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 3agj_1_H DATA FIRST_RESID -1 DATA SEQUENCE SHMRVEVLDN KRRIVRLRPE SEEDLWLLRI TLRPGDVVRK RTSRDVPVGS DATA SEQUENCE GRKERVVMTL RIRLDSIEFQ PFTGKLRISG IVVEGPDEFG VKGRRHSTAV DATA SEQUENCE SIGTWLVVER DKGWSEQELE RLAAGRARGT AVIAAVDYDE FALAVLAGHG DATA SEQUENCE MKILEDTSAR LPGKDDPSRE QEVEKYVDRA AKRIVEEAAR HRSPIAVIAG DATA SEQUENCE PGQLKTSVAE KVQRAMPSLK VATVDTSMGG VAGVREALRR ESVTRILREL DATA SEQUENCE SIVEAEGVLE EFLRRIAKSR DTVAYTPGEV LAVARMGAVD TVLLVDTLLH DATA SEQUENCE SPDDAVREAV DEALRLVESM GGRVIIIPGD SPAGERLVSF GGVIALLRYP DATA SEQUENCE VPQEAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.590 174.600 -0.017 0.000 1.055 -1 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 -1 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 0 H N 0.834 119.889 119.070 -0.026 0.000 2.645 0 H HA 0.873 5.429 4.556 -0.001 0.000 0.308 0 H C -0.059 175.235 175.328 -0.056 0.000 1.495 0 H CA -0.327 55.701 56.048 -0.034 0.000 1.518 0 H CB 0.626 30.369 29.762 -0.031 0.000 1.752 0 H HN 0.610 nan 8.280 nan 0.000 0.797 1 M N 2.080 121.639 119.600 -0.068 0.000 2.047 1 M HA 0.315 4.795 4.480 -0.001 0.000 0.342 1 M C -0.058 176.183 176.300 -0.098 0.000 1.058 1 M CA -0.614 54.627 55.300 -0.098 0.000 0.991 1 M CB 0.585 33.122 32.600 -0.106 0.000 1.474 1 M HN 0.687 nan 8.290 nan 0.000 0.419 2 R N 3.649 124.083 120.500 -0.110 0.000 2.486 2 R HA 0.155 4.494 4.340 -0.001 0.000 0.303 2 R C -1.305 174.959 176.300 -0.059 0.000 0.958 2 R CA 0.375 56.434 56.100 -0.069 0.000 1.077 2 R CB 0.152 30.417 30.300 -0.058 0.000 0.921 2 R HN 0.646 nan 8.270 nan 0.000 0.406 3 V N 3.295 123.182 119.914 -0.044 0.000 2.876 3 V HA 0.583 4.702 4.120 -0.001 0.000 0.312 3 V C -1.627 174.446 176.094 -0.035 0.000 1.085 3 V CA -0.648 61.615 62.300 -0.061 0.000 0.945 3 V CB 2.415 34.162 31.823 -0.127 0.000 1.017 3 V HN 0.890 nan 8.190 nan 0.000 0.428 4 E N 4.376 124.554 120.200 -0.037 0.000 2.334 4 E HA 0.444 4.794 4.350 -0.001 0.000 0.280 4 E C -1.107 175.470 176.600 -0.039 0.000 0.899 4 E CA -0.704 55.682 56.400 -0.023 0.000 0.813 4 E CB 1.918 31.626 29.700 0.013 0.000 1.318 4 E HN 0.620 nan 8.360 nan 0.000 0.399 5 V N 4.086 123.974 119.914 -0.044 0.000 2.694 5 V HA -0.078 4.042 4.120 -0.001 0.000 0.306 5 V C 1.082 177.179 176.094 0.005 0.000 1.054 5 V CA 0.596 62.884 62.300 -0.020 0.000 1.161 5 V CB 0.181 32.011 31.823 0.012 0.000 0.916 5 V HN 0.785 nan 8.190 nan 0.000 0.490 6 L N 2.543 123.778 121.223 0.020 0.000 2.556 6 L HA 0.266 4.606 4.340 -0.001 0.000 0.226 6 L C 0.461 177.347 176.870 0.026 0.000 1.089 6 L CA 0.173 55.024 54.840 0.019 0.000 0.864 6 L CB 0.115 42.184 42.059 0.017 0.000 1.067 6 L HN 0.861 nan 8.230 nan 0.000 0.477 7 D N -2.388 118.037 120.400 0.042 0.000 2.523 7 D HA 0.110 4.750 4.640 -0.001 0.000 0.236 7 D C -0.034 176.290 176.300 0.041 0.000 1.094 7 D CA -0.692 53.331 54.000 0.039 0.000 0.942 7 D CB 0.724 41.549 40.800 0.043 0.000 1.447 7 D HN -0.225 nan 8.370 nan 0.000 0.479 8 N N -0.216 118.502 118.700 0.031 0.000 2.457 8 N HA -0.021 4.718 4.740 -0.001 0.000 0.180 8 N C 0.877 176.406 175.510 0.032 0.000 1.050 8 N CA 0.548 53.615 53.050 0.028 0.000 0.906 8 N CB 0.057 38.555 38.487 0.019 0.000 0.968 8 N HN 0.380 nan 8.380 nan 0.000 0.445 9 K N 0.190 120.612 120.400 0.036 0.000 2.487 9 K HA 0.189 4.509 4.320 -0.001 0.000 0.192 9 K C -0.017 176.615 176.600 0.054 0.000 1.027 9 K CA -0.043 56.264 56.287 0.034 0.000 1.054 9 K CB 0.324 32.839 32.500 0.025 0.000 0.824 9 K HN -0.117 nan 8.250 nan 0.000 0.510 10 R N -0.076 120.473 120.500 0.082 0.000 3.656 10 R HA -0.171 4.169 4.340 -0.001 0.000 0.297 10 R C 0.252 176.686 176.300 0.224 0.000 1.166 10 R CA 0.579 56.761 56.100 0.135 0.000 0.799 10 R CB -1.732 28.631 30.300 0.106 0.000 1.285 10 R HN 0.255 nan 8.270 nan 0.000 0.477 11 R N -1.096 119.526 120.500 0.203 0.000 2.279 11 R HA 0.299 4.639 4.340 -0.001 0.000 0.195 11 R C -0.084 176.451 176.300 0.392 0.000 0.905 11 R CA 0.328 56.544 56.100 0.194 0.000 1.044 11 R CB 0.588 30.924 30.300 0.060 0.000 1.056 11 R HN -0.010 nan 8.270 nan 0.000 0.535 12 I N 1.027 121.787 120.570 0.316 0.000 2.378 12 I HA 0.208 4.377 4.170 -0.001 0.000 0.291 12 I C -0.705 175.480 176.117 0.114 0.000 0.992 12 I CA -0.684 60.767 61.300 0.252 0.000 1.154 12 I CB 2.114 40.191 38.000 0.129 0.000 1.315 12 I HN -0.293 nan 8.210 nan 0.000 0.448 13 V N 6.278 126.182 119.914 -0.018 0.000 2.604 13 V HA 0.573 4.693 4.120 -0.001 0.000 0.305 13 V C -0.098 175.936 176.094 -0.100 0.000 1.043 13 V CA -0.930 61.237 62.300 -0.222 0.000 0.888 13 V CB 1.994 33.411 31.823 -0.676 0.000 0.995 13 V HN 0.677 nan 8.190 nan 0.000 0.429 14 R N 4.818 125.293 120.500 -0.042 0.000 2.460 14 R HA 0.858 5.198 4.340 -0.001 0.000 0.303 14 R C -1.497 174.841 176.300 0.065 0.000 0.968 14 R CA -0.470 55.665 56.100 0.059 0.000 0.889 14 R CB 1.265 31.633 30.300 0.114 0.000 1.123 14 R HN 0.811 nan 8.270 nan 0.000 0.455 15 L N 1.008 122.284 121.223 0.087 0.000 2.415 15 L HA 0.670 5.010 4.340 -0.001 0.000 0.256 15 L C -0.948 175.854 176.870 -0.114 0.000 1.010 15 L CA -1.281 53.544 54.840 -0.025 0.000 0.826 15 L CB 2.265 44.254 42.059 -0.117 0.000 1.405 15 L HN 0.646 nan 8.230 nan 0.000 0.410 16 R N 1.704 122.009 120.500 -0.325 0.000 2.521 16 R HA 0.471 4.811 4.340 -0.001 0.000 0.295 16 R C -2.799 173.286 176.300 -0.358 0.000 1.183 16 R CA -1.467 54.295 56.100 -0.563 0.000 0.957 16 R CB 2.063 31.568 30.300 -1.325 0.000 1.171 16 R HN 0.396 nan 8.270 nan 0.000 0.494 17 P HA 0.014 nan 4.420 nan 0.000 0.264 17 P C -0.344 176.863 177.300 -0.154 0.000 1.193 17 P CA 0.239 63.245 63.100 -0.157 0.000 0.763 17 P CB 0.810 32.448 31.700 -0.104 0.000 0.810 18 E N 0.423 120.553 120.200 -0.117 0.000 2.511 18 E HA 0.101 4.450 4.350 -0.001 0.000 0.209 18 E C 0.267 176.839 176.600 -0.046 0.000 0.986 18 E CA 0.252 56.595 56.400 -0.094 0.000 0.974 18 E CB 0.580 30.224 29.700 -0.094 0.000 1.030 18 E HN 0.533 nan 8.360 nan 0.000 0.490 19 S N -0.777 114.906 115.700 -0.029 0.000 2.638 19 S HA 0.240 4.709 4.470 -0.001 0.000 0.274 19 S C 0.531 175.148 174.600 0.028 0.000 1.157 19 S CA -0.819 57.386 58.200 0.008 0.000 0.826 19 S CB 2.267 65.478 63.200 0.018 0.000 1.139 19 S HN -0.013 nan 8.310 nan 0.000 0.474 20 E N 0.522 120.764 120.200 0.070 0.000 2.153 20 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 20 E C 1.370 177.987 176.600 0.028 0.000 0.988 20 E CA 1.524 57.987 56.400 0.106 0.000 0.811 20 E CB -0.029 29.771 29.700 0.168 0.000 0.746 20 E HN 0.720 nan 8.360 nan 0.000 0.466 21 E N 0.536 120.768 120.200 0.054 0.000 2.208 21 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 21 E C 1.294 177.888 176.600 -0.010 0.000 0.988 21 E CA 0.650 57.068 56.400 0.029 0.000 0.828 21 E CB -0.221 29.562 29.700 0.137 0.000 0.763 21 E HN 0.247 nan 8.360 nan 0.000 0.478 22 D N 1.331 121.715 120.400 -0.027 0.000 2.144 22 D HA -0.046 4.593 4.640 -0.001 0.000 0.200 22 D C 2.196 178.430 176.300 -0.110 0.000 0.978 22 D CA 0.628 54.589 54.000 -0.065 0.000 0.833 22 D CB -0.118 40.642 40.800 -0.065 0.000 0.961 22 D HN 0.191 nan 8.370 nan 0.000 0.470 23 L N -0.265 120.896 121.223 -0.104 0.000 2.093 23 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 23 L C 2.515 179.115 176.870 -0.449 0.000 1.085 23 L CA 0.769 55.525 54.840 -0.141 0.000 0.755 23 L CB -0.364 41.745 42.059 0.084 0.000 0.904 23 L HN 0.274 nan 8.230 nan 0.000 0.435 24 W N 0.725 121.493 121.300 -0.888 0.000 2.358 24 W HA -0.251 4.409 4.660 -0.000 0.000 0.303 24 W C 2.140 178.347 176.519 -0.520 0.000 1.208 24 W CA 0.790 57.492 57.345 -1.073 0.000 1.274 24 W CB 0.031 28.896 29.460 -0.991 0.000 1.138 24 W HN 0.107 nan 8.180 nan 0.000 0.515 25 L N 1.113 122.141 121.223 -0.325 0.000 2.079 25 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 25 L C 2.572 179.263 176.870 -0.298 0.000 1.081 25 L CA 1.641 56.298 54.840 -0.305 0.000 0.752 25 L CB -1.542 40.424 42.059 -0.154 0.000 0.896 25 L HN 0.045 nan 8.230 nan 0.000 0.433 26 L N -1.414 119.656 121.223 -0.254 0.000 2.093 26 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 26 L C 2.685 179.448 176.870 -0.177 0.000 1.085 26 L CA 0.814 55.553 54.840 -0.169 0.000 0.755 26 L CB -0.345 41.646 42.059 -0.114 0.000 0.904 26 L HN 0.234 nan 8.230 nan 0.000 0.435 27 R N 1.513 121.822 120.500 -0.318 0.000 2.081 27 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 27 R C 2.009 178.184 176.300 -0.208 0.000 1.131 27 R CA 1.731 57.664 56.100 -0.278 0.000 0.960 27 R CB -0.630 29.409 30.300 -0.435 0.000 0.856 27 R HN 0.563 nan 8.270 nan 0.000 0.436 28 I N -2.736 117.559 120.570 -0.458 0.000 3.578 28 I HA 0.127 4.297 4.170 -0.001 0.000 0.295 28 I C 0.370 176.364 176.117 -0.206 0.000 1.280 28 I CA 0.906 61.976 61.300 -0.382 0.000 1.347 28 I CB 0.050 37.670 38.000 -0.634 0.000 1.051 28 I HN -0.018 nan 8.210 nan 0.000 0.460 29 T N 1.448 115.918 114.554 -0.141 0.000 3.111 29 T HA 0.332 4.682 4.350 -0.001 0.000 0.236 29 T C 0.951 175.666 174.700 0.025 0.000 0.984 29 T CA -0.119 61.956 62.100 -0.042 0.000 1.195 29 T CB -0.024 68.840 68.868 -0.008 0.000 0.929 29 T HN 0.096 nan 8.240 nan 0.000 0.431 30 L N 1.970 123.229 121.223 0.061 0.000 2.516 30 L HA 0.290 4.630 4.340 -0.001 0.000 0.288 30 L C 0.409 177.306 176.870 0.045 0.000 1.246 30 L CA 0.157 55.062 54.840 0.109 0.000 0.844 30 L CB 0.151 42.280 42.059 0.117 0.000 1.106 30 L HN 0.119 nan 8.230 nan 0.000 0.509 31 R N 1.956 122.469 120.500 0.022 0.000 2.808 31 R HA 0.469 4.808 4.340 -0.001 0.000 0.272 31 R C -2.705 173.596 176.300 0.002 0.000 0.995 31 R CA -1.740 54.327 56.100 -0.053 0.000 0.917 31 R CB 1.888 32.119 30.300 -0.116 0.000 1.217 31 R HN 0.179 nan 8.270 nan 0.000 0.471 32 P HA 0.205 nan 4.420 nan 0.000 0.271 32 P C -0.036 177.258 177.300 -0.011 0.000 1.233 32 P CA 0.527 63.639 63.100 0.020 0.000 0.764 32 P CB 1.075 32.791 31.700 0.027 0.000 0.825 33 G N 2.641 111.439 108.800 -0.004 0.000 2.617 33 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.197 33 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.197 33 G C -0.094 174.792 174.900 -0.023 0.000 1.017 33 G CA -0.517 44.570 45.100 -0.022 0.000 0.713 33 G HN 0.457 nan 8.290 nan 0.000 0.481 34 D N 0.511 120.901 120.400 -0.018 0.000 2.443 34 D HA 0.390 5.030 4.640 -0.001 0.000 0.234 34 D C 0.290 176.616 176.300 0.043 0.000 1.172 34 D CA 0.612 54.618 54.000 0.010 0.000 0.878 34 D CB 1.644 42.483 40.800 0.065 0.000 1.204 34 D HN 0.250 nan 8.370 nan 0.000 0.453 35 V N 2.638 122.590 119.914 0.064 0.000 2.325 35 V HA 0.166 4.285 4.120 -0.001 0.000 0.280 35 V C 0.051 176.196 176.094 0.085 0.000 1.016 35 V CA -0.858 61.479 62.300 0.061 0.000 0.818 35 V CB 1.435 33.284 31.823 0.043 0.000 1.019 35 V HN 0.395 nan 8.190 nan 0.000 0.434 36 V N 3.062 123.025 119.914 0.081 0.000 2.546 36 V HA 0.625 4.745 4.120 -0.001 0.000 0.284 36 V C 0.070 176.201 176.094 0.062 0.000 1.050 36 V CA -0.639 61.711 62.300 0.084 0.000 0.981 36 V CB 1.252 33.126 31.823 0.085 0.000 0.990 36 V HN 0.858 nan 8.190 nan 0.000 0.474 37 R N 3.920 124.457 120.500 0.063 0.000 2.229 37 R HA 0.510 4.850 4.340 -0.001 0.000 0.332 37 R C -0.460 175.871 176.300 0.051 0.000 0.989 37 R CA -0.530 55.596 56.100 0.044 0.000 0.842 37 R CB 0.871 31.196 30.300 0.041 0.000 1.119 37 R HN 0.951 nan 8.270 nan 0.000 0.456 38 K N 3.299 123.720 120.400 0.034 0.000 2.395 38 K HA 0.335 4.655 4.320 -0.001 0.000 0.247 38 K C -1.101 175.516 176.600 0.028 0.000 0.973 38 K CA -0.923 55.393 56.287 0.049 0.000 0.828 38 K CB 1.895 34.431 32.500 0.060 0.000 1.272 38 K HN 0.500 nan 8.250 nan 0.000 0.439 39 R N 1.720 122.249 120.500 0.050 0.000 2.207 39 R HA 0.250 4.590 4.340 -0.001 0.000 0.334 39 R C -0.453 175.870 176.300 0.038 0.000 1.013 39 R CA 0.122 56.241 56.100 0.033 0.000 0.858 39 R CB 0.814 31.143 30.300 0.048 0.000 1.094 39 R HN 0.778 nan 8.270 nan 0.000 0.457 40 T N -0.061 114.501 114.554 0.014 0.000 2.541 40 T HA 0.543 4.893 4.350 -0.001 0.000 0.222 40 T C -0.509 174.207 174.700 0.027 0.000 0.819 40 T CA -0.658 61.474 62.100 0.053 0.000 1.203 40 T CB 1.112 70.053 68.868 0.121 0.000 1.640 40 T HN 0.551 nan 8.240 nan 0.000 0.507 41 S N -0.407 115.331 115.700 0.063 0.000 2.558 41 S HA 0.698 5.168 4.470 -0.001 0.000 0.277 41 S C -1.318 173.324 174.600 0.070 0.000 1.143 41 S CA -1.109 57.101 58.200 0.017 0.000 0.865 41 S CB 2.217 65.422 63.200 0.009 0.000 1.102 41 S HN 1.052 nan 8.310 nan 0.000 0.454 42 R N 0.534 121.027 120.500 -0.011 0.000 2.626 42 R HA 0.491 4.830 4.340 -0.001 0.000 0.274 42 R C -2.099 174.172 176.300 -0.048 0.000 1.031 42 R CA -0.478 55.631 56.100 0.015 0.000 0.898 42 R CB 1.470 31.788 30.300 0.030 0.000 1.222 42 R HN 0.650 nan 8.270 nan 