0.267 144 S C 1.034 175.546 174.600 -0.147 0.000 1.276 144 S CA -0.543 57.694 58.200 0.061 0.000 0.998 144 S CB 0.399 63.626 63.200 0.044 0.000 0.953 144 S HN 0.654 nan 8.310 nan 0.000 0.547 145 F N 0.650 120.128 119.950 -0.787 0.000 2.102 145 F HA 0.065 4.593 4.527 0.001 0.000 0.298 145 F C 1.685 177.009 175.800 -0.793 0.000 1.105 145 F CA 1.070 58.251 58.000 -1.364 0.000 1.239 145 F CB -0.485 37.487 39.000 -1.714 0.000 0.991 145 F HN 0.737 nan 8.300 nan 0.000 0.474 146 W N -0.022 121.116 121.300 -0.269 0.000 2.363 146 W HA -0.186 4.474 4.660 0.001 0.000 0.296 146 W C 2.555 178.974 176.519 -0.166 0.000 1.212 146 W CA 0.712 57.937 57.345 -0.201 0.000 1.260 146 W CB -0.606 28.857 29.460 0.005 0.000 1.131 146 W HN 0.045 nan 8.180 nan 0.000 0.530 147 Q N 0.755 120.594 119.800 0.064 0.000 2.079 147 Q HA -0.185 4.155 4.340 0.001 0.000 0.200 147 Q C 2.079 178.045 176.000 -0.056 0.000 0.974 147 Q CA 1.517 57.327 55.803 0.011 0.000 0.840 147 Q CB -0.701 28.035 28.738 -0.004 0.000 0.898 147 Q HN 0.327 nan 8.270 nan 0.000 0.430 148 L N -0.023 121.088 121.223 -0.186 0.000 2.027 148 L HA -0.102 4.239 4.340 0.001 0.000 0.206 148 L C 1.990 178.675 176.870 -0.308 0.000 1.074 148 L CA 2.488 57.168 54.840 -0.266 0.000 0.745 148 L CB -1.062 40.763 42.059 -0.390 0.000 0.898 148 L HN 0.430 nan 8.230 nan 0.000 0.433 149 T N -4.051 110.238 114.554 -0.442 0.000 3.113 149 T HA -0.158 4.192 4.350 0.001 0.000 0.263 149 T C 1.870 176.534 174.700 -0.061 0.000 1.143 149 T CA 1.072 62.980 62.100 -0.321 0.000 1.090 149 T CB -0.678 67.917 68.868 -0.455 0.000 0.922 149 T HN 0.516 nan 8.240 nan 0.000 0.521 150 H N 1.536 120.551 119.070 -0.092 0.000 2.370 150 H HA 0.188 4.745 4.556 0.001 0.000 0.304 150 H C 1.822 177.131 175.328 -0.032 0.000 1.055 150 H CA 1.499 57.530 56.048 -0.029 0.000 1.373 150 H CB 0.166 29.924 29.762 -0.008 0.000 1.423 150 H HN 0.530 nan 8.280 nan 0.000 0.533 151 E N 0.048 120.371 120.200 0.205 0.000 2.086 151 E HA -0.057 4.293 4.350 0.001 0.000 0.190 151 E C 0.147 176.782 176.600 0.059 0.000 0.975 151 E CA 0.572 57.054 56.400 0.137 0.000 0.813 151 E CB 0.325 30.055 29.700 0.049 0.000 0.768 151 E HN 0.234 nan 8.360 nan 0.000 0.457 152 D N 0.306 120.712 120.400 0.009 0.000 2.359 152 D HA 0.079 4.720 4.640 0.001 0.000 0.230 152 D C -2.023 174.288 176.300 0.019 0.000 1.118 152 D CA -2.576 51.430 54.000 0.009 0.000 0.844 152 D CB 1.426 42.218 40.800 -0.013 0.000 1.059 152 D HN -0.247 nan 8.370 nan 0.000 0.493 153 P HA -0.159 nan 4.420 nan 0.000 0.215 153 P C 1.125 178.474 177.300 0.081 0.000 1.153 153 P CA 1.125 64.253 63.100 0.047 0.000 0.853 153 P CB 0.333 32.058 31.700 0.043 0.000 0.788 154 K N 0.335 120.799 120.400 0.107 0.000 2.057 154 K HA -0.043 4.278 4.320 0.001 0.000 0.206 154 K C 1.961 178.708 176.600 0.245 0.000 1.050 154 K CA 1.743 58.126 56.287 0.161 0.000 0.935 154 K CB -1.324 31.278 32.500 0.171 0.000 0.715 154 K HN -0.059 nan 8.250 nan 0.000 0.439 155 A N 0.858 123.822 122.820 0.240 0.000 1.908 155 A HA -0.193 4.128 4.320 0.001 0.000 0.218 155 A C 2.262 179.965 177.584 0.199 0.000 1.181 155 A CA 1.983 54.192 52.037 0.287 0.000 0.627 155 A CB -0.610 18.288 19.000 -0.169 0.000 0.818 155 A HN 0.433 nan 8.150 nan 0.000 0.445 156 R N -0.226 120.327 120.500 0.088 0.000 2.092 156 R HA -0.133 4.208 4.340 0.001 0.000 0.231 156 R C 2.141 178.543 176.300 0.170 0.000 1.119 156 R CA 1.650 57.819 56.100 0.114 0.000 0.970 156 R CB -0.284 30.051 30.300 0.059 0.000 0.864 156 R HN 0.705 nan 8.270 nan 0.000 0.440 157 E N 0.527 120.814 120.200 0.146 0.000 2.072 157 E HA -0.183 4.167 4.350 0.001 0.000 0.191 157 E C 2.015 178.699 176.600 0.139 0.000 0.985 157 E CA 1.129 57.600 56.400 0.118 0.000 0.801 157 E CB -0.051 29.713 29.700 0.106 0.000 0.750 157 E HN 0.407 nan 8.360 nan 0.000 0.452 158 L N 0.243 121.613 121.223 0.246 0.000 2.012 158 L HA -0.175 4.166 4.340 0.001 0.000 0.210 158 L C 2.549 179.515 176.870 0.160 0.000 1.073 158 L CA 1.354 56.374 54.840 0.301 0.000 0.748 158 L CB -0.579 41.805 42.059 0.541 0.000 0.891 158 L HN 0.255 nan 8.230 nan 0.000 0.431 159 F N 1.410 121.355 119.950 -0.008 0.000 2.051 159 F HA -0.208 4.320 4.527 0.001 0.000 0.296 159 F C 2.426 178.123 175.800 -0.171 0.000 1.122 159 F CA 1.660 59.449 58.000 -0.352 0.000 1.201 159 F CB -0.571 38.355 39.000 -0.123 0.000 0.978 159 F HN 0.063 nan 8.300 nan 0.000 0.472 160 N N 0.683 119.192 118.700 -0.318 0.000 2.272 160 N HA -0.155 4.586 4.740 0.001 0.000 0.185 160 N C 1.950 177.308 175.510 -0.253 0.000 1.014 160 N CA 1.127 53.957 53.050 -0.367 0.000 0.870 160 N CB -0.345 38.084 38.487 -0.097 0.000 0.975 160 N HN 0.447 nan 8.380 nan 0.000 0.433 161 R N 0.512 120.923 120.500 -0.148 0.000 2.075 161 R HA 0.154 4.494 4.340 0.001 0.000 0.226 161 R C 1.157 177.399 176.300 -0.097 0.000 1.114 161 R CA 0.590 56.643 56.100 -0.079 0.000 0.972 161 R CB -0.141 30.157 30.300 -0.003 0.000 0.869 161 R HN 0.095 nan 8.270 nan 0.000 0.437 165 S N 0.689 116.371 115.700 -0.030 0.000 2.406 165 S HA 0.060 4.530 4.470 0.001 0.000 0.228 165 S C 2.157 176.768 174.600 0.020 0.000 1.020 165 S CA 1.478 59.678 58.200 0.001 0.000 0.965 165 S CB -0.111 63.094 63.200 0.007 0.000 0.798 165 S HN 0.207 nan 8.310 nan 0.000 0.488 166 V N 2.071 121.998 119.914 0.022 0.000 2.379 166 V HA -0.084 4.036 4.120 0.001 0.000 0.245 166 V C 2.750 178.891 176.094 0.077 0.000 1.044 166 V CA 2.008 64.341 62.300 0.055 0.000 1.036 166 V CB -0.852 31.005 31.823 0.058 0.000 0.664 166 V HN 0.553 nan 8.190 nan 0.000 0.453 167 S N -0.211 115.529 115.700 0.066 0.000 2.428 167 S HA -0.014 4.456 4.470 0.001 0.000 0.230 167 S C 1.888 176.516 174.600 0.048 0.000 1.014 167 S CA 0.959 59.203 58.200 0.074 0.000 0.957 167 S CB -0.233 63.004 63.200 0.061 0.000 0.784 167 S HN 0.433 nan 8.310 nan 0.000 0.499 168 L N 1.118 122.361 121.223 0.033 0.000 2.042 168 L HA -0.165 4.176 4.340 0.001 0.000 0.210 168 L C 2.603 179.492 176.870 0.032 0.000 1.076 168 L CA 1.268 56.124 54.840 0.026 0.000 0.749 168 L CB -0.961 41.109 42.059 0.019 0.000 0.893 168 L HN 0.339 nan 8.230 nan 0.000 0.432 169 T N -1.077 113.502 114.554 0.041 0.000 2.732 169 T HA -0.167 4.184 4.350 0.001 0.000 0.261 169 T C 1.701 176.432 174.700 0.051 0.000 1.040 169 T CA 1.184 63.311 62.100 0.045 0.000 1.145 169 T CB -0.132 68.767 68.868 0.050 0.000 0.866 169 T HN 0.364 nan 8.240 nan 0.000 0.427 170 E N 1.182 121.420 120.200 0.063 0.000 2.118 170 E HA -0.097 4.254 4.350 0.001 0.000 0.195 170 E C 2.543 179.170 176.600 0.045 0.000 0.992 170 E CA 0.862 57.299 56.400 0.062 0.000 0.804 170 E CB -0.267 29.483 29.700 0.082 0.000 0.741 170 E HN 0.458 nan 8.360 nan 0.000 0.458 171 A N 1.361 124.203 122.820 0.037 0.000 1.869 171 A HA -0.232 4.088 4.320 0.001 0.000 0.218 171 A C 2.483 180.089 177.584 0.036 0.000 1.203 171 A CA 2.199 54.252 52.037 0.026 0.000 0.638 171 A CB -1.521 17.488 19.000 0.016 0.000 0.831 