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 1ccl_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEKY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.664 176.870 -0.343 0.000 1.165 4 L CA 0.000 54.706 54.840 -0.224 0.000 0.813 4 L CB 0.000 41.893 42.059 -0.277 0.000 0.961 5 V N 1.503 121.194 119.914 -0.373 0.000 2.513 5 V HA 0.307 nan 4.120 nan 0.000 0.299 5 V C -1.185 174.586 176.094 -0.537 0.000 1.035 5 V CA -1.197 60.881 62.300 -0.371 0.000 0.889 5 V CB 1.742 33.448 31.823 -0.195 0.000 0.988 5 V HN 0.054 8.073 8.190 -0.286 0.000 0.440 6 H N 5.163 124.023 119.070 -0.349 0.000 2.887 6 H HA 0.283 nan 4.556 nan 0.000 0.300 6 H C -1.412 173.550 175.328 -0.610 0.000 1.038 6 H CA -1.118 54.500 56.048 -0.717 0.000 1.352 6 H CB 1.080 30.048 29.762 -1.323 0.000 1.473 6 H HN 0.468 8.522 8.280 -0.376 0.000 0.503 7 V N 3.672 123.458 119.914 -0.212 0.000 2.465 7 V HA 0.222 nan 4.120 nan 0.000 0.279 7 V C -0.644 175.459 176.094 0.015 0.000 1.045 7 V CA -1.103 61.122 62.300 -0.124 0.000 0.938 7 V CB 0.139 31.931 31.823 -0.051 0.000 0.986 7 V HN 0.518 8.635 8.190 -0.122 0.000 0.467 8 A N 8.413 131.153 122.820 -0.133 0.000 2.492 8 A HA 0.003 nan 4.320 nan 0.000 0.254 8 A C -1.156 176.457 177.584 0.048 0.000 1.091 8 A CA 0.595 52.600 52.037 -0.053 0.000 0.768 8 A CB 0.323 19.157 19.000 -0.275 0.000 1.028 8 A HN 0.684 8.635 8.150 -0.330 0.000 0.498 9 S N 4.638 120.391 115.700 0.088 0.000 2.669 9 S HA 0.077 nan 4.470 nan 0.000 0.315 9 S C -0.625 174.041 174.600 0.110 0.000 1.106 9 S CA -0.748 57.507 58.200 0.090 0.000 1.107 9 S CB 0.730 63.985 63.200 0.093 0.000 0.990 9 S HN 0.052 8.348 8.310 0.095 0.070 0.471 10 V N 6.477 126.468 119.914 0.129 0.000 2.644 10 V HA -0.185 nan 4.120 nan 0.000 0.305 10 V C 0.147 176.366 176.094 0.209 0.000 1.053 10 V CA 0.576 62.992 62.300 0.194 0.000 1.186 10 V CB 0.207 32.149 31.823 0.199 0.000 0.895 10 V HN 0.233 8.490 8.190 0.112 0.000 0.490 11 E N 5.963 126.346 120.200 0.303 0.000 2.465 11 E HA -0.178 nan 4.350 nan 0.000 0.260 11 E C -0.560 176.127 176.600 0.145 0.000 0.980 11 E CA 0.727 57.287 56.400 0.267 0.000 0.927 11 E CB 0.528 30.491 29.700 0.438 0.000 0.934 11 E HN 0.295 8.904 8.360 0.415 0.000 0.459 12 K N 6.494 126.949 120.400 0.092 0.000 2.419 12 K HA -0.301 nan 4.320 nan 0.000 0.282 12 K C 0.368 176.949 176.600 -0.033 0.000 1.056 12 K CA 1.539 57.849 56.287 0.039 0.000 1.035 12 K CB -0.299 32.226 32.500 0.040 0.000 0.921 12 K HN 0.610 8.927 8.250 0.112 0.000 0.472 13 G N 3.676 112.462 108.800 -0.023 0.000 2.157 13 G HA2 -0.289 nan 3.960 nan 0.000 0.248 13 G HA3 -0.289 nan 3.960 nan 0.000 0.248 13 G C -0.139 174.689 174.900 -0.119 0.000 0.979 13 G CA -0.136 44.927 45.100 -0.063 0.000 0.650 13 G HN 0.220 8.522 8.290 0.021 0.000 0.529 14 R N 0.493 120.919 120.500 -0.123 0.000 2.404 14 R HA 0.314 nan 4.340 nan 0.000 0.291 14 R C -0.562 175.761 176.300 0.039 0.000 1.025 14 R CA -1.438 54.523 56.100 -0.232 0.000 0.991 14 R CB 0.839 30.849 30.300 -0.483 0.000 1.053 14 R HN -0.340 7.859 8.270 -0.043 0.045 0.479 15 S N 3.739 119.437 115.700 -0.004 0.000 2.806 15 S HA 0.452 nan 4.470 nan 0.000 0.315 15 S C 0.124 174.819 174.600 0.159 0.000 1.127 15 S CA -1.661 56.644 58.200 0.175 0.000 0.918 15 S CB 2.403 65.664 63.200 0.102 0.000 1.240 15 S HN 0.230 8.767 8.310 -0.162 -0.324 0.552 16 Y N 2.382 122.609 120.300 -0.122 0.000 2.062 16 Y HA -0.506 nan 4.550 nan 0.000 0.276 16 Y C 1.325 177.152 175.900 -0.122 0.000 1.189 16 Y CA 3.853 61.656 58.100 -0.495 0.000 1.130 16 Y CB -0.082 38.112 38.460 -0.444 0.000 0.959 16 Y HN 0.573 8.978 8.280 0.209 0.000 0.499 17 E N -3.330 116.702 120.200 -0.281 0.000 2.118 17 E HA -0.407 nan 4.350 nan 0.000 0.195 17 E C 2.549 179.013 176.600 -0.226 0.000 0.992 17 E CA 3.284 59.510 56.400 -0.290 0.000 0.804 17 E CB -0.865 28.774 29.700 -0.101 0.000 0.741 17 E HN -0.239 8.101 8.360 -0.034 0.000 0.458 18 D N -0.269 120.003 120.400 -0.213 0.000 2.097 18 D HA -0.243 nan 4.640 nan 0.000 0.195 18 D C 2.417 178.620 176.300 -0.162 0.000 0.989 18 D CA 3.306 57.168 54.000 -0.230 0.000 0.827 18 D CB -0.228 40.229 40.800 -0.571 0.000 0.966 18 D HN -0.552 7.698 8.370 -0.199 0.000 0.456 19 F N -0.842 119.116 119.950 0.013 0.000 2.206 19 F HA -0.208 nan 4.527 nan 0.000 0.298 19 F C 1.959 177.529 175.800 -0.383 0.000 1.090 19 F CA 3.128 61.115 58.000 -0.022 0.000 1.323 19 F CB -0.283 38.892 39.000 0.291 0.000 1.028 19 F HN -0.767 7.496 8.300 -0.062 0.000 0.492 20 Q N -0.465 119.199 119.800 -0.227 0.000 2.181 20 Q HA -0.393 nan 4.340 nan 0.000 0.205 20 Q C 2.036 177.888 176.000 -0.247 0.000 0.980 20 Q CA 3.270 58.863 55.803 -0.349 0.000 0.862 20 Q CB -0.638 27.846 28.738 -0.423 0.000 0.905 20 Q HN 0.267 8.391 8.270 -0.243 0.000 0.429 21 K N -0.661 119.612 120.400 -0.211 0.000 2.103 21 K HA -0.254 nan 4.320 nan 0.000 0.204 21 K C 2.370 178.724 176.600 -0.410 0.000 1.052 21 K CA 3.309 59.502 56.287 -0.156 0.000 0.945 21 K CB -0.154 32.361 32.500 0.025 0.000 0.722 21 K HN -0.535 7.500 8.250 -0.199 0.096 0.443 22 V N 0.491 119.982 119.914 -0.705 0.000 2.358 22 V HA -0.345 nan 4.120 nan 0.000 0.246 22 V C 1.728 177.526 176.094 -0.493 0.000 1.047 22 V CA 4.432 66.171 62.300 -0.934 0.000 1.035 22 V CB -1.062 30.259 31.823 -0.835 0.000 0.658 22 V HN -0.602 7.184 8.190 -0.538 0.081 0.452 23 Y N -0.042 119.905 120.300 -0.588 0.000 2.053 23 Y HA -0.631 nan 4.550 nan 0.000 0.277 23 Y C 1.433 177.154 175.900 -0.297 0.000 1.159 23 Y CA 3.676 61.463 58.100 -0.521 0.000 1.125 23 Y CB -0.231 37.765 38.460 -0.774 0.000 0.969 23 Y HN 0.130 8.146 8.280 -0.440 0.000 0.492 24 N N -0.984 117.766 118.700 0.084 0.000 2.060 24 N HA -0.591 nan 4.740 nan 0.000 0.195 24 N C 2.049 177.544 175.510 -0.025 0.000 1.028 24 N CA 3.207 56.296 53.050 0.065 0.000 0.861 24 N CB -0.195 38.325 38.487 0.053 0.000 1.029 24 N HN 0.064 8.489 8.380 0.075 0.000 0.428 25 A N 0.096 122.885 122.820 -0.052 0.000 1.902 25 A HA -0.258 nan 4.320 nan 0.000 0.217 25 A C 2.042 179.569 177.584 -0.095 0.000 1.181 25 A CA 3.039 55.063 52.037 -0.022 0.000 0.623 25 A CB -0.624 18.438 19.000 0.103 0.000 0.818 25 A HN -0.188 7.909 8.150 -0.089 0.000 0.443 26 I N -1.464 119.011 120.570 -0.158 0.000 2.179 26 I HA -0.579 nan 4.170 nan 0.000 0.242 26 I C 1.766 177.842 176.117 -0.067 0.000 1.088 26 I CA 3.986 65.220 61.300 -0.110 0.000 1.357 26 I CB -0.253 37.633 38.000 -0.188 0.000 1.051 26 I HN -0.205 7.876 8.210 -0.214 0.000 0.409 27 A N 0.263 122.971 122.820 -0.187 0.000 1.902 27 A HA -0.264 nan 4.320 nan 0.000 0.217 27 A C 2.138 179.715 177.584 -0.012 0.000 1.181 27 A CA 3.357 55.318 52.037 -0.128 0.000 0.623 27 A CB -0.679 18.228 19.000 -0.155 0.000 0.818 27 A HN 0.269 8.249 8.150 -0.283 0.000 0.443 28 L N -1.912 119.306 121.223 -0.008 0.000 2.056 28 L HA -0.302 nan 4.340 nan 0.000 0.207 28 L C 2.163 179.041 176.870 0.012 0.000 1.078 28 L CA 2.333 57.179 54.840 0.009 0.000 0.749 28 L CB -1.318 40.741 42.059 -0.000 0.000 0.901 28 L HN 0.158 8.371 8.230 -0.028 0.000 0.433 29 K N -0.116 120.272 120.400 -0.020 0.000 2.148 29 K HA -0.260 nan 4.320 nan 0.000 0.204 29 K C 2.559 179.274 176.600 0.191 0.000 1.050 29 K CA 3.296 59.553 56.287 -0.050 0.000 0.942 29 K CB -0.188 32.091 32.500 -0.369 0.000 0.724 29 K HN -0.539 7.681 8.250 -0.050 0.000 0.446 30 L N -1.784 119.619 121.223 0.301 0.000 2.046 30 L HA -0.378 nan 4.340 nan 0.000 0.208 30 L C 1.972 178.943 176.870 0.168 0.000 1.077 30 L CA 2.967 57.964 54.840 0.262 0.000 0.747 30 L CB -0.320 41.804 42.059 0.109 0.000 0.896 30 L HN 0.039 8.413 8.230 0.240 0.000 0.432 31 R N -2.443 118.125 120.500 0.112 0.000 2.081 31 R HA -0.304 nan 4.340 nan 0.000 0.235 31 R C 2.141 178.499 176.300 0.096 0.000 1.131 31 R CA 2.619 58.774 56.100 0.091 0.000 0.960 31 R CB 0.047 30.387 30.300 0.067 0.000 0.856 31 R HN -0.513 7.813 8.270 0.094 0.000 0.436 32 E N -1.625 118.628 120.200 0.089 0.000 2.046 32 E HA -0.190 nan 4.350 nan 0.000 0.190 32 E C 1.999 178.661 176.600 0.104 0.000 0.982 32 E CA 2.374 58.819 56.400 0.076 0.000 0.800 32 E CB 0.249 29.972 29.700 0.037 0.000 0.756 32 E HN -0.381 7.954 8.360 0.081 0.074 0.449 33 D N 0.417 120.914 120.400 0.162 0.000 3.085 33 D HA 0.158 nan 4.640 nan 0.000 0.243 33 D C 0.039 176.462 176.300 0.205 0.000 1.232 33 D CA -0.587 53.545 54.000 0.221 0.000 0.913 33 D CB -1.958 39.054 40.800 0.355 0.000 1.108 33 D HN -0.255 8.226 8.370 0.184 0.000 0.468 34 D N -1.651 118.811 120.400 0.104 0.000 2.350 34 D HA -0.308 nan 4.640 nan 0.000 0.216 34 D C 0.053 176.237 176.300 -0.193 0.000 0.968 34 D CA 2.444 56.468 54.000 0.040 0.000 0.894 34 D CB -0.365 40.493 40.800 0.097 0.000 0.909 34 D HN -0.235 8.096 8.370 0.105 0.102 0.520 35 E N -2.777 117.226 120.200 -0.330 0.000 2.371 35 E HA -0.240 nan 4.350 nan 0.000 0.194 35 E C 0.244 176.521 176.600 -0.538 0.000 1.012 35 E CA -0.110 55.762 56.400 -0.881 0.000 0.860 35 E CB -0.815 28.566 29.700 -0.532 0.000 0.811 35 E HN 0.029 8.252 8.360 -0.121 0.065 0.502 36 Y N 4.072 124.153 120.300 -0.365 0.000 2.805 36 Y HA -0.366 nan 4.550 nan 0.000 0.337 36 Y C -1.091 174.615 175.900 -0.323 0.000 1.252 36 Y CA 1.949 59.824 58.100 -0.375 0.000 1.515 36 Y CB 0.447 38.470 38.460 -0.728 0.000 1.305 36 Y HN -0.953 7.307 8.280 -0.033 0.000 0.600 37 D N 6.562 126.364 120.400 -0.996 0.000 2.737 37 D HA -0.466 nan 4.640 nan 0.000 0.238 37 D C -1.005 175.119 176.300 -0.293 0.000 1.157 37 D CA 1.155 54.728 54.000 -0.712 0.000 0.694 37 D CB -0.814 39.484 40.800 -0.837 0.000 1.021 37 D HN 0.475 8.209 8.370 -1.060 0.000 0.420 38 N N -2.752 115.842 118.700 -0.178 0.000 2.705 38 N HA -0.410 nan 4.740 nan 0.000 0.255 38 N C -0.932 174.660 175.510 0.137 0.000 1.008 38 N CA 1.293 54.358 53.050 0.025 0.000 0.742 38 N CB -1.134 37.373 38.487 0.033 0.000 0.906 38 N HN 0.413 8.672 8.380 -0.203 0.000 0.541 39 Y N -9.129 111.144 120.300 -0.044 0.000 4.668 39 Y HA -0.487 nan 4.550 nan 0.000 0.234 39 Y C 0.267 176.167 175.900 -0.000 0.000 1.056 39 Y CA 1.521 59.618 58.100 -0.005 0.000 2.025 39 Y CB -2.138 36.325 38.460 0.004 0.000 1.613 39 Y HN -0.058 7.867 8.280 -0.422 0.102 0.653 40 I N -2.576 117.995 120.570 0.002 0.000 2.439 40 I HA -0.285 