0.000 0.455 43 D N 2.822 123.211 120.400 -0.018 0.000 2.402 43 D HA 0.166 4.806 4.640 -0.001 0.000 0.235 43 D C -0.779 175.512 176.300 -0.014 0.000 1.226 43 D CA 0.188 54.175 54.000 -0.021 0.000 0.918 43 D CB 1.422 42.218 40.800 -0.007 0.000 1.043 43 D HN 0.184 nan 8.370 nan 0.000 0.506 44 V N 4.223 124.118 119.914 -0.031 0.000 2.630 44 V HA 0.450 4.570 4.120 -0.001 0.000 0.305 44 V C -2.296 173.831 176.094 0.055 0.000 1.046 44 V CA -2.378 59.930 62.300 0.014 0.000 0.934 44 V CB 2.196 34.009 31.823 -0.016 0.000 1.003 44 V HN 0.331 nan 8.190 nan 0.000 0.451 45 P HA 0.129 nan 4.420 nan 0.000 0.269 45 P C -0.270 177.084 177.300 0.090 0.000 1.263 45 P CA 0.348 63.490 63.100 0.070 0.000 0.813 45 P CB 0.657 32.393 31.700 0.061 0.000 0.868 46 V N 3.836 123.795 119.914 0.075 0.000 3.264 46 V HA 0.350 4.469 4.120 -0.001 0.000 0.304 46 V C 1.653 177.775 176.094 0.047 0.000 1.086 46 V CA 0.133 62.475 62.300 0.070 0.000 1.090 46 V CB 0.610 32.469 31.823 0.060 0.000 1.112 46 V HN 0.675 nan 8.190 nan 0.000 0.472 47 G N 0.224 109.047 108.800 0.037 0.000 2.716 47 G HA2 0.323 4.283 3.960 -0.001 0.000 0.251 47 G HA3 0.323 4.283 3.960 -0.001 0.000 0.251 47 G C 0.273 175.187 174.900 0.023 0.000 1.224 47 G CA 0.372 45.488 45.100 0.026 0.000 0.891 47 G HN 1.298 nan 8.290 nan 0.000 0.561 48 S N -1.489 114.222 115.700 0.018 0.000 3.797 48 S HA -0.092 4.377 4.470 -0.001 0.000 0.374 48 S C 1.530 176.139 174.600 0.016 0.000 0.970 48 S CA 1.431 59.640 58.200 0.015 0.000 1.177 48 S CB -1.581 61.627 63.200 0.014 0.000 0.891 48 S HN 2.666 nan 8.310 nan 0.000 0.491 49 G N -0.122 108.688 108.800 0.017 0.000 2.296 49 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.282 49 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.282 49 G C -0.108 174.802 174.900 0.017 0.000 1.014 49 G CA 1.006 46.116 45.100 0.016 0.000 0.812 49 G HN 0.807 nan 8.290 nan 0.000 0.508 50 R N 0.061 120.573 120.500 0.020 0.000 2.621 50 R HA 0.642 4.982 4.340 -0.001 0.000 0.292 50 R C -0.100 176.215 176.300 0.025 0.000 0.969 50 R CA -0.832 55.280 56.100 0.020 0.000 0.887 50 R CB 1.055 31.367 30.300 0.020 0.000 1.180 50 R HN 0.410 nan 8.270 nan 0.000 0.450 51 K N 1.884 122.297 120.400 0.021 0.000 2.376 51 K HA 0.484 4.803 4.320 -0.001 0.000 0.257 51 K C -0.931 175.679 176.600 0.017 0.000 0.939 51 K CA -0.709 55.592 56.287 0.023 0.000 0.809 51 K CB 2.294 34.805 32.500 0.018 0.000 1.121 51 K HN 0.458 nan 8.250 nan 0.000 0.425 52 E N 2.031 122.242 120.200 0.019 0.000 2.212 52 E HA 0.216 4.566 4.350 -0.001 0.000 0.270 52 E C -1.012 175.577 176.600 -0.017 0.000 0.956 52 E CA -1.203 55.202 56.400 0.008 0.000 0.825 52 E CB 2.029 31.742 29.700 0.022 0.000 1.167 52 E HN 0.469 nan 8.360 nan 0.000 0.400 53 R N 1.944 122.431 120.500 -0.022 0.000 2.196 53 R HA 0.253 4.593 4.340 -0.001 0.000 0.340 53 R C -1.302 174.962 176.300 -0.060 0.000 1.043 53 R CA -0.279 55.797 56.100 -0.039 0.000 0.883 53 R CB 0.658 30.945 30.300 -0.022 0.000 1.078 53 R HN 0.251 nan 8.270 nan 0.000 0.462 54 V N 7.141 126.982 119.914 -0.122 0.000 2.409 54 V HA 0.428 4.548 4.120 -0.001 0.000 0.291 54 V C -0.405 175.592 176.094 -0.161 0.000 1.020 54 V CA -0.765 61.438 62.300 -0.163 0.000 0.848 54 V CB 1.692 33.319 31.823 -0.326 0.000 0.990 54 V HN 0.689 nan 8.190 nan 0.000 0.430 55 V N 8.275 128.137 119.914 -0.087 0.000 2.637 55 V HA 0.643 4.763 4.120 -0.001 0.000 0.296 55 V C -0.209 175.839 176.094 -0.077 0.000 1.046 55 V CA 0.349 62.613 62.300 -0.060 0.000 1.066 55 V CB 0.775 32.586 31.823 -0.019 0.000 0.968 55 V HN 1.142 nan 8.190 nan 0.000 0.483 56 M N 3.653 123.210 119.600 -0.072 0.000 2.732 56 M HA 0.540 5.020 4.480 -0.001 0.000 0.272 56 M C -0.819 175.452 176.300 -0.049 0.000 1.203 56 M CA -0.655 54.606 55.300 -0.064 0.000 0.841 56 M CB 1.866 34.385 32.600 -0.135 0.000 1.685 56 M HN 0.412 nan 8.290 nan 0.000 0.492 57 T N 2.404 116.942 114.554 -0.025 0.000 2.829 57 T HA 0.815 5.165 4.350 -0.001 0.000 0.282 57 T C -0.690 173.984 174.700 -0.043 0.000 0.990 57 T CA -0.543 61.541 62.100 -0.026 0.000 1.028 57 T CB 1.021 69.886 68.868 -0.006 0.000 0.951 57 T HN 0.492 nan 8.240 nan 0.000 0.460 58 L N 2.520 123.703 121.223 -0.066 0.000 2.371 58 L HA 0.601 4.941 4.340 -0.001 0.000 0.262 58 L C -0.044 176.801 176.870 -0.041 0.000 1.006 58 L CA -1.119 53.672 54.840 -0.081 0.000 0.818 58 L CB 2.287 44.228 42.059 -0.196 0.000 1.354 58 L HN 0.367 nan 8.230 nan 0.000 0.415 59 R N 2.641 123.128 120.500 -0.022 0.000 2.265 59 R HA 0.629 4.969 4.340 -0.001 0.000 0.328 59 R C -1.168 175.134 176.300 0.004 0.000 0.969 59 R CA -0.535 55.566 56.100 0.002 0.000 0.832 59 R CB 1.466 31.774 30.300 0.014 0.000 1.139 59 R HN 0.444 nan 8.270 nan 0.000 0.457 60 I N 2.489 123.071 120.570 0.019 0.000 2.389 60 I HA 0.289 4.459 4.170 -0.001 0.000 0.288 60 I C 0.431 176.574 176.117 0.044 0.000 0.999 60 I CA -0.740 60.580 61.300 0.034 0.000 1.129 60 I CB 1.861 39.894 38.000 0.054 0.000 1.288 60 I HN 0.339 nan 8.210 nan 0.000 0.444 61 R N 7.268 127.791 120.500 0.038 0.000 2.441 61 R HA 0.298 4.638 4.340 -0.001 0.000 0.300 61 R C -0.394 175.930 176.300 0.041 0.000 1.284 61 R CA -0.399 55.722 56.100 0.034 0.000 1.069 61 R CB -0.045 30.269 30.300 0.024 0.000 1.087 61 R HN 0.625 nan 8.270 nan 0.000 0.519 62 L N 3.459 124.711 121.223 0.049 0.000 2.640 62 L HA -0.193 4.147 4.340 -0.001 0.000 0.300 62 L C 0.678 177.577 176.870 0.048 0.000 1.259 62 L CA 0.909 55.783 54.840 0.056 0.000 0.879 62 L CB 0.237 42.336 42.059 0.066 0.000 1.125 62 L HN 0.804 nan 8.230 nan 0.000 0.507 63 D N -0.602 119.829 120.400 0.052 0.000 2.212 63 D HA 0.045 4.685 4.640 -0.001 0.000 0.311 63 D C -0.089 176.241 176.300 0.051 0.000 1.091 63 D CA 0.298 54.325 54.000 0.045 0.000 0.910 63 D CB 0.790 41.614 40.800 0.040 0.000 1.707 63 D HN 0.463 nan 8.370 nan 0.000 0.522 64 S N 0.708 116.438 115.700 0.051 0.000 2.546 64 S HA 0.594 5.064 4.470 -0.001 0.000 0.272 64 S C -1.414 173.207 174.600 0.035 0.000 1.140 64 S CA -0.895 57.330 58.200 0.041 0.000 0.920 64 S CB 0.954 64.169 63.200 0.025 0.000 1.083 64 S HN 0.222 nan 8.310 nan 0.000 0.476 65 I N 0.741 121.313 120.570 0.003 0.000 2.534 65 I HA 0.683 4.853 4.170 -0.001 0.000 0.286 65 I C -1.163 174.890 176.117 -0.108 0.000 1.094 65 I CA -0.619 60.670 61.300 -0.019 0.000 1.055 65 I CB 1.803 39.823 38.000 0.033 0.000 1.225 65 I HN 0.524 nan 8.210 nan 0.000 0.435 66 E N 5.223 125.411 120.200 -0.020 0.000 2.288 66 E HA 0.600 4.950 4.350 -0.001 0.000 0.268 66 E C -1.900 174.779 176.600 0.131 0.000 0.885 66 E CA -0.640 55.764 56.400 0.007 0.000 0.767 66 E CB 3.548 33.249 29.700 0.001 0.000 1.220 66 E HN 0.660 nan 8.360 nan 0.000 0.427 67 F N 1.493 121.436 119.950 -0.012 0.000 2.573 67 F HA 0.270 4.796 4.527 -0.001 0.000 0.316 67 F C -1.098 174.736 175.800 0.057 0.000 1.148 67 F CA -0.520 57.499 58.000 0.033 0.000 0.940 67 F CB 1.547 40.596 39.000 0.080 0.000 1.214 67 F HN 0.088 nan 8.300 nan 0.000 0.448 68 Q N 7.124 126.525 119.800 -0.665 0.000 2.322 68 Q HA 0.415 4.755 4.340 -0.001 0.000 0.265 68 Q C -2.587 172.858 176.000 -0.925 0.000 0.985 68 Q CA -2.174 53.295 55.803 -0.557 0.000 0.849 68 Q CB 2.273 30.865 28.738 -0.243 0.000 1.274 68 Q HN 0.379 nan 8.270 nan 0.000 0.449 69 P HA 0.025 nan 4.420 nan 0.000 0.267 69 P C -0.621 176.509 177.300 -0.284 0.000 1.200 69 P CA 0.087 62.876 63.100 -0.520 0.000 0.772 69 P CB 0.202 31.662 31.700 -0.400 0.000 0.855 70 F N -0.699 119.240 119.950 -0.018 0.000 2.884 70 F HA -0.230 4.297 4.527 -0.000 0.000 0.294 70 F C 1.253 177.035 175.800 -0.031 0.000 0.723 70 F CA 1.450 59.460 58.000 0.016 0.000 1.294 70 F CB -3.004 36.014 39.000 0.030 0.000 1.551 70 F HN 0.384 nan 8.300 nan 0.000 0.363 71 T N -3.765 110.787 114.554 -0.004 0.000 2.985 71 T HA 0.480 4.830 4.350 -0.001 0.000 0.254 71 T C 1.670 176.361 174.700 -0.016 0.000 1.021 71 T CA 0.765 62.850 62.100 -0.026 0.000 0.957 71 T CB 0.711 69.517 68.868 -0.104 0.000 1.047 71 T HN 1.497 nan 8.240 nan 0.000 0.511 72 G N 1.751 110.551 108.800 -0.000 0.000 2.258 72 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.274 72 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.274 72 G C -0.190 174.737 174.900 0.046 0.000 1.021 72 G CA 0.549 45.676 45.100 0.045 0.000 0.798 72 G HN 0.707 nan 8.290 nan 0.000 0.507 73 K N -0.605 119.809 120.400 0.024 0.000 2.482 73 K HA 0.544 4.864 4.320 -0.001 0.000 0.251 73 K C -0.859 175.811 176.600 0.116 0.000 0.936 73 K CA -0.999 55.316 56.287 0.046 0.000 0.791 73 K CB 2.131 34.632 32.500 0.003 0.000 1.213 73 K HN 0.040 nan 8.250 nan 0.000 0.428 74 L N 4.253 125.573 121.223 0.162 0.000 2.280 74 L HA 0.429 4.768 4.340 -0.001 0.000 0.287 74 L C -0.791 176.141 176.870 0.103 0.000 1.023 74 L CA -0.484 54.478 54.840 0.204 0.000 0.819 74 L CB 0.897 43.058 42.059 0.170 0.000 1.212 74 L HN 0.604 nan 8.230 nan 0.000 0.420 75 R N 6.108 126.657 120.500 0.081 0.000 2.216 75 R HA 0.502 4.842 4.340 -0.001 0.000 0.332 75 R C -0.188 176.137 176.300 0.043 0.000 1.056 75 R CA -0.194 55.932 56.100 0.043 0.000 0.901 75 R CB 0.867 31.178 30.300 0.020 0.000 1.039 75 R HN 0.628 nan 8.270 nan 0.000 0.456 76 I N -0.924 119.673 120.570 0.045 0.000 2.693 76 I HA 0.740 4.910 4.170 -0.001 0.000 0.303 76 I C -0.273 175.873 176.117 0.048 0.000 1.025 76 I CA -0.737 60.594 61.300 0.052 0.000 1.086 76 I CB 2.376 40.417 38.000 0.068 0.000 1.268 76 I HN 0.605 nan 8.210 nan 0.000 0.440 77 S N 2.560 118.290 115.700 0.050 0.000 2.588 77 S HA 0.991 5.461 4.470 -0.001 0.000 0.269 77 S C -0.632 174.004 174.600 0.060 0.000 1.157 77 S CA -0.068 58.165 58.200 0.056 0.000 0.824 77 S CB 1.556 64.771 63.200 0.025 0.000 1.126 77 S HN 1.644 nan 8.310 nan 0.000 0.464 78 G N 0.201 109.043 108.800 0.070 0.000 2.340 78 G HA2 0.462 4.422 3.960 -0.001 0.000 0.299 78 G HA3 0.462 4.422 3.960 -0.001 0.000 0.299 78 G C -1.767 173.174 174.900 0.067 0.000 1.291 78 G CA -0.830 44.306 45.100 0.060 0.000 0.841 78 G HN 0.900 nan 8.290 nan 0.000 0.500 79 I N 0.595 121.197 120.570 0.052 0.000 2.472 79 I HA 0.329 4.499 4.170 -0.001 0.000 0.290 79 I C 0.497 176.641 176.117 0.046 0.000 1.016 79 I CA -0.818 60.511 61.300 0.049 0.000 1.348 79 I CB 1.679 39.700 38.000 0.035 0.000 1.417 79 I HN 0.123 nan 8.210 nan 0.000 0.521 80 V N 6.971 126.912 119.914 0.045 0.000 2.555 80 V HA 0.014 4.133 4.120 -0.001 0.000 0.286 80 V C 0.739 176.845 176.094 0.020 0.000 1.044 80 V CA 0.126 62.441 62.300 0.025 0.000 1.026 80 V CB 1.551 33.384 31.823 0.017 0.000 0.981 80 V HN 0.608 nan 8.190 nan 0.000 0.480 81 V N 3.836 123.759 119.914 0.014 0.000 3.604 81 V HA 0.343 4.463 4.120 -0.001 0.000 0.277 81 V C 0.421 176.522 176.094 0.012 0.000 1.399 81 V CA 0.633 62.942 62.300 0.014 0.000 1.034 81 V CB 0.324 32.156 31.823 0.016 0.000 0.824 81 V HN 1.000 nan 8.190 nan 0.000 0.439 82 E N -1.836 118.370 120.200 0.009 0.000 2.389 82 E HA 0.496 4.846 4.350 -0.001 0.000 0.281 82 E C -0.707 175.897 176.600 0.007 0.000 1.072 82 E CA 0.259 56.665 56.400 0.011 0.000 0.845 82 E CB 1.784 31.490 29.700 0.011 0.000 1.239 82 E HN 0.181 nan 8.360 nan 0.000 0.434 83 G N 1.717 110.530 108.800 0.021 0.000 2.664 83 G HA2 0.579 4.539 3.960 -0.001 0.000 0.303 83 G HA3 0.579 4.539 3.960 -0.001 0.000 0.303 83 G C -2.944 171.994 174.900 0.064 0.000 1.243 83 G CA -0.711 44.408 45.100 0.031 0.000 0.826 83 G HN 0.345 nan 8.290 nan 0.000 0.498 84 P HA 0.316 nan 4.420 nan 0.000 0.280 84 P C -0.278 177.089 177.300 0.113 0.000 1.244 84 P CA -0.334 62.859 63.100 0.154 0.000 0.784 84 P CB 1.260 33.171 31.700 0.352 0.000 0.913 85 D N 1.969 122.378 120.400 0.015 0.000 2.234 85 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 85 D C 1.873 178.113 176.300 -0.100 0.000 0.962 85 D CA 1.111 55.099 54.000 -0.019 0.000 0.855 85 D CB -0.300 40.482 40.800 -0.029 0.000 0.951 85 D HN 0.577 nan 8.370 nan 0.000 0.500 86 E N 0.150 120.200 120.200 -0.250 0.000 2.455 86 E HA -0.136 4.214 4.350 -0.001 0.000 0.202 86 E C 1.193 177.352 176.600 -0.736 0.000 1.045 86 E CA 0.750 56.828 56.400 -0.536 0.000 0.872 86 E CB -0.891 28.349 29.700 -0.766 0.000 0.792 86 E HN 0.366 nan 8.360 nan 0.000 0.542 87 F N -1.889 118.062 119.950 0.001 0.000 2.856 87 F HA 0.430 4.957 4.527 -0.000 0.000 0.338 87 F C 1.689 177.492 175.800 0.005 0.000 1.005 87 F CA -0.005 57.997 58.000 0.004 0.000 1.155 87 F CB 0.656 39.659 39.000 0.004 0.000 1.010 87 F HN 0.248 nan 8.300 nan 0.000 0.587 88 G N 1.666 110.553 108.800 0.145 0.000 2.351 88 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.297 88 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.297 88 G C 0.466 175.419 174.900 0.087 0.000 1.054 88 G CA 0.504 45.655 45.100 0.086 0.000 1.123 88 G HN 0.248 nan 8.290 nan 0.000 