171 A HN 0.401 nan 8.150 nan 0.000 0.450 172 G N -1.464 107.359 108.800 0.038 0.000 2.418 172 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 172 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 172 G C 1.598 176.539 174.900 0.067 0.000 1.158 172 G CA 1.045 46.173 45.100 0.047 0.000 0.771 172 G HN 0.661 nan 8.290 nan 0.000 0.545 173 Q N -0.362 119.476 119.800 0.063 0.000 2.135 173 Q HA -0.081 4.260 4.340 0.001 0.000 0.204 173 Q C 2.805 178.863 176.000 0.097 0.000 0.981 173 Q CA 1.408 57.254 55.803 0.072 0.000 0.856 173 Q CB -0.157 28.618 28.738 0.062 0.000 0.902 173 Q HN 0.427 nan 8.270 nan 0.000 0.425 174 V N 0.306 120.279 119.914 0.098 0.000 2.407 174 V HA -0.176 3.944 4.120 0.001 0.000 0.245 174 V C 2.161 178.406 176.094 0.252 0.000 1.041 174 V CA 1.582 63.965 62.300 0.138 0.000 1.040 174 V CB -0.809 31.068 31.823 0.091 0.000 0.671 174 V HN 0.370 nan 8.190 nan 0.000 0.455 175 A N 0.081 123.027 122.820 0.209 0.000 1.972 175 A HA -0.028 4.292 4.320 0.001 0.000 0.219 175 A C 2.189 180.009 177.584 0.392 0.000 1.169 175 A CA 1.854 54.067 52.037 0.294 0.000 0.635 175 A CB -0.515 18.573 19.000 0.146 0.000 0.810 175 A HN 0.579 nan 8.150 nan 0.000 0.446 176 A N -1.302 121.661 122.820 0.239 0.000 2.251 176 A HA 0.562 4.882 4.320 0.001 0.000 0.209 176 A C 1.955 179.648 177.584 0.182 0.000 1.187 176 A CA 1.112 53.263 52.037 0.190 0.000 0.823 176 A CB -0.390 18.674 19.000 0.107 0.000 0.846 176 A HN 0.795 nan 8.150 nan 0.000 0.486 177 A N -1.556 121.394 122.820 0.216 0.000 1.973 177 A HA 0.413 4.733 4.320 0.001 0.000 0.210 177 A C 0.574 178.263 177.584 0.175 0.000 1.200 177 A CA 0.422 52.558 52.037 0.164 0.000 0.707 177 A CB -0.144 18.939 19.000 0.140 0.000 0.862 177 A HN 0.516 nan 8.150 nan 0.000 0.461 178 Y N 0.125 120.467 120.300 0.071 0.000 2.468 178 Y HA 0.543 5.093 4.550 0.001 0.000 0.342 178 Y C -1.301 174.523 175.900 -0.126 0.000 1.021 178 Y CA -1.490 56.530 58.100 -0.133 0.000 1.079 178 Y CB 1.421 39.663 38.460 -0.364 0.000 1.226 178 Y HN 0.113 nan 8.280 nan 0.000 0.460 179 D N 4.557 124.546 120.400 -0.685 0.000 2.396 179 D HA 0.150 4.791 4.640 0.001 0.000 0.225 179 D C -0.508 175.463 176.300 -0.549 0.000 1.121 179 D CA -0.014 53.801 54.000 -0.308 0.000 0.853 179 D CB 0.022 40.694 40.800 -0.213 0.000 1.043 179 D HN 0.547 nan 8.370 nan 0.000 0.500 180 F N 1.385 120.960 119.950 -0.625 0.000 2.773 180 F HA 0.047 4.574 4.527 0.001 0.000 0.304 180 F C 2.322 177.905 175.800 -0.362 0.000 1.129 180 F CA -0.278 57.308 58.000 -0.691 0.000 1.378 180 F CB 0.138 38.363 39.000 -1.292 0.000 1.095 180 F HN 0.261 nan 8.300 nan 0.000 0.565 181 S N 0.354 116.129 115.700 0.125 0.000 2.420 181 S HA -0.198 4.273 4.470 0.001 0.000 0.237 181 S C 2.399 177.072 174.600 0.121 0.000 1.023 181 S CA 1.365 59.725 58.200 0.266 0.000 0.991 181 S CB -0.619 62.717 63.200 0.227 0.000 0.792 181 S HN 0.587 nan 8.310 nan 0.000 0.488 182 G N 0.471 109.296 108.800 0.041 0.000 2.683 182 G HA2 0.404 4.364 3.960 0.001 0.000 0.213 182 G HA3 0.404 4.364 3.960 0.001 0.000 0.213 182 G C 0.285 175.202 174.900 0.028 0.000 1.142 182 G CA 0.322 45.436 45.100 0.024 0.000 0.793 182 G HN 0.604 nan 8.290 nan 0.000 0.534 183 A N 0.144 122.986 122.820 0.037 0.000 2.328 183 A HA 0.720 5.041 4.320 0.001 0.000 0.284 183 A C 1.316 178.917 177.584 0.029 0.000 1.160 183 A CA 0.350 52.406 52.037 0.031 0.000 0.818 183 A CB 1.205 20.238 19.000 0.053 0.000 1.087 183 A HN 0.519 nan 8.150 nan 0.000 0.504 184 A N 2.151 124.977 122.820 0.009 0.000 1.984 184 A HA 0.377 4.698 4.320 0.001 0.000 0.214 184 A C 1.237 178.811 177.584 -0.017 0.000 1.173 184 A CA 1.636 53.676 52.037 0.004 0.000 0.673 184 A CB -0.228 18.773 19.000 0.001 0.000 0.830 184 A HN 1.401 nan 8.150 nan 0.000 0.453 185 T N -3.804 110.725 114.554 -0.042 0.000 2.903 185 T HA 0.741 5.092 4.350 0.001 0.000 0.299 185 T C -0.795 173.824 174.700 -0.135 0.000 1.093 185 T CA -0.101 61.951 62.100 -0.080 0.000 1.002 185 T CB 1.743 70.560 68.868 -0.085 0.000 1.127 185 T HN 1.148 nan 8.240 nan 0.000 0.488 186 A N 1.433 124.156 122.820 -0.162 0.000 2.486 186 A HA 0.789 5.109 4.320 0.001 0.000 0.300 186 A C -1.261 176.184 177.584 -0.231 0.000 1.048 186 A CA -0.814 51.098 52.037 -0.208 0.000 0.696 186 A CB 1.990 20.904 19.000 -0.142 0.000 1.278 186 A HN 1.022 nan 8.150 nan 0.000 0.405 187 V N 2.035 121.767 119.914 -0.303 0.000 2.483 187 V HA 0.394 4.514 4.120 0.001 0.000 0.297 187 V C -1.183 174.876 176.094 -0.058 0.000 1.027 187 V CA -0.471 61.727 62.300 -0.171 0.000 0.855 187 V CB 1.829 33.555 31.823 -0.162 0.000 0.995 187 V HN 0.937 nan 8.190 nan 0.000 0.424 188 D N 4.347 124.731 120.400 -0.027 0.000 2.317 188 D HA 0.481 5.121 4.640 0.001 0.000 0.234 188 D C -0.412 175.909 176.300 0.036 0.000 1.112 188 D CA -0.161 53.837 54.000 -0.004 0.000 0.840 188 D CB 1.099 41.889 40.800 -0.018 0.000 1.078 188 D HN 0.423 nan 8.370 nan 0.000 0.486 189 I N 2.899 123.492 120.570 0.039 0.000 2.312 189 I HA 0.333 4.504 4.170 0.001 0.000 0.291 189 I C 1.350 177.533 176.117 0.110 0.000 1.031 189 I CA -0.443 60.898 61.300 0.069 0.000 1.293 189 I CB 1.370 39.348 38.000 -0.037 0.000 1.403 189 I HN 0.644 nan 8.210 nan 0.000 0.484 190 G N 4.380 113.322 108.800 0.237 0.000 2.314 190 G HA2 -0.224 3.736 3.960 0.001 0.000 0.292 190 G HA3 -0.224 3.736 3.960 0.001 0.000 0.292 190 G C 0.883 175.872 174.900 0.148 0.000 1.059 190 G CA 0.237 45.494 45.100 0.262 0.000 0.982 190 G HN 1.039 nan 8.290 nan 0.000 0.505 191 G N -0.518 108.337 108.800 0.092 0.000 2.776 191 G HA2 0.474 4.435 3.960 0.001 0.000 0.209 191 G HA3 0.474 4.435 3.960 0.001 0.000 0.209 191 G C 1.778 176.714 174.900 0.061 0.000 1.145 191 G CA 1.392 46.526 45.100 0.057 0.000 0.791 191 G HN 2.104 nan 8.290 nan 0.000 0.530 192 G N 0.701 109.552 108.800 0.085 0.000 2.591 192 G HA2 -0.381 3.579 3.960 0.001 0.000 0.298 192 G HA3 -0.381 3.579 3.960 0.001 0.000 0.298 192 G C 1.063 175.988 174.900 0.041 0.000 1.195 192 G CA 0.459 45.608 45.100 0.081 0.000 0.989 192 G HN 0.480 nan 8.290 nan 0.000 0.551 193 R N 1.907 122.421 120.500 0.023 0.000 2.313 193 R HA 0.359 4.699 4.340 0.001 0.000 0.199 193 R C 1.946 178.249 176.300 0.005 0.000 0.958 193 R CA 1.127 57.232 56.100 0.009 0.000 1.047 193 R CB -0.077 30.222 30.300 -0.003 0.000 0.955 193 R HN 1.951 nan 8.270 nan 0.000 0.481 194 G N -0.057 108.747 108.800 0.008 0.000 2.157 194 G HA2 -0.284 3.677 3.960 0.001 0.000 0.239 194 G HA3 -0.284 3.677 3.960 0.001 0.000 0.239 194 G C 0.867 175.763 174.900 -0.007 0.000 0.982 194 G CA 0.409 45.508 45.100 -0.002 0.000 0.650 194 G HN 0.321 nan 8.290 nan 0.000 0.527 195 S N -0.649 115.051 115.700 -0.001 0.000 2.359 195 S HA 0.001 4.471 4.470 0.001 0.000 0.224 195 S C 1.557 176.152 174.600 -0.008 0.000 1.035 195 S CA 1.322 59.522 58.200 -0.001 0.000 1.018 195 S CB -0.095 63.109 63.200 0.007 0.000 0.876 195 S HN 0.898 nan 8.310 nan 0.000 