nan 4.170 nan 0.000 0.251 40 I C 0.656 176.793 176.117 0.032 0.000 1.139 40 I CA 1.798 63.112 61.300 0.022 0.000 1.438 40 I CB 0.590 38.586 38.000 -0.005 0.000 1.085 40 I HN -0.759 7.350 8.210 -0.058 0.067 0.427 41 G N -2.494 106.310 108.800 0.007 0.000 2.757 41 G HA2 -0.256 nan 3.960 nan 0.000 0.638 41 G HA3 -0.256 nan 3.960 nan 0.000 0.638 41 G C -0.897 174.033 174.900 0.050 0.000 1.344 41 G CA -0.626 44.503 45.100 0.049 0.000 0.855 41 G HN -0.508 7.747 8.290 -0.058 0.000 0.537 42 Y N -0.440 119.820 120.300 -0.067 0.000 2.466 42 Y HA -0.017 nan 4.550 nan 0.000 0.272 42 Y C 1.279 177.017 175.900 -0.270 0.000 1.169 42 Y CA 1.005 58.922 58.100 -0.306 0.000 1.285 42 Y CB -0.178 37.754 38.460 -0.879 0.000 1.078 42 Y HN 0.419 8.803 8.280 0.174 0.000 0.523 43 G N 0.831 109.615 108.800 -0.027 0.000 2.514 43 G HA2 -0.342 nan 3.960 nan 0.000 0.217 43 G HA3 -0.342 nan 3.960 nan 0.000 0.217 43 G C -1.237 173.684 174.900 0.034 0.000 1.198 43 G CA 2.488 47.578 45.100 -0.017 0.000 0.780 43 G HN 0.625 8.867 8.290 0.007 0.052 0.565 44 P HA -0.233 nan 4.420 nan 0.000 0.214 44 P C 0.910 178.290 177.300 0.132 0.000 1.163 44 P CA 2.893 66.068 63.100 0.125 0.000 0.889 44 P CB -0.544 31.246 31.700 0.151 0.000 0.790 45 V N -3.548 116.438 119.914 0.119 0.000 2.759 45 V HA -0.271 nan 4.120 nan 0.000 0.256 45 V C 1.667 177.790 176.094 0.048 0.000 1.080 45 V CA 2.823 65.183 62.300 0.100 0.000 1.101 45 V CB -0.610 31.286 31.823 0.121 0.000 0.698 45 V HN -0.162 8.104 8.190 0.128 0.000 0.477 46 L N -1.138 120.092 121.223 0.012 0.000 2.109 46 L HA -0.270 nan 4.340 nan 0.000 0.207 46 L C 1.788 178.719 176.870 0.102 0.000 1.086 46 L CA 3.301 58.141 54.840 -0.001 0.000 0.760 46 L CB -0.440 41.563 42.059 -0.093 0.000 0.910 46 L HN -0.442 7.761 8.230 -0.006 0.024 0.437 47 V N -1.266 118.738 119.914 0.151 0.000 2.667 47 V HA -0.367 nan 4.120 nan 0.000 0.252 47 V C 1.279 177.582 176.094 0.348 0.000 1.065 47 V CA 3.434 65.901 62.300 0.279 0.000 1.083 47 V CB -0.759 31.192 31.823 0.213 0.000 0.692 47 V HN 0.002 8.259 8.190 0.112 0.000 0.468 48 R N 0.629 121.288 120.500 0.265 0.000 2.081 48 R HA -0.328 nan 4.340 nan 0.000 0.235 48 R C 1.791 178.151 176.300 0.100 0.000 1.131 48 R CA 3.485 59.756 56.100 0.284 0.000 0.960 48 R CB -0.102 30.288 30.300 0.150 0.000 0.856 48 R HN -0.290 8.104 8.270 0.206 0.000 0.436 49 L N -0.879 120.339 121.223 -0.008 0.000 2.017 49 L HA -0.316 nan 4.340 nan 0.000 0.208 49 L C 1.203 178.039 176.870 -0.057 0.000 1.073 49 L CA 3.098 57.841 54.840 -0.161 0.000 0.745 49 L CB -0.505 41.440 42.059 -0.191 0.000 0.894 49 L HN 0.009 8.147 8.230 0.022 0.105 0.432 50 A N -1.344 121.549 122.820 0.123 0.000 1.933 50 A HA -0.292 nan 4.320 nan 0.000 0.218 50 A C 1.964 179.699 177.584 0.251 0.000 1.175 50 A CA 2.875 55.026 52.037 0.191 0.000 0.628 50 A CB -0.815 18.352 19.000 0.279 0.000 0.814 50 A HN -0.182 8.063 8.150 0.158 0.000 0.444 51 W N -1.154 120.292 121.300 0.244 0.000 2.409 51 W HA -0.394 nan 4.660 nan 0.000 0.299 51 W C 1.323 178.015 176.519 0.290 0.000 1.203 51 W CA 2.961 60.482 57.345 0.294 0.000 1.298 51 W CB 0.118 29.814 29.460 0.393 0.000 1.127 51 W HN -0.264 8.245 8.180 0.548 0.000 0.528 52 H N -0.266 118.473 119.070 -0.551 0.000 2.389 52 H HA -0.376 nan 4.556 nan 0.000 0.299 52 H C 2.514 177.638 175.328 -0.340 0.000 1.081 52 H CA 3.375 59.037 56.048 -0.643 0.000 1.345 52 H CB 0.922 30.408 29.762 -0.459 0.000 1.393 52 H HN -0.280 7.976 8.280 -0.040 0.000 0.520 53 I N -4.722 115.780 120.570 -0.113 0.000 2.546 53 I HA -0.277 nan 4.170 nan 0.000 0.255 53 I C 1.486 177.627 176.117 0.040 0.000 1.163 53 I CA 2.724 64.011 61.300 -0.023 0.000 1.457 53 I CB -0.254 37.760 38.000 0.023 0.000 1.092 53 I HN -0.262 7.873 8.210 -0.125 0.000 0.434 54 S N 1.082 116.806 115.700 0.039 0.000 2.446 54 S HA -0.109 nan 4.470 nan 0.000 0.225 54 S C 2.393 177.061 174.600 0.112 0.000 1.016 54 S CA 3.668 61.919 58.200 0.085 0.000 0.943 54 S CB -0.031 63.239 63.200 0.117 0.000 0.786 54 S HN -0.536 7.798 8.310 0.040 0.000 0.508 55 G N 0.599 109.379 108.800 -0.032 0.000 2.679 55 G HA2 -0.110 nan 3.960 nan 0.000 0.212 55 G HA3 -0.110 nan 3.960 nan 0.000 0.212 55 G C -0.492 174.408 174.900 0.000 0.000 1.137 55 G CA 1.842 46.900 45.100 -0.070 0.000 0.787 55 G HN 0.264 8.449 8.290 -0.175 0.000 0.534 56 T N -2.907 111.659 114.554 0.019 0.000 3.148 56 T HA -0.043 nan 4.350 nan 0.000 0.253 56 T C -0.020 174.762 174.700 0.136 0.000 1.134 56 T CA -0.966 61.170 62.100 0.060 0.000 1.051 56 T CB -0.857 68.051 68.868 0.066 0.000 0.959 56 T HN -0.452 7.728 8.240 0.004 0.062 0.525 57 W N 2.453 123.747 121.300 -0.010 0.000 2.210 57 W HA -0.119 nan 4.660 nan 0.000 0.330 57 W C -1.788 174.706 176.519 -0.042 0.000 1.334 57 W CA 0.398 57.741 57.345 -0.004 0.000 1.227 57 W CB 0.523 29.990 29.460 0.012 0.000 1.178 57 W HN -0.737 7.550 8.180 0.308 0.077 0.560 58 D N 8.755 128.766 120.400 -0.649 0.000 2.440 58 D HA 0.315 nan 4.640 nan 0.000 0.239 58 D C 0.286 175.795 176.300 -1.318 0.000 1.084 58 D CA -1.798 51.745 54.000 -0.763 0.000 0.843 58 D CB 1.826 42.426 40.800 -0.334 0.000 1.097 58 D HN 0.296 8.372 8.370 -0.491 0.000 0.531 59 K N 6.362 125.815 120.400 -1.578 0.000 2.281 59 K HA -0.339 nan 4.320 nan 0.000 0.203 59 K C 1.163 177.355 176.600 -0.679 0.000 1.046 59 K CA 2.195 57.673 56.287 -1.348 0.000 0.938 59 K CB -0.209 31.755 32.500 -0.893 0.000 0.737 59 K HN 0.228 7.649 8.250 -1.381 0.000 0.458 60 H N -0.762 118.074 119.070 -0.390 0.000 2.395 60 H HA -0.124 nan 4.556 nan 0.000 0.299 60 H C 1.143 176.369 175.328 -0.170 0.000 1.070 60 H CA 2.131 58.047 56.048 -0.220 0.000 1.356 60 H CB 0.423 30.078 29.762 -0.180 0.000 1.401 60 H HN -0.184 7.949 8.280 -0.628 -0.230 0.524 61 D N -5.440 114.915 120.400 -0.075 0.000 2.503 61 D HA 0.004 nan 4.640 nan 0.000 0.218 61 D C 0.043 176.307 176.300 -0.059 0.000 1.183 61 D CA -0.881 53.085 54.000 -0.056 0.000 0.827 61 D CB 0.292 41.071 40.800 -0.035 0.000 1.034 61 D HN -0.612 7.669 8.370 -0.148 0.000 0.510 62 N N -2.134 116.505 118.700 -0.103 0.000 2.753 62 N HA -0.452 nan 4.740 nan 0.000 0.251 62 N C -0.916 174.725 175.510 0.218 0.000 1.097 62 N CA 1.313 54.422 53.050 0.099 0.000 0.786 62 N CB -0.785 37.752 38.487 0.084 0.000 1.137 62 N HN -0.153 8.083 8.380 -0.240 0.000 0.566 63 T N -6.096 108.506 114.554 0.079 0.000 2.849 63 T HA 0.271 nan 4.350 nan 0.000 0.284 63 T C -0.200 174.628 174.700 0.213 0.000 1.004 63 T CA -0.981 61.214 62.100 0.158 0.000 1.021 63 T CB 1.756 70.666 68.868 0.070 0.000 1.013 63 T HN -0.700 7.745 8.240 -0.049 -0.235 0.527 64 G N 3.170 112.108 108.800 0.230 0.000 2.645 64 G HA2 -0.475 nan 3.960 nan 0.000 0.239 64 G HA3 -0.475 nan 3.960 nan 0.000 0.239 64 G C -0.788 174.314 174.900 0.336 0.000 1.331 64 G CA -0.364 44.880 45.100 0.240 0.000 0.890 64 G HN 0.355 8.769 8.290 0.207 0.000 0.572 65 G N -1.207 107.764 108.800 0.286 0.000 2.710 65 G HA2 -0.312 nan 3.960 nan 0.000 0.668 65 G HA3 -0.312 nan 3.960 nan 0.000 0.668 65 G C 0.441 175.413 174.900 0.120 0.000 1.320 65 G CA -0.425 44.792 45.100 0.196 0.000 0.860 65 G HN -0.103 8.327 8.290 0.233 0.000 0.538 66 S N 0.330 116.071 115.700 0.070 0.000 2.481 66 S HA -0.222 nan 4.470 nan 0.000 0.231 66 S C 1.507 176.168 174.600 0.101 0.000 0.996 66 S CA 2.447 60.707 58.200 0.101 0.000 0.942 66 S CB 0.244 63.493 63.200 0.082 0.000 0.768 66 S HN 0.497 8.813 8.310 0.010 0.000 0.520 67 Y N 3.875 124.124 120.300 -0.085 0.000 2.069 67 Y HA -0.419 nan 4.550 nan 0.000 0.278 67 Y C 0.776 176.633 175.900 -0.070 0.000 1.175 67 Y CA 3.031 61.050 58.100 -0.135 0.000 1.134 67 Y CB -0.043 38.219 38.460 -0.330 0.000 0.965 67 Y HN 0.021 8.323 8.280 0.113 0.046 0.498 68 G N -6.608 102.234 108.800 0.070 0.000 2.920 68 G HA2 -0.082 nan 3.960 nan 0.000 0.208 68 G HA3 -0.082 nan 3.960 nan 0.000 0.208 68 G C -0.067 174.885 174.900 0.087 0.000 1.159 68 G CA -0.440 44.701 45.100 0.069 0.000 0.784 68 G HN 0.053 8.424 8.290 0.135 0.000 0.535 69 G N 0.005 108.873 108.800 0.114 0.000 2.321 69 G HA2 -0.488 nan 3.960 nan 0.000 0.287 69 G HA3 -0.488 nan 3.960 nan 0.000 0.287 69 G C 0.486 175.540 174.900 0.257 0.000 1.018 69 G CA 1.119 46.341 45.100 0.204 0.000 0.855 69 G HN -0.482 7.797 8.290 0.098 0.071 0.507 70 T N -3.692 111.032 114.554 0.284 0.000 3.113 70 T HA -0.283 nan 4.350 nan 0.000 0.263 70 T C 1.068 175.947 174.700 0.299 0.000 1.143 70 T CA 1.570 63.874 62.100 0.341 0.000 1.090 70 T CB -0.920 68.195 68.868 0.411 0.000 0.922 70 T HN 0.225 8.603 8.240 0.270 0.024 0.521 71 Y N 4.186 124.593 120.300 0.178 0.000 2.315 71 Y HA -0.384 nan 4.550 nan 0.000 0.288 71 Y C 0.059 175.991 175.900 0.053 0.000 1.154 71 Y CA 1.463 59.621 58.100 0.096 0.000 1.229 71 Y CB -0.594 37.830 38.460 -0.059 0.000 0.980 71 Y HN -0.542 7.965 8.280 0.458 0.048 0.540 72 R N -1.972 118.492 120.500 -0.061 0.000 2.193 72 R HA -0.304 nan 4.340 nan 0.000 0.229 72 R C 0.713 176.720 176.300 -0.489 0.000 1.110 72 R CA 1.753 57.665 56.100 -0.314 0.000 0.988 72 R CB -0.285 29.861 30.300 -0.257 0.000 0.871 72 R HN -0.797 7.543 8.270 0.172 0.033 0.458 73 F N -1.153 118.752 119.950 -0.075 0.000 2.384 73 F HA 0.155 nan 4.527 nan 0.000 0.338 73 F C 0.788 176.533 175.800 -0.091 0.000 1.103 73 F CA -1.030 56.924 58.000 -0.077 0.000 1.157 73 F CB 0.412 39.411 39.000 -0.001 0.000 1.167 73 F HN -0.475 7.543 8.300 -0.203 0.161 0.529 74 K N 4.039 124.512 120.400 0.122 0.000 2.034 74 K HA -0.495 nan 4.320 nan 0.000 0.214 74 K C 1.856 178.520 176.600 0.107 0.000 1.051 74 K CA 4.139 60.468 56.287 0.070 0.000 0.931 74 K CB -0.684 31.846 32.500 0.051 0.000 0.715 74 K HN 0.802 9.154 8.250 0.171 0.000 0.446 75 K N -1.568 118.895 120.400 0.104 0.000 2.020 75 K HA -0.400 nan 4.320 nan 0.000 0.212 75 K C 1.654 178.313 176.600 0.098 0.000 1.050 75 K CA 3.498 59.837 56.287 0.086 0.000 0.929 75 K CB -0.249 32.294 32.500 0.070 0.000 0.714 75 K HN 0.038 8.354 8.250 0.109 0.000 0.443 76 E N -2.372 117.906 120.200 0.131 0.000 2.072 76 E HA -0.230 nan 4.350 nan 0.000 0.190 76 E C 2.711 179.379 176.600 0.113 0.000 0.982 76 E CA 2.326 58.812 56.400 0.144 0.000 0.803 76 E CB -0.023 29.800 29.700 0.205 0.000 0.755 76 E HN -0.622 7.834 8.360 