0.512 89 V N -0.718 119.250 119.914 0.091 0.000 3.608 89 V HA 0.350 4.469 4.120 -0.001 0.000 0.269 89 V C 2.027 178.149 176.094 0.046 0.000 1.245 89 V CA 1.648 63.988 62.300 0.067 0.000 1.138 89 V CB -0.827 31.027 31.823 0.051 0.000 0.841 89 V HN 1.065 nan 8.190 nan 0.000 0.451 90 K N 0.895 121.319 120.400 0.040 0.000 2.485 90 K HA 0.392 4.711 4.320 -0.001 0.000 0.277 90 K C 1.499 178.117 176.600 0.030 0.000 0.990 90 K CA 0.655 56.960 56.287 0.030 0.000 0.994 90 K CB -0.805 31.709 32.500 0.025 0.000 0.906 90 K HN 1.147 nan 8.250 nan 0.000 0.488 91 G N 0.685 109.502 108.800 0.028 0.000 2.241 91 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 91 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 91 G C 0.565 175.485 174.900 0.033 0.000 0.998 91 G CA 0.536 45.652 45.100 0.027 0.000 0.621 91 G HN 0.843 nan 8.290 nan 0.000 0.519 92 R N 0.216 120.740 120.500 0.041 0.000 2.549 92 R HA 0.629 4.969 4.340 -0.001 0.000 0.267 92 R C 0.705 177.043 176.300 0.064 0.000 1.045 92 R CA -0.698 55.432 56.100 0.049 0.000 1.115 92 R CB 0.786 31.119 30.300 0.056 0.000 1.121 92 R HN 0.316 nan 8.270 nan 0.000 0.543 93 R N 1.046 121.584 120.500 0.064 0.000 2.459 93 R HA 0.133 4.472 4.340 -0.001 0.000 0.281 93 R C -0.917 175.459 176.300 0.127 0.000 1.050 93 R CA -0.203 55.942 56.100 0.075 0.000 1.055 93 R CB 0.740 31.066 30.300 0.043 0.000 1.045 93 R HN 0.609 nan 8.270 nan 0.000 0.495 94 H N 1.697 120.775 119.070 0.014 0.000 2.782 94 H HA 0.326 4.882 4.556 -0.001 0.000 0.347 94 H C -1.487 173.849 175.328 0.013 0.000 1.038 94 H CA -0.546 55.509 56.048 0.011 0.000 1.255 94 H CB 1.890 31.659 29.762 0.012 0.000 1.623 94 H HN 0.642 nan 8.280 nan 0.000 0.525 95 S N 3.135 118.666 115.700 -0.282 0.000 2.500 95 S HA 0.495 4.965 4.470 -0.001 0.000 0.301 95 S C -0.240 174.204 174.600 -0.260 0.000 1.092 95 S CA -0.522 57.579 58.200 -0.165 0.000 1.030 95 S CB 2.345 65.484 63.200 -0.102 0.000 1.031 95 S HN 0.775 nan 8.310 nan 0.000 0.483 96 T N 0.637 115.134 114.554 -0.095 0.000 2.637 96 T HA 0.753 5.103 4.350 -0.001 0.000 0.303 96 T C -2.008 172.697 174.700 0.008 0.000 1.288 96 T CA -0.213 61.855 62.100 -0.053 0.000 1.040 96 T CB 0.955 69.838 68.868 0.026 0.000 1.644 96 T HN 0.874 nan 8.240 nan 0.000 0.480 97 A N 1.096 123.932 122.820 0.027 0.000 2.393 97 A HA 0.730 5.050 4.320 -0.001 0.000 0.306 97 A C -0.890 176.723 177.584 0.049 0.000 1.050 97 A CA -0.508 51.551 52.037 0.037 0.000 0.724 97 A CB 1.566 20.581 19.000 0.024 0.000 1.248 97 A HN 0.748 nan 8.150 nan 0.000 0.424 98 V N 2.562 122.509 119.914 0.056 0.000 2.508 98 V HA 0.374 4.494 4.120 -0.001 0.000 0.281 98 V C 0.592 176.713 176.094 0.044 0.000 1.041 98 V CA 0.191 62.521 62.300 0.049 0.000 1.016 98 V CB 0.794 32.644 31.823 0.045 0.000 0.984 98 V HN 0.925 nan 8.190 nan 0.000 0.478 99 S N 4.580 120.298 115.700 0.030 0.000 2.747 99 S HA 0.612 5.082 4.470 -0.001 0.000 0.300 99 S C -0.008 174.592 174.600 0.000 0.000 1.121 99 S CA -0.718 57.496 58.200 0.023 0.000 0.995 99 S CB 1.432 64.643 63.200 0.019 0.000 1.113 99 S HN 0.543 nan 8.310 nan 0.000 0.547 100 I N 2.225 122.795 120.570 -0.001 0.000 2.671 100 I HA 0.242 4.412 4.170 -0.001 0.000 0.285 100 I C 1.360 177.443 176.117 -0.058 0.000 1.148 100 I CA 0.732 62.015 61.300 -0.028 0.000 1.386 100 I CB -0.581 37.413 38.000 -0.011 0.000 1.406 100 I HN 1.050 nan 8.210 nan 0.000 0.540 101 G N 3.938 112.669 108.800 -0.116 0.000 2.201 101 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.212 101 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.212 101 G C 0.349 175.141 174.900 -0.181 0.000 0.994 101 G CA -0.004 44.995 45.100 -0.167 0.000 0.644 101 G HN 0.679 nan 8.290 nan 0.000 0.508 102 T N -0.985 113.509 114.554 -0.101 0.000 2.814 102 T HA 0.462 4.812 4.350 -0.001 0.000 0.297 102 T C 0.299 174.970 174.700 -0.048 0.000 0.956 102 T CA -0.364 61.724 62.100 -0.021 0.000 1.123 102 T CB 0.941 69.828 68.868 0.032 0.000 0.902 102 T HN 0.301 nan 8.240 nan 0.000 0.528 103 W N 4.093 125.393 121.300 0.000 0.000 2.190 103 W HA 0.501 5.160 4.660 -0.000 0.000 0.330 103 W C -0.099 176.418 176.519 -0.004 0.000 1.299 103 W CA -0.846 56.495 57.345 -0.007 0.000 1.215 103 W CB 0.841 30.297 29.460 -0.007 0.000 1.147 103 W HN 0.661 nan 8.180 nan 0.000 0.563 104 L N 1.938 123.310 121.223 0.249 0.000 2.518 104 L HA 0.728 5.068 4.340 -0.001 0.000 0.257 104 L C -1.585 175.364 176.870 0.131 0.000 0.980 104 L CA -1.690 53.245 54.840 0.158 0.000 0.837 104 L CB 0.643 42.761 42.059 0.097 0.000 1.410 104 L HN 0.147 nan 8.230 nan 0.000 0.410 105 V N 2.400 122.375 119.914 0.101 0.000 2.409 105 V HA 0.706 4.826 4.120 -0.001 0.000 0.291 105 V C -0.225 175.927 176.094 0.096 0.000 1.020 105 V CA -0.604 61.745 62.300 0.081 0.000 0.848 105 V CB 1.884 33.747 31.823 0.067 0.000 0.990 105 V HN 0.738 nan 8.190 nan 0.000 0.430 106 V N 5.275 125.258 119.914 0.116 0.000 2.448 106 V HA 0.610 4.730 4.120 -0.001 0.000 0.295 106 V C -0.302 176.030 176.094 0.396 0.000 1.025 106 V CA -0.287 62.148 62.300 0.224 0.000 0.859 106 V CB 1.717 33.688 31.823 0.247 0.000 0.988 106 V HN 0.992 nan 8.190 nan 0.000 0.431 107 E N 6.682 127.054 120.200 0.287 0.000 2.073 107 E HA 0.365 4.715 4.350 -0.001 0.000 0.269 107 E C -0.446 176.198 176.600 0.072 0.000 0.917 107 E CA -0.723 55.818 56.400 0.234 0.000 0.757 107 E CB 0.938 30.709 29.700 0.119 0.000 1.111 107 E HN 0.805 nan 8.360 nan 0.000 0.410 108 R N 3.741 124.161 120.500 -0.133 0.000 2.297 108 R HA 0.055 4.395 4.340 -0.001 0.000 0.308 108 R C 0.581 176.688 176.300 -0.322 0.000 1.029 108 R CA -0.283 55.521 56.100 -0.493 0.000 0.929 108 R CB 0.911 30.397 30.300 -1.356 0.000 1.046 108 R HN 0.545 nan 8.270 nan 0.000 0.461 109 D N 3.405 123.671 120.400 -0.225 0.000 2.084 109 D HA -0.084 4.556 4.640 -0.001 0.000 0.196 109 D C 0.908 177.121 176.300 -0.144 0.000 0.985 109 D CA 2.004 55.920 54.000 -0.140 0.000 0.826 109 D CB 0.098 40.837 40.800 -0.101 0.000 0.978 109 D HN 0.571 nan 8.370 nan 0.000 0.456 110 K N -0.049 120.245 120.400 -0.176 0.000 2.797 110 K HA 0.452 4.772 4.320 -0.001 0.000 0.307 110 K C 1.056 177.541 176.600 -0.191 0.000 1.072 110 K CA 0.473 56.666 56.287 -0.157 0.000 0.981 110 K CB -1.187 31.218 32.500 -0.158 0.000 1.078 110 K HN 0.305 nan 8.250 nan 0.000 0.459 111 G N -2.071 106.631 108.800 -0.163 0.000 2.434 111 G HA2 0.481 4.440 3.960 -0.001 0.000 0.330 111 G HA3 0.481 4.440 3.960 -0.001 0.000 0.330 111 G C -1.142 173.641 174.900 -0.196 0.000 1.155 111 G CA -0.849 44.175 45.100 -0.126 0.000 0.917 111 G HN 0.578 nan 8.290 nan 0.000 0.493 112 W N 2.116 123.409 121.300 -0.013 0.000 2.546 112 W HA 0.371 5.031 4.660 -0.001 0.000 0.323 112 W C 1.366 177.876 176.519 -0.015 0.000 1.272 112 W CA -0.417 56.918 57.345 -0.016 0.000 1.404 112 W CB 0.669 30.122 29.460 -0.011 0.000 1.411 112 W HN 0.623 nan 8.180 nan 0.000 0.480 113 S N 1.392 117.204 115.700 0.186 0.000 2.596 113 S HA 0.229 4.699 4.470 -0.001 0.000 0.260 113 S C 1.269 175.941 174.600 0.120 0.000 1.336 113 S CA 0.277 58.545 58.200 0.112 0.000 0.993 113 S CB 1.347 64.584 63.200 0.060 0.000 0.923 113 S HN 0.625 nan 8.310 nan 0.000 0.567 114 E N 0.044 120.286 120.200 0.071 0.000 2.230 114 E HA 0.002 4.352 4.350 -0.001 0.000 0.192 114 E C 2.055 178.678 176.600 0.038 0.000 0.987 114 E CA 1.075 57.506 56.400 0.051 0.000 0.841 114 E CB -0.999 28.721 29.700 0.034 0.000 0.783 114 E HN 0.815 nan 8.360 nan 0.000 0.481 115 Q N -0.284 119.538 119.800 0.037 0.000 2.002 115 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 115 Q C 2.324 178.344 176.000 0.034 0.000 0.988 115 Q CA 1.857 57.676 55.803 0.026 0.000 0.843 115 Q CB -0.116 28.634 28.738 0.020 0.000 0.908 115 Q HN 0.689 nan 8.270 nan 0.000 0.420 116 E N 0.029 120.270 120.200 0.067 0.000 2.097 116 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 116 E C 1.837 178.474 176.600 0.061 0.000 1.000 116 E CA 1.001 57.462 56.400 0.102 0.000 0.804 116 E CB 0.008 29.845 29.700 0.228 0.000 0.740 116 E HN 0.145 nan 8.360 nan 0.000 0.454 117 L N 0.940 122.192 121.223 0.048 0.000 2.141 117 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 117 L C 1.945 178.789 176.870 -0.043 0.000 1.094 117 L CA 1.581 56.398 54.840 -0.038 0.000 0.763 117 L CB -0.418 41.623 42.059 -0.030 0.000 0.908 117 L HN 0.088 nan 8.230 nan 0.000 0.437 118 E N -0.985 119.206 120.200 -0.014 0.000 2.072 118 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 118 E C 2.289 178.874 176.600 -0.024 0.000 0.982 118 E CA 0.481 56.871 56.400 -0.017 0.000 0.803 118 E CB -0.062 29.635 29.700 -0.004 0.000 0.755 118 E HN 0.294 nan 8.360 nan 0.000 0.453 119 R N 0.652 121.139 120.500 -0.020 0.000 2.094 119 R HA -0.186 4.154 4.340 -0.001 0.000 0.239 119 R C 2.126 178.394 176.300 -0.052 0.000 1.137 119 R CA 1.171 57.253 56.100 -0.030 0.000 0.943 119 R CB -0.224 30.061 30.300 -0.026 0.000 0.850 119 R HN 0.131 nan 8.270 nan 0.000 0.433 120 L N 0.360 121.541 121.223 -0.071 0.000 2.129 120 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 120 L C 2.120 178.938 176.870 -0.086 0.000 1.087 120 L CA 2.003 56.781 54.840 -0.103 0.000 0.757 120 L CB -1.105 40.859 42.059 -0.158 0.000 0.896 120 L HN 0.301 nan 8.230 nan 0.000 0.434 121 A N -1.928 120.852 122.820 -0.067 0.000 2.308 121 A HA 0.387 4.707 4.320 -0.001 0.000 0.217 121 A C 2.317 179.881 177.584 -0.034 0.000 1.216 121 A CA 0.715 52.720 52.037 -0.053 0.000 0.864 121 A CB -0.286 18.686 19.000 -0.047 0.000 0.902 121 A HN 0.286 nan 8.150 nan 0.000 0.499 122 A N 0.641 123.445 122.820 -0.028 0.000 1.865 122 A HA 0.208 4.528 4.320 -0.001 0.000 0.217 122 A C 1.791 179.374 177.584 -0.001 0.000 1.191 122 A CA 1.125 53.156 52.037 -0.010 0.000 0.623 122 A CB -1.561 17.437 19.000 -0.004 0.000 0.826 122 A HN 1.157 nan 8.150 nan 0.000 0.444 123 G N -1.625 107.174 108.800 -0.002 0.000 2.115 123 G HA2 0.306 4.266 3.960 -0.001 0.000 0.244 123 G HA3 0.306 4.266 3.960 -0.001 0.000 0.244 123 G C 0.511 175.416 174.900 0.008 0.000 1.105 123 G CA 0.534 45.641 45.100 0.011 0.000 0.893 123 G HN 1.138 nan 8.290 nan 0.000 0.443 124 R N 2.066 122.577 120.500 0.020 0.000 2.613 124 R HA 0.723 5.063 4.340 -0.001 0.000 0.361 124 R C 1.513 177.824 176.300 0.019 0.000 1.072 124 R CA 0.976 57.085 56.100 0.015 0.000 1.089 124 R CB -0.764 29.545 30.300 0.015 0.000 1.343 124 R HN 2.490 nan 8.270 nan 0.000 0.571 125 A N 0.829 123.664 122.820 0.024 0.000 2.681 125 A HA -0.288 4.032 4.320 -0.001 0.000 0.304 125 A C 1.730 179.335 177.584 0.035 0.000 1.516 125 A CA 1.362 53.418 52.037 0.032 0.000 0.837 125 A CB -1.706 17.306 19.000 0.019 0.000 0.998 125 A HN 0.764 nan 8.150 nan 0.000 0.466 126 R N -0.791 119.730 120.500 0.035 0.000 2.261 126 R HA 0.078 4.418 4.340 -0.001 0.000 0.236 126 R C 2.070 178.385 176.300 0.026 0.000 1.141 126 R CA 1.121 57.236 56.100 0.025 0.000 1.001 126 R CB -0.439 29.872 30.300 0.018 0.000 0.866 126 R HN 1.747 nan 8.270 nan 0.000 0.468 127 G N -0.020 108.804 108.800 0.040 0.000 2.629 127 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.313 127 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.313 127 G C 0.012 174.931 174.900 0.032 0.000 1.217 127 G CA 0.670 45.801 45.100 0.051 0.000 0.994 127 G HN 0.365 nan 8.290 nan 0.000 0.549 128 T N 0.090 114.671 114.554 0.045 0.000 2.896 128 T HA 0.790 5.140 4.350 -0.001 0.000 0.297 128 T C -0.164 174.547 174.700 0.018 0.000 1.108 128 T CA 0.717 62.848 62.100 0.052 0.000 1.004 128 T CB 1.722 70.664 68.868 0.124 0.000 1.159 128 T HN 1.949 nan 8.240 nan 0.000 0.499 129 A N 1.145 123.961 122.820 -0.008 0.000 2.515 129 A HA 0.891 5.210 4.320 -0.001 0.000 0.296 129 A C -0.889 176.652 177.584 -0.072 0.000 1.094 129 A CA -0.760 51.258 52.037 -0.030 0.000 0.718 129 A CB 1.412 20.392 19.000 -0.033 0.000 1.307 129 A HN 1.080 nan 8.150 nan 0.000 0.408 130 V N -0.249 119.622 119.914 -0.071 0.000 2.555 130 V HA 0.847 4.966 4.120 -0.001 0.000 0.302 130 V C -0.691 175.351 176.094 -0.088 0.000 1.038 130 V CA -0.743 61.493 62.300 -0.106 0.000 0.887 130 V CB 1.300 33.066 31.823 -0.096 0.000 0.991 130 V HN 0.686 nan 8.190 nan 0.000 0.434 131 I N 2.934 123.437 120.570 -0.112 0.000 2.530 131 I HA 0.957 5.126 4.170 -0.001 0.000 0.297 131 I C 0.163 176.202 176.117 -0.129 0.000 1.011 131 I CA -0.785 60.455 61.300 -0.101 0.000 1.107 131 I CB 1.396 39.336 38.000 -0.100 0.000 1.285 131 I HN 1.025 nan 8.210 nan 0.000 0.436 132 A N 3.738 126.493 122.820 -0.108 0.000 2.539 132 A HA 0.968 5.288 4.320 -0.001 0.000 0.296 132 A C -1.195 176.323 177.584 -0.110 0.000 1.073 132 A CA -0.592 51.356 52.037 -0.148 0.000 0.700 132 A CB 2.076 21.057 19.000 -0.033 0.000 1.296 132 A HN 1.041 nan 8.150 nan 0.000 0.405 133 A N 0.546 123.274 