0.448 199 A N 0.282 123.083 122.820 -0.031 0.000 1.933 199 A HA 0.116 4.437 4.320 0.001 0.000 0.218 199 A C 2.027 179.594 177.584 -0.028 0.000 1.175 199 A CA 2.307 54.331 52.037 -0.020 0.000 0.628 199 A CB -0.765 18.231 19.000 -0.006 0.000 0.814 199 A HN 0.878 nan 8.150 nan 0.000 0.444 200 V N -0.088 119.775 119.914 -0.086 0.000 2.379 200 V HA -0.182 3.939 4.120 0.001 0.000 0.245 200 V C 2.509 178.569 176.094 -0.058 0.000 1.044 200 V CA 1.636 63.836 62.300 -0.167 0.000 1.036 200 V CB -0.702 30.834 31.823 -0.477 0.000 0.664 200 V HN 0.555 nan 8.190 nan 0.000 0.453 201 L N -0.165 121.017 121.223 -0.068 0.000 2.083 201 L HA -0.186 4.154 4.340 0.001 0.000 0.209 201 L C 2.356 179.228 176.870 0.004 0.000 1.083 201 L CA 1.475 56.301 54.840 -0.023 0.000 0.752 201 L CB -0.732 41.306 42.059 -0.036 0.000 0.899 201 L HN 0.332 nan 8.230 nan 0.000 0.433 202 D N 0.378 120.771 120.400 -0.013 0.000 2.097 202 D HA -0.169 4.472 4.640 0.001 0.000 0.195 202 D C 2.220 178.486 176.300 -0.057 0.000 0.989 202 D CA 1.630 55.614 54.000 -0.027 0.000 0.827 202 D CB -0.060 40.723 40.800 -0.027 0.000 0.966 202 D HN 0.298 nan 8.370 nan 0.000 0.456 203 A N -0.545 122.241 122.820 -0.057 0.000 2.067 203 A HA -0.034 4.286 4.320 0.001 0.000 0.219 203 A C 0.461 177.709 177.584 -0.561 0.000 1.158 203 A CA 0.633 52.525 52.037 -0.242 0.000 0.661 203 A CB -0.251 18.666 19.000 -0.139 0.000 0.801 203 A HN 0.165 nan 8.150 nan 0.000 0.452 204 F N -1.267 118.648 119.950 -0.058 0.000 2.552 204 F HA 0.365 4.893 4.527 0.001 0.000 0.369 204 F C -2.001 173.779 175.800 -0.033 0.000 1.112 204 F CA -1.956 56.026 58.000 -0.030 0.000 1.129 204 F CB 1.702 40.688 39.000 -0.023 0.000 1.360 204 F HN -0.040 nan 8.300 nan 0.000 0.473 205 P HA -0.124 nan 4.420 nan 0.000 0.216 205 P C 1.762 179.089 177.300 0.045 0.000 1.150 205 P CA 1.274 64.391 63.100 0.028 0.000 0.837 205 P CB 0.300 31.999 31.700 -0.002 0.000 0.786 206 G N -1.277 107.565 108.800 0.071 0.000 2.650 206 G HA2 -0.027 3.934 3.960 0.001 0.000 0.214 206 G HA3 -0.027 3.934 3.960 0.001 0.000 0.214 206 G C 0.375 175.304 174.900 0.048 0.000 1.136 206 G CA -0.110 45.023 45.100 0.055 0.000 0.789 206 G HN 0.195 nan 8.290 nan 0.000 0.536 207 L N 1.429 122.690 121.223 0.064 0.000 2.410 207 L HA 0.374 4.714 4.340 0.001 0.000 0.273 207 L C 0.246 177.114 176.870 -0.003 0.000 1.152 207 L CA -0.275 54.581 54.840 0.028 0.000 0.855 207 L CB 0.628 42.702 42.059 0.024 0.000 1.129 207 L HN 0.034 nan 8.230 nan 0.000 0.463 208 R N 4.010 124.498 120.500 -0.019 0.000 2.295 208 R HA 0.566 4.907 4.340 0.001 0.000 0.324 208 R C -0.016 176.253 176.300 -0.052 0.000 0.968 208 R CA -0.544 55.539 56.100 -0.029 0.000 0.837 208 R CB 1.365 31.651 30.300 -0.024 0.000 1.133 208 R HN 0.860 nan 8.270 nan 0.000 0.450 209 G N 0.759 109.527 108.800 -0.054 0.000 2.511 209 G HA2 0.518 4.479 3.960 0.001 0.000 0.316 209 G HA3 0.518 4.479 3.960 0.001 0.000 0.316 209 G C -0.777 174.088 174.900 -0.058 0.000 1.210 209 G CA -0.271 44.786 45.100 -0.070 0.000 0.969 209 G HN 0.398 nan 8.290 nan 0.000 0.492 210 T N 0.088 114.605 114.554 -0.062 0.000 3.071 210 T HA 0.381 4.732 4.350 0.001 0.000 0.311 210 T C -0.963 173.720 174.700 -0.028 0.000 1.042 210 T CA -0.341 61.736 62.100 -0.039 0.000 1.028 210 T CB 1.525 70.372 68.868 -0.035 0.000 1.068 210 T HN 0.450 nan 8.240 nan 0.000 0.451 211 L N 4.254 125.468 121.223 -0.015 0.000 2.298 211 L HA 0.694 5.034 4.340 0.001 0.000 0.284 211 L C -1.065 175.811 176.870 0.010 0.000 1.013 211 L CA -1.131 53.708 54.840 -0.002 0.000 0.824 211 L CB 0.892 42.947 42.059 -0.006 0.000 1.221 211 L HN 0.566 nan 8.230 nan 0.000 0.418 212 L N 5.314 126.555 121.223 0.030 0.000 2.265 212 L HA 0.576 4.917 4.340 0.001 0.000 0.288 212 L C -0.591 176.301 176.870 0.037 0.000 1.058 212 L CA 0.660 55.521 54.840 0.035 0.000 0.809 212 L CB 0.846 42.943 42.059 0.063 0.000 1.179 212 L HN 0.602 nan 8.230 nan 0.000 0.429 213 E N 3.340 123.535 120.200 -0.007 0.000 2.445 213 E HA 0.403 4.753 4.350 0.001 0.000 0.279 213 E C -1.019 175.528 176.600 -0.088 0.000 1.018 213 E CA -0.921 55.459 56.400 -0.034 0.000 0.816 213 E CB 1.865 31.563 29.700 -0.004 0.000 1.356 213 E HN 0.595 nan 8.360 nan 0.000 0.462 214 R N 1.235 121.662 120.500 -0.122 0.000 2.623 214 R HA 0.079 4.419 4.340 0.001 0.000 0.271 214 R C -1.619 174.627 176.300 -0.089 0.000 1.043 214 R CA -1.073 54.957 56.100 -0.117 0.000 1.083 214 R CB -0.127 30.102 30.300 -0.118 0.000 0.974 214 R HN 0.152 nan 8.270 nan 0.000 0.436 215 P HA -0.180 nan 4.420 nan 0.000 0.216 215 P C -1.365 175.877 177.300 -0.097 0.000 1.157 215 P CA 1.613 64.673 63.100 -0.067 0.000 0.880 215 P CB -0.631 31.049 31.700 -0.034 0.000 0.791 216 P HA -0.077 nan 4.420 nan 0.000 0.218 216 P C 1.428 178.672 177.300 -0.094 0.000 1.149 216 P CA 1.332 64.328 63.100 -0.174 0.000 0.817 216 P CB -0.326 31.173 31.700 -0.336 0.000 0.785 217 V N -0.115 119.754 119.914 -0.076 0.000 3.052 217 V HA 0.019 4.140 4.120 0.001 0.000 0.254 217 V C 2.736 178.820 176.094 -0.017 0.000 1.100 217 V CA 1.283 63.569 62.300 -0.023 0.000 1.112 217 V CB -1.288 30.543 31.823 0.013 0.000 0.738 217 V HN 0.058 nan 8.190 nan 0.000 0.469 218 A N 0.270 123.072 122.820 -0.030 0.000 1.858 218 A HA -0.199 4.121 4.320 0.001 0.000 0.216 218 A C 2.151 179.725 177.584 -0.016 0.000 1.190 218 A CA 1.676 53.701 52.037 -0.020 0.000 0.617 218 A CB -0.421 18.564 19.000 -0.025 0.000 0.827 218 A HN 0.469 nan 8.150 nan 0.000 0.443 219 E N 0.281 120.468 120.200 -0.021 0.000 2.160 219 E HA -0.203 4.147 4.350 0.001 0.000 0.195 219 E C 1.830 178.423 176.600 -0.011 0.000 0.991 219 E CA 1.438 57.828 56.400 -0.016 0.000 0.810 219 E CB -0.401 29.288 29.700 -0.018 0.000 0.742 219 E HN 0.802 nan 8.360 nan 0.000 0.466 220 E N 0.528 120.722 120.200 -0.010 0.000 2.107 220 E HA -0.052 4.299 4.350 0.001 0.000 0.191 220 E C 2.045 178.644 176.600 -0.002 0.000 0.982 220 E CA 0.828 57.226 56.400 -0.004 0.000 0.809 220 E CB -0.058 29.642 29.700 0.000 0.000 0.756 220 E HN 0.197 nan 8.360 nan 0.000 0.459 221 A N 1.782 124.600 122.820 -0.002 0.000 1.930 221 A HA -0.175 4.146 4.320 0.001 0.000 0.217 221 A C 2.109 179.690 177.584 -0.005 0.000 1.175 221 A CA 1.170 53.206 52.037 -0.002 0.000 0.627 221 A CB -0.398 18.602 19.000 0.000 0.000 0.815 221 A HN 0.061 nan 8.150 nan 0.000 0.443 222 R N -0.069 120.427 120.500 -0.006 0.000 2.082 222 R HA -0.226 4.114 4.340 0.001 0.000 0.234 222 R C 2.213 178.509 176.300 -0.006 0.000 1.136 222 R CA 2.029 58.125 56.100 -0.007 0.000 0.935 222 R CB -0.475 29.820 30.300 -0.007 0.000 0.842 222 R HN 0.701 nan 8.270 nan 0.000 0.430 223 E N 0.414 120.611 120.200 -0.004 0.000 2.068 223 E HA -0.291 4.059 4.350 0.001 0.000 0.207 223 E C 2.117 178.715 176.600 -0.003 0.000 1.032 223 E CA 2.063 58.461 56.400 -0.003 0.000 0.839 223 E CB -0.299 29.401 29.700 -0.001 0.000 0.758 223 E HN 0.445 nan 8.360 nan 0.000 0.457 224 L