0.159 0.000 0.453 77 F N 0.783 120.608 119.950 -0.208 0.000 2.161 77 F HA -0.325 nan 4.527 nan 0.000 0.300 77 F C 0.912 176.625 175.800 -0.145 0.000 1.089 77 F CA 3.315 61.058 58.000 -0.427 0.000 1.282 77 F CB 0.366 39.005 39.000 -0.602 0.000 1.010 77 F HN 0.006 8.358 8.300 0.087 0.000 0.485 78 N N -3.182 115.547 118.700 0.049 0.000 2.322 78 N HA -0.044 nan 4.740 nan 0.000 0.194 78 N C -1.013 174.504 175.510 0.013 0.000 1.126 78 N CA 0.193 53.252 53.050 0.015 0.000 0.845 78 N CB 0.520 39.050 38.487 0.072 0.000 0.976 78 N HN -0.291 8.163 8.380 0.122 0.000 0.475 79 D N 2.793 123.209 120.400 0.027 0.000 2.472 79 D HA 0.066 nan 4.640 nan 0.000 0.248 79 D C -0.173 176.146 176.300 0.031 0.000 1.174 79 D CA -1.426 52.598 54.000 0.039 0.000 0.883 79 D CB 0.614 41.449 40.800 0.058 0.000 1.149 79 D HN -0.634 7.581 8.370 0.038 0.178 0.488 80 P HA -0.275 nan 4.420 nan 0.000 0.218 80 P C 1.423 178.761 177.300 0.063 0.000 1.154 80 P CA 2.462 65.585 63.100 0.039 0.000 0.872 80 P CB 0.212 31.936 31.700 0.039 0.000 0.790 81 S N -2.903 112.842 115.700 0.074 0.000 2.469 81 S HA -0.347 nan 4.470 nan 0.000 0.238 81 S C 0.703 175.431 174.600 0.214 0.000 0.998 81 S CA 2.564 60.836 58.200 0.120 0.000 0.957 81 S CB -0.298 62.927 63.200 0.041 0.000 0.764 81 S HN -0.357 8.178 8.310 0.057 -0.191 0.514 82 N N -0.210 118.578 118.700 0.148 0.000 2.270 82 N HA 0.054 nan 4.740 nan 0.000 0.198 82 N C -1.436 174.079 175.510 0.008 0.000 1.117 82 N CA -0.872 52.257 53.050 0.132 0.000 0.845 82 N CB 0.082 38.653 38.487 0.139 0.000 0.980 82 N HN -0.135 8.125 8.380 0.092 0.176 0.486 83 A N -0.696 122.135 122.820 0.018 0.000 2.545 83 A HA -0.142 nan 4.320 nan 0.000 0.253 83 A C 0.386 177.958 177.584 -0.019 0.000 1.074 83 A CA 1.628 53.656 52.037 -0.014 0.000 0.760 83 A CB -0.688 18.322 19.000 0.016 0.000 1.005 83 A HN -0.431 7.683 8.150 0.057 0.071 0.506 84 G N 3.713 112.486 108.800 -0.046 0.000 2.232 84 G HA2 -0.390 nan 3.960 nan 0.000 0.226 84 G HA3 -0.390 nan 3.960 nan 0.000 0.226 84 G C 0.996 175.883 174.900 -0.022 0.000 0.996 84 G CA 0.713 45.788 45.100 -0.041 0.000 0.626 84 G HN 0.573 9.081 8.290 -0.065 -0.256 0.509 85 L N 1.157 122.348 121.223 -0.054 0.000 2.478 85 L HA -0.301 nan 4.340 nan 0.000 0.223 85 L C 0.778 177.685 176.870 0.061 0.000 1.140 85 L CA 1.698 56.511 54.840 -0.044 0.000 0.842 85 L CB -0.638 41.329 42.059 -0.153 0.000 0.953 85 L HN -0.282 7.827 8.230 -0.076 0.076 0.452 86 Q N -0.830 118.978 119.800 0.013 0.000 2.234 86 Q HA -0.407 nan 4.340 nan 0.000 0.206 86 Q C 2.220 178.390 176.000 0.284 0.000 0.980 86 Q CA 3.549 59.439 55.803 0.145 0.000 0.869 86 Q CB -1.003 27.773 28.738 0.063 0.000 0.912 86 Q HN 0.503 8.676 8.270 -0.076 0.052 0.436 87 N N -0.051 118.768 118.700 0.197 0.000 2.120 87 N HA -0.275 nan 4.740 nan 0.000 0.188 87 N C 2.178 177.805 175.510 0.196 0.000 1.024 87 N CA 2.927 56.107 53.050 0.215 0.000 0.852 87 N CB -0.651 37.965 38.487 0.216 0.000 1.003 87 N HN -0.553 7.895 8.380 0.137 0.014 0.424 88 G N -0.461 108.432 108.800 0.156 0.000 2.403 88 G HA2 -0.230 nan 3.960 nan 0.000 0.216 88 G HA3 -0.230 nan 3.960 nan 0.000 0.216 88 G C 1.015 176.033 174.900 0.196 0.000 1.154 88 G CA 1.553 46.711 45.100 0.097 0.000 0.784 88 G HN -0.371 7.901 8.290 0.137 0.100 0.538 89 F N 2.895 122.938 119.950 0.154 0.000 2.102 89 F HA -0.343 nan 4.527 nan 0.000 0.298 89 F C 1.218 177.142 175.800 0.206 0.000 1.105 89 F CA 3.046 61.200 58.000 0.258 0.000 1.239 89 F CB 0.329 39.603 39.000 0.457 0.000 0.991 89 F HN -0.145 8.402 8.300 0.411 0.000 0.474 90 K N -2.660 117.874 120.400 0.224 0.000 2.147 90 K HA -0.400 nan 4.320 nan 0.000 0.205 90 K C 1.873 178.429 176.600 -0.072 0.000 1.049 90 K CA 2.781 59.094 56.287 0.044 0.000 0.936 90 K CB -0.239 32.349 32.500 0.145 0.000 0.722 90 K HN -0.092 8.401 8.250 0.405 0.000 0.446 91 F N -1.169 118.621 119.950 -0.266 0.000 2.102 91 F HA -0.277 nan 4.527 nan 0.000 0.298 91 F C 0.900 176.518 175.800 -0.303 0.000 1.105 91 F CA 2.853 60.589 58.000 -0.441 0.000 1.239 91 F CB 0.704 39.269 39.000 -0.725 0.000 0.991 91 F HN -0.737 7.600 8.300 0.073 0.007 0.474 92 L N -3.291 117.935 121.223 0.006 0.000 2.217 92 L HA -0.363 nan 4.340 nan 0.000 0.211 92 L C 1.675 178.430 176.870 -0.192 0.000 1.107 92 L CA 2.063 56.867 54.840 -0.061 0.000 0.783 92 L CB -0.410 41.699 42.059 0.083 0.000 0.919 92 L HN -0.446 7.843 8.230 0.099 0.000 0.442 93 E N 0.349 120.378 120.200 -0.286 0.000 2.070 93 E HA -0.277 nan 4.350 nan 0.000 0.197 93 E C -0.986 175.506 176.600 -0.180 0.000 1.004 93 E CA 5.512 61.743 56.400 -0.282 0.000 0.805 93 E CB -1.607 27.875 29.700 -0.363 0.000 0.744 93 E HN -0.290 7.850 8.360 -0.320 0.028 0.451 94 P HA -0.176 nan 4.420 nan 0.000 0.218 94 P C 1.491 178.704 177.300 -0.145 0.000 1.148 94 P CA 2.623 65.618 63.100 -0.175 0.000 0.822 94 P CB -0.474 31.099 31.700 -0.211 0.000 0.784 95 I N -1.563 118.917 120.570 -0.150 0.000 2.353 95 I HA -0.476 nan 4.170 nan 0.000 0.248 95 I C 1.544 177.690 176.117 0.049 0.000 1.119 95 I CA 3.629 64.898 61.300 -0.052 0.000 1.417 95 I CB -0.127 37.804 38.000 -0.115 0.000 1.078 95 I HN -0.580 7.389 8.210 -0.210 0.114 0.421 96 H N 0.844 119.831 119.070 -0.138 0.000 2.389 96 H HA -0.329 nan 4.556 nan 0.000 0.299 96 H C 1.626 176.864 175.328 -0.149 0.000 1.081 96 H CA 2.692 58.646 56.048 -0.157 0.000 1.345 96 H CB 0.362 30.016 29.762 -0.180 0.000 1.393 96 H HN -0.332 7.864 8.280 -0.010 0.078 0.520 97 K N -2.950 117.404 120.400 -0.076 0.000 2.152 97 K HA -0.207 nan 4.320 nan 0.000 0.206 97 K C 1.161 177.663 176.600 -0.164 0.000 1.048 97 K CA 1.538 57.741 56.287 -0.140 0.000 0.933 97 K CB -0.114 32.308 32.500 -0.130 0.000 0.721 97 K HN -0.452 7.763 8.250 -0.059 0.000 0.447 98 E N -1.819 118.271 120.200 -0.183 0.000 2.152 98 E HA -0.178 nan 4.350 nan 0.000 0.192 98 E C 0.133 176.370 176.600 -0.604 0.000 0.983 98 E CA 2.162 58.328 56.400 -0.389 0.000 0.818 98 E CB 0.998 30.430 29.700 -0.447 0.000 0.758 98 E HN -0.646 7.545 8.360 -0.123 0.095 0.467 99 F N -2.974 116.861 119.950 -0.193 0.000 2.531 99 F HA 0.477 nan 4.527 nan 0.000 0.333 99 F C -2.403 173.095 175.800 -0.503 0.000 1.292 99 F CA -2.959 54.810 58.000 -0.384 0.000 1.184 99 F CB -0.207 38.432 39.000 -0.602 0.000 1.426 99 F HN -0.544 7.768 8.300 0.019 0.000 0.559 100 P HA -0.166 nan 4.420 nan 0.000 0.225 100 P C -0.158 177.096 177.300 -0.077 0.000 1.148 100 P CA 1.652 64.641 63.100 -0.185 0.000 0.779 100 P CB -0.347 31.283 31.700 -0.116 0.000 0.780 101 W N -5.999 115.342 121.300 0.068 0.000 2.519 101 W HA -0.087 nan 4.660 nan 0.000 0.266 101 W C -0.567 176.022 176.519 0.118 0.000 1.253 101 W CA -1.302 56.083 57.345 0.066 0.000 1.274 101 W CB -0.438 29.045 29.460 0.038 0.000 1.114 101 W HN -0.573 7.466 8.180 -0.136 0.060 0.596 102 I N 2.279 122.667 120.570 -0.302 0.000 2.588 102 I HA -0.082 nan 4.170 nan 0.000 0.283 102 I C -0.550 175.614 176.117 0.079 0.000 1.119 102 I CA -0.183 61.033 61.300 -0.139 0.000 1.419 102 I CB 1.253 38.895 38.000 -0.597 0.000 1.394 102 I HN -0.769 6.930 8.210 -0.796 0.033 0.562 103 S N 7.973 123.737 115.700 0.106 0.000 2.584 103 S HA 0.050 nan 4.470 nan 0.000 0.270 103 S C 1.400 175.899 174.600 -0.168 0.000 1.346 103 S CA -0.111 58.100 58.200 0.018 0.000 1.018 103 S CB 0.619 63.815 63.200 -0.007 0.000 0.899 103 S HN 0.125 8.872 8.310 0.205 -0.314 0.542 104 S N 4.657 120.221 115.700 -0.226 0.000 2.353 104 S HA -0.391 nan 4.470 nan 0.000 0.222 104 S C 2.150 176.325 174.600 -0.709 0.000 1.035 104 S CA 4.256 62.088 58.200 -0.613 0.000 1.025 104 S CB -0.366 62.579 63.200 -0.424 0.000 0.902 104 S HN 0.114 8.715 8.310 -0.094 -0.348 0.440 105 G N 0.601 109.245 108.800 -0.261 0.000 2.476 105 G HA2 -0.361 nan 3.960 nan 0.000 0.218 105 G HA3 -0.361 nan 3.960 nan 0.000 0.218 105 G C 1.041 175.950 174.900 0.015 0.000 1.164 105 G CA 2.249 47.321 45.100 -0.047 0.000 0.768 105 G HN -0.265 7.913 8.290 -0.188 0.000 0.560 106 D N 2.730 123.145 120.400 0.025 0.000 2.117 106 D HA -0.193 nan 4.640 nan 0.000 0.197 106 D C 2.212 178.603 176.300 0.152 0.000 0.987 106 D CA 3.009 57.169 54.000 0.267 0.000 0.829 106 D CB -0.330 40.683 40.800 0.354 0.000 0.961 106 D HN -0.699 7.650 8.370 -0.034 0.000 0.460 107 L N 0.326 121.448 121.223 -0.169 0.000 2.027 107 L HA -0.302 nan 4.340 nan 0.000 0.206 107 L C 1.568 178.389 176.870 -0.081 0.000 1.074 107 L CA 3.420 58.093 54.840 -0.278 0.000 0.745 107 L CB -0.228 41.470 42.059 -0.602 0.000 0.898 107 L HN -0.218 7.843 8.230 -0.282 0.000 0.433 108 F N -2.458 117.486 119.950 -0.010 0.000 2.126 108 F HA -0.388 nan 4.527 nan 0.000 0.299 108 F C 2.399 178.226 175.800 0.046 0.000 1.096 108 F CA 1.913 59.931 58.000 0.030 0.000 1.255 108 F CB -1.344 37.694 39.000 0.062 0.000 0.997 108 F HN 0.424 8.417 8.300 -0.511 0.000 0.479 109 S N -0.543 115.325 115.700 0.281 0.000 2.387 109 S HA -0.288 nan 4.470 nan 0.000 0.226 109 S C 2.268 176.961 174.600 0.155 0.000 1.026 109 S CA 3.498 61.850 58.200 0.254 0.000 0.972 109 S CB 0.157 63.577 63.200 0.367 0.000 0.814 109 S HN -0.113 8.362 8.310 0.274 0.000 0.477 110 L N 2.817 124.030 121.223 -0.016 0.000 2.093 110 L HA -0.170 nan 4.340 nan 0.000 0.208 110 L C 1.533 178.266 176.870 -0.228 0.000 1.085 110 L CA 2.270 56.851 54.840 -0.431 0.000 0.755 110 L CB -0.529 41.093 42.059 -0.728 0.000 0.904 110 L HN 0.101 8.385 8.230 0.090 0.000 0.435 111 G N -2.022 106.720 108.800 -0.097 0.000 2.469 111 G HA2 -0.456 nan 3.960 nan 0.000 0.219 111 G HA3 -0.456 nan 3.960 nan 0.000 0.219 111 G C 1.005 175.906 174.900 0.002 0.000 1.150 111 G CA 2.621 47.691 45.100 -0.051 0.000 0.763 111 G HN 0.405 8.663 8.290 -0.054 0.000 0.561 112 G N 0.869 109.737 108.800 0.113 0.000 2.421 112 G HA2 -0.317 nan 3.960 nan 0.000 0.216 112 G HA3 -0.317 nan 3.960 nan 0.000 0.216 112 G C 1.068 176.146 174.900 0.297 0.000 1.171 112 G CA 1.835 47.097 45.100 0.270 0.000 0.775 112 G HN -0.663 7.700 8.290 0.121 0.000 0.543 113 V N 2.569 122.625 119.914 0.236 0.000 2.332 113 V HA -0.456 nan 4.120 nan 0.000 0.248 113 V C 2.381 178.535 176.094 0.100 0.000 1.055 113 V CA 4.301 66.736 62.300 0.226 0.000 1.038 113 V CB -0.715 31.207 31.823 0.165 0.000 0.651 113 V HN -0.375 7.909 