122.820 -0.152 0.000 2.427 133 A HA 0.747 5.067 4.320 -0.001 0.000 0.298 133 A C -0.773 176.816 177.584 0.009 0.000 1.036 133 A CA -0.175 51.822 52.037 -0.066 0.000 0.701 133 A CB 1.272 20.226 19.000 -0.076 0.000 1.250 133 A HN 2.171 nan 8.150 nan 0.000 0.412 134 V N 0.450 120.394 119.914 0.050 0.000 2.709 134 V HA 0.903 5.023 4.120 -0.001 0.000 0.308 134 V C -0.929 175.177 176.094 0.020 0.000 1.062 134 V CA -0.700 61.655 62.300 0.092 0.000 0.901 134 V CB 1.534 33.359 31.823 0.003 0.000 1.003 134 V HN 1.033 nan 8.190 nan 0.000 0.425 135 D N 1.905 122.349 120.400 0.073 0.000 2.837 135 D HA 0.363 5.003 4.640 -0.001 0.000 0.294 135 D C 0.203 176.537 176.300 0.056 0.000 1.158 135 D CA -0.758 53.235 54.000 -0.012 0.000 1.073 135 D CB 0.671 41.499 40.800 0.046 0.000 1.419 135 D HN 0.302 nan 8.370 nan 0.000 0.584 136 Y N -0.172 120.219 120.300 0.152 0.000 2.571 136 Y HA 0.059 4.609 4.550 -0.001 0.000 0.294 136 Y C 1.167 177.070 175.900 0.005 0.000 1.141 136 Y CA 0.956 59.117 58.100 0.101 0.000 1.308 136 Y CB -0.046 38.443 38.460 0.049 0.000 1.002 136 Y HN 0.285 nan 8.280 nan 0.000 0.551 137 D N -0.882 119.609 120.400 0.152 0.000 2.431 137 D HA 0.050 4.690 4.640 -0.001 0.000 0.235 137 D C 0.222 176.568 176.300 0.077 0.000 0.980 137 D CA 0.550 54.595 54.000 0.075 0.000 0.912 137 D CB 0.440 41.284 40.800 0.074 0.000 1.056 137 D HN 0.267 nan 8.370 nan 0.000 0.494 138 E N -0.726 119.564 120.200 0.149 0.000 2.314 138 E HA 0.435 4.785 4.350 -0.001 0.000 0.272 138 E C -1.724 175.050 176.600 0.290 0.000 0.884 138 E CA -0.637 55.865 56.400 0.170 0.000 0.753 138 E CB 2.599 32.352 29.700 0.087 0.000 1.213 138 E HN -0.116 nan 8.360 nan 0.000 0.432 139 F N 2.530 122.554 119.950 0.123 0.000 2.557 139 F HA 0.758 5.285 4.527 -0.000 0.000 0.316 139 F C -1.533 174.283 175.800 0.026 0.000 1.141 139 F CA -0.375 57.669 58.000 0.073 0.000 0.922 139 F CB 1.295 40.358 39.000 0.105 0.000 1.194 139 F HN 0.516 nan 8.300 nan 0.000 0.443 140 A N 5.584 127.937 122.820 -0.778 0.000 2.498 140 A HA 0.860 5.180 4.320 -0.001 0.000 0.298 140 A C -2.470 174.582 177.584 -0.887 0.000 1.075 140 A CA -0.723 50.885 52.037 -0.715 0.000 0.714 140 A CB 1.874 20.686 19.000 -0.314 0.000 1.299 140 A HN 0.929 nan 8.150 nan 0.000 0.407 141 L N 0.752 121.612 121.223 -0.606 0.000 2.431 141 L HA 0.918 5.257 4.340 -0.001 0.000 0.266 141 L C -0.387 176.320 176.870 -0.271 0.000 0.978 141 L CA -0.041 54.550 54.840 -0.416 0.000 0.822 141 L CB 1.794 43.674 42.059 -0.298 0.000 1.310 141 L HN 1.449 nan 8.230 nan 0.000 0.409 142 A N 3.588 126.265 122.820 -0.239 0.000 2.515 142 A HA 0.775 5.094 4.320 -0.001 0.000 0.298 142 A C -1.736 175.677 177.584 -0.286 0.000 1.059 142 A CA -0.489 51.399 52.037 -0.248 0.000 0.698 142 A CB 1.919 20.801 19.000 -0.197 0.000 1.289 142 A HN 0.886 nan 8.150 nan 0.000 0.404 143 V N 3.251 122.913 119.914 -0.421 0.000 2.472 143 V HA 0.650 4.770 4.120 -0.001 0.000 0.290 143 V C -0.836 175.109 176.094 -0.248 0.000 1.037 143 V CA -0.643 61.374 62.300 -0.471 0.000 0.908 143 V CB 1.146 32.396 31.823 -0.955 0.000 0.985 143 V HN 0.742 nan 8.190 nan 0.000 0.454 144 L N 5.986 127.163 121.223 -0.077 0.000 2.334 144 L HA 0.860 5.200 4.340 -0.001 0.000 0.273 144 L C 0.213 177.128 176.870 0.075 0.000 1.013 144 L CA -0.422 54.441 54.840 0.039 0.000 0.816 144 L CB 1.624 43.658 42.059 -0.042 0.000 1.278 144 L HN 0.821 nan 8.230 nan 0.000 0.431 145 A N 1.114 123.896 122.820 -0.063 0.000 2.470 145 A HA 0.712 5.032 4.320 -0.001 0.000 0.271 145 A C 0.890 178.220 177.584 -0.423 0.000 1.269 145 A CA 0.197 52.036 52.037 -0.329 0.000 0.828 145 A CB 0.763 19.328 19.000 -0.725 0.000 1.374 145 A HN 0.795 nan 8.150 nan 0.000 0.454 146 G N -0.898 107.639 108.800 -0.437 0.000 2.422 146 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.218 146 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.218 146 G C 0.809 175.492 174.900 -0.363 0.000 1.140 146 G CA 1.346 46.292 45.100 -0.257 0.000 0.775 146 G HN 0.973 nan 8.290 nan 0.000 0.545 147 H N -1.240 117.525 119.070 -0.508 0.000 2.475 147 H HA 0.485 5.041 4.556 -0.000 0.000 0.276 147 H C 0.479 175.375 175.328 -0.719 0.000 1.126 147 H CA 0.033 55.507 56.048 -0.956 0.000 1.023 147 H CB 0.142 28.746 29.762 -1.929 0.000 1.669 147 H HN 0.329 nan 8.280 nan 0.000 0.573 148 G N 0.503 108.982 108.800 -0.536 0.000 2.340 148 G HA2 0.339 4.298 3.960 -0.001 0.000 0.300 148 G HA3 0.339 4.298 3.960 -0.001 0.000 0.300 148 G C -1.984 172.874 174.900 -0.070 0.000 1.488 148 G CA -0.867 44.063 45.100 -0.284 0.000 0.878 148 G HN 0.273 nan 8.290 nan 0.000 0.618 149 M N 0.825 120.490 119.600 0.107 0.000 2.378 149 M HA 0.730 5.209 4.480 -0.001 0.000 0.289 149 M C -1.718 174.665 176.300 0.139 0.000 1.136 149 M CA -0.885 54.508 55.300 0.155 0.000 0.917 149 M CB 2.265 34.870 32.600 0.009 0.000 1.669 149 M HN 0.504 nan 8.290 nan 0.000 0.461 150 K N 5.458 125.825 120.400 -0.055 0.000 2.545 150 K HA 0.393 4.713 4.320 -0.001 0.000 0.252 150 K C -1.288 175.167 176.600 -0.242 0.000 0.948 150 K CA -0.689 55.489 56.287 -0.182 0.000 0.827 150 K CB 1.334 33.578 32.500 -0.426 0.000 1.128 150 K HN 0.691 nan 8.250 nan 0.000 0.429 151 I N 6.633 127.110 120.570 -0.154 0.000 2.517 151 I HA -0.016 4.154 4.170 -0.001 0.000 0.285 151 I C 1.163 177.188 176.117 -0.154 0.000 1.106 151 I CA 0.309 61.516 61.300 -0.155 0.000 1.402 151 I CB 0.428 38.362 38.000 -0.111 0.000 1.399 151 I HN 0.723 nan 8.210 nan 0.000 0.535 152 L N 4.604 125.724 121.223 -0.173 0.000 2.590 152 L HA 0.233 4.573 4.340 -0.001 0.000 0.227 152 L C 0.453 177.278 176.870 -0.075 0.000 1.099 152 L CA 0.216 54.981 54.840 -0.126 0.000 0.872 152 L CB 0.207 42.182 42.059 -0.140 0.000 1.088 152 L HN 0.647 nan 8.230 nan 0.000 0.479 153 E N 0.020 120.160 120.200 -0.100 0.000 2.422 153 E HA 0.294 4.643 4.350 -0.001 0.000 0.289 153 E C -1.807 174.722 176.600 -0.119 0.000 0.985 153 E CA -0.479 55.886 56.400 -0.057 0.000 0.812 153 E CB 1.794 31.506 29.700 0.021 0.000 1.226 153 E HN -0.037 nan 8.360 nan 0.000 0.419 154 D N 2.828 123.202 120.400 -0.045 0.000 2.333 154 D HA 0.330 4.970 4.640 -0.001 0.000 0.225 154 D C -1.709 174.607 176.300 0.027 0.000 1.345 154 D CA 0.041 54.011 54.000 -0.051 0.000 0.971 154 D CB 1.005 41.769 40.800 -0.060 0.000 1.451 154 D HN 0.528 nan 8.370 nan 0.000 0.561 155 T N -0.458 114.149 114.554 0.088 0.000 2.843 155 T HA 0.736 5.085 4.350 -0.001 0.000 0.302 155 T C -0.397 174.379 174.700 0.127 0.000 1.232 155 T CA -0.722 61.447 62.100 0.116 0.000 1.009 155 T CB 1.482 70.447 68.868 0.162 0.000 1.254 155 T HN 0.054 nan 8.240 nan 0.000 0.504 156 S N 0.669 116.416 115.700 0.077 0.000 2.616 156 S HA 0.684 5.154 4.470 -0.001 0.000 0.277 156 S C 0.378 174.979 174.600 0.003 0.000 1.234 156 S CA -0.640 57.587 58.200 0.046 0.000 1.028 156 S CB 0.904 64.112 63.200 0.014 0.000 0.988 156 S HN 1.114 nan 8.310 nan 0.000 0.522 157 A N 2.763 125.528 122.820 -0.092 0.000 2.410 157 A HA 0.255 4.575 4.320 -0.001 0.000 0.292 157 A C 0.381 177.815 177.584 -0.250 0.000 1.232 157 A CA -0.271 51.539 52.037 -0.379 0.000 0.893 157 A CB -0.310 18.268 19.000 -0.703 0.000 1.131 157 A HN 0.778 nan 8.150 nan 0.000 0.530 158 R N 2.717 123.104 120.500 -0.190 0.000 4.154 158 R HA 0.203 4.543 4.340 -0.001 0.000 0.186 158 R C -0.740 175.483 176.300 -0.128 0.000 1.750 158 R CA 0.208 56.239 56.100 -0.114 0.000 1.431 158 R CB -0.472 29.790 30.300 -0.063 0.000 1.383 158 R HN 0.647 nan 8.270 nan 0.000 0.788 159 L N 1.786 122.921 121.223 -0.146 0.000 2.322 159 L HA 0.452 4.792 4.340 -0.001 0.000 0.279 159 L C -1.590 175.244 176.870 -0.061 0.000 1.036 159 L CA -2.316 52.458 54.840 -0.110 0.000 0.807 159 L CB 1.094 43.080 42.059 -0.122 0.000 1.226 159 L HN 0.146 nan 8.230 nan 0.000 0.433 160 P HA 0.066 nan 4.420 nan 0.000 0.272 160 P C -0.089 177.191 177.300 -0.033 0.000 1.243 160 P CA -0.325 62.757 63.100 -0.030 0.000 0.803 160 P CB 0.323 32.011 31.700 -0.020 0.000 0.974 161 G N -0.316 108.466 108.800 -0.030 0.000 2.537 161 G HA2 0.217 4.177 3.960 -0.001 0.000 0.273 161 G HA3 0.217 4.177 3.960 -0.001 0.000 0.273 161 G C 0.724 175.600 174.900 -0.040 0.000 1.189 161 G CA -0.470 44.608 45.100 -0.035 0.000 0.881 161 G HN 0.606 nan 8.290 nan 0.000 0.535 162 K N -0.787 119.581 120.400 -0.052 0.000 2.211 162 K HA -0.004 4.316 4.320 -0.001 0.000 0.203 162 K C 0.658 177.233 176.600 -0.043 0.000 1.050 162 K CA 1.389 57.639 56.287 -0.061 0.000 0.945 162 K CB 0.205 32.652 32.500 -0.088 0.000 0.732 162 K HN 0.255 nan 8.250 nan 0.000 0.451 163 D N 1.434 121.814 120.400 -0.034 0.000 2.340 163 D HA 0.016 4.655 4.640 -0.001 0.000 0.217 163 D C -0.544 175.744 176.300 -0.020 0.000 1.081 163 D CA 0.065 54.050 54.000 -0.025 0.000 0.842 163 D CB -0.032 40.754 40.800 -0.023 0.000 0.934 163 D HN 0.250 nan 8.370 nan 0.000 0.511 164 D N 0.258 120.646 120.400 -0.020 0.000 2.389 164 D HA 0.010 4.649 4.640 -0.001 0.000 0.247 164 D C -1.458 174.835 176.300 -0.011 0.000 1.128 164 D CA -1.591 52.399 54.000 -0.015 0.000 0.884 164 D CB 1.949 42.739 40.800 -0.016 0.000 1.194 164 D HN -0.105 nan 8.370 nan 0.000 0.441 165 P HA -0.155 nan 4.420 nan 0.000 0.217 165 P C 0.731 178.029 177.300 -0.004 0.000 1.158 165 P CA 1.503 64.599 63.100 -0.006 0.000 0.887 165 P CB 0.093 31.789 31.700 -0.006 0.000 0.792 166 S N -2.015 113.683 115.700 -0.004 0.000 2.537 166 S HA 0.246 4.716 4.470 -0.001 0.000 0.246 166 S C 1.514 176.116 174.600 0.002 0.000 1.036 166 S CA -0.658 57.542 58.200 -0.000 0.000 1.041 166 S CB -0.214 62.985 63.200 -0.001 0.000 0.799 166 S HN -0.149 nan 8.310 nan 0.000 0.456 167 R N 2.355 122.855 120.500 0.001 0.000 2.082 167 R HA -0.024 4.315 4.340 -0.001 0.000 0.228 167 R C 1.951 178.264 176.300 0.021 0.000 1.140 167 R CA 1.924 58.027 56.100 0.005 0.000 0.920 167 R CB -1.027 29.270 30.300 -0.005 0.000 0.828 167 R HN 0.670 nan 8.270 nan 0.000 0.430 168 E N 0.434 120.646 120.200 0.020 0.000 2.108 168 E HA -0.288 4.062 4.350 -0.001 0.000 0.203 168 E C 1.919 178.539 176.600 0.032 0.000 1.022 168 E CA 1.757 58.175 56.400 0.030 0.000 0.823 168 E CB -0.123 29.589 29.700 0.021 0.000 0.744 168 E HN 0.388 nan 8.360 nan 0.000 0.456 169 Q N -0.271 119.542 119.800 0.021 0.000 2.291 169 Q HA -0.181 4.159 4.340 -0.001 0.000 0.206 169 Q C 1.592 177.607 176.000 0.026 0.000 0.976 169 Q CA 0.989 56.804 55.803 0.019 0.000 0.875 169 Q CB 0.238 28.982 28.738 0.011 0.000 0.927 169 Q HN 0.201 nan 8.270 nan 0.000 0.450 170 E N -0.733 119.486 120.200 0.031 0.000 2.216 170 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 170 E C 2.030 178.673 176.600 0.072 0.000 0.973 170 E CA 0.394 56.815 56.400 0.035 0.000 0.851 170 E CB 0.280 29.989 29.700 0.014 0.000 0.804 170 E HN 0.166 nan 8.360 nan 0.000 0.477 171 V N 1.996 121.967 119.914 0.094 0.000 2.427 171 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 171 V C 2.681 178.859 176.094 0.140 0.000 1.051 171 V CA 2.446 64.847 62.300 0.169 0.000 1.048 171 V CB -0.797 31.142 31.823 0.192 0.000 0.666 171 V HN 0.387 nan 8.190 nan 0.000 0.456 172 E N 0.312 120.559 120.200 0.078 0.000 2.110 172 E HA -0.294 4.056 4.350 -0.001 0.000 0.193 172 E C 2.104 178.721 176.600 0.029 0.000 0.988 172 E CA 1.665 58.088 56.400 0.039 0.000 0.804 172 E CB -0.527 29.187 29.700 0.024 0.000 0.745 172 E HN 0.710 nan 8.360 nan 0.000 0.458 173 K N -1.374 119.054 120.400 0.046 0.000 2.148 173 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 173 K C 2.133 178.770 176.600 0.062 0.000 1.050 173 K CA 1.230 57.539 56.287 0.037 0.000 0.942 173 K CB -0.294 32.226 32.500 0.034 0.000 0.724 173 K HN 0.637 nan 8.250 nan 0.000 0.446 174 Y N 1.338 121.600 120.300 -0.062 0.000 2.114 174 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 174 Y C 2.237 178.044 175.900 -0.155 0.000 1.143 174 Y CA 1.329 59.369 58.100 -0.100 0.000 1.135 174 Y CB -0.010 38.411 38.460 -0.064 0.000 0.980 174 Y HN -0.062 nan 8.280 nan 0.000 0.499 175 V N -1.402 118.388 119.914 -0.206 0.000 2.343 175 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 175 V C 1.677 177.625 176.094 -0.244 0.000 1.051 175 V CA 2.320 64.426 62.300 -0.323 0.000 1.036 175 V CB -0.835 30.868 31.823 -0.200 0.000 0.654 175 V HN 0.318 nan 8.190 nan 0.000 0.451 176 D N 0.174 120.489 120.400 -0.141 0.000 2.149 176 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 176 D C 2.329 178.542 176.300 -0.145 0.000 0.990 176 D CA 1.714 55.647 54.000 -0.113 0.000 0.839 176 D CB -0.312 40.450 40.800 -0.063 0.000 0.948 176 D HN 0.499 nan 8.370 nan 0.000 0.460 177 R N 0.112 120.508 120.500 -0.173 0.000 2.066 177 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 177 R C 2.151 178.247 176.300 -0.341 0.000 1.131 177 R CA 1.206 