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 1t8s_1_F DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI XXXXXXLDRS XSAGLTRYFP TTXXXXXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKX XXXXXXXXXG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.837 176.870 -0.056 0.000 1.165 8 L CA 0.000 54.855 54.840 0.026 0.000 0.813 8 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 9 T N 0.292 114.757 114.554 -0.148 0.000 2.912 9 T HA 0.555 4.905 4.350 0.000 0.000 0.280 9 T C -2.269 172.219 174.700 -0.353 0.000 0.989 9 T CA -1.708 60.135 62.100 -0.427 0.000 0.995 9 T CB 1.723 70.410 68.868 -0.303 0.000 1.077 9 T HN 0.362 nan 8.240 nan 0.000 0.531 10 P HA -0.109 nan 4.420 nan 0.000 0.213 10 P C 1.771 178.989 177.300 -0.136 0.000 1.170 10 P CA 1.989 64.944 63.100 -0.243 0.000 0.902 10 P CB -0.398 31.166 31.700 -0.227 0.000 0.789 11 A N -0.627 122.122 122.820 -0.118 0.000 1.908 11 A HA -0.305 4.015 4.320 0.000 0.000 0.218 11 A C 2.256 179.813 177.584 -0.044 0.000 1.181 11 A CA 1.922 53.922 52.037 -0.061 0.000 0.627 11 A CB -1.435 17.538 19.000 -0.045 0.000 0.818 11 A HN 0.238 nan 8.150 nan 0.000 0.445 12 Q N -0.848 118.917 119.800 -0.058 0.000 2.079 12 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 12 Q C 2.485 178.473 176.000 -0.021 0.000 0.974 12 Q CA 1.317 57.102 55.803 -0.032 0.000 0.840 12 Q CB -0.388 28.329 28.738 -0.034 0.000 0.898 12 Q HN 0.690 nan 8.270 nan 0.000 0.430 13 A N 0.999 123.795 122.820 -0.040 0.000 1.908 13 A HA -0.180 4.140 4.320 0.000 0.000 0.218 13 A C 2.086 179.676 177.584 0.010 0.000 1.181 13 A CA 1.174 53.201 52.037 -0.016 0.000 0.627 13 A CB -0.759 18.224 19.000 -0.030 0.000 0.818 13 A HN 0.286 nan 8.150 nan 0.000 0.445 14 L N -0.492 120.732 121.223 0.001 0.000 2.012 14 L HA -0.216 4.124 4.340 0.000 0.000 0.210 14 L C 2.191 179.083 176.870 0.037 0.000 1.073 14 L CA 1.617 56.469 54.840 0.021 0.000 0.748 14 L CB -0.746 41.318 42.059 0.008 0.000 0.891 14 L HN 0.348 nan 8.230 nan 0.000 0.431 15 D N -0.007 120.409 120.400 0.026 0.000 2.117 15 D HA -0.207 4.433 4.640 0.000 0.000 0.197 15 D C 2.119 178.448 176.300 0.050 0.000 0.987 15 D CA 1.236 55.257 54.000 0.036 0.000 0.829 15 D CB -0.028 40.787 40.800 0.024 0.000 0.961 15 D HN 0.251 nan 8.370 nan 0.000 0.460 16 K N 0.437 120.864 120.400 0.045 0.000 2.155 16 K HA -0.031 4.289 4.320 0.000 0.000 0.203 16 K C 2.306 178.955 176.600 0.082 0.000 1.052 16 K CA 0.332 56.654 56.287 0.057 0.000 0.948 16 K CB 0.011 32.538 32.500 0.046 0.000 0.728 16 K HN 0.067 nan 8.250 nan 0.000 0.448 17 L N 0.889 122.163 121.223 0.085 0.000 2.017 17 L HA -0.222 4.118 4.340 0.000 0.000 0.208 17 L C 2.176 179.141 176.870 0.158 0.000 1.073 17 L CA 1.302 56.211 54.840 0.115 0.000 0.745 17 L CB -0.495 41.619 42.059 0.091 0.000 0.894 