8.190 0.155 0.000 0.450 114 T N 0.788 115.290 114.554 -0.086 0.000 2.746 114 T HA -0.308 nan 4.350 nan 0.000 0.267 114 T C 1.376 175.952 174.700 -0.206 0.000 1.039 114 T CA 4.916 66.799 62.100 -0.362 0.000 1.142 114 T CB -0.653 67.807 68.868 -0.681 0.000 0.866 114 T HN 0.244 8.410 8.240 -0.124 0.000 0.444 115 A N 1.014 123.766 122.820 -0.113 0.000 1.883 115 A HA -0.253 nan 4.320 nan 0.000 0.217 115 A C 1.707 179.258 177.584 -0.055 0.000 1.186 115 A CA 3.333 55.330 52.037 -0.067 0.000 0.624 115 A CB -0.877 18.108 19.000 -0.025 0.000 0.822 115 A HN -0.149 7.945 8.150 -0.093 0.000 0.444 116 V N -1.049 118.818 119.914 -0.078 0.000 2.343 116 V HA -0.546 nan 4.120 nan 0.000 0.247 116 V C 2.356 178.301 176.094 -0.248 0.000 1.051 116 V CA 4.579 66.730 62.300 -0.249 0.000 1.036 116 V CB -0.991 30.598 31.823 -0.391 0.000 0.654 116 V HN -0.317 7.861 8.190 -0.021 0.000 0.451 117 Q N -2.045 117.694 119.800 -0.102 0.000 2.123 117 Q HA -0.283 nan 4.340 nan 0.000 0.199 117 Q C 3.217 179.227 176.000 0.016 0.000 0.966 117 Q CA 3.134 58.919 55.803 -0.030 0.000 0.845 117 Q CB -0.180 28.645 28.738 0.146 0.000 0.907 117 Q HN -0.334 7.913 8.270 -0.038 0.000 0.439 118 E N 0.131 120.341 120.200 0.017 0.000 2.204 118 E HA -0.203 nan 4.350 nan 0.000 0.194 118 E C 1.424 178.041 176.600 0.028 0.000 0.989 118 E CA 1.922 58.339 56.400 0.028 0.000 0.824 118 E CB -0.219 29.473 29.700 -0.013 0.000 0.756 118 E HN -0.250 8.102 8.360 -0.012 0.000 0.477 119 M N -1.590 118.018 119.600 0.013 0.000 2.726 119 M HA -0.007 nan 4.480 nan 0.000 0.211 119 M C -1.231 175.114 176.300 0.075 0.000 1.190 119 M CA 0.521 55.853 55.300 0.053 0.000 1.000 119 M CB -0.573 32.074 32.600 0.079 0.000 1.790 119 M HN -0.312 7.969 8.290 -0.016 0.000 0.467 120 Q N -5.630 114.198 119.800 0.047 0.000 2.481 120 Q HA -0.420 nan 4.340 nan 0.000 0.258 120 Q C -0.102 175.910 176.000 0.021 0.000 0.961 120 Q CA 0.896 56.742 55.803 0.073 0.000 1.121 120 Q CB -3.177 25.644 28.738 0.138 0.000 1.503 120 Q HN -0.220 7.949 8.270 0.031 0.120 0.544 121 G N 1.282 109.941 108.800 -0.234 0.000 2.553 121 G HA2 0.168 nan 3.960 nan 0.000 0.278 121 G HA3 0.168 nan 3.960 nan 0.000 0.278 121 G C -2.083 172.369 174.900 -0.746 0.000 1.349 121 G CA -1.189 43.419 45.100 -0.820 0.000 1.037 121 G HN -0.071 8.055 8.290 -0.201 0.043 0.508 122 P HA 0.032 nan 4.420 nan 0.000 0.276 122 P C -1.303 175.845 177.300 -0.254 0.000 1.252 122 P CA -0.760 62.051 63.100 -0.482 0.000 0.802 122 P CB 0.989 32.402 31.700 -0.479 0.000 1.035 123 K N -1.139 119.204 120.400 -0.096 0.000 2.416 123 K HA -0.023 nan 4.320 nan 0.000 0.283 123 K C -0.261 176.339 176.600 -0.001 0.000 1.037 123 K CA -0.171 56.102 56.287 -0.023 0.000 0.995 123 K CB -0.138 32.361 32.500 -0.000 0.000 0.938 123 K HN 0.169 8.383 8.250 -0.061 0.000 0.475 124 I N 5.945 126.556 120.570 0.068 0.000 2.330 124 I HA 0.211 nan 4.170 nan 0.000 0.286 124 I C -1.774 174.424 176.117 0.136 0.000 1.025 124 I CA -4.920 56.453 61.300 0.121 0.000 1.197 124 I CB -1.401 36.745 38.000 0.243 0.000 1.358 124 I HN 0.053 8.632 8.210 0.102 -0.308 0.467 125 P HA -0.062 nan 4.420 nan 0.000 0.262 125 P C -2.201 175.164 177.300 0.109 0.000 1.182 125 P CA 0.030 63.148 63.100 0.031 0.000 0.761 125 P CB 0.149 31.815 31.700 -0.057 0.000 0.795 126 W N 6.323 127.564 121.300 -0.099 0.000 2.915 126 W HA 0.248 nan 4.660 nan 0.000 0.337 126 W C -2.669 173.717 176.519 -0.222 0.000 1.102 126 W CA -1.345 55.959 57.345 -0.068 0.000 1.224 126 W CB 3.945 33.505 29.460 0.166 0.000 1.416 126 W HN 0.643 8.925 8.180 0.169 0.000 0.503 127 R N 3.687 123.563 120.500 -1.040 0.000 2.514 127 R HA 0.538 nan 4.340 nan 0.000 0.301 127 R C -1.296 174.071 176.300 -1.556 0.000 0.962 127 R CA -1.610 53.801 56.100 -1.149 0.000 0.882 127 R CB 3.442 33.105 30.300 -1.062 0.000 1.143 127 R HN 0.250 7.804 8.270 -1.193 0.000 0.452 128 C N -2.089 116.500 119.300 -1.185 0.000 2.396 128 C HA 0.524 nan 4.460 nan 0.000 0.359 128 C C 0.614 175.461 174.990 -0.238 0.000 1.307 128 C CA -2.204 56.318 59.018 -0.826 0.000 2.392 128 C CB 0.834 28.245 27.740 -0.548 0.000 2.245 128 C HN 0.553 8.191 8.230 -0.987 0.000 0.615 129 G N -0.734 108.037 108.800 -0.048 0.000 2.273 129 G HA2 -0.211 nan 3.960 nan 0.000 0.162 129 G HA3 -0.211 nan 3.960 nan 0.000 0.162 129 G C -1.265 173.602 174.900 -0.055 0.000 1.006 129 G CA -0.217 44.900 45.100 0.028 0.000 0.704 129 G HN 0.443 9.179 8.290 0.009 -0.441 0.487 130 R N 0.547 120.962 120.500 -0.142 0.000 2.643 130 R HA -0.002 nan 4.340 nan 0.000 0.270 130 R C -0.832 175.189 176.300 -0.465 0.000 1.061 130 R CA 1.041 56.879 56.100 -0.437 0.000 1.107 130 R CB 0.741 30.877 30.300 -0.273 0.000 0.999 130 R HN -0.539 7.926 8.270 -0.093 -0.251 0.460 131 V N 3.632 123.014 119.914 -0.886 0.000 2.540 131 V HA 0.060 nan 4.120 nan 0.000 0.302 131 V C -1.042 174.857 176.094 -0.326 0.000 1.035 131 V CA -1.486 60.563 62.300 -0.418 0.000 0.873 131 V CB 2.389 34.085 31.823 -0.212 0.000 0.992 131 V HN -0.129 6.941 8.190 -1.867 0.000 0.428 132 D N 5.298 125.627 120.400 -0.118 0.000 2.450 132 D HA -0.034 nan 4.640 nan 0.000 0.247 132 D C -0.207 176.136 176.300 0.072 0.000 1.162 132 D CA 0.919 54.907 54.000 -0.019 0.000 0.879 132 D CB 0.343 41.151 40.800 0.013 0.000 1.163 132 D HN 0.041 8.364 8.370 -0.079 0.000 0.472 133 T N 0.518 115.162 114.554 0.149 0.000 2.950 133 T HA 0.535 nan 4.350 nan 0.000 0.288 133 T C -2.003 172.866 174.700 0.282 0.000 1.035 133 T CA -3.338 58.885 62.100 0.206 0.000 1.028 133 T CB 0.540 69.542 68.868 0.224 0.000 1.109 133 T HN -0.139 8.095 8.240 0.154 0.098 0.514 134 P HA 0.212 nan 4.420 nan 0.000 0.272 134 P C 0.803 177.997 177.300 -0.177 0.000 1.230 134 P CA -1.127 62.030 63.100 0.095 0.000 0.788 134 P CB 0.732 32.451 31.700 0.033 0.000 0.949 135 E N 1.397 121.150 120.200 -0.746 0.000 2.219 135 E HA -0.403 nan 4.350 nan 0.000 0.198 135 E C 1.494 177.774 176.600 -0.533 0.000 0.998 135 E CA 3.621 59.191 56.400 -1.383 0.000 0.818 135 E CB -0.158 28.810 29.700 -1.219 0.000 0.741 135 E HN 0.534 8.579 8.360 -0.524 0.000 0.477 136 D N -5.700 114.541 120.400 -0.264 0.000 2.363 136 D HA -0.131 nan 4.640 nan 0.000 0.220 136 D C 1.095 177.365 176.300 -0.048 0.000 0.994 136 D CA 1.339 55.264 54.000 -0.124 0.000 0.890 136 D CB -0.937 39.818 40.800 -0.076 0.000 0.906 136 D HN 0.097 8.295 8.370 -0.240 0.028 0.530 137 T N -3.810 110.734 114.554 -0.017 0.000 3.107 137 T HA 0.109 nan 4.350 nan 0.000 0.249 137 T C 0.444 175.202 174.700 0.097 0.000 1.096 137 T CA -0.287 61.854 62.100 0.068 0.000 1.012 137 T CB 0.374 69.320 68.868 0.130 0.000 0.977 137 T HN -0.356 7.698 8.240 -0.053 0.155 0.527 138 T N 7.474 122.067 114.554 0.064 0.000 2.817 138 T HA 0.225 nan 4.350 nan 0.000 0.295 138 T C -1.769 172.990 174.700 0.098 0.000 0.958 138 T CA -0.469 61.708 62.100 0.129 0.000 1.157 138 T CB -0.355 68.585 68.868 0.121 0.000 0.898 138 T HN -0.600 7.446 8.240 -0.027 0.178 0.536 139 P HA 0.015 nan 4.420 nan 0.000 0.269 139 P C -1.541 175.801 177.300 0.070 0.000 1.209 139 P CA -0.749 62.402 63.100 0.085 0.000 0.776 139 P CB 0.592 32.347 31.700 0.093 0.000 0.876 140 D N 1.518 121.949 120.400 0.051 0.000 2.399 140 D HA -0.146 nan 4.640 nan 0.000 0.241 140 D C 0.447 176.776 176.300 0.048 0.000 1.133 140 D CA 0.607 54.634 54.000 0.044 0.000 0.890 140 D CB 0.473 41.293 40.800 0.033 0.000 1.201 140 D HN 0.130 8.526 8.370 0.045 0.000 0.432 141 N N 0.300 119.028 118.700 0.047 0.000 2.273 141 N HA -0.254 nan 4.740 nan 0.000 0.227 141 N C 1.239 176.776 175.510 0.044 0.000 1.292 141 N CA 1.212 54.289 53.050 0.045 0.000 0.875 141 N CB 0.067 38.580 38.487 0.043 0.000 1.105 141 N HN 0.298 8.706 8.380 0.047 0.000 0.434 142 G N -0.626 108.200 108.800 0.045 0.000 2.176 142 G HA2 -0.251 nan 3.960 nan 0.000 0.232 142 G HA3 -0.251 nan 3.960 nan 0.000 0.232 142 G C 0.022 174.969 174.900 0.079 0.000 0.986 142 G CA 0.331 45.467 45.100 0.059 0.000 0.643 142 G HN 0.386 8.699 8.290 0.037 0.000 0.522 143 R N -1.253 119.290 120.500 0.071 0.000 2.300 143 R HA 0.000 nan 4.340 nan 0.000 0.199 143 R C -0.220 176.199 176.300 0.198 0.000 0.920 143 R CA 0.132 56.298 56.100 0.111 0.000 1.046 143 R CB 0.561 30.898 30.300 0.061 0.000 0.984 143 R HN -0.185 8.115 8.270 0.049 0.000 0.493 144 L N -0.620 120.643 121.223 0.067 0.000 2.357 144 L HA 0.343 nan 4.340 nan 0.000 0.273 144 L C -1.399 175.416 176.870 -0.092 0.000 1.080 144 L CA -2.879 51.935 54.840 -0.044 0.000 0.803 144 L CB 0.057 41.934 42.059 -0.304 0.000 1.174 144 L HN -0.419 7.773 8.230 0.026 0.053 0.443 145 P HA 0.041 nan 4.420 nan 0.000 0.279 145 P C -1.448 175.830 177.300 -0.038 0.000 1.239 145 P CA -0.757 62.083 63.100 -0.434 0.000 0.789 145 P CB 0.454 31.530 31.700 -1.039 0.000 0.933 146 D N 4.293 124.723 120.400 0.051 0.000 2.341 146 D HA 0.037 nan 4.640 nan 0.000 0.245 146 D C 0.281 176.562 176.300 -0.032 0.000 1.106 146 D CA 0.120 54.104 54.000 -0.027 0.000 0.905 146 D CB 0.761 41.465 40.800 -0.161 0.000 1.202 146 D HN -0.051 8.451 8.370 0.219 0.000 0.426 147 A N 0.074 122.916 122.820 0.036 0.000 2.132 147 A HA -0.000 nan 4.320 nan 0.000 0.213 147 A C -0.467 177.124 177.584 0.010 0.000 1.154 147 A CA 1.632 53.676 52.037 0.012 0.000 0.753 147 A CB 0.414 19.356 19.000 -0.096 0.000 0.826 147 A HN 0.218 8.423 8.150 0.092 0.000 0.469 148 D N -4.372 116.051 120.400 0.038 0.000 2.690 148 D HA 0.011 nan 4.640 nan 0.000 0.236 148 D C -1.021 175.266 176.300 -0.022 0.000 1.218 148 D CA -0.424 53.615 54.000 0.064 0.000 0.829 148 D CB -1.762 39.094 40.800 0.094 0.000 1.009 148 D HN 0.187 8.518 8.370 0.018 0.050 0.482 149 K N -0.962 119.406 120.400 -0.054 0.000 2.263 149 K HA 0.259 nan 4.320 nan 0.000 0.249 149 K C -1.863 174.783 176.600 0.076 0.000 1.076 149 K CA -1.788 54.446 56.287 -0.089 0.000 0.884 149 K CB 2.367 34.581 32.500 -0.476 0.000 1.394 149 K HN -0.688 7.494 8.250 -0.007 0.063 0.476 150 D N -3.078 117.408 120.400 0.143 0.000 2.592 150 D HA 0.139 nan 4.640 nan 0.000 0.259 150 D C 0.547 177.005 176.300 0.264 0.000 1.144 150 D CA -1.451 52.668 54.000 0.198 0.000 1.080 150 D CB 1.289 42.191 40.800 0.169 0.000 1.225 150 D HN -0.297 8.152 8.370 0.131 0.000 0.619 151 A N -2.290 120.676 