57.192 56.100 -0.191 0.000 0.955 177 R CB -0.141 30.080 30.300 -0.131 0.000 0.851 177 R HN 0.117 nan 8.270 nan 0.000 0.432 178 A N 0.945 123.418 122.820 -0.578 0.000 1.841 178 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 178 A C 2.356 179.734 177.584 -0.343 0.000 1.199 178 A CA 2.029 53.563 52.037 -0.838 0.000 0.621 178 A CB -1.136 17.317 19.000 -0.911 0.000 0.835 178 A HN 0.494 nan 8.150 nan 0.000 0.445 179 A N -0.660 122.017 122.820 -0.238 0.000 1.927 179 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 179 A C 2.395 179.932 177.584 -0.079 0.000 1.185 179 A CA 3.603 55.568 52.037 -0.120 0.000 0.639 179 A CB -1.129 17.808 19.000 -0.106 0.000 0.820 179 A HN 0.857 nan 8.150 nan 0.000 0.451 180 K N -0.492 119.852 120.400 -0.093 0.000 2.025 180 K HA -0.103 4.216 4.320 -0.001 0.000 0.207 180 K C 2.176 178.760 176.600 -0.027 0.000 1.049 180 K CA 1.908 58.163 56.287 -0.054 0.000 0.933 180 K CB -0.626 31.840 32.500 -0.057 0.000 0.714 180 K HN 0.423 nan 8.250 nan 0.000 0.438 181 R N 0.497 120.977 120.500 -0.032 0.000 2.096 181 R HA 0.030 4.369 4.340 -0.001 0.000 0.240 181 R C 2.247 178.593 176.300 0.077 0.000 1.139 181 R CA 1.826 57.951 56.100 0.042 0.000 0.952 181 R CB -0.772 29.584 30.300 0.093 0.000 0.854 181 R HN 0.594 nan 8.270 nan 0.000 0.436 182 I N -0.619 120.000 120.570 0.082 0.000 2.099 182 I HA -0.299 3.871 4.170 -0.001 0.000 0.239 182 I C 2.117 178.253 176.117 0.032 0.000 1.066 182 I CA 1.420 62.761 61.300 0.069 0.000 1.324 182 I CB -0.433 37.604 38.000 0.062 0.000 1.037 182 I HN -0.014 nan 8.210 nan 0.000 0.401 183 V N 0.645 120.567 119.914 0.013 0.000 2.469 183 V HA -0.303 3.817 4.120 -0.001 0.000 0.251 183 V C 2.377 178.480 176.094 0.016 0.000 1.064 183 V CA 1.912 64.216 62.300 0.007 0.000 1.066 183 V CB -0.657 31.162 31.823 -0.006 0.000 0.667 183 V HN 0.432 nan 8.190 nan 0.000 0.461 184 E N -0.489 119.723 120.200 0.020 0.000 2.028 184 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 184 E C 2.362 178.988 176.600 0.043 0.000 0.988 184 E CA 1.254 57.668 56.400 0.023 0.000 0.799 184 E CB -0.038 29.675 29.700 0.023 0.000 0.755 184 E HN 0.562 nan 8.360 nan 0.000 0.447 185 E N 0.006 120.246 120.200 0.066 0.000 2.158 185 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 185 E C 1.957 178.649 176.600 0.153 0.000 0.982 185 E CA 0.681 57.162 56.400 0.135 0.000 0.823 185 E CB -0.049 29.705 29.700 0.091 0.000 0.766 185 E HN 0.209 nan 8.360 nan 0.000 0.468 186 A N 1.625 124.487 122.820 0.070 0.000 1.978 186 A HA -0.104 4.215 4.320 -0.001 0.000 0.220 186 A C 2.378 180.002 177.584 0.065 0.000 1.170 186 A CA 1.922 53.992 52.037 0.056 0.000 0.636 186 A CB -0.388 18.627 19.000 0.025 0.000 0.810 186 A HN 0.262 nan 8.150 nan 0.000 0.448 187 A N -0.433 122.417 122.820 0.049 0.000 1.874 187 A HA -0.054 4.266 4.320 -0.001 0.000 0.214 187 A C 2.210 179.802 177.584 0.013 0.000 1.189 187 A CA 1.489 53.542 52.037 0.026 0.000 0.615 187 A CB -0.464 18.543 19.000 0.012 0.000 0.830 187 A HN 0.519 nan 8.150 nan 0.000 0.443 188 R N -1.087 119.415 120.500 0.003 0.000 2.105 188 R HA -0.183 4.157 4.340 -0.001 0.000 0.239 188 R C 1.144 177.309 176.300 -0.225 0.000 1.135 188 R CA 1.932 57.965 56.100 -0.111 0.000 0.967 188 R CB -0.275 29.936 30.300 -0.147 0.000 0.861 188 R HN 0.685 nan 8.270 nan 0.000 0.442 189 H N -0.584 118.483 119.070 -0.005 0.000 2.549 189 H HA 0.315 4.871 4.556 -0.001 0.000 0.279 189 H C -0.314 175.029 175.328 0.024 0.000 1.018 189 H CA 0.006 56.063 56.048 0.014 0.000 1.175 189 H CB 0.465 30.223 29.762 -0.007 0.000 1.485 189 H HN 0.097 nan 8.280 nan 0.000 0.543 190 R N 0.388 120.942 120.500 0.089 0.000 3.264 190 R HA -0.133 4.207 4.340 -0.001 0.000 0.251 190 R C -0.788 175.553 176.300 0.068 0.000 0.971 190 R CA 0.439 56.576 56.100 0.062 0.000 0.658 190 R CB -2.355 27.973 30.300 0.047 0.000 1.095 190 R HN 0.163 nan 8.270 nan 0.000 0.443 191 S N 1.311 117.052 115.700 0.068 0.000 2.537 191 S HA 0.295 4.764 4.470 -0.001 0.000 0.275 191 S C -0.842 173.773 174.600 0.025 0.000 1.272 191 S CA -1.177 57.049 58.200 0.043 0.000 1.050 191 S CB 1.501 64.717 63.200 0.028 0.000 0.961 191 S HN 0.208 nan 8.310 nan 0.000 0.496 192 P HA 0.313 nan 4.420 nan 0.000 0.257 192 P C -0.288 177.014 177.300 0.003 0.000 1.241 192 P CA 0.366 63.472 63.100 0.010 0.000 0.816 192 P CB 0.309 32.015 31.700 0.009 0.000 1.150 193 I N 0.142 120.712 120.570 -0.000 0.000 2.498 193 I HA 0.581 4.751 4.170 -0.001 0.000 0.290 193 I C -0.641 175.468 176.117 -0.013 0.000 1.032 193 I CA -1.190 60.105 61.300 -0.007 0.000 1.073 193 I CB 2.405 40.399 38.000 -0.011 0.000 1.251 193 I HN -0.198 nan 8.210 nan 0.000 0.426 194 A N 6.176 128.987 122.820 -0.015 0.000 2.343 194 A HA 0.758 5.078 4.320 -0.001 0.000 0.308 194 A C -0.965 176.606 177.584 -0.022 0.000 1.092 194 A CA -0.499 51.526 52.037 -0.020 0.000 0.751 194 A CB 1.444 20.436 19.000 -0.013 0.000 1.203 194 A HN 0.407 nan 8.150 nan 0.000 0.452 195 V N 3.960 123.856 119.914 -0.030 0.000 2.394 195 V HA 0.407 4.527 4.120 -0.001 0.000 0.282 195 V C -0.265 175.811 176.094 -0.030 0.000 1.031 195 V CA -0.127 62.155 62.300 -0.029 0.000 0.881 195 V CB 1.094 32.897 31.823 -0.035 0.000 0.982 195 V HN 0.714 nan 8.190 nan 0.000 0.451 196 I N 4.610 125.166 120.570 -0.023 0.000 2.382 196 I HA 0.721 4.891 4.170 -0.001 0.000 0.285 196 I C 0.357 176.461 176.117 -0.022 0.000 1.007 196 I CA -0.273 61.016 61.300 -0.017 0.000 1.142 196 I CB 1.549 39.543 38.000 -0.011 0.000 1.289 196 I HN 0.686 nan 8.210 nan 0.000 0.453 197 A N 4.655 127.460 122.820 -0.026 0.000 2.309 197 A HA 1.045 5.364 4.320 -0.001 0.000 0.317 197 A C 0.070 177.640 177.584 -0.022 0.000 1.134 197 A CA -0.345 51.676 52.037 -0.025 0.000 0.866 197 A CB 1.601 20.582 19.000 -0.031 0.000 1.329 197 A HN 0.958 nan 8.150 nan 0.000 0.477 198 G N -1.091 107.697 108.800 -0.019 0.000 2.326 198 G HA2 0.370 4.329 3.960 -0.001 0.000 0.413 198 G HA3 0.370 4.329 3.960 -0.001 0.000 0.413 198 G C -3.579 171.313 174.900 -0.012 0.000 1.444 198 G CA -0.386 44.704 45.100 -0.017 0.000 1.002 198 G HN 0.709 nan 8.290 nan 0.000 0.649 199 P HA 0.532 nan 4.420 nan 0.000 0.285 199 P C 1.027 178.334 177.300 0.011 0.000 1.259 199 P CA 1.454 64.562 63.100 0.014 0.000 0.794 199 P CB 1.315 33.037 31.700 0.037 0.000 0.940 200 G N 3.541 112.352 108.800 0.020 0.000 2.598 200 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.244 200 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.244 200 G C 0.687 175.590 174.900 0.004 0.000 1.302 200 G CA 0.281 45.398 45.100 0.029 0.000 0.903 200 G HN 0.459 nan 8.290 nan 0.000 0.575 201 Q N -0.588 119.224 119.800 0.020 0.000 2.369 201 Q HA 0.283 4.623 4.340 -0.001 0.000 0.206 201 Q C 2.825 178.803 176.000 -0.037 0.000 0.963 201 Q CA 0.926 56.732 55.803 0.005 0.000 0.894 201 Q CB -0.072 28.689 28.738 0.038 0.000 0.965 201 Q HN 0.524 nan 8.270 nan 0.000 0.475 202 L N 0.699 121.864 121.223 -0.096 0.000 1.994 202 L HA -0.258 4.082 4.340 -0.001 0.000 0.208 202 L C 2.298 179.088 176.870 -0.132 0.000 1.071 202 L CA 1.762 56.502 54.840 -0.166 0.000 0.745 202 L CB -0.438 41.425 42.059 -0.327 0.000 0.892 202 L HN 0.284 nan 8.230 nan 0.000 0.431 203 K N -1.055 119.284 120.400 -0.101 0.000 2.152 203 K HA -0.226 4.093 4.320 -0.001 0.000 0.206 203 K C 1.888 178.453 176.600 -0.059 0.000 1.048 203 K CA 1.993 58.237 56.287 -0.072 0.000 0.933 203 K CB -0.729 31.744 32.500 -0.045 0.000 0.721 203 K HN 0.248 nan 8.250 nan 0.000 0.447 204 T N -0.483 114.042 114.554 -0.048 0.000 2.942 204 T HA 0.001 4.351 4.350 -0.001 0.000 0.265 204 T C 1.884 176.559 174.700 -0.041 0.000 1.062 204 T CA 1.302 63.380 62.100 -0.036 0.000 1.139 204 T CB -0.295 68.559 68.868 -0.022 0.000 0.883 204 T HN 0.314 nan 8.240 nan 0.000 0.468 205 S N 0.873 116.542 115.700 -0.050 0.000 2.382 205 S HA -0.047 4.423 4.470 -0.001 0.000 0.228 205 S C 2.085 176.641 174.600 -0.073 0.000 1.027 205 S CA 1.257 59.425 58.200 -0.054 0.000 0.991 205 S CB -0.491 62.676 63.200 -0.054 0.000 0.823 205 S HN 0.426 nan 8.310 nan 0.000 0.469 206 V N 2.086 121.942 119.914 -0.097 0.000 2.307 206 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 206 V C 2.713 178.766 176.094 -0.069 0.000 1.045 206 V CA 1.655 63.890 62.300 -0.109 0.000 1.024 206 V CB -1.307 30.437 31.823 -0.133 0.000 0.651 206 V HN 0.536 nan 8.190 nan 0.000 0.449 207 A N -0.227 122.562 122.820 -0.051 0.000 1.883 207 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 207 A C 2.162 179.727 177.584 -0.031 0.000 1.186 207 A CA 2.127 54.143 52.037 -0.034 0.000 0.624 207 A CB -0.603 18.380 19.000 -0.028 0.000 0.822 207 A HN 0.627 nan 8.150 nan 0.000 0.444 208 E N -0.584 119.596 120.200 -0.032 0.000 2.118 208 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 208 E C 2.109 178.692 176.600 -0.028 0.000 0.992 208 E CA 1.558 57.942 56.400 -0.026 0.000 0.804 208 E CB -0.124 29.561 29.700 -0.024 0.000 0.741 208 E HN 0.609 nan 8.360 nan 0.000 0.458 209 K N 0.167 120.545 120.400 -0.038 0.000 2.062 209 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 209 K C 2.114 178.694 176.600 -0.035 0.000 1.051 209 K CA 0.726 56.989 56.287 -0.040 0.000 0.941 209 K CB 0.057 32.523 32.500 -0.055 0.000 0.719 209 K HN -0.065 nan 8.250 nan 0.000 0.440 210 V N 1.551 121.444 119.914 -0.036 0.000 2.282 210 V HA -0.307 3.813 4.120 -0.001 0.000 0.249 210 V C 2.428 178.511 176.094 -0.018 0.000 1.057 210 V CA 1.706 63.991 62.300 -0.026 0.000 1.032 210 V CB -0.474 31.336 31.823 -0.021 0.000 0.645 210 V HN 0.389 nan 8.190 nan 0.000 0.447 211 Q N -0.332 119.457 119.800 -0.018 0.000 2.096 211 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 211 Q C 2.442 178.435 176.000 -0.012 0.000 0.982 211 Q CA 1.747 57.542 55.803 -0.013 0.000 0.850 211 Q CB -0.410 28.321 28.738 -0.013 0.000 0.901 211 Q HN 0.560 nan 8.270 nan 0.000 0.422 212 R N -0.326 120.165 120.500 -0.015 0.000 2.120 212 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 212 R C 2.001 178.294 176.300 -0.012 0.000 1.123 212 R CA 1.160 57.252 56.100 -0.013 0.000 0.975 212 R CB -0.027 30.264 30.300 -0.016 0.000 0.866 212 R HN 0.219 nan 8.270 nan 0.000 0.446 213 A N -0.119 122.693 122.820 -0.014 0.000 1.935 213 A HA 0.068 4.388 4.320 -0.001 0.000 0.214 213 A C 1.090 178.669 177.584 -0.008 0.000 1.178 213 A CA 0.678 52.707 52.037 -0.012 0.000 0.640 213 A CB 0.243 19.234 19.000 -0.014 0.000 0.825 213 A HN 0.206 nan 8.150 nan 0.000 0.447 214 M N 0.001 119.596 119.600 -0.008 0.000 2.182 214 M HA 0.246 4.726 4.480 -0.001 0.000 0.285 214 M C -2.294 174.003 176.300 -0.005 0.000 0.956 214 M CA -1.661 53.636 55.300 -0.005 0.000 0.878 214 M CB 1.918 34.517 32.600 -0.002 0.000 1.373 214 M HN -0.014 nan 8.290 nan 0.000 0.393 215 P HA -0.105 nan 4.420 nan 0.000 0.220 215 P C 1.098 178.396 177.300 -0.003 0.000 1.148 215 P CA 1.193 64.290 63.100 -0.005 0.000 0.803 215 P CB 0.170 31.867 31.700 -0.004 0.000 0.782 216 S N -2.283 113.416 115.700 -0.002 0.000 2.575 216 S HA 0.111 4.581 4.470 -0.001 0.000 0.215 216 S C 0.623 175.223 174.600 -0.000 0.000 0.966 216 S CA -0.319 57.881 58.200 -0.001 0.000 0.911 216 S CB -0.905 62.296 63.200 0.000 0.000 0.780 216 S HN -0.069 nan 8.310 nan 0.000 0.514 217 L N 2.956 124.178 121.223 -0.001 0.000 2.426 217 L HA 0.391 4.731 4.340 -0.001 0.000 0.271 217 L C 0.162 177.031 176.870 -0.003 0.000 1.169 217 L CA -0.008 54.831 54.840 -0.001 0.000 0.836 217 L CB 0.623 42.682 42.059 -0.001 0.000 1.112 217 L HN 0.181 nan 8.230 nan 0.000 0.465 218 K N 3.690 124.088 120.400 -0.003 0.000 2.312 218 K HA 0.406 4.726 4.320 -0.001 0.000 0.287 218 K C -1.501 175.094 176.600 -0.007 0.000 1.062 218 K CA -0.429 55.855 56.287 -0.005 0.000 0.934 218 K CB 0.565 33.063 32.500 -0.005 0.000 1.027 218 K HN 0.498 nan 8.250 nan 0.000 0.478 219 V N 4.131 124.039 119.914 -0.009 0.000 2.349 219 V HA 0.431 4.551 4.120 -0.001 0.000 0.284 219 V C -0.454 175.633 176.094 -0.012 0.000 1.014 219 V CA -0.857 61.436 62.300 -0.011 0.000 0.826 219 V CB 1.119 32.934 31.823 -0.012 0.000 1.009 219 V HN 0.912 nan 8.190 nan 0.000 0.431 220 A N 3.729 126.541 122.820 -0.013 0.000 2.292 220 A HA 0.816 5.136 4.320 -0.001 0.000 0.319 220 A C 0.370 177.944 177.584 -0.016 0.000 1.206 220 A CA -0.412 51.617 52.037 -0.014 0.000 0.835 220 A CB 0.930 19.921 19.000 -0.014 0.000 1.164 220 A HN 0.844 nan 8.150 nan 0.000 0.505 221 T N -0.329 114.216 114.554 -0.015 0.000 2.867 221 T HA 0.655 5.005 4.350 -0.001 0.000 0.282 221 T C -0.273 174.419 174.700 -0.015 0.000 1.000 221 T CA -0.559 61.531 62.100 -0.016 0.000 1.042 221 T CB 1.004 69.862 68.868 -0.016 0.000 0.973 221 T HN 1.049 nan 8.240 nan 0.000 0.465 222 V N 0.682 120.587 119.914 -0.016 0.000 2.588 