17 L HN 0.268 nan 8.230 nan 0.000 0.432 18 D N 0.004 120.484 120.400 0.134 0.000 2.123 18 D HA -0.200 4.440 4.640 0.000 0.000 0.196 18 D C 2.101 178.502 176.300 0.168 0.000 0.992 18 D CA 1.629 55.728 54.000 0.164 0.000 0.833 18 D CB 0.158 41.025 40.800 0.112 0.000 0.954 18 D HN 0.351 nan 8.370 nan 0.000 0.455 19 A N 1.074 123.965 122.820 0.118 0.000 1.835 19 A HA -0.145 4.175 4.320 0.000 0.000 0.215 19 A C 2.495 180.142 177.584 0.105 0.000 1.199 19 A CA 0.978 53.071 52.037 0.093 0.000 0.615 19 A CB -1.011 18.030 19.000 0.070 0.000 0.838 19 A HN 0.203 nan 8.150 nan 0.000 0.444 20 L N -1.998 119.298 121.223 0.121 0.000 2.043 20 L HA -0.249 4.091 4.340 0.000 0.000 0.212 20 L C 2.640 179.608 176.870 0.163 0.000 1.075 20 L CA 2.057 56.974 54.840 0.128 0.000 0.752 20 L CB -0.620 41.522 42.059 0.138 0.000 0.891 20 L HN 0.635 nan 8.230 nan 0.000 0.432 21 Y N 0.902 121.253 120.300 0.084 0.000 2.109 21 Y HA -0.239 4.311 4.550 0.000 0.000 0.285 21 Y C 2.668 178.606 175.900 0.063 0.000 1.131 21 Y CA 1.548 59.700 58.100 0.088 0.000 1.121 21 Y CB -0.182 38.346 38.460 0.113 0.000 0.987 21 Y HN 0.090 nan 8.280 nan 0.000 0.495 22 E N 0.426 120.626 120.200 0.000 0.000 2.097 22 E HA -0.317 4.033 4.350 0.000 0.000 0.196 22 E C 2.184 178.725 176.600 -0.097 0.000 1.000 22 E CA 1.670 58.016 56.400 -0.091 0.000 0.804 22 E CB -0.458 29.257 29.700 0.025 0.000 0.740 22 E HN 0.680 nan 8.360 nan 0.000 0.454 23 Q N 0.233 120.016 119.800 -0.028 0.000 2.050 23 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 23 Q C 2.256 178.250 176.000 -0.010 0.000 0.980 23 Q CA 1.753 57.553 55.803 -0.006 0.000 0.840 23 Q CB 0.071 28.824 28.738 0.025 0.000 0.898 23 Q HN 0.097 nan 8.270 nan 0.000 0.424 24 S N -0.122 115.564 115.700 -0.023 0.000 2.368 24 S HA -0.132 4.338 4.470 0.000 0.000 0.224 24 S C 1.858 176.431 174.600 -0.043 0.000 1.029 24 S CA 1.098 59.310 58.200 0.019 0.000 0.988 24 S CB -0.333 62.879 63.200 0.019 0.000 0.838 24 S HN 0.420 nan 8.310 nan 0.000 0.462 25 V N 1.703 121.479 119.914 -0.230 0.000 2.343 25 V HA -0.114 4.006 4.120 0.000 0.000 0.247 25 V C 2.018 178.029 176.094 -0.139 0.000 1.051 25 V CA 1.695 63.841 62.300 -0.256 0.000 1.036 25 V CB -0.418 31.144 31.823 -0.434 0.000 0.654 25 V HN 0.370 nan 8.190 nan 0.000 0.451 26 V N 0.661 120.515 119.914 -0.099 0.000 2.358 26 V HA -0.148 3.972 4.120 0.000 0.000 0.246 26 V C 2.887 178.985 176.094 0.007 0.000 1.047 26 V CA 2.021 64.294 62.300 -0.046 0.000 1.035 26 V CB -1.193 30.612 31.823 -0.030 0.000 0.658 26 V HN 0.657 nan 8.190 nan 0.000 0.452 27 A N -0.734 122.125 122.820 0.064 0.000 1.972 27 A HA -0.151 4.169 4.320 0.000 0.000 0.219 27 A C 2.262 180.017 177.584 0.284 0.000 1.169 27 A CA 1.749 53.896 52.037 0.184 0.000 0.635 27 A CB -0.431 18.704 19.000 0.224 0.000 