122.820 0.243 0.000 2.019 151 A HA -0.194 nan 4.320 nan 0.000 0.219 151 A C 2.009 179.753 177.584 0.267 0.000 1.164 151 A CA 2.865 55.088 52.037 0.310 0.000 0.644 151 A CB -0.429 18.718 19.000 0.245 0.000 0.805 151 A HN 0.462 8.732 8.150 0.200 0.000 0.449 152 G N -1.167 107.754 108.800 0.203 0.000 2.394 152 G HA2 -0.279 nan 3.960 nan 0.000 0.215 152 G HA3 -0.279 nan 3.960 nan 0.000 0.215 152 G C 0.727 175.763 174.900 0.227 0.000 1.165 152 G CA 1.355 46.556 45.100 0.170 0.000 0.784 152 G HN -0.246 8.136 8.290 0.186 0.020 0.535 153 Y N 3.083 123.478 120.300 0.158 0.000 2.128 153 Y HA -0.471 nan 4.550 nan 0.000 0.284 153 Y C 1.773 177.822 175.900 0.249 0.000 1.154 153 Y CA 3.989 62.194 58.100 0.176 0.000 1.149 153 Y CB 0.194 38.741 38.460 0.145 0.000 0.976 153 Y HN -0.618 8.126 8.280 0.366 -0.245 0.505 154 V N -0.731 119.427 119.914 0.406 0.000 2.287 154 V HA -0.572 nan 4.120 nan 0.000 0.248 154 V C 2.019 178.389 176.094 0.461 0.000 1.053 154 V CA 4.500 67.055 62.300 0.425 0.000 1.027 154 V CB -1.138 30.952 31.823 0.446 0.000 0.646 154 V HN -0.043 8.443 8.190 0.494 0.000 0.447 155 R N -1.721 119.014 120.500 0.391 0.000 2.073 155 R HA -0.413 nan 4.340 nan 0.000 0.234 155 R C 2.156 178.583 176.300 0.212 0.000 1.134 155 R CA 3.796 60.087 56.100 0.319 0.000 0.952 155 R CB -0.145 30.259 30.300 0.173 0.000 0.850 155 R HN -0.120 8.373 8.270 0.372 0.000 0.433 156 T N 1.672 116.303 114.554 0.127 0.000 2.746 156 T HA -0.265 nan 4.350 nan 0.000 0.267 156 T C 1.863 176.556 174.700 -0.012 0.000 1.039 156 T CA 4.851 66.978 62.100 0.046 0.000 1.142 156 T CB -0.545 68.336 68.868 0.022 0.000 0.866 156 T HN -0.489 7.829 8.240 0.131 0.000 0.444 157 F N 2.802 122.632 119.950 -0.199 0.000 2.069 157 F HA -0.433 nan 4.527 nan 0.000 0.298 157 F C 1.510 177.211 175.800 -0.166 0.000 1.113 157 F CA 3.429 61.250 58.000 -0.299 0.000 1.214 157 F CB 0.277 38.950 39.000 -0.544 0.000 0.978 157 F HN -0.070 8.224 8.300 -0.011 0.000 0.474 158 F N -1.747 118.243 119.950 0.067 0.000 2.451 158 F HA -0.282 nan 4.527 nan 0.000 0.299 158 F C 1.647 177.431 175.800 -0.026 0.000 1.101 158 F CA 3.113 61.138 58.000 0.043 0.000 1.436 158 F CB -0.400 38.711 39.000 0.185 0.000 1.074 158 F HN -0.030 8.531 8.300 0.437 0.000 0.553 159 Q N 0.362 120.223 119.800 0.101 0.000 2.224 159 Q HA -0.346 nan 4.340 nan 0.000 0.203 159 Q C 1.826 177.780 176.000 -0.076 0.000 0.970 159 Q CA 3.036 58.860 55.803 0.034 0.000 0.865 159 Q CB -0.541 28.215 28.738 0.030 0.000 0.922 159 Q HN -0.249 8.068 8.270 0.120 0.026 0.445 160 R N -1.407 118.973 120.500 -0.200 0.000 2.237 160 R HA -0.173 nan 4.340 nan 0.000 0.219 160 R C 0.849 176.989 176.300 -0.268 0.000 1.080 160 R CA 2.723 58.640 56.100 -0.305 0.000 0.995 160 R CB 0.033 30.093 30.300 -0.400 0.000 0.875 160 R HN -0.473 7.528 8.270 -0.253 0.117 0.462 161 L N -2.584 118.612 121.223 -0.046 0.000 2.910 161 L HA 0.146 nan 4.340 nan 0.000 0.252 161 L C -0.866 176.213 176.870 0.349 0.000 1.195 161 L CA -1.352 53.669 54.840 0.301 0.000 1.003 161 L CB -0.546 41.714 42.059 0.334 0.000 1.328 161 L HN -0.755 7.266 8.230 -0.074 0.164 0.540 162 N N -0.867 117.948 118.700 0.191 0.000 2.823 162 N HA -0.443 nan 4.740 nan 0.000 0.287 162 N C -1.032 174.571 175.510 0.155 0.000 1.007 162 N CA 1.047 54.187 53.050 0.150 0.000 0.840 162 N CB -1.352 37.206 38.487 0.118 0.000 0.944 162 N HN -0.408 7.868 8.380 0.070 0.145 0.590 163 M N -0.431 119.280 119.600 0.185 0.000 2.157 163 M HA 0.163 nan 4.480 nan 0.000 0.354 163 M C -0.349 176.020 176.300 0.115 0.000 1.170 163 M CA -1.769 53.620 55.300 0.148 0.000 1.060 163 M CB 0.111 32.828 32.600 0.194 0.000 1.615 163 M HN -0.030 8.376 8.290 0.218 0.015 0.460 164 N N 4.292 123.038 118.700 0.077 0.000 2.514 164 N HA 0.101 nan 4.740 nan 0.000 0.299 164 N C 0.016 175.582 175.510 0.093 0.000 1.292 164 N CA -0.989 52.109 53.050 0.080 0.000 0.963 164 N CB 0.552 39.074 38.487 0.059 0.000 1.124 164 N HN 0.463 9.187 8.380 0.062 -0.306 0.580 165 D N -0.084 120.389 120.400 0.121 0.000 2.097 165 D HA -0.260 nan 4.640 nan 0.000 0.195 165 D C 2.424 178.810 176.300 0.143 0.000 0.989 165 D CA 4.269 58.404 54.000 0.226 0.000 0.827 165 D CB -0.298 40.606 40.800 0.173 0.000 0.966 165 D HN 0.329 8.753 8.370 0.090 0.000 0.456 166 R N -0.263 120.288 120.500 0.085 0.000 2.081 166 R HA -0.361 nan 4.340 nan 0.000 0.235 166 R C 2.008 178.365 176.300 0.095 0.000 1.131 166 R CA 3.143 59.291 56.100 0.080 0.000 0.960 166 R CB -0.204 30.138 30.300 0.070 0.000 0.856 166 R HN 0.006 8.377 8.270 0.073 -0.057 0.436 167 E N -0.351 119.875 120.200 0.043 0.000 2.051 167 E HA -0.371 nan 4.350 nan 0.000 0.192 167 E C 2.628 179.155 176.600 -0.122 0.000 0.991 167 E CA 3.174 59.569 56.400 -0.010 0.000 0.799 167 E CB -0.154 29.537 29.700 -0.014 0.000 0.748 167 E HN -0.525 8.138 8.360 0.044 -0.276 0.449 168 V N 0.599 120.376 119.914 -0.227 0.000 2.287 168 V HA -0.352 nan 4.120 nan 0.000 0.248 168 V C 2.122 178.000 176.094 -0.360 0.000 1.053 168 V CA 4.597 66.584 62.300 -0.521 0.000 1.027 168 V CB -0.822 30.703 31.823 -0.496 0.000 0.646 168 V HN 0.064 8.178 8.190 -0.127 0.000 0.447 169 V N -1.289 118.518 119.914 -0.179 0.000 2.427 169 V HA -0.409 nan 4.120 nan 0.000 0.248 169 V C 1.727 177.970 176.094 0.248 0.000 1.051 169 V CA 4.149 66.424 62.300 -0.041 0.000 1.048 169 V CB -1.335 30.483 31.823 -0.008 0.000 0.666 169 V HN -0.156 7.964 8.190 -0.118 0.000 0.456 170 A N -0.456 122.566 122.820 0.337 0.000 1.877 170 A HA -0.245 nan 4.320 nan 0.000 0.216 170 A C 2.381 180.229 177.584 0.441 0.000 1.186 170 A CA 3.128 55.419 52.037 0.423 0.000 0.620 170 A CB -0.627 18.528 19.000 0.258 0.000 0.822 170 A HN -0.111 8.202 8.150 0.272 0.000 0.443 171 L N -1.401 119.899 121.223 0.128 0.000 2.043 171 L HA -0.306 nan 4.340 nan 0.000 0.212 171 L C 2.444 179.300 176.870 -0.022 0.000 1.075 171 L CA 2.718 57.576 54.840 0.030 0.000 0.752 171 L CB -0.550 41.373 42.059 -0.227 0.000 0.891 171 L HN 0.104 8.339 8.230 0.008 0.000 0.432 172 M N -0.929 118.574 119.600 -0.163 0.000 2.460 172 M HA -0.165 nan 4.480 nan 0.000 0.263 172 M C 2.248 178.354 176.300 -0.324 0.000 1.071 172 M CA 1.483 56.576 55.300 -0.344 0.000 1.096 172 M CB -0.819 31.580 32.600 -0.335 0.000 1.408 172 M HN -0.070 8.130 8.290 -0.151 0.000 0.463 173 G N -1.314 107.426 108.800 -0.100 0.000 2.479 173 G HA2 -0.348 nan 3.960 nan 0.000 0.220 173 G HA3 -0.348 nan 3.960 nan 0.000 0.220 173 G C 0.330 174.992 174.900 -0.396 0.000 1.115 173 G CA 1.763 46.653 45.100 -0.350 0.000 0.757 173 G HN -0.092 8.176 8.290 0.178 0.128 0.560 174 A N 1.474 124.153 122.820 -0.234 0.000 2.172 174 A HA -0.207 nan 4.320 nan 0.000 0.216 174 A C 1.201 178.605 177.584 -0.302 0.000 1.154 174 A CA 1.809 53.697 52.037 -0.247 0.000 0.701 174 A CB -0.505 18.479 19.000 -0.026 0.000 0.789 174 A HN -0.460 7.627 8.150 -0.045 0.036 0.465 175 H N -1.820 116.858 119.070 -0.653 0.000 2.566 175 H HA -0.065 nan 4.556 nan 0.000 0.280 175 H C 0.308 174.797 175.328 -1.397 0.000 1.042 175 H CA -0.366 54.951 56.048 -1.219 0.000 1.168 175 H CB -0.514 28.476 29.762 -1.287 0.000 1.340 175 H HN -0.014 7.816 8.280 -0.463 0.172 0.597 176 A N -0.793 121.605 122.820 -0.703 0.000 2.218 176 A HA 0.043 nan 4.320 nan 0.000 0.209 176 A C -0.764 176.710 177.584 -0.184 0.000 1.168 176 A CA 0.137 51.900 52.037 -0.456 0.000 0.804 176 A CB 0.517 19.258 19.000 -0.431 0.000 0.834 176 A HN -0.442 7.282 8.150 -0.611 0.059 0.482 177 L N -1.641 119.489 121.223 -0.155 0.000 2.307 177 L HA 0.052 nan 4.340 nan 0.000 0.282 177 L C 0.276 177.341 176.870 0.325 0.000 1.051 177 L CA -0.547 54.336 54.840 0.072 0.000 0.804 177 L CB 0.471 42.545 42.059 0.025 0.000 1.197 177 L HN -0.640 7.230 8.230 -0.319 0.168 0.431 178 G N 2.510 111.454 108.800 0.239 0.000 2.527 178 G HA2 -0.396 nan 3.960 nan 0.000 0.268 178 G HA3 -0.396 nan 3.960 nan 0.000 0.268 178 G C -2.465 172.459 174.900 0.040 0.000 1.175 178 G CA 0.769 45.980 45.100 0.186 0.000 0.962 178 G HN 0.736 9.003 8.290 0.159 0.118 0.560 179 K N -1.186 119.106 120.400 -0.180 0.000 2.672 179 K HA 0.403 nan 4.320 nan 0.000 0.295 179 K C -2.056 174.046 176.600 -0.831 0.000 1.042 179 K CA -1.404 54.422 56.287 -0.769 0.000 0.869 179 K CB 2.742 34.882 32.500 -0.600 0.000 1.541 179 K HN -0.267 7.998 8.250 0.025 0.000 0.396 180 T N -2.784 111.183 114.554 -0.979 0.000 2.928 180 T HA 0.470 nan 4.350 nan 0.000 0.284 180 T C -0.315 174.022 174.700 -0.605 0.000 1.008 180 T CA -1.647 60.090 62.100 -0.605 0.000 1.057 180 T CB 1.300 69.897 68.868 -0.450 0.000 1.018 180 T HN 0.172 7.760 8.240 -1.087 0.000 0.493 181 H N 1.456 120.468 119.070 -0.096 0.000 2.658 181 H HA 0.461 nan 4.556 nan 0.000 0.337 181 H C -0.061 175.247 175.328 -0.034 0.000 1.009 181 H CA -0.950 55.057 56.048 -0.069 0.000 1.231 181 H CB 1.782 31.510 29.762 -0.058 0.000 1.508 181 H HN 0.384 8.670 8.280 0.011 0.000 0.517 182 L N 6.104 127.350 121.223 0.039 0.000 2.013 182 L HA -0.407 nan 4.340 nan 0.000 0.212 182 L C 0.899 177.777 176.870 0.014 0.000 1.073 182 L CA 4.194 59.036 54.840 0.003 0.000 0.753 182 L CB 0.263 42.308 42.059 -0.024 0.000 0.890 182 L HN 0.373 8.947 8.230 0.010 -0.338 0.432 183 K N -2.380 118.037 120.400 0.029 0.000 2.280 183 K HA -0.321 nan 4.320 nan 0.000 0.202 183 K C 1.006 177.623 176.600 0.028 0.000 1.047 183 K CA 2.599 58.897 56.287 0.018 0.000 0.942 183 K CB -0.456 32.051 32.500 0.012 0.000 0.739 183 K HN 0.281 8.553 8.250 0.037 0.000 0.457 184 N N -2.896 115.839 118.700 0.059 0.000 2.278 184 N HA -0.035 nan 4.740 nan 0.000 0.181 184 N C 0.827 176.388 175.510 0.086 0.000 1.023 184 N CA 2.179 55.267 53.050 0.063 0.000 0.862 184 N CB 0.870 39.408 38.487 0.084 0.000 1.003 184 N HN -0.500 7.798 8.380 0.094 0.139 0.431 185 S N -4.464 111.304 115.700 0.112 0.000 2.733 185 S HA 0.158 nan 4.470 nan 0.000 0.247 185 S C 0.574 175.216 174.600 0.069 0.000 1.043 185 S CA -0.041 58.252 58.200 0.155 0.000 1.066 185 S CB 2.961 66.331 63.200 0.283 0.000 1.045 185 S HN -0.301 8.078 8.310 0.114 0.000 0.586 186 G N 1.701 110.472 108.800 -0.047 0.000 2.148 186 G HA2 -0.384 nan 3.960 nan 0.000 0.254 186 G HA3 -0.384 nan 3.960 nan 0.000 0.254 186 G C -1.733 172.861 174.900 -0.509 0.000 0.981 186 G CA 0.920 45.867 45.100 -0.256 0.000 0.670 186 G HN 0.040 8.235 8.290 -0.006 0.091 0.528 187 Y N -2.442 117.841 120.300 -0.027 0.000 2.499 187 Y HA 0.281 nan 4.550 nan 0.000 0.347 187 Y C -1.762 174.071 175.900 -0.112 0.000 0.987 187 Y CA -1.863 56.200 58.100 -0.061 0.000 1.044 187 Y CB 2.779 41.204 38.460 -0.059 0.000 1.245 187 Y HN -0.868 7.409 8.280 0.094 0.059 0.461 188 E N 1.130 121.338 120.200 0.014 0.000 2.308 188 E HA 0.271 nan 4.350 nan 0.000 0.275 188 E C -1.474 175.051 176.600 -0.125 0.000 0.890 188 E CA -1.341 55.006 56.400 -0.090 0.000 0.754 188 E CB 3.726 33.386 29.700 -0.066 0.000 1.207 188 E HN 0.085 8.757 8.360 0.064 -0.274 0.426 189 G N 3.486 112.151 108.800 -0.224 0.000 2.326 189 G HA2 -0.107 nan 3.960 nan 0.000 0.413 189 G HA3 -0.107 nan 3.960 nan 0.000 0.413 189 G C -3.365 171.338 174.900 -0.329 0.000 1.444 189 G CA -0.560 44.424 45.100 -0.194 0.000 1.002 189 G HN -0.289 7.817 8.290 -0.307 0.000 0.649 190 P HA 0.317 nan 4.420 nan 0.000 0.277 190 P C 0.087 177.318 177.300 -0.114 0.000 1.240 190 P CA -1.189 61.784 63.100 -0.211 0.000 0.798 190 P CB 0.769 32.443 31.700 -0.043 0.000 0.979 191 W N 0.388 121.639 121.300 -0.081 0.000 2.584 191 W HA -0.125 nan 4.660 nan 0.000 0.264 191 W C -0.055 176.303 176.519 -0.269 0.000 1.264 191 W CA 1.352 58.634 57.345 -0.104 0.000 1.306 191 W CB 0.564 29.930 29.460 -0.155 0.000 1.110 191 W HN 0.142 8.188 8.180 -0.224 0.000 0.606 192 G N -5.606 103.011 108.800 -0.305 0.000 2.348 192 G HA2 0.074 nan 3.960 nan 0.000 0.296 192 G HA3 0.074 nan 3.960 nan 0.000 0.296 192 G C -1.689 172.825 174.900 -0.644 0.000 1.258 192 G CA -0.232 44.241 45.100 -1.045 0.000 0.868 192 G HN -0.889 7.276 8.290 -0.133 0.045 0.488 193 A N -0.306 122.250 122.820 -0.439 0.000 1.935 193 A HA 0.049 nan 4.320 nan 0.000 0.214 193 A C 0.539 178.099 177.584 -0.040 0.000 1.178 193 A CA 1.599 53.591 52.037 -0.076 0.000 0.640 193 A CB 0.927 19.948 19.000 0.034 0.000 0.825 193 A HN 0.106 8.190 8.150 -0.549 -0.264 0.447 194 A N -0.641 122.142 122.820 -0.061 0.000 2.937 194 A HA 0.322 nan 4.320 nan 0.000 0.338 194 A C -1.116 176.457 177.584 -0.019 0.000 1.273 194 A CA -1.155 50.869 52.037 -0.022 0.000 0.937 194 A CB -1.151 17.840 19.000 -0.015 0.000 1.133 194 A HN -0.370 8.033 8.150 -0.107 -0.317 0.491 195 N N 0.377 119.079 118.700 0.004 0.000 2.449 195 N HA -0.153 nan 4.740 nan 0.000 0.191 195 N C -1.039 174.501 175.510 0.050 0.000 1.161 195 N CA 1.045 54.117 53.050 0.036 0.000 0.863 195 N CB 0.107 38.623 38.487 0.049 0.000 0.980 195 N HN 0.167 8.548 8.380 0.002 0.000 0.458 196 N N -3.804 114.923 118.700 0.046 0.000 2.390 196 N HA 0.102 nan 4.740 nan 0.000 0.259 196 N C -1.747 173.805 175.510 0.069 0.000 1.395 196 N CA -0.819 52.267 53.050 0.061 0.000 0.852 196 N CB -0.473 38.053 38.487 0.065 0.000 1.371 196 N HN 0.069 8.425 8.380 0.040 0.048 0.491 197 V N -0.249 119.703 119.914 0.063 0.000 2.656 197 V HA 0.362 nan 4.120 nan 0.000 0.307 197 V C -1.909 174.245 176.094 0.099 0.000 1.051 197 V CA -0.666 61.690 62.300 0.093 0.000 0.893 197 V CB 2.448 34.320 31.823 0.082 0.000 0.999 197 V HN -0.810 7.403 8.190 0.039 0.000 0.426 198 F N 8.091 128.044 119.950 0.004 0.000 2.421 198 F HA 0.165 nan 4.527 nan 0.000 0.358 198 F C -0.953 174.951 175.800 0.173 0.000 1.115 198 F CA 0.377 58.365 58.000 -0.019 0.000 1.160 198 F CB 0.663 39.543 39.000 -0.201 0.000 1.123 198 F HN 0.673 9.130 8.300 0.262 0.000 0.508 199 T N 2.479 117.013 114.554 -0.033 0.000 2.778 199 T HA 0.225 nan 4.350 nan 0.000 0.293 199 T C -1.354 173.383 174.700 0.061 0.000 1.144 199 T CA -2.081 60.113 62.100 0.157 0.000 1.010 199 T CB 2.799 71.693 68.868 0.045 0.000 1.325 199 T HN -0.228 7.811 8.240 -0.336 0.000 0.515 200 N N -2.267 116.462 118.700 0.049 0.000 2.375 200 N HA -0.024 nan 4.740 nan 0.000 0.220 200 N C 0.725 176.133 175.510 -0.171 0.000 1.170 200 N CA -0.116 52.848 53.050 -0.143 0.000 0.833 200 N CB -1.558 36.928 38.487 -0.001 0.000 1.069 200 N HN 0.295 8.716 8.380 0.067 0.000 0.479 201 E N 1.398 121.474 120.200 -0.207 0.000 2.118 201 E HA -0.424 nan 4.350 nan 0.000 0.195 201 E C 1.085 177.528 176.600 -0.262 0.000 0.992 201 E CA 3.395 59.686 56.400 -0.182 0.000 0.804 201 E CB -0.180 29.418 29.700 -0.171 0.000 0.741 201 E HN -0.673 7.442 8.360 -0.208 0.121 0.458 202 K N -1.075 119.027 120.400 -0.497 0.000 2.074 202 K HA -0.322 nan 4.320 nan 0.000 0.209 202 K C 2.617 178.930 176.600 -0.478 0.000 1.048 202 K CA 2.642 58.582 56.287 -0.579 0.000 0.926 202 K CB -0.643 31.305 32.500 -0.921 0.000 0.713 202 K HN 0.188 8.091 8.250 -0.579 0.000 0.444 203 Y N -2.308 117.862 120.300 -0.217 0.000 2.220 203 Y HA -0.262 nan 4.550 nan 0.000 0.291 203 Y C 2.541 178.397 175.900 -0.073 0.000 1.129 203 Y CA 3.036 61.044 58.100 -0.154 0.000 1.161 203 Y CB -0.390 37.965 38.460 -0.174 0.000 0.997 203 Y HN -0.725 7.070 8.280 -0.768 0.024 0.522 204 L N -1.033 120.231 121.223 0.068 0.000 2.046 204 L HA -0.556 nan 4.340 nan 0.000 0.208 204 L C 2.105 179.036 176.870 0.101 0.000 1.077 204 L CA 3.187 58.065 54.840 0.064 0.000 0.747 204 L CB -0.682 41.398 42.059 0.035 0.000 0.896 204 L HN -0.674 7.578 8.230 0.037 0.000 0.432 205 N N -0.633 118.137 118.700 0.115 0.000 2.166 205 N HA -0.274 nan 4.740 nan 0.000 0.186 205 N C 2.615 178.408 175.510 0.472 0.000 1.019 205 N CA 2.935 56.159 53.050 0.290 0.000 0.856 205 N CB -0.562 38.132 38.487 0.345 0.000 0.993 205 N HN -0.065 8.336 8.380 0.035 0.000 0.426 206 L N -0.721 120.649 121.223 0.245 0.000 2.046 206 L HA -0.250 nan 4.340 nan 0.000 0.208 206 L C 0.977 177.949 176.870 0.170 0.000 1.077 206 L CA 2.950 57.869 54.840 0.131 0.000 0.747 206 L CB -0.211 41.810 42.059 -0.063 0.000 0.896 206 L HN -0.083 8.210 8.230 0.105 0.000 0.432 207 L N -4.264 117.038 121.223 0.132 0.000 2.307 207 L HA -0.181 nan 4.340 nan 0.000 0.211 207 L C 1.398 178.338 176.870 0.116 0.000 1.099 207 L CA 1.424 56.321 54.840 0.095 0.000 0.816 207 L CB 0.338 42.429 42.059 0.052 0.000 0.952 207 L HN -0.390 7.911 8.230 0.117 0.000 0.455 208 N N -4.048 114.734 118.700 0.137 0.000 2.227 208 N HA 0.046 nan 4.740 nan 0.000 0.196 208 N C -0.225 175.306 175.510 0.035 0.000 1.142 208 N CA 0.081 53.179 53.050 0.080 0.000 0.887 208 N CB 1.537 40.060 38.487 0.061 0.000 1.022 208 N HN -0.054 8.430 8.380 0.173 0.000 0.500 209 E N 0.184 120.400 120.200 0.028 0.000 2.318 209 E HA 0.034 nan 4.350 nan 0.000 0.265 209 E C -0.905 175.493 176.600 -0.337 0.000 1.069 209 E CA -0.335 55.889 56.400 -0.293 0.000 0.893 209 E CB 0.979 30.226 29.700 -0.755 0.000 1.076 209 E HN -0.708 7.775 8.360 0.206 0.000 0.414 210 D N 2.886 123.070 120.400 -0.359 0.000 2.479 210 D HA 0.092 nan 4.640 nan 0.000 0.218 210 D C -1.146 175.037 176.300 -0.195 0.000 1.131 210 D CA -1.422 52.483 54.000 -0.159 0.000 0.916 210 D CB -0.456 40.282 40.800 -0.103 0.000 1.022 210 D HN 0.188 8.332 8.370 -0.377 0.000 0.515 211 W N 2.606 124.013 121.300 0.178 0.000 2.316 211 W HA 0.137 nan 4.660 nan 0.000 0.311 211 W C -0.772 175.963 176.519 0.360 0.000 1.217 211 W CA -0.949 56.566 57.345 0.284 0.000 1.199 211 W CB 1.141 30.813 29.460 0.354 0.000 1.202 211 W HN -0.462 7.873 8.180 0.258 0.000 0.528 212 K N 3.265 123.966 120.400 0.501 0.000 2.345 212 K HA 0.336 nan 4.320 nan 0.000 0.255 212 K C -1.623 174.976 176.600 -0.000 0.000 0.934 212 K CA -1.852 54.592 56.287 0.261 0.000 0.801 212 K CB 3.478 36.041 32.500 0.104 0.000 1.137 212 K HN 0.813 9.228 8.250 0.468 0.117 0.424 213 L N 5.814 126.757 121.223 -0.467 0.000 2.361 213 L HA 0.247 nan 4.340 nan 0.000 0.278 213 L C -0.859 175.749 176.870 -0.437 0.000 1.113 213 L CA 0.471 54.747 54.840 -0.939 0.000 0.849 213 L CB 0.393 41.708 42.059 -1.240 0.000 1.155 213 L HN 0.399 8.447 8.230 -0.303 0.000 0.452 214 E N 6.590 126.590 120.200 -0.334 0.000 2.429 214 E HA 0.363 nan 4.350 nan 0.000 0.276 214 E C -2.043 174.464 176.600 -0.156 0.000 0.953 214 E CA -1.958 54.331 56.400 -0.186 0.000 0.787 214 E CB 4.050 33.687 29.700 -0.105 0.000 1.307 214 E HN 0.812 8.945 8.360 -0.379 0.000 0.458 215 K N 0.757 121.088 120.400 -0.115 0.000 2.174 215 K HA 0.276 nan 4.320 nan 0.000 0.275 215 K C -0.627 175.927 176.600 -0.077 0.000 1.015 215 K CA -0.003 56.226 56.287 -0.096 0.000 0.933 215 K CB 0.852 33.301 32.500 -0.085 0.000 1.025 215 K HN 0.142 8.329 8.250 -0.105 0.000 0.463 216 N N 4.884 123.537 118.700 -0.079 0.000 2.538 216 N HA 0.174 nan 4.740 nan 0.000 0.292 216 N C 0.671 176.134 175.510 -0.078 0.000 1.262 216 N CA -1.061 51.946 53.050 -0.071 0.000 0.976 216 N CB 0.584 39.030 38.487 -0.068 0.000 1.161 216 N HN 0.368 8.692 8.380 -0.093 0.000 0.598 217 D N -1.810 118.548 120.400 -0.070 0.000 2.351 217 D HA -0.195 nan 4.640 nan 0.000 0.216 217 D C 0.012 176.266 176.300 -0.077 0.000 0.968 217 D CA 2.797 56.758 54.000 -0.065 0.000 0.899 217 D CB -0.775 39.994 40.800 -0.052 0.000 0.907 217 D HN 0.530 8.863 8.370 -0.062 0.000 0.514 218 A N -2.197 120.558 122.820 -0.108 0.000 2.307 218 A HA 0.018 nan 4.320 nan 0.000 0.218 218 A C -0.374 177.135 177.584 -0.125 0.000 1.228 218 A CA -0.214 51.751 52.037 -0.121 0.000 0.857 218 A CB 0.311 19.208 19.000 -0.170 0.000 0.897 218 A HN -0.363 7.926 8.150 -0.124 -0.213 0.495 219 N N -5.353 113.281 118.700 -0.111 0.000 2.850 219 N HA -0.487 nan 4.740 nan 0.000 0.249 219 N C -1.207 174.232 175.510 -0.119 0.000 1.060 219 N CA 1.358 54.349 53.050 -0.099 0.000 0.825 219 N CB -1.392 37.048 38.487 -0.078 0.000 1.132 219 N HN 0.163 8.305 8.380 -0.102 0.177 0.564 220 N N -0.176 118.418 118.700 -0.176 0.000 2.509 220 N HA 0.155 nan 4.740 nan 0.000 0.287 220 N C -1.272 174.177 175.510 -0.101 0.000 1.121 220 N CA -0.087 52.847 53.050 -0.193 0.000 0.977 220 N CB 1.632 39.820 38.487 -0.498 0.000 1.167 220 N HN -0.543 7.917 8.380 -0.203 -0.201 0.476 221 E N 0.539 120.722 120.200 -0.027 0.000 2.331 221 E HA 0.286 nan 4.350 nan 0.000 0.272 221 E C -1.147 175.490 176.600 0.061 0.000 1.036 221 E CA 0.514 56.885 56.400 -0.048 0.000 0.864 221 E CB 0.809 30.445 29.700 -0.106 0.000 1.035 221 E HN 0.196 8.554 8.360 -0.002 0.000 0.408 222 Q N -0.543 119.230 119.800 -0.045 0.000 2.511 222 Q HA 0.615 nan 4.340 nan 0.000 0.289 222 