222 V HA 0.456 4.576 4.120 -0.001 0.000 0.304 222 V C -0.574 175.512 176.094 -0.012 0.000 1.042 222 V CA -1.292 61.000 62.300 -0.014 0.000 0.877 222 V CB 1.512 33.325 31.823 -0.016 0.000 0.996 222 V HN 0.851 nan 8.190 nan 0.000 0.425 223 D N 2.212 122.608 120.400 -0.008 0.000 2.455 223 D HA 0.461 5.100 4.640 -0.001 0.000 0.241 223 D C 0.120 176.417 176.300 -0.005 0.000 1.138 223 D CA 0.768 54.765 54.000 -0.004 0.000 0.877 223 D CB 1.353 42.153 40.800 -0.000 0.000 1.187 223 D HN 0.729 nan 8.370 nan 0.000 0.451 224 T N -0.245 114.307 114.554 -0.003 0.000 3.097 224 T HA 0.137 4.486 4.350 -0.001 0.000 0.332 224 T C 1.088 175.791 174.700 0.004 0.000 1.269 224 T CA -0.606 61.492 62.100 -0.003 0.000 1.076 224 T CB 1.184 70.045 68.868 -0.011 0.000 1.209 224 T HN 0.250 nan 8.240 nan 0.000 0.474 225 S N 3.130 118.834 115.700 0.007 0.000 2.419 225 S HA -0.009 4.461 4.470 -0.001 0.000 0.235 225 S C 0.897 175.509 174.600 0.019 0.000 1.019 225 S CA 0.772 58.980 58.200 0.014 0.000 0.982 225 S CB -0.530 62.678 63.200 0.013 0.000 0.789 225 S HN 0.791 nan 8.310 nan 0.000 0.490 226 M N -1.532 118.075 119.600 0.012 0.000 2.683 226 M HA 0.787 5.266 4.480 -0.001 0.000 0.274 226 M C 0.027 176.332 176.300 0.008 0.000 1.272 226 M CA -0.808 54.502 55.300 0.017 0.000 0.833 226 M CB 1.153 33.763 32.600 0.016 0.000 1.708 226 M HN 0.008 nan 8.290 nan 0.000 0.463 227 G N -0.358 108.454 108.800 0.019 0.000 2.736 227 G HA2 0.718 4.678 3.960 -0.001 0.000 0.229 227 G HA3 0.718 4.678 3.960 -0.001 0.000 0.229 227 G C 0.183 175.078 174.900 -0.009 0.000 1.380 227 G CA -0.375 44.734 45.100 0.015 0.000 1.040 227 G HN 1.563 nan 8.290 nan 0.000 0.568 228 G N -2.063 106.720 108.800 -0.028 0.000 2.682 228 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.256 228 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.256 228 G C 1.071 175.915 174.900 -0.094 0.000 1.333 228 G CA 0.367 45.426 45.100 -0.068 0.000 0.904 228 G HN 1.323 nan 8.290 nan 0.000 0.569 229 V N 0.602 120.464 119.914 -0.087 0.000 2.490 229 V HA -0.060 4.060 4.120 -0.001 0.000 0.250 229 V C 3.301 179.358 176.094 -0.061 0.000 1.061 229 V CA 3.301 65.549 62.300 -0.085 0.000 1.064 229 V CB -1.159 30.622 31.823 -0.070 0.000 0.670 229 V HN 1.513 nan 8.190 nan 0.000 0.461 230 A N 0.270 123.065 122.820 -0.042 0.000 2.066 230 A HA 0.065 4.385 4.320 -0.001 0.000 0.218 230 A C 2.327 179.893 177.584 -0.030 0.000 1.157 230 A CA 1.476 53.496 52.037 -0.029 0.000 0.670 230 A CB -0.723 18.267 19.000 -0.016 0.000 0.804 230 A HN 0.515 nan 8.150 nan 0.000 0.453 231 G N -0.583 108.194 108.800 -0.037 0.000 2.396 231 G HA2 0.001 3.960 3.960 -0.001 0.000 0.214 231 G HA3 0.001 3.960 3.960 -0.001 0.000 0.214 231 G C 1.478 176.348 174.900 -0.051 0.000 1.166 231 G CA 0.994 46.072 45.100 -0.037 0.000 0.793 231 G HN 0.236 nan 8.290 nan 0.000 0.533 232 V N 0.770 120.639 119.914 -0.075 0.000 2.231 232 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 232 V C 2.877 178.934 176.094 -0.062 0.000 1.054 232 V CA 2.293 64.542 62.300 -0.084 0.000 1.015 232 V CB -0.510 31.243 31.823 -0.117 0.000 0.638 232 V HN 0.284 nan 8.190 nan 0.000 0.444 233 R N -0.599 119.868 120.500 -0.054 0.000 2.127 233 R HA -0.216 4.124 4.340 -0.001 0.000 0.238 233 R C 2.404 178.686 176.300 -0.029 0.000 1.134 233 R CA 1.825 57.902 56.100 -0.040 0.000 0.975 233 R CB -0.221 30.059 30.300 -0.033 0.000 0.865 233 R HN 0.697 nan 8.270 nan 0.000 0.447 234 E N -0.198 119.986 120.200 -0.027 0.000 2.112 234 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 234 E C 1.808 178.395 176.600 -0.021 0.000 0.979 234 E CA 0.867 57.255 56.400 -0.019 0.000 0.814 234 E CB 0.007 29.699 29.700 -0.015 0.000 0.762 234 E HN 0.366 nan 8.360 nan 0.000 0.460 235 A N 1.608 124.411 122.820 -0.028 0.000 1.883 235 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 235 A C 2.184 179.751 177.584 -0.027 0.000 1.186 235 A CA 1.138 53.158 52.037 -0.028 0.000 0.624 235 A CB -0.810 18.168 19.000 -0.037 0.000 0.822 235 A HN 0.346 nan 8.150 nan 0.000 0.444 236 L N -1.720 119.484 121.223 -0.032 0.000 2.551 236 L HA -0.129 4.210 4.340 -0.001 0.000 0.230 236 L C 2.420 179.277 176.870 -0.021 0.000 1.163 236 L CA 1.047 55.869 54.840 -0.030 0.000 0.826 236 L CB -0.319 41.719 42.059 -0.035 0.000 0.943 236 L HN 0.319 nan 8.230 nan 0.000 0.452 237 R N -1.330 119.160 120.500 -0.017 0.000 2.365 237 R HA 0.153 4.493 4.340 -0.001 0.000 0.223 237 R C 0.449 176.743 176.300 -0.009 0.000 0.899 237 R CA -0.189 55.905 56.100 -0.011 0.000 1.059 237 R CB 0.438 30.734 30.300 -0.007 0.000 1.086 237 R HN 0.103 nan 8.270 nan 0.000 0.522 238 R N 1.059 121.553 120.500 -0.011 0.000 2.594 238 R HA 0.002 4.342 4.340 -0.001 0.000 0.272 238 R C 0.800 177.095 176.300 -0.008 0.000 1.074 238 R CA -0.058 56.037 56.100 -0.008 0.000 1.105 238 R CB 0.639 30.934 30.300 -0.010 0.000 1.008 238 R HN 0.175 nan 8.270 nan 0.000 0.472 239 E N 1.506 121.703 120.200 -0.005 0.000 2.085 239 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 239 E C 1.583 178.180 176.600 -0.006 0.000 0.994 239 E CA 2.194 58.591 56.400 -0.004 0.000 0.801 239 E CB 0.209 29.907 29.700 -0.002 0.000 0.743 239 E HN 0.667 nan 8.360 nan 0.000 0.453 240 S N 0.058 115.754 115.700 -0.006 0.000 2.359 240 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 240 S C 2.242 176.836 174.600 -0.010 0.000 1.035 240 S CA 1.608 59.803 58.200 -0.007 0.000 1.018 240 S CB -0.787 62.409 63.200 -0.008 0.000 0.876 240 S HN 0.102 nan 8.310 nan 0.000 0.448 241 V N 3.069 122.976 119.914 -0.012 0.000 2.453 241 V HA -0.132 3.988 4.120 -0.001 0.000 0.247 241 V C 3.119 179.203 176.094 -0.016 0.000 1.048 241 V CA 1.948 64.238 62.300 -0.016 0.000 1.049 241 V CB -1.619 30.191 31.823 -0.021 0.000 0.672 241 V HN 0.850 nan 8.190 nan 0.000 0.457 242 T N -1.326 113.221 114.554 -0.013 0.000 2.915 242 T HA -0.193 4.157 4.350 -0.001 0.000 0.269 242 T C 1.932 176.627 174.700 -0.009 0.000 1.071 242 T CA 1.174 63.267 62.100 -0.012 0.000 1.132 242 T CB -0.287 68.576 68.868 -0.009 0.000 0.878 242 T HN 0.421 nan 8.240 nan 0.000 0.479 243 R N 0.607 121.102 120.500 -0.008 0.000 2.062 243 R HA 0.218 4.557 4.340 -0.001 0.000 0.231 243 R C 2.560 178.856 176.300 -0.007 0.000 1.136 243 R CA 1.441 57.538 56.100 -0.006 0.000 0.948 243 R CB -0.542 29.756 30.300 -0.004 0.000 0.845 243 R HN 0.374 nan 8.270 nan 0.000 0.430 244 I N 0.555 121.119 120.570 -0.009 0.000 2.208 244 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 244 I C 1.051 177.161 176.117 -0.012 0.000 1.097 244 I CA 1.021 62.315 61.300 -0.010 0.000 1.363 244 I CB 0.007 38.000 38.000 -0.012 0.000 1.051 244 I HN 0.108 nan 8.210 nan 0.000 0.413 245 L N 0.978 122.193 121.223 -0.015 0.000 2.741 245 L HA 0.113 4.453 4.340 -0.001 0.000 0.237 245 L C 2.083 178.943 176.870 -0.016 0.000 1.178 245 L CA 0.598 55.427 54.840 -0.018 0.000 0.973 245 L CB -0.866 41.177 42.059 -0.026 0.000 1.255 245 L HN 0.253 nan 8.230 nan 0.000 0.498 246 R N -0.554 119.940 120.500 -0.010 0.000 2.200 246 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 246 R C 0.985 177.282 176.300 -0.004 0.000 1.127 246 R CA 1.322 57.418 56.100 -0.007 0.000 0.989 246 R CB -0.256 30.042 30.300 -0.003 0.000 0.869 246 R HN 0.380 nan 8.270 nan 0.000 0.459 247 E N 0.469 120.666 120.200 -0.005 0.000 2.502 247 E HA 0.041 4.391 4.350 -0.001 0.000 0.194 247 E C -0.528 176.069 176.600 -0.005 0.000 1.062 247 E CA -0.160 56.239 56.400 -0.001 0.000 0.867 247 E CB 0.273 29.974 29.700 0.001 0.000 0.888 247 E HN 0.114 nan 8.360 nan 0.000 0.510 248 L N 0.763 121.976 121.223 -0.017 0.000 2.265 248 L HA 0.108 4.448 4.340 -0.001 0.000 0.288 248 L C 1.224 178.079 176.870 -0.025 0.000 1.058 248 L CA 0.345 55.165 54.840 -0.034 0.000 0.809 248 L CB 1.457 43.483 42.059 -0.055 0.000 1.179 248 L HN -0.120 nan 8.230 nan 0.000 0.429 249 S N 3.124 118.816 115.700 -0.013 0.000 2.372 249 S HA -0.234 4.236 4.470 -0.001 0.000 0.227 249 S C 1.820 176.416 174.600 -0.007 0.000 1.044 249 S CA 1.448 59.657 58.200 0.014 0.000 1.050 249 S CB -0.318 62.921 63.200 0.064 0.000 0.901 249 S HN 0.624 nan 8.310 nan 0.000 0.447 250 I N 0.984 121.528 120.570 -0.044 0.000 2.399 250 I HA -0.137 4.032 4.170 -0.001 0.000 0.254 250 I C 1.872 177.969 176.117 -0.033 0.000 1.146 250 I CA 1.035 62.306 61.300 -0.048 0.000 1.412 250 I CB -0.153 37.791 38.000 -0.092 0.000 1.076 250 I HN 0.110 nan 8.210 nan 0.000 0.432 251 V N -0.743 119.152 119.914 -0.031 0.000 2.672 251 V HA -0.115 4.004 4.120 -0.001 0.000 0.242 251 V C 2.269 178.356 176.094 -0.013 0.000 1.059 251 V CA 1.231 63.517 62.300 -0.024 0.000 1.081 251 V CB -0.422 31.385 31.823 -0.027 0.000 0.752 251 V HN 0.438 nan 8.190 nan 0.000 0.472 252 E N 1.217 121.412 120.200 -0.008 0.000 2.097 252 E HA -0.289 4.061 4.350 -0.001 0.000 0.196 252 E C 2.140 178.739 176.600 -0.001 0.000 1.000 252 E CA 1.705 58.104 56.400 -0.001 0.000 0.804 252 E CB -0.204 29.499 29.700 0.005 0.000 0.740 252 E HN 0.545 nan 8.360 nan 0.000 0.454 253 A N 0.799 123.618 122.820 -0.001 0.000 1.978 253 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 253 A C 1.997 179.574 177.584 -0.011 0.000 1.170 253 A CA 1.849 53.883 52.037 -0.005 0.000 0.636 253 A CB -0.569 18.430 19.000 -0.001 0.000 0.810 253 A HN 0.352 nan 8.150 nan 0.000 0.448 254 E N -0.172 120.023 120.200 -0.008 0.000 2.110 254 E HA -0.049 4.300 4.350 -0.001 0.000 0.193 254 E C 1.996 178.596 176.600 -0.001 0.000 0.988 254 E CA 1.376 57.773 56.400 -0.006 0.000 0.804 254 E CB -0.648 29.048 29.700 -0.007 0.000 0.745 254 E HN 0.447 nan 8.360 nan 0.000 0.458 255 G N 0.092 108.892 108.800 0.001 0.000 2.408 255 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.217 255 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.217 255 G C 1.672 176.580 174.900 0.012 0.000 1.150 255 G CA 1.102 46.206 45.100 0.006 0.000 0.776 255 G HN 0.348 nan 8.290 nan 0.000 0.542 256 V N -0.435 119.483 119.914 0.006 0.000 2.453 256 V HA 0.023 4.143 4.120 -0.001 0.000 0.247 256 V C 2.493 178.600 176.094 0.023 0.000 1.048 256 V CA 1.608 63.916 62.300 0.013 0.000 1.049 256 V CB -0.372 31.449 31.823 -0.003 0.000 0.672 256 V HN 0.188 nan 8.190 nan 0.000 0.457 257 L N 2.267 123.484 121.223 -0.010 0.000 2.046 257 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 257 L C 2.689 179.599 176.870 0.066 0.000 1.077 257 L CA 2.780 57.607 54.840 -0.021 0.000 0.747 257 L CB -0.966 41.069 42.059 -0.042 0.000 0.896 257 L HN 0.761 nan 8.230 nan 0.000 0.432 258 E N -1.082 119.145 120.200 0.045 0.000 2.152 258 E HA -0.276 4.074 4.350 -0.001 0.000 0.192 258 E C 1.938 178.569 176.600 0.050 0.000 0.983 258 E CA 1.092 57.520 56.400 0.046 0.000 0.818 258 E CB -0.366 29.349 29.700 0.025 0.000 0.758 258 E HN 0.585 nan 8.360 nan 0.000 0.467 259 E N 0.968 121.201 120.200 0.054 0.000 2.072 259 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 259 E C 1.767 178.401 176.600 0.055 0.000 0.985 259 E CA 1.401 57.827 56.400 0.044 0.000 0.801 259 E CB -0.653 29.072 29.700 0.041 0.000 0.750 259 E HN 0.462 nan 8.360 nan 0.000 0.452 260 F N 0.385 120.291 119.950 -0.073 0.000 2.250 260 F HA -0.079 4.448 4.527 -0.001 0.000 0.301 260 F C 1.591 177.323 175.800 -0.113 0.000 1.077 260 F CA 1.248 59.185 58.000 -0.105 0.000 1.348 260 F CB 0.072 38.974 39.000 -0.162 0.000 1.040 260 F HN 0.063 nan 8.300 nan 0.000 0.509 261 L N -0.423 120.812 121.223 0.019 0.000 2.270 261 L HA 0.004 4.344 4.340 -0.001 0.000 0.210 261 L C 2.491 179.307 176.870 -0.090 0.000 1.104 261 L CA 0.483 55.289 54.840 -0.057 0.000 0.804 261 L CB -0.511 41.586 42.059 0.063 0.000 0.937 261 L HN -0.037 nan 8.230 nan 0.000 0.450 262 R N 0.117 120.580 120.500 -0.061 0.000 2.083 262 R HA -0.159 4.180 4.340 -0.001 0.000 0.237 262 R C 2.432 178.672 176.300 -0.099 0.000 1.137 262 R CA 1.569 57.635 56.100 -0.058 0.000 0.951 262 R CB -0.241 30.038 30.300 -0.035 0.000 0.851 262 R HN 0.310 nan 8.270 nan 0.000 0.434 263 R N 0.139 120.545 120.500 -0.158 0.000 2.066 263 R HA -0.025 4.315 4.340 -0.001 0.000 0.232 263 R C 2.336 178.510 176.300 -0.210 0.000 1.131 263 R CA 1.078 57.072 56.100 -0.176 0.000 0.955 263 R CB -0.261 29.919 30.300 -0.201 0.000 0.851 263 R HN 0.170 nan 8.270 nan 0.000 0.432 264 I N 0.913 121.277 120.570 -0.343 0.000 2.264 264 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 264 I C 2.472 178.519 176.117 -0.116 0.000 1.111 264 I CA 1.466 62.605 61.300 -0.269 0.000 1.382 264 I CB -0.996 36.792 38.000 -0.354 0.000 1.060 264 I HN 0.212 nan 8.210 nan 0.000 0.418 265 A N 0.528 123.290 122.820 -0.097 0.000 1.873 265 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 265 A C 1.936 179.498 177.584 -0.037 0.000 1.186 265 A CA 1.100 53.110 