N 0.373 121.594 121.223 -0.003 0.000 2.046 224 L HA -0.168 4.173 4.340 0.001 0.000 0.208 224 L C 2.440 179.307 176.870 -0.006 0.000 1.077 224 L CA 1.097 55.935 54.840 -0.004 0.000 0.747 224 L CB -0.122 41.935 42.059 -0.003 0.000 0.896 224 L HN 0.260 nan 8.230 nan 0.000 0.432 225 L N -0.875 120.344 121.223 -0.007 0.000 2.056 225 L HA -0.189 4.151 4.340 0.001 0.000 0.207 225 L C 2.480 179.345 176.870 -0.009 0.000 1.078 225 L CA 1.671 56.505 54.840 -0.010 0.000 0.749 225 L CB -0.827 41.225 42.059 -0.012 0.000 0.901 225 L HN 0.287 nan 8.230 nan 0.000 0.433 226 T N -0.386 114.164 114.554 -0.007 0.000 2.746 226 T HA -0.139 4.212 4.350 0.001 0.000 0.267 226 T C 1.820 176.517 174.700 -0.005 0.000 1.039 226 T CA 1.355 63.452 62.100 -0.006 0.000 1.142 226 T CB -0.592 68.273 68.868 -0.005 0.000 0.866 226 T HN 0.554 nan 8.240 nan 0.000 0.444 227 G N 1.396 110.193 108.800 -0.004 0.000 2.479 227 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 227 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 227 G C 1.589 176.487 174.900 -0.004 0.000 1.115 227 G CA 0.304 45.402 45.100 -0.003 0.000 0.757 227 G HN 0.325 nan 8.290 nan 0.000 0.560 228 R N 0.043 120.539 120.500 -0.006 0.000 2.334 228 R HA 0.149 4.490 4.340 0.001 0.000 0.216 228 R C 1.592 177.887 176.300 -0.009 0.000 0.905 228 R CA 0.457 56.552 56.100 -0.008 0.000 1.064 228 R CB -0.177 30.118 30.300 -0.010 0.000 1.046 228 R HN 0.355 nan 8.270 nan 0.000 0.508 229 G N 1.686 110.481 108.800 -0.008 0.000 2.273 229 G HA2 -0.251 3.710 3.960 0.001 0.000 0.280 229 G HA3 -0.251 3.710 3.960 0.001 0.000 0.280 229 G C 0.467 175.361 174.900 -0.009 0.000 1.047 229 G CA 0.260 45.355 45.100 -0.008 0.000 0.869 229 G HN 0.373 nan 8.290 nan 0.000 0.502 230 L N -0.851 120.365 121.223 -0.011 0.000 2.766 230 L HA 0.386 4.726 4.340 0.001 0.000 0.242 230 L C 2.572 179.434 176.870 -0.012 0.000 1.136 230 L CA 0.549 55.382 54.840 -0.013 0.000 0.933 230 L CB 0.121 42.170 42.059 -0.016 0.000 1.241 230 L HN 0.310 nan 8.230 nan 0.000 0.522 231 A N 0.787 123.601 122.820 -0.010 0.000 2.186 231 A HA -0.209 4.111 4.320 0.001 0.000 0.219 231 A C 1.639 179.218 177.584 -0.009 0.000 1.159 231 A CA 1.863 53.895 52.037 -0.009 0.000 0.680 231 A CB -0.380 18.615 19.000 -0.007 0.000 0.787 231 A HN 0.584 nan 8.150 nan 0.000 0.467 232 D N -1.838 118.556 120.400 -0.009 0.000 2.369 232 D HA 0.040 4.680 4.640 0.001 0.000 0.211 232 D C 1.213 177.507 176.300 -0.010 0.000 1.077 232 D CA 0.045 54.040 54.000 -0.008 0.000 0.842 232 D CB -0.221 40.575 40.800 -0.006 0.000 0.947 232 D HN 0.465 nan 8.370 nan 0.000 0.509 233 R N -0.687 119.806 120.500 -0.012 0.000 2.508 233 R HA 0.314 4.654 4.340 0.001 0.000 0.300 233 R C -0.529 175.759 176.300 -0.021 0.000 0.970 233 R CA -0.157 55.935 56.100 -0.014 0.000 1.102 233 R CB 0.840 31.133 30.300 -0.013 0.000 1.246 233 R HN 0.090 nan 8.270 nan 0.000 0.539 234 C N 1.184 120.472 119.300 -0.020 0.000 2.817 234 C HA 0.263 4.723 4.460 0.001 0.000 0.385 234 C C -0.709 174.270 174.990 -0.019 0.000 1.050 234 C CA -0.729 58.275 59.018 -0.025 0.000 1.245 234 C CB 1.030 28.754 27.740 -0.028 0.000 1.706 234 C HN 0.400 nan 8.230 nan 0.000 0.488 235 E N 4.254 124.442 120.200 -0.019 0.000 2.354 235 E HA 0.353 4.703 4.350 0.001 0.000 0.269 235 E C -0.163 176.430 176.600 -0.013 0.000 1.036 235 E CA -0.209 56.183 56.400 -0.014 0.000 0.876 235 E CB 0.740 30.433 29.700 -0.012 0.000 1.009 235 E HN 0.525 nan 8.360 nan 0.000 0.416 236 I N 3.629 124.193 120.570 -0.010 0.000 2.353 236 I HA 0.182 4.353 4.170 0.001 0.000 0.293 236 I C -0.281 175.832 176.117 -0.008 0.000 0.992 236 I CA -0.611 60.683 61.300 -0.009 0.000 1.268 236 I CB 0.834 38.829 38.000 -0.009 0.000 1.387 236 I HN 0.357 nan 8.210 nan 0.000 0.478 237 L N 9.621 130.841 121.223 -0.006 0.000 2.401 237 L HA 0.587 4.927 4.340 0.001 0.000 0.263 237 L C -2.603 174.260 176.870 -0.013 0.000 1.004 237 L CA -1.750 53.087 54.840 -0.006 0.000 0.881 237 L CB 1.358 43.418 42.059 0.001 0.000 1.219 237 L HN 0.215 nan 8.230 nan 0.000 0.441 238 P HA 0.487 nan 4.420 nan 0.000 0.266 238 P C -0.050 177.232 177.300 -0.031 0.000 1.215 238 P CA 0.124 63.208 63.100 -0.026 0.000 0.763 238 P CB 0.964 32.652 31.700 -0.020 0.000 0.806 239 G N 1.713 110.481 108.800 -0.053 0.000 2.490 239 G HA2 0.464 4.424 3.960 0.001 0.000 0.308 239 G HA3 0.464 4.424 3.960 0.001 0.000 0.308 239 G C -2.066 172.754 174.900 -0.134 0.000 1.286 239 G CA -0.370 44.691 45.100 -0.065 0.000 0.825 239 G HN 0.430 nan 8.290 nan 0.000 0.479 240 D N -0.625 119.687 120.400 -0.148 0.000 2.686 240 D HA 0.409 5.050 4.640 0.001 0.000 0.249 240 D C 0.729 176.894 176.300 -0.224 0.000 1.260 240 D CA -0.920 52.919 54.000 -0.268 0.000 0.910 240 D CB 0.992 41.715 40.800 -0.127 0.000 1.323 240 D HN 0.277 nan 8.370 nan 0.000 0.561 241 F N 2.149 121.980 119.950 -0.200 0.000 2.773 241 F HA 0.214 4.742 4.527 0.001 0.000 0.299 241 F C 0.766 176.316 175.800 -0.418 0.000 1.204 241 F CA -0.361 57.453 58.000 -0.308 0.000 1.454 241 F CB -1.026 37.749 39.000 -0.375 0.000 1.117 241 F HN 0.131 nan 8.300 nan 0.000 0.590 242 F N 1.231 121.202 119.950 0.034 0.000 2.619 242 F HA 0.113 4.641 4.527 0.001 0.000 0.293 242 F C 2.186 177.964 175.800 -0.038 0.000 1.119 242 F CA 0.716 58.704 58.000 -0.020 0.000 1.445 242 F CB -0.156 38.789 39.000 -0.092 0.000 1.119 242 F HN 0.179 nan 8.300 nan 0.000 0.573 243 E N -0.757 119.509 120.200 0.110 0.000 2.152 243 E HA 0.111 4.462 4.350 0.001 0.000 0.195 243 E C 0.202 176.816 176.600 0.023 0.000 0.934 243 E CA 0.615 57.046 56.400 0.053 0.000 0.869 243 E CB -0.280 29.438 29.700 0.030 0.000 0.842 243 E HN 0.153 nan 8.360 nan 0.000 0.472 244 T N 0.174 114.735 114.554 0.012 0.000 2.841 244 T HA 0.627 4.978 4.350 0.001 0.000 0.285 244 T C -0.459 174.247 174.700 0.010 0.000 0.991 244 T CA -0.915 61.188 62.100 0.006 0.000 0.966 244 T CB 1.649 70.520 68.868 0.005 0.000 0.962 244 T HN 0.060 nan 8.240 nan 0.000 0.438 245 I N 3.579 124.150 120.570 0.002 0.000 2.436 245 I HA 0.397 4.568 4.170 0.001 0.000 0.289 245 I C -2.489 173.654 176.117 0.044 0.000 1.010 245 I CA -2.873 58.434 61.300 0.012 0.000 1.098 245 I CB 1.460 39.421 38.000 -0.065 0.000 1.266 245 I HN 0.473 nan 8.210 nan 0.000 0.434 246 P HA 0.127 nan 4.420 nan 0.000 0.266 246 P C -0.754 176.657 177.300 0.185 0.000 1.215 246 P CA -0.029 63.139 63.100 0.113 0.000 0.763 246 P CB 0.221 31.982 31.700 0.103 0.000 0.806 247 D N 1.415 121.887 120.400 0.119 0.000 2.294 247 D HA 0.486 5.127 4.640 0.001 0.000 0.250 247 D C 1.153 177.540 176.300 0.145 0.000 1.058 247 D CA -0.531 53.555 54.000 0.144 0.000 0.950 247 D CB 0.847 41.680 40.800 0.055 0.000 1.158 247 D HN 0.544 nan 8.370 nan 0.000 0.453 248 G N -0.387 108.518 108.800 0.176 0.000 2.238 248 G HA2 0.008 3.968 3.960 0.001 0.000 0.217 248 G HA3 0.008 3.968 3.960 0.001 0.000 0.217 248 G C 0.481 175.421 174.900 0.067 0.000 0.996 248 