Q C -1.623 174.278 176.000 -0.165 0.000 1.021 222 Q CA -2.322 53.497 55.803 0.028 0.000 0.785 222 Q CB 3.387 32.247 28.738 0.203 0.000 1.472 222 Q HN 0.623 8.816 8.270 -0.130 0.000 0.411 223 W N -0.283 121.044 121.300 0.046 0.000 2.316 223 W HA 0.167 nan 4.660 nan 0.000 0.308 223 W C -0.927 175.806 176.519 0.356 0.000 1.106 223 W CA -0.170 57.240 57.345 0.107 0.000 1.262 223 W CB 0.899 30.325 29.460 -0.057 0.000 1.233 223 W HN 0.299 8.672 8.180 0.323 0.000 0.447 224 D N 4.369 125.059 120.400 0.482 0.000 2.256 224 D HA 0.699 nan 4.640 nan 0.000 0.246 224 D C -0.798 175.660 176.300 0.263 0.000 1.042 224 D CA -1.034 53.194 54.000 0.381 0.000 0.841 224 D CB 3.085 43.976 40.800 0.152 0.000 1.223 224 D HN 0.735 9.295 8.370 0.317 0.000 0.470 225 S N 2.248 117.931 115.700 -0.029 0.000 2.690 225 S HA 0.577 nan 4.470 nan 0.000 0.291 225 S C 1.186 175.600 174.600 -0.309 0.000 1.138 225 S CA -1.742 56.204 58.200 -0.425 0.000 1.013 225 S CB 2.335 64.894 63.200 -1.069 0.000 1.053 225 S HN 0.589 8.938 8.310 0.065 0.000 0.539 226 K N 3.453 123.670 120.400 -0.306 0.000 2.152 226 K HA -0.273 nan 4.320 nan 0.000 0.206 226 K C 1.152 177.573 176.600 -0.299 0.000 1.048 226 K CA 2.778 58.923 56.287 -0.237 0.000 0.933 226 K CB -0.311 32.072 32.500 -0.193 0.000 0.721 226 K HN 0.111 8.176 8.250 -0.308 0.000 0.447 227 S N -4.091 111.323 115.700 -0.476 0.000 2.595 227 S HA -0.097 nan 4.470 nan 0.000 0.235 227 S C 0.276 174.498 174.600 -0.630 0.000 0.974 227 S CA 0.512 58.325 58.200 -0.644 0.000 0.942 227 S CB 0.011 62.514 63.200 -1.162 0.000 0.766 227 S HN -0.350 7.767 8.310 -0.518 -0.117 0.536 228 G N -1.053 107.502 108.800 -0.408 0.000 2.132 228 G HA2 -0.328 nan 3.960 nan 0.000 0.234 228 G HA3 -0.328 nan 3.960 nan 0.000 0.234 228 G C -0.465 174.427 174.900 -0.013 0.000 0.989 228 G CA 0.303 45.294 45.100 -0.182 0.000 0.676 228 G HN -0.292 7.608 8.290 -0.347 0.182 0.522 229 Y N -1.522 118.775 120.300 -0.004 0.000 2.432 229 Y HA 0.352 nan 4.550 nan 0.000 0.322 229 Y C -1.168 174.908 175.900 0.294 0.000 1.246 229 Y CA -3.099 55.072 58.100 0.119 0.000 1.268 229 Y CB 1.171 39.740 38.460 0.181 0.000 1.276 229 Y HN -0.806 7.255 8.280 -0.365 0.000 0.499 230 M N -3.301 116.620 119.600 0.536 0.000 2.691 230 M HA 0.915 nan 4.480 nan 0.000 0.293 230 M C -1.883 174.684 176.300 0.443 0.000 1.259 230 M CA -1.236 54.372 55.300 0.514 0.000 0.827 230 M CB 4.227 36.955 32.600 0.213 0.000 1.753 230 M HN 0.642 9.189 8.290 0.429 0.000 0.465 231 M N -1.311 118.452 119.600 0.273 0.000 2.421 231 M HA 0.433 nan 4.480 nan 0.000 0.287 231 M C -2.198 174.200 176.300 0.163 0.000 1.183 231 M CA -0.945 54.428 55.300 0.121 0.000 0.916 231 M CB 4.680 37.041 32.600 -0.397 0.000 1.701 231 M HN 0.350 8.841 8.290 0.334 0.000 0.470 232 L N 3.195 124.500 121.223 0.138 0.000 2.452 232 L HA 0.146 nan 4.340 nan 0.000 0.267 232 L C -1.049 175.910 176.870 0.148 0.000 1.188 232 L CA -1.298 53.553 54.840 0.018 0.000 0.821 232 L CB -1.170 40.856 42.059 -0.055 0.000 1.102 232 L HN 0.040 8.661 8.230 0.222 -0.257 0.470 233 P HA -0.290 nan 4.420 nan 0.000 0.216 233 P C 1.189 178.597 177.300 0.181 0.000 1.157 233 P CA 3.101 66.362 63.100 0.268 0.000 0.880 233 P CB -0.017 31.810 31.700 0.212 0.000 0.791 234 T N -6.106 108.515 114.554 0.112 0.000 2.881 234 T HA -0.310 nan 4.350 nan 0.000 0.270 234 T C 1.726 176.460 174.700 0.057 0.000 1.068 234 T CA 3.814 65.981 62.100 0.112 0.000 1.131 234 T CB -0.909 68.034 68.868 0.125 0.000 0.871 234 T HN -0.198 8.088 8.240 0.076 0.000 0.479 235 D N 2.043 122.459 120.400 0.026 0.000 2.123 235 D HA -0.170 nan 4.640 nan 0.000 0.200 235 D C 1.994 178.216 176.300 -0.130 0.000 0.976 235 D CA 2.831 56.787 54.000 -0.074 0.000 0.831 235 D CB -0.630 40.108 40.800 -0.104 0.000 0.974 235 D HN -0.730 7.562 8.370 0.056 0.112 0.469 236 Y N 1.756 121.895 120.300 -0.268 0.000 2.256 236 Y HA -0.444 nan 4.550 nan 0.000 0.288 236 Y C 1.966 177.723 175.900 -0.238 0.000 1.155 236 Y CA 3.189 61.031 58.100 -0.431 0.000 1.203 236 Y CB 0.075 38.128 38.460 -0.678 0.000 0.980 236 Y HN -0.062 8.246 8.280 0.046 0.000 0.530 237 S N 0.113 115.818 115.700 0.007 0.000 2.400 237 S HA -0.419 nan 4.470 nan 0.000 0.234 237 S C 1.787 176.398 174.600 0.019 0.000 1.049 237 S CA 3.863 62.092 58.200 0.049 0.000 1.039 237 S CB -0.750 62.539 63.200 0.149 0.000 0.856 237 S HN -0.068 8.300 8.310 0.096 0.001 0.465 238 L N -3.079 118.093 121.223 -0.085 0.000 2.353 238 L HA -0.240 nan 4.340 nan 0.000 0.220 238 L C 0.588 177.409 176.870 -0.082 0.000 1.133 238 L CA 2.280 57.074 54.840 -0.077 0.000 0.798 238 L CB -0.253 41.701 42.059 -0.175 0.000 0.922 238 L HN -0.544 7.470 8.230 -0.134 0.136 0.445 239 I N -9.106 111.317 120.570 -0.245 0.000 4.070 239 I HA 0.031 nan 4.170 nan 0.000 0.328 239 I C 1.192 177.156 176.117 -0.254 0.000 1.298 239 I CA 0.772 61.909 61.300 -0.272 0.000 1.173 239 I CB 0.478 38.229 38.000 -0.415 0.000 1.051 239 I HN -0.437 7.529 8.210 -0.362 0.026 0.409 240 Q N 0.546 120.205 119.800 -0.234 0.000 2.187 240 Q HA -0.144 nan 4.340 nan 0.000 0.199 240 Q C 0.350 176.327 176.000 -0.038 0.000 0.957 240 Q CA 1.712 57.447 55.803 -0.114 0.000 0.857 240 Q CB 0.517 29.233 28.738 -0.037 0.000 0.929 240 Q HN -0.567 7.437 8.270 -0.265 0.108 0.453 241 D N -0.273 120.128 120.400 0.001 0.000 2.277 241 D HA 0.298 nan 4.640 nan 0.000 0.249 241 D C -0.902 175.368 176.300 -0.051 0.000 1.134 241 D CA -2.626 51.354 54.000 -0.034 0.000 0.863 241 D CB 2.225 42.971 40.800 -0.089 0.000 1.143 241 D HN -0.491 7.903 8.370 0.040 0.000 0.458 242 P HA -0.141 nan 4.420 nan 0.000 0.217 242 P C 1.452 178.711 177.300 -0.068 0.000 1.150 242 P CA 2.142 65.205 63.100 -0.061 0.000 0.832 242 P CB 0.499 32.165 31.700 -0.056 0.000 0.787 243 K N -1.082 119.251 120.400 -0.112 0.000 2.025 243 K HA -0.233 nan 4.320 nan 0.000 0.207 243 K C 2.846 179.432 176.600 -0.022 0.000 1.049 243 K CA 3.050 59.273 56.287 -0.107 0.000 0.933 243 K CB -0.279 32.112 32.500 -0.182 0.000 0.714 243 K HN -0.602 7.661 8.250 -0.147 -0.101 0.438 244 Y N -1.257 119.002 120.300 -0.068 0.000 2.181 244 Y HA -0.285 nan 4.550 nan 0.000 0.288 244 Y C 2.308 178.140 175.900 -0.114 0.000 1.146 244 Y CA 1.005 59.055 58.100 -0.084 0.000 1.164 244 Y CB -0.540 37.882 38.460 -0.063 0.000 0.982 244 Y HN -0.513 7.974 8.280 -0.143 -0.293 0.515 245 L N -0.882 120.374 121.223 0.055 0.000 2.042 245 L HA -0.440 nan 4.340 nan 0.000 0.210 245 L C 1.492 178.319 176.870 -0.070 0.000 1.076 245 L CA 3.176 57.996 54.840 -0.032 0.000 0.749 245 L CB -0.500 41.530 42.059 -0.050 0.000 0.893 245 L HN 0.086 8.359 8.230 0.071 0.000 0.432 246 S N -0.812 114.845 115.700 -0.072 0.000 2.402 246 S HA -0.293 nan 4.470 nan 0.000 0.229 246 S C 2.200 176.695 174.600 -0.175 0.000 1.021 246 S CA 3.365 61.503 58.200 -0.103 0.000 0.974 246 S CB -0.697 62.450 63.200 -0.088 0.000 0.800 246 S HN -0.444 7.834 8.310 -0.053 0.000 0.484 247 I N 1.622 122.069 120.570 -0.205 0.000 2.286 247 I HA -0.383 nan 4.170 nan 0.000 0.245 247 I C 1.276 177.047 176.117 -0.576 0.000 1.104 247 I CA 3.561 64.611 61.300 -0.417 0.000 1.397 247 I CB -0.191 37.617 38.000 -0.319 0.000 1.072 247 I HN -0.775 7.344 8.210 -0.122 0.018 0.417 248 V N 0.928 120.644 119.914 -0.329 0.000 2.278 248 V HA -0.623 nan 4.120 nan 0.000 0.251 248 V C 1.980 177.929 176.094 -0.241 0.000 1.062 248 V CA 5.037 67.192 62.300 -0.243 0.000 1.038 248 V CB -1.254 30.543 31.823 -0.043 0.000 0.646 248 V HN 0.244 8.314 8.190 -0.199 0.000 0.447 249 K N -2.553 117.739 120.400 -0.181 0.000 2.147 249 K HA -0.396 nan 4.320 nan 0.000 0.205 249 K C 2.331 178.840 176.600 -0.151 0.000 1.049 249 K CA 3.768 59.978 56.287 -0.128 0.000 0.936 249 K CB -0.370 32.071 32.500 -0.098 0.000 0.722 249 K HN -0.183 7.969 8.250 -0.164 0.000 0.446 250 E N -0.087 119.962 120.200 -0.252 0.000 2.072 250 E HA -0.251 nan 4.350 nan 0.000 0.191 250 E C 2.657 179.178 176.600 -0.132 0.000 0.985 250 E CA 3.061 59.323 56.400 -0.229 0.000 0.801 250 E CB -0.218 29.270 29.700 -0.353 0.000 0.750 250 E HN -0.699 7.357 8.360 -0.315 0.114 0.452 251 Y N -2.379 117.740 120.300 -0.300 0.000 2.314 251 Y HA -0.204 nan 4.550 nan 0.000 0.293 251 Y C 1.744 177.481 175.900 -0.272 0.000 1.129 251 Y CA 0.569 58.425 58.100 -0.406 0.000 1.201 251 Y CB -0.615 37.187 38.460 -1.095 0.000 0.999 251 Y HN -0.278 7.626 8.280 -0.628 0.000 0.541 252 A N -1.473 121.313 122.820 -0.057 0.000 1.933 252 A HA -0.174 nan 4.320 nan 0.000 0.218 252 A C 1.085 178.674 177.584 0.009 0.000 1.175 252 A CA 2.200 54.251 52.037 0.022 0.000 0.628 252 A CB -0.098 18.919 19.000 0.028 0.000 0.814 252 A HN -0.010 8.056 8.150 -0.140 0.000 0.444 253 N N -4.167 114.528 118.700 -0.007 0.000 2.424 253 N HA -0.058 nan 4.740 nan 0.000 0.178 253 N C -0.497 175.017 175.510 0.007 0.000 1.060 253 N CA 1.152 54.200 53.050 -0.003 0.000 0.901 253 N CB 1.175 39.654 38.487 -0.015 0.000 0.979 253 N HN -0.504 7.858 8.380 -0.029 0.000 0.451 254 D N -0.308 120.110 120.400 0.030 0.000 2.330 254 D HA 0.281 nan 4.640 nan 0.000 0.249 254 D C -0.942 175.394 176.300 0.061 0.000 1.306 254 D CA -0.725 53.298 54.000 0.038 0.000 0.956 254 D CB 1.047 41.878 40.800 0.052 0.000 1.261 254 D HN -0.511 7.772 8.370 0.042 0.112 0.544 255 Q N 4.842 124.637 119.800 -0.009 0.000 2.124 255 Q HA -0.384 nan 4.340 nan 0.000 0.202 255 Q C 1.121 177.011 176.000 -0.182 0.000 0.977 255 Q CA 3.624 59.385 55.803 -0.069 0.000 0.850 255 Q CB 0.188 28.791 28.738 -0.226 0.000 0.901 255 Q HN 0.532 8.785 8.270 -0.029 0.000 0.429 256 D N -1.778 118.531 120.400 -0.152 0.000 2.144 256 D HA -0.221 nan 4.640 nan 0.000 0.200 256 D C 1.904 178.229 176.300 0.042 0.000 0.978 256 D CA 3.237 57.183 54.000 -0.090 0.000 0.833 256 D CB -0.530 40.240 40.800 -0.050 0.000 0.961 256 D HN -0.263 8.116 8.370 -0.119 -0.079 0.470 257 K N 0.530 120.979 120.400 0.081 0.000 2.026 257 K HA -0.213 nan 4.320 nan 0.000 0.208 257 K C 1.856 178.541 176.600 0.142 0.000 1.048 257 K CA 2.170 58.542 56.287 0.143 0.000 0.929 257 K CB -0.329 32.288 32.500 0.196 0.000 0.713 257 K HN -0.840 7.673 8.250 0.066 -0.224 0.439 258 F N 1.264 121.147 119.950 -0.112 0.000 2.095 258 F HA -0.394 nan 4.527 nan 0.000 0.298 258 F C 