52.037 -0.045 0.000 0.616 265 A CB -0.325 18.655 19.000 -0.033 0.000 0.823 265 A HN 0.196 nan 8.150 nan 0.000 0.442 266 K N 0.715 121.088 120.400 -0.046 0.000 2.668 266 K HA 0.072 4.391 4.320 -0.001 0.000 0.204 266 K C 0.527 177.109 176.600 -0.031 0.000 1.016 266 K CA 0.645 56.912 56.287 -0.033 0.000 1.131 266 K CB -0.597 31.883 32.500 -0.032 0.000 0.891 266 K HN 0.386 nan 8.250 nan 0.000 0.499 267 S N 1.515 117.195 115.700 -0.034 0.000 3.486 267 S HA -0.152 4.317 4.470 -0.001 0.000 0.371 267 S C -0.042 174.543 174.600 -0.025 0.000 1.001 267 S CA 0.390 58.576 58.200 -0.023 0.000 1.164 267 S CB -0.559 62.638 63.200 -0.006 0.000 0.911 267 S HN 0.275 nan 8.310 nan 0.000 0.472 268 R N 1.301 121.773 120.500 -0.047 0.000 2.582 268 R HA 0.281 4.620 4.340 -0.001 0.000 0.271 268 R C 0.773 177.054 176.300 -0.030 0.000 1.078 268 R CA -0.620 55.456 56.100 -0.039 0.000 1.127 268 R CB 0.195 30.460 30.300 -0.058 0.000 1.038 268 R HN 0.275 nan 8.270 nan 0.000 0.500 269 D N 0.484 120.878 120.400 -0.010 0.000 2.342 269 D HA -0.006 4.633 4.640 -0.001 0.000 0.221 269 D C 0.430 176.728 176.300 -0.004 0.000 1.101 269 D CA 0.406 54.408 54.000 0.002 0.000 0.837 269 D CB 0.431 41.242 40.800 0.019 0.000 0.938 269 D HN 0.544 nan 8.370 nan 0.000 0.508 270 T N -1.591 112.951 114.554 -0.021 0.000 3.278 270 T HA 0.259 4.609 4.350 -0.001 0.000 0.251 270 T C 0.633 175.316 174.700 -0.029 0.000 1.039 270 T CA -0.427 61.654 62.100 -0.032 0.000 0.935 270 T CB -0.472 68.380 68.868 -0.027 0.000 1.034 270 T HN -0.057 nan 8.240 nan 0.000 0.575 271 V N -3.300 116.609 119.914 -0.009 0.000 3.141 271 V HA 1.045 5.165 4.120 -0.001 0.000 0.312 271 V C -0.780 175.396 176.094 0.136 0.000 1.157 271 V CA -1.403 60.945 62.300 0.080 0.000 1.041 271 V CB 1.428 33.222 31.823 -0.048 0.000 1.071 271 V HN 0.514 nan 8.190 nan 0.000 0.441 272 A N 1.482 124.461 122.820 0.265 0.000 2.594 272 A HA 1.025 5.344 4.320 -0.001 0.000 0.295 272 A C -1.420 176.348 177.584 0.307 0.000 1.071 272 A CA -0.444 51.680 52.037 0.144 0.000 0.685 272 A CB 1.887 20.904 19.000 0.028 0.000 1.285 272 A HN 2.360 nan 8.150 nan 0.000 0.405 273 Y N -2.205 118.184 120.300 0.149 0.000 2.641 273 Y HA 0.810 5.360 4.550 -0.000 0.000 0.333 273 Y C -0.308 175.662 175.900 0.117 0.000 1.174 273 Y CA -0.483 57.688 58.100 0.119 0.000 1.057 273 Y CB 0.795 39.373 38.460 0.196 0.000 1.322 273 Y HN 1.484 nan 8.280 nan 0.000 0.457 274 T N 2.264 116.973 114.554 0.257 0.000 0.556 274 T HA -0.070 4.280 4.350 -0.001 0.000 0.772 274 T C -2.306 172.433 174.700 0.066 0.000 0.992 274 T CA -0.264 61.925 62.100 0.148 0.000 4.069 274 T CB -0.263 68.658 68.868 0.089 0.000 2.298 274 T HN 0.674 nan 8.240 nan 0.000 0.397 275 P HA -0.114 nan 4.420 nan 0.000 0.216 275 P C 1.540 178.846 177.300 0.011 0.000 1.153 275 P CA 1.824 64.941 63.100 0.028 0.000 0.858 275 P CB -0.122 31.592 31.700 0.023 0.000 0.789 276 G N 0.019 108.823 108.800 0.007 0.000 2.480 276 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.216 276 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.216 276 G C 1.503 176.393 174.900 -0.017 0.000 1.200 276 G CA 0.771 45.868 45.100 -0.006 0.000 0.782 276 G HN 0.258 nan 8.290 nan 0.000 0.554 277 E N -0.227 119.952 120.200 -0.035 0.000 2.070 277 E HA -0.137 4.213 4.350 -0.001 0.000 0.197 277 E C 2.757 179.337 176.600 -0.033 0.000 1.004 277 E CA 1.261 57.627 56.400 -0.057 0.000 0.805 277 E CB -0.203 29.419 29.700 -0.130 0.000 0.744 277 E HN 0.297 nan 8.360 nan 0.000 0.451 278 V N 1.275 121.179 119.914 -0.015 0.000 2.407 278 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 278 V C 2.266 178.355 176.094 -0.009 0.000 1.055 278 V CA 1.244 63.541 62.300 -0.005 0.000 1.049 278 V CB -0.372 31.456 31.823 0.008 0.000 0.662 278 V HN 0.234 nan 8.190 nan 0.000 0.455 279 L N 0.928 122.146 121.223 -0.008 0.000 2.017 279 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 279 L C 2.472 179.338 176.870 -0.007 0.000 1.073 279 L CA 2.376 57.211 54.840 -0.008 0.000 0.745 279 L CB -1.118 40.936 42.059 -0.008 0.000 0.894 279 L HN 0.223 nan 8.230 nan 0.000 0.432 280 A N -0.516 122.298 122.820 -0.009 0.000 1.841 280 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 280 A C 2.260 179.844 177.584 0.000 0.000 1.199 280 A CA 3.069 55.103 52.037 -0.005 0.000 0.621 280 A CB -1.523 17.472 19.000 -0.009 0.000 0.835 280 A HN 0.572 nan 8.150 nan 0.000 0.445 281 V N -2.743 117.166 119.914 -0.008 0.000 2.970 281 V HA 0.134 4.254 4.120 -0.001 0.000 0.260 281 V C 2.360 178.445 176.094 -0.015 0.000 1.100 281 V CA 1.561 63.854 62.300 -0.011 0.000 1.122 281 V CB -1.276 30.525 31.823 -0.037 0.000 0.721 281 V HN 0.561 nan 8.190 nan 0.000 0.483 282 A N 1.131 123.944 122.820 -0.012 0.000 1.898 282 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 282 A C 2.413 180.000 177.584 0.004 0.000 1.181 282 A CA 1.547 53.579 52.037 -0.009 0.000 0.620 282 A CB -0.521 18.474 19.000 -0.009 0.000 0.819 282 A HN 0.532 nan 8.150 nan 0.000 0.442 283 R N -0.698 119.807 120.500 0.007 0.000 2.152 283 R HA -0.031 4.309 4.340 -0.001 0.000 0.232 283 R C 1.699 178.017 176.300 0.029 0.000 1.117 283 R CA 1.438 57.547 56.100 0.014 0.000 0.981 283 R CB -0.431 29.875 30.300 0.010 0.000 0.870 283 R HN 0.567 nan 8.270 nan 0.000 0.451 284 M N -0.207 119.419 119.600 0.042 0.000 2.659 284 M HA 0.096 4.576 4.480 -0.001 0.000 0.243 284 M C 0.964 177.328 176.300 0.106 0.000 1.111 284 M CA 0.810 56.160 55.300 0.083 0.000 1.070 284 M CB 0.269 32.944 32.600 0.125 0.000 1.525 284 M HN 0.355 nan 8.290 nan 0.000 0.517 285 G N 0.831 109.668 108.800 0.062 0.000 2.225 285 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.267 285 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.267 285 G C 0.723 175.654 174.900 0.051 0.000 1.024 285 G CA 0.349 45.485 45.100 0.060 0.000 0.784 285 G HN 0.627 nan 8.290 nan 0.000 0.507 286 A N -1.143 121.660 122.820 -0.028 0.000 2.238 286 A HA 0.601 4.920 4.320 -0.001 0.000 0.210 286 A C 1.134 178.558 177.584 -0.266 0.000 1.179 286 A CA 0.960 52.818 52.037 -0.298 0.000 0.827 286 A CB 0.501 19.267 19.000 -0.390 0.000 0.856 286 A HN 0.956 nan 8.150 nan 0.000 0.488 287 V N 1.413 121.256 119.914 -0.119 0.000 2.385 287 V HA 0.089 4.208 4.120 -0.001 0.000 0.269 287 V C 0.983 177.042 176.094 -0.058 0.000 1.043 287 V CA -0.114 62.136 62.300 -0.083 0.000 0.906 287 V CB 1.239 33.035 31.823 -0.044 0.000 0.995 287 V HN 0.524 nan 8.190 nan 0.000 0.467 288 D N 3.178 123.543 120.400 -0.058 0.000 2.149 288 D HA -0.011 4.629 4.640 -0.001 0.000 0.206 288 D C 0.876 177.167 176.300 -0.014 0.000 0.967 288 D CA 1.390 55.371 54.000 -0.032 0.000 0.848 288 D CB 0.810 41.591 40.800 -0.032 0.000 0.998 288 D HN 0.643 nan 8.370 nan 0.000 0.474 289 T N -1.171 113.376 114.554 -0.011 0.000 2.932 289 T HA 0.493 4.843 4.350 -0.001 0.000 0.318 289 T C -1.707 172.989 174.700 -0.006 0.000 1.265 289 T CA -0.782 61.315 62.100 -0.005 0.000 1.036 289 T CB 1.681 70.549 68.868 0.001 0.000 1.209 289 T HN -0.179 nan 8.240 nan 0.000 0.484 290 V N 5.082 124.990 119.914 -0.009 0.000 2.588 290 V HA 0.756 4.875 4.120 -0.001 0.000 0.304 290 V C -1.228 174.853 176.094 -0.022 0.000 1.042 290 V CA -0.985 61.305 62.300 -0.017 0.000 0.877 290 V CB 1.502 33.317 31.823 -0.013 0.000 0.996 290 V HN 1.022 nan 8.190 nan 0.000 0.425 291 L N 7.433 128.627 121.223 -0.048 0.000 2.341 291 L HA 0.699 5.038 4.340 -0.001 0.000 0.278 291 L C -1.630 175.214 176.870 -0.045 0.000 1.005 291 L CA -0.654 54.158 54.840 -0.047 0.000 0.818 291 L CB 1.592 43.599 42.059 -0.086 0.000 1.259 291 L HN 0.681 nan 8.230 nan 0.000 0.418 292 L N 5.710 126.931 121.223 -0.004 0.000 2.526 292 L HA 0.407 4.746 4.340 -0.001 0.000 0.263 292 L C -1.619 175.280 176.870 0.049 0.000 0.943 292 L CA -0.358 54.490 54.840 0.013 0.000 0.859 292 L CB 2.284 44.349 42.059 0.010 0.000 1.313 292 L HN 0.365 nan 8.230 nan 0.000 0.406 293 V N 5.270 125.217 119.914 0.056 0.000 2.583 293 V HA 0.135 4.255 4.120 -0.001 0.000 0.287 293 V C 1.310 177.464 176.094 0.100 0.000 1.051 293 V CA 0.236 62.590 62.300 0.090 0.000 1.010 293 V CB 1.447 33.317 31.823 0.079 0.000 0.988 293 V HN 0.929 nan 8.190 nan 0.000 0.478 294 D N 3.135 123.623 120.400 0.147 0.000 2.264 294 D HA -0.185 4.454 4.640 -0.001 0.000 0.208 294 D C 1.723 178.103 176.300 0.134 0.000 0.966 294 D CA 1.490 55.559 54.000 0.115 0.000 0.864 294 D CB -0.220 40.655 40.800 0.125 0.000 0.933 294 D HN 0.699 nan 8.370 nan 0.000 0.499 295 T N -0.703 113.928 114.554 0.128 0.000 2.849 295 T HA -0.122 4.227 4.350 -0.001 0.000 0.270 295 T C 2.318 177.085 174.700 0.111 0.000 1.066 295 T CA 0.577 62.748 62.100 0.119 0.000 1.130 295 T CB -0.670 68.253 68.868 0.091 0.000 0.864 295 T HN 0.162 nan 8.240 nan 0.000 0.481 296 L N -0.303 120.968 121.223 0.080 0.000 2.056 296 L HA -0.004 4.335 4.340 -0.001 0.000 0.207 296 L C 2.429 179.308 176.870 0.016 0.000 1.078 296 L CA 0.740 55.608 54.840 0.047 0.000 0.749 296 L CB -0.547 41.533 42.059 0.034 0.000 0.901 296 L HN 0.243 nan 8.230 nan 0.000 0.433 297 L N -0.780 120.443 121.223 -0.000 0.000 2.263 297 L HA -0.241 4.098 4.340 -0.001 0.000 0.216 297 L C 1.820 178.529 176.870 -0.269 0.000 1.111 297 L CA 1.686 56.452 54.840 -0.124 0.000 0.773 297 L CB -1.003 40.971 42.059 -0.142 0.000 0.906 297 L HN 0.347 nan 8.230 nan 0.000 0.439 298 H N -2.704 116.353 119.070 -0.022 0.000 2.567 298 H HA 0.256 4.812 4.556 -0.001 0.000 0.267 298 H C 0.647 175.974 175.328 -0.002 0.000 1.148 298 H CA -0.205 55.835 56.048 -0.014 0.000 1.031 298 H CB 0.729 30.486 29.762 -0.008 0.000 1.691 298 H HN 0.079 nan 8.280 nan 0.000 0.588 299 S N 2.444 118.184 115.700 0.067 0.000 2.552 299 S HA -0.001 4.469 4.470 -0.001 0.000 0.289 299 S C -1.192 173.429 174.600 0.035 0.000 1.304 299 S CA -1.055 57.174 58.200 0.048 0.000 1.063 299 S CB 1.028 64.245 63.200 0.027 0.000 0.848 299 S HN 0.172 nan 8.310 nan 0.000 0.499 300 P HA -0.078 nan 4.420 nan 0.000 0.215 300 P C 0.082 177.390 177.300 0.014 0.000 1.153 300 P CA 0.623 63.739 63.100 0.027 0.000 0.853 300 P CB -0.080 31.635 31.700 0.026 0.000 0.788 301 D N 0.391 120.798 120.400 0.012 0.000 2.383 301 D HA -0.069 4.571 4.640 -0.001 0.000 0.275 301 D C 0.255 176.553 176.300 -0.004 0.000 1.344 301 D CA 0.393 54.395 54.000 0.004 0.000 0.984 301 D CB 0.041 40.845 40.800 0.006 0.000 1.104 301 D HN 0.093 nan 8.370 nan 0.000 0.524 302 D N 2.964 123.359 120.400 -0.008 0.000 2.182 302 D HA -0.185 4.454 4.640 -0.001 0.000 0.201 302 D C 1.937 178.224 176.300 -0.022 0.000 0.986 302 D CA 1.390 55.379 54.000 -0.019 0.000 0.847 302 D CB 0.001 40.789 40.800 -0.020 0.000 0.942 302 D HN 0.457 nan 8.370 nan 0.000 0.467 303 A N 0.634 123.445 122.820 -0.015 0.000 1.917 303 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 303 A C 2.387 179.962 177.584 -0.016 0.000 1.182 303 A CA 1.398 53.426 52.037 -0.015 0.000 0.633 303 A CB -0.938 18.057 19.000 -0.009 0.000 0.819 303 A HN 0.187 nan 8.150 nan 0.000 0.448 304 V N -0.112 119.795 119.914 -0.012 0.000 2.270 304 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 304 V C 2.623 178.703 176.094 -0.023 0.000 1.043 304 V CA 2.185 64.479 62.300 -0.010 0.000 1.014 304 V CB -0.825 30.998 31.823 -0.001 0.000 0.645 304 V HN 0.531 nan 8.190 nan 0.000 0.447 305 R N -0.085 120.395 120.500 -0.034 0.000 2.113 305 R HA -0.267 4.073 4.340 -0.001 0.000 0.244 305 R C 2.286 178.549 176.300 -0.061 0.000 1.142 305 R CA 2.289 58.353 56.100 -0.060 0.000 0.953 305 R CB -0.422 29.831 30.300 -0.077 0.000 0.860 305 R HN 0.645 nan 8.270 nan 0.000 0.438 306 E N 0.045 120.214 120.200 -0.051 0.000 2.072 306 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 306 E C 1.977 178.554 176.600 -0.038 0.000 0.985 306 E CA 1.102 57.472 56.400 -0.049 0.000 0.801 306 E CB -0.107 29.567 29.700 -0.043 0.000 0.750 306 E HN 0.371 nan 8.360 nan 0.000 0.452 307 A N 0.764 123.567 122.820 -0.029 0.000 2.015 307 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 307 A C 2.386 179.957 177.584 -0.022 0.000 1.163 307 A CA 0.997 53.021 52.037 -0.021 0.000 0.646 307 A CB -0.325 18.666 19.000 -0.014 0.000 0.806 307 A HN 0.120 nan 8.150 nan 0.000 0.448 308 V N -0.012 119.885 119.914 -0.027 0.000 2.407 308 V HA -0.147 3.973 4.120 -0.001 0.000 0.245 308 V C 2.091 178.163 176.094 -0.036 0.000 1.041 308 V CA 1.849 64.133 62.300 -0.027 0.000 1.040 308 V CB -0.688 31.119 31.823 -0.028 0.000 0.671 308 V HN 0.419 nan 8.190 nan 0.000 0.455 309 D N -0.034 120.336 120.400 -0.048 0.000 2.123 309 D HA -0.152 4.488 4.640 -0.001 0.000 0.196 309 D C 2.308 178.585 176.300 -0.039 0.000 0.992 309 D CA 1.133 55.101 54.000 -0.053 0.000 0.833 309 D CB -0.043 40.716 40.800 -0.068 0.000 0.954 309 D HN 