G CA 0.156 45.316 45.100 0.099 0.000 0.632 248 G HN 1.065 nan 8.290 nan 0.000 0.503 249 A N 0.515 123.356 122.820 0.035 0.000 2.466 249 A HA 0.501 4.822 4.320 0.001 0.000 0.238 249 A C 1.181 178.681 177.584 -0.140 0.000 1.074 249 A CA 1.017 52.920 52.037 -0.223 0.000 0.774 249 A CB 0.260 18.803 19.000 -0.761 0.000 1.015 249 A HN 0.172 nan 8.150 nan 0.000 0.498 250 D N -0.351 119.968 120.400 -0.135 0.000 2.249 250 D HA 0.111 4.751 4.640 0.001 0.000 0.205 250 D C -0.019 176.242 176.300 -0.064 0.000 0.962 250 D CA 1.257 55.225 54.000 -0.053 0.000 0.860 250 D CB 0.180 40.963 40.800 -0.028 0.000 0.955 250 D HN 0.215 nan 8.370 nan 0.000 0.505 251 V N 0.691 120.491 119.914 -0.191 0.000 2.777 251 V HA 0.274 4.394 4.120 0.001 0.000 0.306 251 V C -1.243 174.649 176.094 -0.337 0.000 1.112 251 V CA -0.979 61.231 62.300 -0.149 0.000 0.917 251 V CB 1.804 33.603 31.823 -0.041 0.000 1.018 251 V HN -0.102 nan 8.190 nan 0.000 0.426 252 Y N 4.234 124.490 120.300 -0.073 0.000 2.409 252 Y HA 0.821 5.371 4.550 0.001 0.000 0.339 252 Y C -0.379 175.455 175.900 -0.110 0.000 1.033 252 Y CA -0.875 57.176 58.100 -0.081 0.000 1.094 252 Y CB 1.987 40.394 38.460 -0.088 0.000 1.210 252 Y HN 0.457 nan 8.280 nan 0.000 0.456 253 L N 4.336 125.579 121.223 0.034 0.000 2.381 253 L HA 0.541 4.881 4.340 0.001 0.000 0.274 253 L C -1.044 175.794 176.870 -0.054 0.000 0.988 253 L CA -0.362 54.455 54.840 -0.040 0.000 0.824 253 L CB 2.112 44.144 42.059 -0.044 0.000 1.263 253 L HN 0.598 nan 8.230 nan 0.000 0.410 254 I N 3.228 123.734 120.570 -0.107 0.000 2.521 254 I HA 0.370 4.541 4.170 0.001 0.000 0.277 254 I C -0.801 175.224 176.117 -0.153 0.000 1.054 254 I CA -0.412 60.809 61.300 -0.131 0.000 1.117 254 I CB 0.659 38.550 38.000 -0.182 0.000 1.217 254 I HN 0.566 nan 8.210 nan 0.000 0.469 255 K N 6.110 126.437 120.400 -0.121 0.000 2.240 255 K HA 0.335 4.656 4.320 0.001 0.000 0.271 255 K C -0.056 176.477 176.600 -0.112 0.000 1.018 255 K CA -0.315 55.853 56.287 -0.198 0.000 0.874 255 K CB 0.390 32.778 32.500 -0.187 0.000 1.098 255 K HN 0.589 nan 8.250 nan 0.000 0.458 256 H N 1.487 120.473 119.070 -0.140 0.000 2.655 256 H HA -0.166 4.390 4.556 0.001 0.000 0.313 256 H C 0.526 175.831 175.328 -0.039 0.000 1.141 256 H CA 0.737 56.615 56.048 -0.282 0.000 1.138 256 H CB -1.647 28.119 29.762 0.006 0.000 1.446 256 H HN 0.364 nan 8.280 nan 0.000 0.415 257 V N -0.424 119.545 119.914 0.091 0.000 2.806 257 V HA -0.041 4.079 4.120 0.001 0.000 0.239 257 V C 2.543 178.886 176.094 0.415 0.000 1.113 257 V CA 0.939 63.401 62.300 0.270 0.000 1.137 257 V CB 0.028 31.894 31.823 0.070 0.000 0.865 257 V HN 0.272 nan 8.190 nan 0.000 0.482 258 L N 1.014 122.400 121.223 0.270 0.000 2.141 258 L HA -0.167 4.173 4.340 0.001 0.000 0.209 258 L C 2.477 179.668 176.870 0.534 0.000 1.094 258 L CA 2.011 57.114 54.840 0.439 0.000 0.763 258 L CB -1.021 41.263 42.059 0.375 0.000 0.908 258 L HN 0.664 nan 8.230 nan 0.000 0.437 259 H N -1.950 117.340 119.070 0.367 0.000 2.560 259 H HA -0.101 4.456 4.556 0.001 0.000 0.283 259 H C 0.860 176.259 175.328 0.118 0.000 1.028 259 H CA 0.458 56.649 56.048 0.239 0.000 1.221 259 H CB -0.173 29.729 29.762 0.233 0.000 1.363 259 H HN 0.325 nan 8.280 nan 0.000 0.594 260 D N 0.189 120.814 120.400 0.376 0.000 2.323 260 D HA 0.001 4.642 4.640 0.001 0.000 0.209 260 D C -0.266 175.750 176.300 -0.474 0.000 0.973 260 D CA 0.472 54.390 54.000 -0.135 0.000 0.874 260 D CB 0.120 40.815 40.800 -0.176 0.000 0.930 260 D HN 0.442 nan 8.370 nan 0.000 0.521 261 W N 1.532 122.980 121.300 0.246 0.000 2.799 261 W HA 0.232 4.893 4.660 0.001 0.000 0.349 261 W C 0.276 176.874 176.519 0.132 0.000 1.100 261 W CA -1.196 56.280 57.345 0.218 0.000 1.174 261 W CB 0.593 30.211 29.460 0.263 0.000 1.427 261 W HN -0.260 nan 8.180 nan 0.000 0.547 262 D N -0.210 120.398 120.400 0.347 0.000 2.384 262 D HA -0.023 4.617 4.640 0.001 0.000 0.244 262 D C 0.777 177.181 176.300 0.173 0.000 1.251 262 D CA 0.012 54.125 54.000 0.188 0.000 0.961 262 D CB 0.504 41.388 40.800 0.139 0.000 1.116 262 D HN 0.309 nan 8.370 nan 0.000 0.484 263 D N -0.550 119.903 120.400 0.089 0.000 2.133 263 D HA -0.151 4.490 4.640 0.001 0.000 0.195 263 D C 1.227 177.575 176.300 0.081 0.000 0.997 263 D CA 1.220 55.255 54.000 0.059 0.000 0.840 263 D CB -0.085 40.727 40.800 0.019 0.000 0.947 263 D HN 0.443 nan 8.370 nan 0.000 0.452 264 D N 0.227 120.680 120.400 0.089 0.000 2.162 264 D HA -0.083 4.557 4.640 0.001 0.000 0.203 264 D C 1.524 177.895 176.300 0.119 0.000 0.967 264 D CA 0.548 54.597 54.000 0.083 0.000 0.840 264 D CB -0.129 40.708 40.800 0.061 0.000 0.972 264 D HN 0.141 nan 8.370 nan 0.000 0.482 265 D N 0.538 121.049 120.400 0.185 0.000 2.144 265 D HA -0.089 4.551 4.640 0.001 0.000 0.199 265 D C 2.260 178.696 176.300 0.226 0.000 0.984 265 D CA 0.312 54.471 54.000 0.264 0.000 0.834 265 D CB 0.080 41.147 40.800 0.444 0.000 0.955 265 D HN 0.004 nan 8.370 nan 0.000 0.465 266 V N 0.553 120.591 119.914 0.207 0.000 2.332 266 V HA -0.211 3.910 4.120 0.001 0.000 0.248 266 V C 2.632 178.756 176.094 0.051 0.000 1.055 266 V CA 1.018 63.392 62.300 0.122 0.000 1.038 266 V CB -0.270 31.655 31.823 0.171 0.000 0.651 266 V HN 0.060 nan 8.190 nan 0.000 0.450 267 V N 0.069 120.023 119.914 0.067 0.000 2.358 267 V HA -0.192 3.928 4.120 0.001 0.000 0.246 267 V C 2.681 178.788 176.094 0.022 0.000 1.047 267 V CA 1.703 64.025 62.300 0.037 0.000 1.035 267 V CB -0.747 31.099 31.823 0.038 0.000 0.658 267 V HN 0.483 nan 8.190 nan 0.000 0.452 268 R N -0.094 120.442 120.500 0.061 0.000 2.105 268 R HA -0.092 4.248 4.340 0.001 0.000 0.239 268 R C 2.075 178.383 176.300 0.014 0.000 1.135 268 R CA 1.555 57.704 56.100 0.081 0.000 0.967 268 R CB -0.914 29.499 30.300 0.189 0.000 0.861 268 R HN 0.456 nan 8.270 nan 0.000 0.442 269 I N 0.728 121.245 120.570 -0.089 0.000 2.233 269 I HA -0.216 3.955 4.170 0.001 0.000 0.243 269 I C 2.328 178.316 176.117 -0.216 0.000 1.093 269 I CA 0.982 62.108 61.300 -0.290 0.000 1.380 269 I CB -0.217 37.438 38.000 -0.574 0.000 1.067 269 I HN 0.011 nan 8.210 nan 0.000 0.413 270 L N 0.032 121.168 121.223 -0.145 0.000 2.093 270 L HA -0.179 4.161 4.340 0.001 0.000 0.208 270 L C 2.701 179.507 176.870 -0.108 0.000 1.085 270 L CA 1.291 56.059 54.840 -0.120 0.000 0.755 270 L CB -0.564 41.460 42.059 -0.059 0.000 0.904 270 L HN 0.173 nan 8.230 nan 0.000 0.435 271 R N -0.349 120.106 120.500 -0.075 0.000 2.092 271 R HA -0.159 4.182 4.340 0.001 0.000 0.231 271 R C 2.446 178.696 176.300 -0.084 0.000 1.119 271 R CA 1.253 57.315 56.100 -0.063 0.000 0.970 271 R CB -0.224 30.057 30.300 -0.032 0.000 0.864 271 R HN 0.256 nan 8.270 nan 0.000 0.440 272 R N 0.914 121.358 120.500 -0.093 0.000 2.066 272 R HA -0.071 4.269 4.340 0.001 0.000 0.232 272 R C 2.168 178.371 176.300 -0.162 0.000 1.131 272 R CA 1.318 57.357 56.100 -0.100 0.000 0.955 272 R CB -0.216 30.035 30.300 -0.080 0.000 0.851 