0.810 27 A HN 0.481 nan 8.150 nan 0.000 0.446 28 L N -1.187 120.083 121.223 0.080 0.000 2.068 28 L HA -0.099 4.241 4.340 0.000 0.000 0.204 28 L C 2.804 179.510 176.870 -0.274 0.000 1.076 28 L CA 1.113 55.726 54.840 -0.378 0.000 0.753 28 L CB -0.317 41.437 42.059 -0.509 0.000 0.910 28 L HN 0.368 nan 8.230 nan 0.000 0.439 29 R N -0.319 120.082 120.500 -0.165 0.000 2.105 29 R HA -0.200 4.140 4.340 0.000 0.000 0.239 29 R C 2.120 178.362 176.300 -0.097 0.000 1.135 29 R CA 1.511 57.525 56.100 -0.143 0.000 0.967 29 R CB -0.425 29.818 30.300 -0.096 0.000 0.861 29 R HN 0.471 nan 8.270 nan 0.000 0.442 30 N N 0.743 119.425 118.700 -0.030 0.000 2.039 30 N HA -0.151 4.589 4.740 0.000 0.000 0.193 30 N C 1.700 177.238 175.510 0.047 0.000 1.044 30 N CA 1.702 54.762 53.050 0.018 0.000 0.847 30 N CB -0.091 38.431 38.487 0.057 0.000 1.030 30 N HN 0.194 nan 8.380 nan 0.000 0.422 31 A N 1.397 124.285 122.820 0.113 0.000 1.940 31 A HA -0.111 4.209 4.320 0.000 0.000 0.219 31 A C 2.375 180.045 177.584 0.143 0.000 1.176 31 A CA 1.026 53.206 52.037 0.238 0.000 0.631 31 A CB -0.640 18.674 19.000 0.524 0.000 0.814 31 A HN 0.394 nan 8.150 nan 0.000 0.446 32 I N -0.605 119.842 120.570 -0.205 0.000 2.252 32 I HA -0.174 3.996 4.170 0.000 0.000 0.245 32 I C 2.710 178.765 176.117 -0.103 0.000 1.102 32 I CA 1.054 62.102 61.300 -0.420 0.000 1.385 32 I CB -0.696 36.965 38.000 -0.564 0.000 1.064 32 I HN 0.400 nan 8.210 nan 0.000 0.414 33 G N 0.942 109.704 108.800 -0.062 0.000 2.421 33 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 33 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 33 G C 1.364 176.279 174.900 0.025 0.000 1.171 33 G CA 0.905 45.992 45.100 -0.021 0.000 0.775 33 G HN 0.309 nan 8.290 nan 0.000 0.543 34 N N -0.453 118.287 118.700 0.066 0.000 2.104 34 N HA -0.139 4.601 4.740 0.000 0.000 0.190 34 N C 1.749 177.325 175.510 0.110 0.000 1.024 34 N CA 1.195 54.295 53.050 0.083 0.000 0.853 34 N CB -0.494 38.061 38.487 0.113 0.000 1.008 34 N HN 0.485 nan 8.380 nan 0.000 0.424 35 Y N 1.175 121.522 120.300 0.079 0.000 2.163 35 Y HA -0.009 4.541 4.550 0.000 0.000 0.288 35 Y C 1.970 177.894 175.900 0.039 0.000 1.136 35 Y CA 1.287 59.446 58.100 0.098 0.000 1.147 35 Y CB -0.316 38.309 38.460 0.275 0.000 0.987 35 Y HN 0.001 nan 8.280 nan 0.000 0.509 36 I N -0.159 120.440 120.570 0.048 0.000 2.264 36 I HA -0.329 3.841 4.170 0.000 0.000 0.248 36 I C 2.423 178.473 176.117 -0.111 0.000 1.111 36 I CA 2.011 63.278 61.300 -0.055 0.000 1.382 36 I CB -0.707 37.290 38.000 -0.005 0.000 1.060 36 I HN 0.430 nan 8.210 nan 0.000 0.418 37 T N -2.685 111.823 114.554 -0.076 0.000 2.901 37 T HA -0.018 4.332 4.350 0.000 0.000 0.252 37 T C 1.533 176.180 174.700 -0.089 0.000 1.035 37 T CA 0.913 62.971 62.100 -0.069 0.000 1.142 37 T CB -0.277 