0.344 nan 8.370 nan 0.000 0.455 310 E N 0.505 120.685 120.200 -0.034 0.000 2.028 310 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 310 E C 2.129 178.718 176.600 -0.019 0.000 0.988 310 E CA 0.808 57.193 56.400 -0.025 0.000 0.799 310 E CB -0.348 29.338 29.700 -0.023 0.000 0.755 310 E HN 0.158 nan 8.360 nan 0.000 0.447 311 A N 1.063 123.873 122.820 -0.018 0.000 1.971 311 A HA -0.229 4.090 4.320 -0.001 0.000 0.222 311 A C 2.233 179.809 177.584 -0.014 0.000 1.182 311 A CA 1.542 53.571 52.037 -0.014 0.000 0.649 311 A CB -0.606 18.387 19.000 -0.012 0.000 0.818 311 A HN 0.189 nan 8.150 nan 0.000 0.458 312 L N -1.063 120.149 121.223 -0.019 0.000 2.072 312 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 312 L C 2.526 179.387 176.870 -0.015 0.000 1.079 312 L CA 1.855 56.684 54.840 -0.018 0.000 0.752 312 L CB -0.688 41.355 42.059 -0.027 0.000 0.906 312 L HN 0.438 nan 8.230 nan 0.000 0.436 313 R N -0.813 119.677 120.500 -0.016 0.000 2.080 313 R HA -0.197 4.143 4.340 -0.001 0.000 0.236 313 R C 2.141 178.437 176.300 -0.006 0.000 1.137 313 R CA 1.485 57.578 56.100 -0.011 0.000 0.943 313 R CB -0.290 30.002 30.300 -0.013 0.000 0.846 313 R HN 0.170 nan 8.270 nan 0.000 0.431 314 L N 0.367 121.586 121.223 -0.007 0.000 1.971 314 L HA -0.187 4.153 4.340 -0.001 0.000 0.215 314 L C 2.520 179.389 176.870 -0.001 0.000 1.072 314 L CA 1.534 56.373 54.840 -0.003 0.000 0.758 314 L CB -1.384 40.673 42.059 -0.003 0.000 0.889 314 L HN 0.164 nan 8.230 nan 0.000 0.433 315 V N -0.581 119.330 119.914 -0.005 0.000 2.407 315 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 315 V C 2.558 178.651 176.094 -0.002 0.000 1.055 315 V CA 1.552 63.848 62.300 -0.005 0.000 1.049 315 V CB -0.157 31.660 31.823 -0.009 0.000 0.662 315 V HN 0.483 nan 8.190 nan 0.000 0.455 316 E N 0.984 121.183 120.200 -0.002 0.000 2.007 316 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 316 E C 2.500 179.103 176.600 0.004 0.000 0.999 316 E CA 1.933 58.334 56.400 0.001 0.000 0.811 316 E CB -0.758 28.942 29.700 -0.000 0.000 0.762 316 E HN 0.837 nan 8.360 nan 0.000 0.450 317 S N 0.617 116.320 115.700 0.004 0.000 2.419 317 S HA -0.139 4.331 4.470 -0.001 0.000 0.235 317 S C 1.755 176.361 174.600 0.009 0.000 1.019 317 S CA 1.077 59.281 58.200 0.006 0.000 0.982 317 S CB -0.300 62.903 63.200 0.006 0.000 0.789 317 S HN 0.182 nan 8.310 nan 0.000 0.490 318 M N 0.964 120.569 119.600 0.009 0.000 2.738 318 M HA 0.367 4.847 4.480 -0.001 0.000 0.295 318 M C 1.396 177.704 176.300 0.013 0.000 1.266 318 M CA 0.334 55.642 55.300 0.014 0.000 0.985 318 M CB 0.224 32.834 32.600 0.017 0.000 1.365 318 M HN 0.569 nan 8.290 nan 0.000 0.492 319 G N 0.094 108.900 108.800 0.010 0.000 2.199 319 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.254 319 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.254 319 G C 0.365 175.269 174.900 0.007 0.000 0.982 319 G CA -0.182 44.924 45.100 0.010 0.000 0.632 319 G HN 0.643 nan 8.290 nan 0.000 0.529 320 G N -0.262 108.540 108.800 0.004 0.000 2.562 320 G HA2 0.668 4.627 3.960 -0.001 0.000 0.275 320 G HA3 0.668 4.627 3.960 -0.001 0.000 0.275 320 G C 0.124 175.025 174.900 0.001 0.000 1.196 320 G CA 0.001 45.101 45.100 -0.000 0.000 0.908 320 G HN 1.122 nan 8.290 nan 0.000 0.524 321 R N -1.388 119.113 120.500 0.001 0.000 2.637 321 R HA 0.635 4.975 4.340 -0.001 0.000 0.291 321 R C -0.823 175.479 176.300 0.004 0.000 0.963 321 R CA -0.871 55.232 56.100 0.004 0.000 0.901 321 R CB 2.013 32.318 30.300 0.008 0.000 1.160 321 R HN 0.628 nan 8.270 nan 0.000 0.457 322 V N 2.299 122.216 119.914 0.006 0.000 2.459 322 V HA 0.630 4.749 4.120 -0.001 0.000 0.295 322 V C -0.557 175.550 176.094 0.020 0.000 1.029 322 V CA -0.760 61.544 62.300 0.007 0.000 0.874 322 V CB 1.234 33.057 31.823 -0.000 0.000 0.985 322 V HN 0.835 nan 8.190 nan 0.000 0.438 323 I N 6.454 127.039 120.570 0.025 0.000 2.382 323 I HA 0.485 4.654 4.170 -0.001 0.000 0.286 323 I C -0.421 175.738 176.117 0.070 0.000 1.002 323 I CA -0.486 60.844 61.300 0.049 0.000 1.135 323 I CB 1.733 39.755 38.000 0.036 0.000 1.288 323 I HN 0.501 nan 8.210 nan 0.000 0.448 324 I N 7.478 128.121 120.570 0.123 0.000 2.330 324 I HA 0.455 4.625 4.170 -0.001 0.000 0.289 324 I C 0.065 176.382 176.117 0.334 0.000 1.001 324 I CA -0.557 60.848 61.300 0.174 0.000 1.193 324 I CB 1.225 39.288 38.000 0.104 0.000 1.345 324 I HN 0.517 nan 8.210 nan 0.000 0.461 325 I N 4.712 125.441 120.570 0.264 0.000 2.750 325 I HA 0.687 4.856 4.170 -0.001 0.000 0.308 325 I C -2.749 173.560 176.117 0.321 0.000 1.016 325 I CA -2.797 58.654 61.300 0.253 0.000 1.098 325 I CB 1.789 39.851 38.000 0.104 0.000 1.279 325 I HN 0.166 nan 8.210 nan 0.000 0.454 326 P HA 0.174 nan 4.420 nan 0.000 0.274 326 P C 0.655 178.050 177.300 0.158 0.000 1.231 326 P CA -0.099 63.164 63.100 0.272 0.000 0.790 326 P CB 1.046 32.820 31.700 0.123 0.000 0.951 327 G N 1.070 109.959 108.800 0.149 0.000 2.484 327 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.215 327 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.215 327 G C 0.501 175.442 174.900 0.069 0.000 1.219 327 G CA 0.840 45.999 45.100 0.098 0.000 0.791 327 G HN 0.734 nan 8.290 nan 0.000 0.550 328 D N -0.129 120.310 120.400 0.064 0.000 2.385 328 D HA 0.491 5.130 4.640 -0.001 0.000 0.260 328 D C 0.183 176.504 176.300 0.035 0.000 1.326 328 D CA 0.806 54.832 54.000 0.043 0.000 1.023 328 D CB -0.281 40.543 40.800 0.040 0.000 1.083 328 D HN 0.419 nan 8.370 nan 0.000 0.517 329 S N 1.229 116.945 115.700 0.027 0.000 2.552 329 S HA 0.612 5.082 4.470 -0.001 0.000 0.272 329 S C -2.261 172.345 174.600 0.011 0.000 1.150 329 S CA -0.674 57.536 58.200 0.016 0.000 0.849 329 S CB 2.033 65.246 63.200 0.020 0.000 1.113 329 S HN 0.087 nan 8.310 nan 0.000 0.458 330 P HA 0.005 nan 4.420 nan 0.000 0.211 330 P C 1.429 178.733 177.300 0.007 0.000 1.179 330 P CA 2.247 65.347 63.100 -0.000 0.000 0.910 330 P CB -0.124 31.570 31.700 -0.009 0.000 0.785 331 A N -0.258 122.564 122.820 0.003 0.000 1.902 331 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 331 A C 2.527 180.119 177.584 0.013 0.000 1.181 331 A CA 2.119 54.158 52.037 0.004 0.000 0.623 331 A CB -1.934 17.063 19.000 -0.004 0.000 0.818 331 A HN 0.291 nan 8.150 nan 0.000 0.443 332 G N -0.953 107.861 108.800 0.022 0.000 2.442 332 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.219 332 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.219 332 G C 1.483 176.406 174.900 0.038 0.000 1.141 332 G CA 1.966 47.089 45.100 0.037 0.000 0.763 332 G HN 0.741 nan 8.290 nan 0.000 0.554 333 E N 1.136 121.354 120.200 0.032 0.000 2.097 333 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 333 E C 2.334 178.959 176.600 0.041 0.000 1.000 333 E CA 1.556 57.975 56.400 0.030 0.000 0.804 333 E CB -0.579 29.134 29.700 0.022 0.000 0.740 333 E HN 0.620 nan 8.360 nan 0.000 0.454 334 R N -0.455 120.076 120.500 0.052 0.000 2.320 334 R HA 0.340 4.680 4.340 -0.001 0.000 0.211 334 R C 1.837 178.235 176.300 0.163 0.000 0.931 334 R CA 0.219 56.374 56.100 0.091 0.000 1.071 334 R CB 0.079 30.432 30.300 0.089 0.000 1.025 334 R HN 0.358 nan 8.270 nan 0.000 0.495 335 L N -0.156 121.137 121.223 0.117 0.000 2.585 335 L HA 0.129 4.469 4.340 -0.001 0.000 0.226 335 L C 2.569 179.528 176.870 0.149 0.000 1.113 335 L CA 0.054 54.993 54.840 0.166 0.000 0.876 335 L CB -0.388 41.704 42.059 0.055 0.000 1.072 335 L HN 0.123 nan 8.230 nan 0.000 0.468 336 V N 0.082 120.038 119.914 0.069 0.000 2.287 336 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 336 V C 2.505 178.565 176.094 -0.057 0.000 1.053 336 V CA 2.777 65.085 62.300 0.013 0.000 1.027 336 V CB -0.608 31.214 31.823 -0.002 0.000 0.646 336 V HN 0.495 nan 8.190 nan 0.000 0.447 337 S N -1.980 113.602 115.700 -0.196 0.000 2.720 337 S HA 0.191 4.661 4.470 -0.001 0.000 0.222 337 S C 0.859 175.058 174.600 -0.669 0.000 0.958 337 S CA 0.634 58.577 58.200 -0.429 0.000 0.943 337 S CB -0.570 62.303 63.200 -0.545 0.000 0.779 337 S HN 0.618 nan 8.310 nan 0.000 0.526 338 F N 0.684 120.608 119.950 -0.045 0.000 2.775 338 F HA 0.477 5.003 4.527 -0.001 0.000 0.313 338 F C 1.631 177.485 175.800 0.091 0.000 1.121 338 F CA -0.510 57.468 58.000 -0.037 0.000 1.206 338 F CB 0.416 39.285 39.000 -0.218 0.000 1.052 338 F HN 0.260 nan 8.300 nan 0.000 0.524 339 G N 0.420 109.318 108.800 0.162 0.000 2.166 339 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.260 339 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.260 339 G C 1.416 176.384 174.900 0.113 0.000 0.986 339 G CA 0.458 45.636 45.100 0.131 0.000 0.683 339 G HN 1.298 nan 8.290 nan 0.000 0.527 340 G N -3.193 105.677 108.800 0.116 0.000 2.195 340 G HA2 0.053 4.013 3.960 -0.001 0.000 0.246 340 G HA3 0.053 4.013 3.960 -0.001 0.000 0.246 340 G C 0.297 175.226 174.900 0.049 0.000 0.984 340 G CA 0.730 45.875 45.100 0.076 0.000 0.633 340 G HN 1.921 nan 8.290 nan 0.000 0.525 341 V N 1.416 121.364 119.914 0.057 0.000 2.638 341 V HA 0.806 4.925 4.120 -0.001 0.000 0.306 341 V C 0.256 176.336 176.094 -0.022 0.000 1.052 341 V CA -0.597 61.710 62.300 0.012 0.000 0.885 341 V CB 1.759 33.602 31.823 0.033 0.000 0.999 341 V HN 0.901 nan 8.190 nan 0.000 0.424 342 I N 0.945 121.421 120.570 -0.157 0.000 2.892 342 I HA 1.085 5.254 4.170 -0.001 0.000 0.306 342 I C -0.349 175.691 176.117 -0.128 0.000 1.078 342 I CA -1.018 60.109 61.300 -0.289 0.000 1.032 342 I CB 2.428 39.819 38.000 -1.016 0.000 1.229 342 I HN 0.753 nan 8.210 nan 0.000 0.435 343 A N 4.246 127.070 122.820 0.007 0.000 2.449 343 A HA 0.772 5.092 4.320 -0.001 0.000 0.302 343 A C -1.456 176.201 177.584 0.123 0.000 1.048 343 A CA -0.536 51.527 52.037 0.043 0.000 0.708 343 A CB 1.647 20.664 19.000 0.029 0.000 1.274 343 A HN 0.562 nan 8.150 nan 0.000 0.410 344 L N 2.161 123.425 121.223 0.069 0.000 2.276 344 L HA 0.470 4.810 4.340 -0.001 0.000 0.286 344 L C -0.015 176.849 176.870 -0.010 0.000 1.061 344 L CA 0.053 54.929 54.840 0.059 0.000 0.807 344 L CB 0.727 42.811 42.059 0.042 0.000 1.177 344 L HN 0.614 nan 8.230 nan 0.000 0.429 345 L N 3.701 124.899 121.223 -0.043 0.000 2.344 345 L HA 0.447 4.786 4.340 -0.001 0.000 0.272 345 L C 1.255 178.020 176.870 -0.176 0.000 1.035 345 L CA -0.727 54.025 54.840 -0.147 0.000 0.807 345 L CB 1.371 43.325 42.059 -0.175 0.000 1.237 345 L HN 0.596 nan 8.230 nan 0.000 0.442 346 R N 0.911 121.225 120.500 -0.310 0.000 2.236 346 R HA 0.035 4.374 4.340 -0.001 0.000 0.208 346 R C -0.931 175.327 176.300 -0.072 0.000 1.036 346 R CA 0.808 56.797 56.100 -0.185 0.000 1.001 346 R CB 0.146 30.372 30.300 -0.123 0.000 0.896 346 R HN 0.572 nan 8.270 nan 0.000 0.464 347 Y N -4.550 115.755 120.300 0.009 0.000 2.641 347 Y HA 0.466 5.015 4.550 -0.001 0.000 0.333 347 Y C -3.015 172.888 175.900 0.004 0.000 1.174 347 Y CA -3.737 54.366 58.100 0.005 0.000 1.057 347 Y CB 0.325 38.788 38.460 0.004 0.000 1.322 347 Y HN -0.289 nan 8.280 nan 0.000 0.457 348 P HA 0.118 nan 4.420 nan 0.000 0.263 348 P C -0.865 176.552 177.300 0.195 0.000 1.195 348 P CA 0.047 63.224 63.100 0.129 0.000 0.762 348 P CB 0.700 32.458 31.700 0.096 0.000 0.799 349 V N 6.811 126.787 119.914 0.104 0.000 2.325 349 V HA 0.261 4.380 4.120 -0.001 0.000 0.280 349 V C -2.093 174.030 176.094 0.048 0.000 1.016 349 V CA -2.139 60.222 62.300 0.103 0.000 0.818 349 V CB 1.318 33.189 31.823 0.079 0.000 1.019 349 V HN 0.453 nan 8.190 nan 0.000 0.434 350 P HA 0.015 nan 4.420 nan 0.000 0.269 350 P C -0.243 177.064 177.300 0.012 0.000 1.211 350 P CA 0.108 63.223 63.100 0.025 0.000 0.781 350 P CB 0.544 32.258 31.700 0.024 0.000 0.877 351 Q N 1.335 121.138 119.800 0.005 0.000 2.286 351 Q HA 0.368 4.708 4.340 -0.001 0.000 0.257 351 Q C 1.049 177.048 176.000 -0.002 0.000 0.941 351 Q CA 0.973 56.771 55.803 -0.008 0.000 0.912 351 Q CB 0.381 29.114 28.738 -0.010 0.000 1.192 351 Q HN 0.667 nan 8.270 nan 0.000 0.410 352 E N 1.157 121.353 120.200 -0.006 0.000 3.525 352 E HA -0.134 4.216 4.350 -0.001 0.000 0.173 352 E C 0.668 177.267 176.600 -0.001 0.000 0.593 352 E CA 0.834 57.233 56.400 -0.002 0.000 2.840 352 E CB -1.879 27.823 29.700 0.004 0.000 1.385 352 E HN 0.719 nan 8.360 nan 0.000 0.746 353 A N 1.050 123.872 122.820 0.003 0.000 2.147 353 A HA 0.393 4.713 4.320 -0.001 0.000 0.211 353 A C 1.631 179.218 177.584 0.004 0.000 1.160 353 A CA 0.935 52.977 52.037 0.009 0.000 0.781 353 A CB 0.005 19.019 19.000 0.022 0.000 0.842 353 A HN 0.555 nan 8.150 nan 0.000 0.475 354 R N 0.000 120.494 120.500 -0.010 0.000 2.786 354 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 354 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 354 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 354 R HN 0.000 nan 8.270 nan 0.000 0.535