272 R HN 0.141 nan 8.270 nan 0.000 0.432 273 I N 1.007 121.446 120.570 -0.219 0.000 2.151 273 I HA -0.328 3.843 4.170 0.001 0.000 0.243 273 I C 2.592 178.512 176.117 -0.328 0.000 1.080 273 I CA 1.435 62.527 61.300 -0.346 0.000 1.339 273 I CB -0.512 37.283 38.000 -0.341 0.000 1.039 273 I HN 0.340 nan 8.210 nan 0.000 0.409 274 A N 1.019 123.715 122.820 -0.207 0.000 1.859 274 A HA -0.328 3.992 4.320 0.001 0.000 0.217 274 A C 2.471 179.978 177.584 -0.129 0.000 1.198 274 A CA 3.141 55.089 52.037 -0.149 0.000 0.629 274 A CB -1.513 17.429 19.000 -0.097 0.000 0.830 274 A HN 0.555 nan 8.150 nan 0.000 0.446 275 T N -1.700 112.789 114.554 -0.109 0.000 2.803 275 T HA 0.195 4.546 4.350 0.001 0.000 0.269 275 T C 1.052 175.700 174.700 -0.088 0.000 1.052 275 T CA 1.314 63.367 62.100 -0.079 0.000 1.136 275 T CB -0.794 68.039 68.868 -0.059 0.000 0.864 275 T HN 0.862 nan 8.240 nan 0.000 0.467 279 P HA -0.146 nan 4.420 nan 0.000 0.217 279 P C 0.416 177.722 177.300 0.011 0.000 1.151 279 P CA 1.340 64.445 63.100 0.008 0.000 0.828 279 P CB 0.051 31.754 31.700 0.005 0.000 0.788 280 D N -1.457 118.953 120.400 0.015 0.000 2.328 280 D HA 0.044 4.685 4.640 0.001 0.000 0.221 280 D C 0.261 176.576 176.300 0.025 0.000 1.072 280 D CA 0.029 54.038 54.000 0.015 0.000 0.850 280 D CB -0.432 40.375 40.800 0.011 0.000 0.922 280 D HN -0.059 nan 8.370 nan 0.000 0.516 281 S N 0.213 115.937 115.700 0.040 0.000 2.596 281 S HA 0.370 4.840 4.470 0.001 0.000 0.260 281 S C 0.278 174.910 174.600 0.053 0.000 1.336 281 S CA -0.252 57.989 58.200 0.069 0.000 0.993 281 S CB 0.793 64.070 63.200 0.129 0.000 0.923 281 S HN 0.186 nan 8.310 nan 0.000 0.567 282 R N 0.824 121.364 120.500 0.065 0.000 2.584 282 R HA 0.406 4.746 4.340 0.001 0.000 0.276 282 R C -1.542 174.771 176.300 0.021 0.000 1.046 282 R CA -0.725 55.387 56.100 0.021 0.000 0.906 282 R CB 1.310 31.610 30.300 0.002 0.000 1.215 282 R HN 0.481 nan 8.270 nan 0.000 0.449 283 L N 3.001 124.212 121.223 -0.020 0.000 2.322 283 L HA 0.557 4.898 4.340 0.001 0.000 0.279 283 L C -1.084 175.701 176.870 -0.142 0.000 1.036 283 L CA -0.303 54.514 54.840 -0.039 0.000 0.807 283 L CB 1.144 43.164 42.059 -0.065 0.000 1.226 283 L HN 0.532 nan 8.230 nan 0.000 0.433 284 L N 6.117 127.234 121.223 -0.177 0.000 2.294 284 L HA 0.474 4.815 4.340 0.001 0.000 0.283 284 L C -0.755 175.988 176.870 -0.212 0.000 1.015 284 L CA -0.912 53.782 54.840 -0.243 0.000 0.831 284 L CB 1.653 43.507 42.059 -0.341 0.000 1.217 284 L HN 0.343 nan 8.230 nan 0.000 0.420 285 V N 5.274 125.044 119.914 -0.241 0.000 2.406 285 V HA 0.343 4.464 4.120 0.001 0.000 0.272 285 V C 0.273 176.195 176.094 -0.287 0.000 1.043 285 V CA -0.055 62.063 62.300 -0.302 0.000 0.915 285 V CB 1.445 32.997 31.823 -0.450 0.000 0.988 285 V HN 0.498 nan 8.190 nan 0.000 0.466 286 I N 5.091 125.498 120.570 -0.272 0.000 2.382 286 I HA 0.619 4.790 4.170 0.001 0.000 0.286 286 I C -0.429 175.497 176.117 -0.319 0.000 1.002 286 I CA -0.058 61.088 61.300 -0.257 0.000 1.135 286 I CB 1.462 39.321 38.000 -0.236 0.000 1.288 286 I HN 0.539 nan 8.210 nan 0.000 0.448 287 D N 3.587 123.860 120.400 -0.212 0.000 2.725 287 D HA 0.176 4.817 4.640 0.001 0.000 0.292 287 D C -1.082 175.287 176.300 0.115 0.000 1.288 287 D CA -0.756 53.193 54.000 -0.085 0.000 0.784 287 D CB 1.612 42.373 40.800 -0.064 0.000 1.308 287 D HN 0.424 nan 8.370 nan 0.000 0.429 288 N N 0.689 119.558 118.700 0.280 0.000 2.400 288 N HA 0.201 4.942 4.740 0.001 0.000 0.267 288 N C -0.544 175.110 175.510 0.241 0.000 1.208 288 N CA -0.278 52.932 53.050 0.265 0.000 0.951 288 N CB 0.482 39.153 38.487 0.306 0.000 1.227 288 N HN 0.052 nan 8.380 nan 0.000 0.488 289 L N 4.582 125.914 121.223 0.181 0.000 2.261 289 L HA 0.292 4.633 4.340 0.001 0.000 0.289 289 L C 0.013 176.966 176.870 0.138 0.000 1.059 289 L CA -0.513 54.437 54.840 0.183 0.000 0.816 289 L CB 0.470 42.619 42.059 0.149 0.000 1.191 289 L HN 0.468 nan 8.230 nan 0.000 0.431 290 I N 4.077 124.725 120.570 0.131 0.000 2.815 290 I HA -0.006 4.165 4.170 0.001 0.000 0.291 290 I C 0.564 176.725 176.117 0.073 0.000 1.209 290 I CA 0.357 61.711 61.300 0.090 0.000 1.431 290 I CB 0.233 38.274 38.000 0.067 0.000 1.351 290 I HN 0.654 nan 8.210 nan 0.000 0.585 291 D N 5.027 125.462 120.400 0.059 0.000 2.689 291 D HA 0.259 4.899 4.640 0.001 0.000 0.255 291 D C -0.610 175.712 176.300 0.036 0.000 1.113 291 D CA -0.726 53.303 54.000 0.048 0.000 1.115 291 D CB 0.592 41.421 40.800 0.048 0.000 1.334 291 D HN 0.259 nan 8.370 nan 0.000 0.621 292 E N 0.185 120.403 120.200 0.031 0.000 2.299 292 E HA 0.116 4.467 4.350 0.001 0.000 0.272 292 E C -0.214 176.399 176.600 0.022 0.000 1.043 292 E CA 0.047 56.461 56.400 0.023 0.000 0.895 292 E CB 0.035 29.748 29.700 0.021 0.000 1.011 292 E HN 0.517 nan 8.360 nan 0.000 0.432 293 R N 2.411 122.921 120.500 0.017 0.000 2.994 293 R HA -0.111 4.230 4.340 0.001 0.000 0.267 293 R C -2.451 173.863 176.300 0.022 0.000 0.914 293 R CA -0.052 56.058 56.100 0.016 0.000 0.668 293 R CB -2.160 28.149 30.300 0.015 0.000 1.524 293 R HN 0.279 nan 8.270 nan 0.000 0.478 294 P HA 0.262 nan 4.420 nan 0.000 0.274 294 P C 0.051 177.372 177.300 0.036 0.000 1.231 294 P CA 0.191 63.311 63.100 0.034 0.000 0.790 294 P CB 0.854 32.574 31.700 0.033 0.000 0.951 295 A N 1.884 124.734 122.820 0.051 0.000 2.531 295 A HA 0.325 4.646 4.320 0.001 0.000 0.236 295 A C 1.753 179.380 177.584 0.072 0.000 1.062 295 A CA 0.350 52.424 52.037 0.062 0.000 0.760 295 A CB -0.457 18.586 19.000 0.072 0.000 0.995 295 A HN 0.641 nan 8.150 nan 0.000 0.501 296 A N 2.197 125.068 122.820 0.085 0.000 1.927 296 A HA -0.183 4.138 4.320 0.001 0.000 0.220 296 A C 2.451 180.179 177.584 0.240 0.000 1.185 296 A CA 2.760 54.867 52.037 0.118 0.000 0.639 296 A CB -1.235 17.875 19.000 0.182 0.000 0.820 296 A HN 1.713 nan 8.150 nan 0.000 0.451 297 S N -1.159 114.685 115.700 0.240 0.000 2.382 297 S HA -0.145 4.325 4.470 0.001 0.000 0.228 297 S C 1.812 176.537 174.600 0.209 0.000 1.027 297 S CA 1.804 60.160 58.200 0.260 0.000 0.991 297 S CB -1.187 62.101 63.200 0.147 0.000 0.823 297 S HN 0.520 nan 8.310 nan 0.000 0.469 298 T N 3.017 117.656 114.554 0.141 0.000 2.788 298 T HA 0.112 4.462 4.350 0.001 0.000 0.268 298 T C 1.666 176.424 174.700 0.096 0.000 1.044 298 T CA 1.351 63.520 62.100 0.115 0.000 1.139 298 T CB -0.473 68.451 68.868 0.092 0.000 0.867 298 T HN 0.330 nan 8.240 nan 0.000 0.454 299 L N -0.596 120.659 121.223 0.053 0.000 2.156 299 L HA 0.056 4.397 4.340 0.001 0.000 0.208 299 L C 2.201 179.042 176.870 -0.048 0.000 1.095 299 L CA 0.931 55.751 54.840 -0.033 0.000 0.770 299 L CB -0.519 41.468 42.059 -0.120 0.000 0.914 299 L HN 0.196 nan 8.230 nan 0.000 0.439 300 F N -0.224 119.763 119.950 0.062 0.000 2.171 300 F HA -0.188 4.339 4.527 0.001 0.000 0.300 300 F C 2.376 178.251 175.800 0.125 0.000 1.090 300 F CA 1.245 59.298 58.000 0.089 0.000 1.293 300 F CB -0.621 