68.568 68.868 -0.038 0.000 0.869 37 T HN 0.355 nan 8.240 nan 0.000 0.442 38 S N -0.100 115.545 115.700 -0.091 0.000 2.749 38 S HA 0.531 5.001 4.470 0.000 0.000 0.246 38 S C 1.602 176.118 174.600 -0.140 0.000 1.023 38 S CA 0.152 58.297 58.200 -0.092 0.000 1.012 38 S CB -0.151 63.020 63.200 -0.048 0.000 0.942 38 S HN 1.155 nan 8.310 nan 0.000 0.531 39 G N 1.796 110.431 108.800 -0.276 0.000 2.269 39 G HA2 -0.345 3.615 3.960 0.000 0.000 0.277 39 G HA3 -0.345 3.615 3.960 0.000 0.000 0.277 39 G C -0.131 174.682 174.900 -0.145 0.000 1.008 39 G CA 0.741 45.582 45.100 -0.433 0.000 0.774 39 G HN 0.807 nan 8.290 nan 0.000 0.511 40 E N -0.425 119.765 120.200 -0.016 0.000 2.313 40 E HA 0.490 4.840 4.350 0.000 0.000 0.276 40 E C 0.023 176.712 176.600 0.148 0.000 1.031 40 E CA -0.827 55.602 56.400 0.048 0.000 0.857 40 E CB 0.323 30.047 29.700 0.040 0.000 1.040 40 E HN 0.123 nan 8.360 nan 0.000 0.408 41 L N 5.258 126.488 121.223 0.013 0.000 2.334 41 L HA 0.475 4.815 4.340 0.000 0.000 0.272 41 L C -2.044 174.798 176.870 -0.046 0.000 1.020 41 L CA -1.905 52.877 54.840 -0.096 0.000 0.812 41 L CB 0.783 42.652 42.059 -0.317 0.000 1.264 41 L HN 0.602 nan 8.230 nan 0.000 0.439 42 P HA 0.200 nan 4.420 nan 0.000 0.274 42 P C -1.444 175.829 177.300 -0.045 0.000 1.246 42 P CA -0.560 62.556 63.100 0.025 0.000 0.795 42 P CB 0.373 32.161 31.700 0.147 0.000 1.006 43 D N 1.315 121.684 120.400 -0.051 0.000 2.225 43 D HA 0.020 4.660 4.640 0.000 0.000 0.248 43 D C 0.543 176.796 176.300 -0.079 0.000 1.096 43 D CA -0.376 53.588 54.000 -0.061 0.000 0.863 43 D CB 1.180 41.949 40.800 -0.051 0.000 1.156 43 D HN 0.226 nan 8.370 nan 0.000 0.450 44 E N 2.553 122.716 120.200 -0.061 0.000 2.147 44 E HA -0.264 4.086 4.350 0.000 0.000 0.199 44 E C 1.392 177.953 176.600 -0.065 0.000 1.005 44 E CA 1.211 57.578 56.400 -0.056 0.000 0.810 44 E CB -0.242 29.438 29.700 -0.035 0.000 0.736 44 E HN 0.644 nan 8.360 nan 0.000 0.460 45 N N 0.671 119.335 118.700 -0.060 0.000 2.084 45 N HA -0.135 4.605 4.740 0.000 0.000 0.190 45 N C 1.705 177.168 175.510 -0.079 0.000 1.030 45 N CA 1.882 54.898 53.050 -0.057 0.000 0.849 45 N CB -0.210 38.250 38.487 -0.044 0.000 1.012 45 N HN 0.137 nan 8.380 nan 0.000 0.423 46 A N 0.767 123.526 122.820 -0.102 0.000 1.883 46 A HA -0.147 4.173 4.320 0.000 0.000 0.217 46 A C 2.223 179.689 177.584 -0.197 0.000 1.186 46 A CA 1.469 53.423 52.037 -0.137 0.000 0.624 46 A CB -0.604 18.304 19.000 -0.155 0.000 0.822 46 A HN 0.377 nan 8.150 nan 0.000 0.444 47 R N -0.483 119.865 120.500 -0.252 0.000 2.083 47 R HA -0.136 4.204 4.340 0.000 0.000 0.237 47 R C 2.251 178.468 176.300 -0.138 0.000 1.137 47 R CA 1.620 57.546 56.100 -0.289 0.000 0.951 47 R CB -0.343 29.815 30.300 -0.236 0.000 0.851 47 R HN 0.553 nan 8.270 nan 0.000 0.434 48 K