1.681 177.511 175.800 0.050 0.000 1.104 258 F CA 2.765 60.493 58.000 -0.452 0.000 1.232 258 F CB -0.227 38.551 39.000 -0.370 0.000 0.987 258 F HN -0.366 8.068 8.300 0.223 0.000 0.475 259 F N -1.423 118.332 119.950 -0.326 0.000 2.095 259 F HA -0.504 nan 4.527 nan 0.000 0.298 259 F C 2.326 178.022 175.800 -0.173 0.000 1.104 259 F CA 2.399 60.206 58.000 -0.322 0.000 1.232 259 F CB -1.113 37.813 39.000 -0.123 0.000 0.987 259 F HN 0.291 8.727 8.300 0.227 0.000 0.475 260 K N -0.937 119.527 120.400 0.107 0.000 2.032 260 K HA -0.386 nan 4.320 nan 0.000 0.209 260 K C 2.321 178.939 176.600 0.030 0.000 1.048 260 K CA 3.689 60.012 56.287 0.059 0.000 0.927 260 K CB -0.460 32.082 32.500 0.069 0.000 0.712 260 K HN -0.265 8.072 8.250 0.145 0.000 0.441 261 D N -0.411 120.008 120.400 0.032 0.000 2.149 261 D HA -0.176 nan 4.640 nan 0.000 0.201 261 D C 2.359 178.663 176.300 0.006 0.000 0.972 261 D CA 2.970 56.996 54.000 0.043 0.000 0.835 261 D CB -0.284 40.596 40.800 0.132 0.000 0.966 261 D HN -0.444 7.947 8.370 0.036 0.000 0.476 262 F N 1.144 120.972 119.950 -0.204 0.000 2.134 262 F HA -0.359 nan 4.527 nan 0.000 0.299 262 F C 1.370 177.104 175.800 -0.111 0.000 1.097 262 F CA 3.439 61.317 58.000 -0.204 0.000 1.264 262 F CB 0.477 39.198 39.000 -0.466 0.000 1.001 262 F HN 0.189 8.443 8.300 -0.076 0.000 0.479 263 S N -0.569 115.125 115.700 -0.010 0.000 2.353 263 S HA -0.455 nan 4.470 nan 0.000 0.222 263 S C 2.005 176.577 174.600 -0.046 0.000 1.035 263 S CA 4.226 62.414 58.200 -0.019 0.000 1.025 263 S CB -0.168 63.025 63.200 -0.011 0.000 0.902 263 S HN -0.142 8.183 8.310 0.026 0.000 0.440 264 K N 0.559 120.933 120.400 -0.043 0.000 2.032 264 K HA -0.377 nan 4.320 nan 0.000 0.209 264 K C 2.251 178.813 176.600 -0.063 0.000 1.048 264 K CA 3.243 59.504 56.287 -0.043 0.000 0.927 264 K CB -0.023 32.464 32.500 -0.021 0.000 0.712 264 K HN -0.523 7.712 8.250 -0.026 0.000 0.441 265 A N -1.288 121.478 122.820 -0.089 0.000 1.968 265 A HA -0.130 nan 4.320 nan 0.000 0.217 265 A C 2.138 179.663 177.584 -0.099 0.000 1.169 265 A CA 2.781 54.762 52.037 -0.092 0.000 0.638 265 A CB -0.687 18.252 19.000 -0.102 0.000 0.812 265 A HN -0.190 7.904 8.150 -0.094 0.000 0.446 266 F N -0.155 119.537 119.950 -0.430 0.000 2.206 266 F HA -0.317 nan 4.527 nan 0.000 0.298 266 F C 1.299 177.011 175.800 -0.146 0.000 1.090 266 F CA 2.429 60.196 58.000 -0.389 0.000 1.323 266 F CB 0.482 39.062 39.000 -0.700 0.000 1.028 266 F HN 0.346 8.482 8.300 -0.273 0.000 0.492 267 E N 0.047 120.190 120.200 -0.095 0.000 2.051 267 E HA -0.512 nan 4.350 nan 0.000 0.192 267 E C 1.809 178.326 176.600 -0.139 0.000 0.991 267 E CA 3.447 59.771 56.400 -0.126 0.000 0.799 267 E CB -0.202 29.453 29.700 -0.075 0.000 0.748 267 E HN -0.433 7.913 8.360 -0.024 0.000 0.449 268 K N -0.611 119.727 120.400 -0.103 0.000 2.044 268 K HA -0.360 nan 4.320 nan 0.000 0.210 268 K C 2.389 178.929 176.600 -0.101 0.000 1.049 268 K CA 3.125 59.358 56.287 -0.090 0.000 0.927 268 K CB -0.083 32.387 32.500 -0.051 0.000 0.713 268 K HN -0.556 7.643 8.250 -0.086 0.000 0.443 269 L N -1.591 119.590 121.223 -0.070 0.000 2.012 269 L HA -0.296 nan 4.340 nan 0.000 0.210 269 L C 2.124 178.941 176.870 -0.087 0.000 1.073 269 L CA 2.984 57.814 54.840 -0.016 0.000 0.748 269 L CB -0.036 42.068 42.059 0.075 0.000 0.891 269 L HN -0.378 7.815 8.230 -0.062 0.000 0.431 270 L N -4.839 116.275 121.223 -0.182 0.000 2.291 270 L HA -0.198 nan 4.340 nan 0.000 0.214 270 L C 2.068 178.872 176.870 -0.111 0.000 1.120 270 L CA 2.288 57.035 54.840 -0.154 0.000 0.799 270 L CB -0.080 41.855 42.059 -0.207 0.000 0.925 270 L HN -0.265 7.813 8.230 -0.255 0.000 0.446 271 E N -3.114 117.010 120.200 -0.127 0.000 2.474 271 E HA 0.007 nan 4.350 nan 0.000 0.195 271 E C -0.194 176.282 176.600 -0.206 0.000 1.039 271 E CA 0.023 56.380 56.400 -0.072 0.000 0.881 271 E CB 0.609 30.299 29.700 -0.017 0.000 0.970 271 E HN -0.196 7.958 8.360 -0.144 0.120 0.486 272 N N 0.638 119.100 118.700 -0.396 0.000 2.412 272 N HA -0.224 nan 4.740 nan 0.000 0.258 272 N C 0.172 175.004 175.510 -1.129 0.000 1.236 272 N CA 1.731 54.242 53.050 -0.899 0.000 0.882 272 N CB -0.188 37.539 38.487 -1.267 0.000 1.066 272 N HN -0.630 7.568 8.380 -0.303 0.000 0.465 273 G N -0.207 108.001 108.800 -0.987 0.000 2.175 273 G HA2 -0.361 nan 3.960 nan 0.000 0.244 273 G HA3 -0.361 nan 3.960 nan 0.000 0.244 273 G C -1.210 173.601 174.900 -0.149 0.000 0.982 273 G CA 0.472 45.356 45.100 -0.360 0.000 0.641 273 G HN 0.325 8.098 8.290 -0.861 0.000 0.527 274 I N 0.889 121.302 120.570 -0.262 0.000 2.362 274 I HA 0.239 nan 4.170 nan 0.000 0.289 274 I C -1.005 174.847 176.117 -0.441 0.000 0.994 274 I CA -1.342 59.737 61.300 -0.368 0.000 1.158 274 I CB 0.720 38.468 38.000 -0.420 0.000 1.315 274 I HN -0.618 7.347 8.210 -0.299 0.065 0.451 275 T N 9.083 123.385 114.554 -0.420 0.000 2.749 275 T HA 0.289 nan 4.350 nan 0.000 0.295 275 T C -1.065 173.363 174.700 -0.452 0.000 0.936 275 T CA -0.246 61.668 62.100 -0.310 0.000 1.060 275 T CB 0.181 68.939 68.868 -0.183 0.000 0.904 275 T HN 0.740 8.752 8.240 -0.380 0.000 0.500 276 F N 6.604 126.513 119.950 -0.069 0.000 2.391 276 F HA 0.406 nan 4.527 nan 0.000 0.359 276 F C -1.554 174.211 175.800 -0.058 0.000 1.122 276 F CA -3.385 54.572 58.000 -0.073 0.000 1.120 276 F CB -0.002 38.932 39.000 -0.111 0.000 1.142 276 F HN 0.294 8.625 8.300 0.053 0.000 0.483 277 P HA 0.090 nan 4.420 nan 0.000 0.272 277 P C -0.091 177.238 177.300 0.048 0.000 1.230 277 P CA -0.925 62.203 63.100 0.046 0.000 0.788 277 P CB 0.945 32.664 31.700 0.032 0.000 0.949 278 K N 0.679 121.093 120.400 0.023 0.000 2.487 278 K HA -0.062 nan 4.320 nan 0.000 0.192 278 K C -0.283 176.320 176.600 0.004 0.000 1.027 278 K CA 1.478 57.770 56.287 0.008 0.000 1.054 278 K CB -0.151 32.347 32.500 -0.003 0.000 0.824 278 K HN 0.373 8.633 8.250 0.017 0.000 0.510 279 D N -2.745 117.663 120.400 0.014 0.000 2.317 279 D HA -0.128 nan 4.640 nan 0.000 0.211 279 D C -0.574 175.736 176.300 0.017 0.000 0.966 279 D CA -0.108 53.901 54.000 0.015 0.000 0.876 279 D CB -0.334 40.480 40.800 0.022 0.000 0.927 279 D HN -0.228 8.120 8.370 0.019 0.033 0.519 280 A N 2.171 125.006 122.820 0.024 0.000 2.561 280 A HA -0.027 nan 4.320 nan 0.000 0.234 280 A C -1.251 176.307 177.584 -0.044 0.000 1.055 280 A CA -1.453 50.596 52.037 0.019 0.000 0.756 280 A CB -0.650 18.394 19.000 0.072 0.000 0.986 280 A HN -0.584 7.421 8.150 0.032 0.164 0.505 281 P HA -0.063 nan 4.420 nan 0.000 0.267 281 P C -1.253 175.889 177.300 -0.262 0.000 1.200 281 P CA -0.395 62.636 63.100 -0.115 0.000 0.772 281 P CB 0.489 32.158 31.700 -0.052 0.000 0.855 282 S N 1.406 116.976 115.700 -0.217 0.000 2.569 282 S HA -0.035 nan 4.470 nan 0.000 0.274 282 S C -1.396 172.937 174.600 -0.445 0.000 1.353 282 S CA -0.348 57.690 58.200 -0.271 0.000 1.023 282 S CB -0.379 62.719 63.200 -0.171 0.000 0.876 282 S HN -0.107 8.128 8.310 -0.126 0.000 0.540 283 P HA -0.016 nan 4.420 nan 0.000 0.265 283 P C -1.487 175.636 177.300 -0.296 0.000 1.193 283 P CA 0.059 62.880 63.100 -0.464 0.000 0.765 283 P CB 0.403 31.896 31.700 -0.346 0.000 0.823 284 F N 3.653 123.483 119.950 -0.200 0.000 2.443 284 F HA 0.029 nan 4.527 nan 0.000 0.353 284 F C -0.029 175.508 175.800 -0.438 0.000 1.101 284 F CA -0.988 56.819 58.000 -0.323 0.000 1.226 284 F CB 0.757 39.545 39.000 -0.354 0.000 1.140 284 F HN 0.414 8.428 8.300 -0.477 0.000 0.557 285 I N 3.577 124.007 120.570 -0.233 0.000 2.337 285 I HA 0.138 nan 4.170 nan 0.000 0.285 285 I C -0.933 175.047 176.117 -0.228 0.000 1.041 285 I CA -1.535 59.646 61.300 -0.200 0.000 1.199 285 I CB -0.398 37.533 38.000 -0.115 0.000 1.370 285 I HN 0.434 8.511 8.210 -0.222 0.000 0.470 286 F N 6.789 126.771 119.950 0.053 0.000 2.443 286 F HA 0.027 nan 4.527 nan 0.000 0.353 286 F C -0.195 175.428 175.800 -0.295 0.000 1.101 286 F CA -0.565 57.325 58.000 -0.182 0.000 1.226 286 F CB 0.283 38.900 39.000 -0.637 0.000 1.140 286 F HN 0.446 8.616 8.300 -0.216 0.000 0.557 287 K N 3.886 124.257 120.400 -0.048 0.000 2.326 287 K HA 0.099 nan 4.320 nan 0.000 0.275 287 K C 0.142 176.638 176.600 -0.174 0.000 1.018 287 K CA 0.467 56.710 56.287 -0.073 0.000 0.962 287 K CB 0.474 32.975 32.500 0.002 0.000 0.953 287 K HN 0.006 8.315 8.250 0.098 0.000 0.475 288 T N -2.230 112.325 114.554 0.002 0.000 2.828 288 T HA 0.167 nan 4.350 nan 0.000 0.290 288 T C 1.556 176.342 174.700 0.143 0.000 1.019 288 T CA -0.928 61.262 62.100 0.150 0.000 1.031 288 T CB 1.333 70.285 68.868 0.140 0.000 1.001 288 T HN 0.149 8.766 8.240 0.020 -0.365 0.531 289 L N 1.221 122.558 121.223 0.190 0.000 2.051 289 L HA -0.475 nan 4.340 nan 0.000 0.214 289 L C 2.006 178.925 176.870 0.081 0.000 1.076 289 L CA 3.906 58.818 54.840 0.120 0.000 0.758 289 L CB -0.546 41.576 42.059 0.105 0.000 0.890 289 L HN -0.082 8.512 8.230 0.272 -0.200 0.433 290 E N -1.063 119.186 120.200 0.080 0.000 2.077 290 E HA -0.355 nan 4.350 nan 0.000 0.193 290 E C 2.783 179.416 176.600 0.054 0.000 0.989 290 E CA 2.971 59.409 56.400 0.063 0.000 0.800 290 E CB -0.503 29.235 29.700 0.064 0.000 0.746 290 E HN 0.148 8.558 8.360 0.094 0.006 0.452 291 E N -1.921 118.312 120.200 0.055 0.000 2.268 291 E HA -0.218 nan 4.350 nan 0.000 0.195 291 E C 1.564 178.187 176.600 0.039 0.000 0.995 291 E CA 2.106 58.532 56.400 0.043 0.000 0.836 291 E CB -0.119 29.603 29.700 0.037 0.000 0.763 291 E HN -0.352 7.963 8.360 0.065 0.084 0.491 292 Q N -3.291 116.535 119.800 0.043 0.000 2.356 292 Q HA 0.019 nan 4.340 nan 0.000 0.205 292 Q C 0.614 176.636 176.000 0.037 0.000 0.901 292 Q CA -0.347 55.479 55.803 0.039 0.000 0.938 292 Q CB 0.782 29.544 28.738 0.040 0.000 1.081 292 Q HN -0.586 7.572 8.270 0.052 0.142 0.517 293 G N -1.198 107.626 108.800 0.039 0.000 2.176 293 G HA2 -0.386 nan 3.960 nan 0.000 0.252 293 G HA3 -0.386 nan 3.960 nan 0.000 0.252 293 G C -0.814 174.108 174.900 0.036 0.000 1.024 293 G CA 0.557 45.678 45.100 0.035 0.000 0.755 293 G HN -0.454 7.689 8.290 0.043 0.173 0.507 294 L N 0.000 121.248 121.223 0.042 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.865 54.840 0.041 0.000 0.813 294 L CB 0.000 42.086 42.059 0.046 0.000 0.961 294 L HN 0.000 8.152 8.230 0.049 0.107 0.502