38.411 39.000 0.055 0.000 1.013 300 F HN -0.223 nan 8.300 nan 0.000 0.486 301 V N -0.176 119.895 119.914 0.261 0.000 2.358 301 V HA -0.301 3.819 4.120 0.001 0.000 0.246 301 V C 1.989 178.135 176.094 0.087 0.000 1.047 301 V CA 2.143 64.547 62.300 0.173 0.000 1.035 301 V CB -0.682 31.216 31.823 0.124 0.000 0.658 301 V HN 0.292 nan 8.190 nan 0.000 0.452 302 D N -0.244 120.193 120.400 0.062 0.000 2.178 302 D HA -0.195 4.445 4.640 0.001 0.000 0.201 302 D C 1.918 178.211 176.300 -0.012 0.000 0.980 302 D CA 0.952 54.955 54.000 0.004 0.000 0.842 302 D CB -0.049 40.754 40.800 0.005 0.000 0.948 302 D HN 0.289 nan 8.370 nan 0.000 0.472 303 L N 0.064 121.316 121.223 0.048 0.000 2.109 303 L HA 0.073 4.413 4.340 0.001 0.000 0.207 303 L C 1.942 178.806 176.870 -0.010 0.000 1.086 303 L CA 1.165 56.038 54.840 0.054 0.000 0.760 303 L CB -0.908 41.261 42.059 0.184 0.000 0.910 303 L HN 0.230 nan 8.230 nan 0.000 0.437 304 L N -0.911 120.392 121.223 0.134 0.000 2.083 304 L HA -0.184 4.157 4.340 0.001 0.000 0.209 304 L C 2.300 179.047 176.870 -0.205 0.000 1.083 304 L CA 1.740 56.599 54.840 0.030 0.000 0.752 304 L CB -0.513 41.697 42.059 0.252 0.000 0.899 304 L HN 0.274 nan 8.230 nan 0.000 0.433 305 L N -1.460 119.657 121.223 -0.177 0.000 2.017 305 L HA -0.229 4.112 4.340 0.001 0.000 0.208 305 L C 2.488 179.196 176.870 -0.270 0.000 1.073 305 L CA 1.163 55.847 54.840 -0.261 0.000 0.745 305 L CB -0.786 41.125 42.059 -0.247 0.000 0.894 305 L HN 0.354 nan 8.230 nan 0.000 0.432 306 L N -0.339 120.752 121.223 -0.220 0.000 1.971 306 L HA -0.212 4.128 4.340 0.001 0.000 0.215 306 L C 2.437 179.137 176.870 -0.283 0.000 1.072 306 L CA 1.824 56.537 54.840 -0.212 0.000 0.758 306 L CB -0.513 41.441 42.059 -0.175 0.000 0.889 306 L HN -0.080 nan 8.230 nan 0.000 0.433 307 V N -0.283 119.379 119.914 -0.420 0.000 2.233 307 V HA -0.347 3.773 4.120 0.001 0.000 0.247 307 V C 2.557 178.396 176.094 -0.424 0.000 1.050 307 V CA 2.344 64.313 62.300 -0.552 0.000 1.010 307 V CB -0.641 30.501 31.823 -1.135 0.000 0.637 307 V HN 0.471 nan 8.190 nan 0.000 0.444 308 L N 0.139 121.068 121.223 -0.490 0.000 1.988 308 L HA -0.092 4.249 4.340 0.001 0.000 0.207 308 L C 1.938 178.446 176.870 -0.604 0.000 1.071 308 L CA 1.965 56.460 54.840 -0.575 0.000 0.744 308 L CB -0.395 41.144 42.059 -0.867 0.000 0.893 308 L HN 0.479 nan 8.230 nan 0.000 0.433 309 V N -4.723 114.860 119.914 -0.551 0.000 3.346 309 V HA 0.504 4.624 4.120 0.001 0.000 0.309 309 V C 0.997 176.915 176.094 -0.293 0.000 1.457 309 V CA 0.108 62.111 62.300 -0.495 0.000 1.069 309 V CB -0.079 31.385 31.823 -0.598 0.000 0.944 309 V HN 0.510 nan 8.190 nan 0.000 0.449 310 G N 0.149 108.812 108.800 -0.229 0.000 2.221 310 G HA2 -0.100 3.860 3.960 0.001 0.000 0.265 310 G HA3 -0.100 3.860 3.960 0.001 0.000 0.265 310 G C 0.502 175.336 174.900 -0.109 0.000 1.041 310 G CA 0.483 45.502 45.100 -0.134 0.000 0.807 310 G HN 1.348 nan 8.290 nan 0.000 0.502 311 G N -1.325 107.383 108.800 -0.153 0.000 2.671 311 G HA2 1.039 5.000 3.960 0.001 0.000 0.275 311 G HA3 1.039 5.000 3.960 0.001 0.000 0.275 311 G C -0.152 174.702 174.900 -0.077 0.000 1.368 311 G CA 0.056 45.098 45.100 -0.097 0.000 1.044 311 G HN 1.777 nan 8.290 nan 0.000 0.543 312 A N -1.005 121.797 122.820 -0.030 0.000 2.594 312 A HA 0.636 4.956 4.320 0.001 0.000 0.296 312 A C -0.800 176.805 177.584 0.035 0.000 1.061 312 A CA -0.642 51.380 52.037 -0.025 0.000 0.689 312 A CB 1.381 20.360 19.000 -0.035 0.000 1.280 312 A HN 0.452 nan 8.150 nan 0.000 0.406 313 E N 0.853 121.079 120.200 0.043 0.000 2.374 313 E HA 0.502 4.853 4.350 0.001 0.000 0.260 313 E C -0.240 176.378 176.600 0.030 0.000 1.101 313 E CA 0.015 56.482 56.400 0.112 0.000 0.907 313 E CB 0.820 30.592 29.700 0.121 0.000 1.014 313 E HN 0.547 nan 8.360 nan 0.000 0.427 314 R N -0.037 120.486 120.500 0.038 0.000 2.808 314 R HA 0.316 4.656 4.340 0.001 0.000 0.272 314 R C -0.051 176.278 176.300 0.048 0.000 0.995 314 R CA -0.659 55.386 56.100 -0.093 0.000 0.917 314 R CB 1.808 31.785 30.300 -0.538 0.000 1.217 314 R HN 0.659 nan 8.270 nan 0.000 0.471 315 S N -0.408 115.304 115.700 0.020 0.000 2.617 315 S HA 0.012 4.483 4.470 0.001 0.000 0.259 315 S C 0.938 175.634 174.600 0.159 0.000 1.301 315 S CA -0.341 57.907 58.200 0.080 0.000 0.984 315 S CB 1.276 64.500 63.200 0.041 0.000 0.954 315 S HN 0.828 nan 8.310 nan 0.000 0.572 316 E N 0.220 120.511 120.200 0.151 0.000 2.208 316 E HA -0.069 4.282 4.350 0.001 0.000 0.193 316 E C 1.741 178.424 176.600 0.139 0.000 0.988 316 E CA 0.888 57.392 56.400 0.173 0.000 0.828 316 E CB -0.206 29.557 29.700 0.106 0.000 0.763 316 E HN 0.707 nan 8.360 nan 0.000 0.478 317 S N 0.786 116.538 115.700 0.086 0.000 2.368 317 S HA -0.128 4.343 4.470 0.001 0.000 0.224 317 S C 1.609 176.238 174.600 0.049 0.000 1.029 317 S CA 1.133 59.368 58.200 0.058 0.000 0.988 317 S CB -0.113 63.107 63.200 0.034 0.000 0.838 317 S HN 0.323 nan 8.310 nan 0.000 0.462 318 E N 0.147 120.359 120.200 0.020 0.000 2.152 318 E HA -0.038 4.312 4.350 0.001 0.000 0.192 318 E C 1.478 178.042 176.600 -0.059 0.000 0.983 318 E CA 0.797 57.168 56.400 -0.049 0.000 0.818 318 E CB -0.151 29.477 29.700 -0.120 0.000 0.758 318 E HN 0.388 nan 8.360 nan 0.000 0.467 319 F N 1.029 120.992 119.950 0.021 0.000 2.163 319 F HA -0.048 4.479 4.527 0.001 0.000 0.297 319 F C 2.374 178.177 175.800 0.005 0.000 1.094 319 F CA 0.948 58.957 58.000 0.015 0.000 1.290 319 F CB -0.745 38.263 39.000 0.012 0.000 1.017 319 F HN -0.019 nan 8.300 nan 0.000 0.483 320 A N 0.192 123.132 122.820 0.199 0.000 1.873 320 A HA -0.222 4.099 4.320 0.001 0.000 0.218 320 A C 2.459 180.087 177.584 0.074 0.000 1.193 320 A CA 2.402 54.503 52.037 0.106 0.000 0.629 320 A CB -1.473 17.571 19.000 0.073 0.000 0.826 320 A HN 0.338 nan 8.150 nan 0.000 0.447 321 A N -0.378 122.476 122.820 0.057 0.000 1.865 321 A HA -0.110 4.210 4.320 0.001 0.000 0.217 321 A C 2.192 179.799 177.584 0.038 0.000 1.191 321 A CA 1.660 53.717 52.037 0.034 0.000 0.623 321 A CB -0.769 18.241 19.000 0.017 0.000 0.826 321 A HN 0.506 nan 8.150 nan 0.000 0.444 322 L N -0.876 120.376 121.223 0.048 0.000 2.127 322 L HA -0.210 4.131 4.340 0.001 0.000 0.211 322 L C 2.532 179.441 176.870 0.065 0.000 1.089 322 L CA 1.047 55.920 54.840 0.055 0.000 0.757 322 L CB -0.528 41.569 42.059 0.065 0.000 0.899 322 L HN 0.387 nan 8.230 nan 0.000 0.434 323 L N -0.921 120.351 121.223 0.082 0.000 2.072 323 L HA -0.148 4.192 4.340 0.001 0.000 0.205 323 L C 2.547 179.430 176.870 0.023 0.000 1.079 323 L CA 0.740 55.611 54.840 0.051 0.000 0.752 323 L CB -0.341 41.748 42.059 0.050 0.000 0.906 323 L HN 0.110 nan 8.230 nan 0.000 0.436 324 E N 0.640 120.855 120.200 0.026 0.000 2.150 324 E HA -0.193 4.158 4.350 0.001 0.000 0.193 324 E C 2.015 178.621 176.600 0.010 0.000 0.985 324 E CA 1.171 57.579 56.400 0.014 0.000 0.814 324 E CB 0.014 29.723 29.700 0.015 0.000 0.752 324 E HN 0.196 nan 8.360 nan 0.000 0.466 325 K N -0.558 119.851 120.400 0.015 0.000 2.360 325 K HA -0.031 4.289 4.320 0.001 0.000 0.201 325 K C 1.253 177.857 176.600 0.006 0.000 1.046 325 K CA 1.208 57.502 56.287 0.011 0.000 0.945 325 K CB 0.109 32.618 32.500 0.016 0.000 0.750 325 K HN 0.125 nan 8.250 nan 0.000 0.464 326 S N -1.480 114.222 115.700 0.003 0.000 2.578 326 S HA 0.228 4.698 4.470 0.001 0.000 0.231 326 S C 0.786 175.375 174.600 -0.018 0.000 0.994 326 S CA -0.084 58.111 58.200 -0.009 0.000 0.956 326 S CB 0.978 64.169 63.200 -0.015 0.000 0.870 326 S HN 0.276 nan 8.310 nan 0.000 0.494 327 G N 1.352 110.145 108.800 -0.012 0.000 2.289 327 G HA2 -0.185 3.775 3.960 0.001 0.000 0.280 327 G HA3 -0.185 3.775 3.960 0.001 0.000 0.280 327 G C -0.410 174.478 174.900 -0.021 0.000 1.089 327 G CA 0.247 45.338 45.100 -0.015 0.000 0.939 327 G HN 0.566 nan 8.290 nan 0.000 0.499 328 L N -1.311 119.902 121.223 -0.017 0.000 2.371 328 L HA 0.755 5.096 4.340 0.001 0.000 0.262 328 L C 0.307 177.170 176.870 -0.012 0.000 1.006 328 L CA -1.258 53.569 54.840 -0.023 0.000 0.818 328 L CB 2.404 44.441 42.059 -0.036 0.000 1.354 328 L HN 0.229 nan 8.230 nan 0.000 0.415 329 R N 1.465 121.957 120.500 -0.014 0.000 2.409 329 R HA 0.556 4.897 4.340 0.001 0.000 0.313 329 R C -1.201 175.093 176.300 -0.011 0.000 0.953 329 R CA -0.586 55.509 56.100 -0.007 0.000 0.849 329 R CB 1.801 32.097 30.300 -0.006 0.000 1.171 329 R HN 0.440 nan 8.270 nan 0.000 0.458 330 V N 4.244 124.155 119.914 -0.005 0.000 2.694 330 V HA -0.075 4.046 4.120 0.001 0.000 0.306 330 V C 1.193 177.283 176.094 -0.007 0.000 1.054 330 V CA 1.061 63.355 62.300 -0.009 0.000 1.161 330 V CB 1.255 33.081 31.823 0.004 0.000 0.916 330 V HN 0.978 nan 8.190 nan 0.000 0.490 331 E N 4.046 124.239 120.200 -0.011 0.000 2.399 331 E HA 0.277 4.628 4.350 0.001 0.000 0.206 331 E C 0.687 177.286 176.600 -0.001 0.000 0.812 331 E CA -0.175 56.223 56.400 -0.005 0.000 1.138 331 E CB 0.759 30.456 29.700 -0.004 0.000 1.140 331 E HN 0.736 nan 8.360 nan 0.000 0.536 332 R N -0.773 119.726 120.500 -0.002 0.000 2.741 332 R HA 0.410 4.751 4.340 0.001 0.000 0.274 332 R C -1.772 174.528 176.300 -0.001 0.000 1.029 332 R CA -0.193 55.908 56.100 0.003 0.000 0.880 332 R CB 2.030 32.336 30.300 0.010 0.000 1.264 332 R HN 0.088 nan 8.270 nan 0.000 0.465 333 S N 0.599 116.301 115.700 0.005 0.000 2.689 333 S HA 0.534 5.005 4.470 0.001 0.000 0.274 333 S C -1.460 173.147 174.600 0.012 0.000 1.176 333 S CA -0.880 57.321 58.200 0.001 0.000 1.014 333 S CB 0.899 64.100 63.200 0.001 0.000 1.071 333 S HN 0.235 nan 8.310 nan 0.000 0.478 334 L N 3.232 124.465 121.223 0.017 0.000 2.325 334 L HA 0.657 4.997 4.340 0.001 0.000 0.279 334 L C -2.331 174.555 176.870 0.028 0.000 1.054 334 L CA -1.840 53.017 54.840 0.029 0.000 0.804 334 L CB 0.331 42.420 42.059 0.050 0.000 1.200 334 L HN 0.429 nan 8.230 nan 0.000 0.436 335 P HA 0.210 nan 4.420 nan 0.000 0.269 335 P C -0.861 176.463 177.300 0.039 0.000 1.209 335 P CA -0.422 62.698 63.100 0.033 0.000 0.776 335 P CB 0.812 32.531 31.700 0.032 0.000 0.876 336 C N 1.427 120.752 119.300 0.042 0.000 3.283 336 C HA 0.601 5.061 4.460 0.001 0.000 0.359 336 C C 1.353 176.374 174.990 0.052 0.000 1.160 336 C CA 0.952 59.998 59.018 0.047 0.000 1.232 336 C CB 0.426 28.190 27.740 0.040 0.000 1.571 336 C HN 0.891 nan 8.230 nan 0.000 0.522 337 G N 2.720 111.553 108.800 0.056 0.000 2.302 337 G HA2 0.004 3.964 3.960 0.001 0.000 0.263 337 G HA3 0.004 3.964 3.960 0.001 0.000 0.263 337 G C 1.212 176.147 174.900 0.059 0.000 0.995 337 G CA 1.556 46.694 45.100 0.063 0.000 0.622 337 G HN 2.896 nan 8.290 nan 0.000 0.538 338 A N -1.901 120.951 122.820 0.053 0.000 2.861 338 A HA 0.275 4.596 4.320 0.001 0.000 0.261 338 A C 2.071 179.688 177.584 0.055 0.000 1.351 338 A CA 2.436 54.503 52.037 0.049 0.000 0.904 338 A CB -1.460 17.565 19.000 0.043 0.000 1.076 338 A HN 2.626 nan 8.150 nan 0.000 0.729 339 G N -2.029 106.810 108.800 0.065 0.000 3.247 339 G HA2 0.617 4.578 3.960 0.001 0.000 0.226 339 G HA3 0.617 4.578 3.960 0.001 0.000 0.226 339 G C -1.384 173.565 174.900 0.082 0.000 1.220 339 G CA 0.009 45.154 45.100 0.074 0.000 0.875 339 G HN 0.117 nan 8.290 nan 0.000 0.606 340 P HA 0.120 nan 4.420 nan 0.000 0.225 340 P C 0.625 177.996 177.300 0.119 0.000 1.156 340 P CA 0.060 63.225 63.100 0.108 0.000 0.787 340 P CB 0.058 31.833 31.700 0.125 0.000 0.802 341 V N 1.365 121.358 119.914 0.131 0.000 2.763 341 V HA 0.013 4.133 4.120 0.001 0.000 0.306 341 V C 0.821 176.954 176.094 0.065 0.000 1.059 341 V CA 0.577 62.949 62.300 0.120 0.000 1.138 341 V CB -0.138 31.761 31.823 0.128 0.000 0.940 341 V HN 0.119 nan 8.190 nan 0.000 0.489 342 R N 3.168 123.687 120.500 0.031 0.000 2.668 342 R HA 0.555 4.895 4.340 0.001 0.000 0.272 342 R C -1.656 174.620 176.300 -0.040 0.000 1.019 342 R CA -0.971 55.133 56.100 0.008 0.000 0.894 342 R CB 2.103 32.416 30.300 0.022 0.000 1.228 342 R HN 0.482 nan 8.270 nan 0.000 0.460 343 I N 1.765 122.313 120.570 -0.038 0.000 2.365 343 I HA 0.213 4.384 4.170 0.001 0.000 0.291 343 I C -0.337 175.734 176.117 -0.077 0.000 1.004 343 I CA -0.306 60.949 61.300 -0.075 0.000 1.311 343 I CB 1.818 39.790 38.000 -0.047 0.000 1.401 343 I HN 0.225 nan 8.210 nan 0.000 0.491 344 V N 6.280 126.117 119.914 -0.129 0.000 2.325 344 V HA 0.240 4.361 4.120 0.001 0.000 0.280 344 V C 0.083 176.098 176.094 -0.131 0.000 1.016 344 V CA -0.832 61.398 62.300 -0.118 0.000 0.818 344 V CB 1.067 32.792 31.823 -0.162 0.000 1.019 344 V HN 0.714 nan 8.190 nan 0.000 0.434 345 E N 4.753 124.902 120.200 -0.085 0.000 2.324 345 E HA 0.448 4.799 4.350 0.001 0.000 0.271 345 E C -1.062 175.499 176.600 -0.065 0.000 1.028 345 E CA -0.076 56.274 56.400 -0.083 0.000 0.890 345 E CB 0.722 30.436 29.700 0.023 0.000 1.004 345 E HN 0.615 nan 8.360 nan 0.000 0.431 346 I N 4.095 124.617 120.570 -0.080 0.000 2.828 346 I HA 0.460 4.631 4.170 0.001 0.000 0.302 346 I C -0.579 175.513 176.117 -0.042 0.000 1.101 346 I CA -0.875 60.389 61.300 -0.060 0.000 1.031 346 I CB 2.107 40.058 38.000 -0.082 0.000 1.231 346 I HN 0.550 nan 8.210 nan 0.000 0.427 347 R N 3.157 123.640 120.500 -0.029 0.000 2.771 347 R HA 0.623 4.963 4.340 0.001 0.000 0.274 347 R C -0.704 175.582 176.300 -0.023 0.000 0.987 347 R CA -1.048 55.041 56.100 -0.019 0.000 0.908 347 R CB 1.445 31.739 30.300 -0.009 0.000 1.213 347 R HN 0.456 nan 8.270 nan 0.000 0.468 348 R N 1.492 121.979 120.500 -0.022 0.000 2.697 348 R HA 0.198 4.539 4.340 0.001 0.000 0.265 348 R C 0.013 176.301 176.300 -0.020 0.000 1.009 348 R CA 1.312 57.396 56.100 -0.028 0.000 1.099 348 R CB 0.259 30.544 30.300 -0.025 0.000 0.965 348 R HN 0.918 nan 8.270 nan 0.000 0.428 349 A N 0.000 122.808 122.820 -0.021 0.000 2.254 349 A HA 0.000 4.321 4.320 0.001 0.000 0.244 349 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 349 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486