N 0.664 121.010 120.400 -0.091 0.000 2.585 48 K HA -0.172 4.148 4.320 0.000 0.000 0.194 48 K C 1.322 177.892 176.600 -0.050 0.000 1.037 48 K CA 1.014 57.269 56.287 -0.054 0.000 0.964 48 K CB 0.228 32.703 32.500 -0.042 0.000 0.787 48 K HN -0.029 nan 8.250 nan 0.000 0.488 49 Q N -0.674 119.086 119.800 -0.067 0.000 2.219 49 Q HA 0.167 4.507 4.340 0.000 0.000 0.209 49 Q C 0.094 176.069 176.000 -0.043 0.000 0.854 49 Q CA 0.607 56.381 55.803 -0.049 0.000 0.960 49 Q CB 1.107 29.814 28.738 -0.052 0.000 1.116 49 Q HN 0.420 nan 8.270 nan 0.000 0.500 50 G N 0.447 109.216 108.800 -0.052 0.000 2.141 50 G HA2 -0.258 3.702 3.960 0.000 0.000 0.195 50 G HA3 -0.258 3.702 3.960 0.000 0.000 0.195 50 G C 0.359 175.232 174.900 -0.045 0.000 1.012 50 G CA 0.339 45.426 45.100 -0.021 0.000 0.696 50 G HN 0.339 nan 8.290 nan 0.000 0.508 51 L N -0.535 120.591 121.223 -0.161 0.000 2.027 51 L HA 0.362 4.702 4.340 0.000 0.000 0.206 51 L C 2.062 178.893 176.870 -0.064 0.000 1.074 51 L CA 2.211 56.903 54.840 -0.247 0.000 0.745 51 L CB -0.354 41.349 42.059 -0.593 0.000 0.898 51 L HN 0.389 nan 8.230 nan 0.000 0.433 52 F N -1.726 118.238 119.950 0.023 0.000 2.639 52 F HA 0.251 4.778 4.527 -0.000 0.000 0.302 52 F C 0.649 176.439 175.800 -0.017 0.000 1.097 52 F CA -0.924 57.079 58.000 0.004 0.000 1.294 52 F CB 0.352 39.379 39.000 0.045 0.000 1.027 52 F HN -0.279 nan 8.300 nan 0.000 0.550 53 V N 0.731 120.744 119.914 0.164 0.000 2.775 53 V HA -0.022 4.098 4.120 0.000 0.000 0.299 53 V C 0.030 176.228 176.094 0.174 0.000 1.062 53 V CA -0.472 61.924 62.300 0.161 0.000 1.063 53 V CB 0.556 32.462 31.823 0.139 0.000 0.994 53 V HN 0.082 nan 8.190 nan 0.000 0.483 54 Y N 4.617 125.051 120.300 0.224 0.000 2.326 54 Y HA 0.264 4.814 4.550 0.000 0.000 0.333 54 Y C -1.774 174.242 175.900 0.194 0.000 1.240 54 Y CA -1.610 56.637 58.100 0.245 0.000 1.365 54 Y CB 0.438 39.032 38.460 0.223 0.000 1.289 54 Y HN 0.481 nan 8.280 nan 0.000 0.548 55 P HA 0.058 nan 4.420 nan 0.000 0.272 55 P C -1.038 176.378 177.300 0.193 0.000 1.230 55 P CA -0.287 62.957 63.100 0.240 0.000 0.788 55 P CB 0.899 32.730 31.700 0.218 0.000 0.949 56 S N 1.506 117.290 115.700 0.139 0.000 2.519 56 S HA 0.575 5.045 4.470 0.000 0.000 0.309 56 S C -1.264 173.383 174.600 0.079 0.000 1.100 56 S CA -0.629 57.636 58.200 0.108 0.000 1.059 56 S CB -0.094 63.169 63.200 0.106 0.000 1.008 56 S HN 0.283 nan 8.310 nan 0.000 0.478 57 L N 5.377 126.635 121.223 0.058 0.000 2.287 57 L HA 0.696 5.036 4.340 0.000 0.000 0.287 57 L C -0.532 176.356 176.870 0.029 0.000 1.022 57 L CA 0.386 55.253 54.840 0.045 0.000 0.814 57 L CB 1.475 43.566 42.059 0.053 0.000 1.217 57 L HN 0.677 nan 8.230 nan 0.000 0.420 58 T N 4.394 118.971 114.554 0.038 0.000 2.841 58 T HA 0.705 5.055 4.350 0.000 0.000 0.283 58 T C -0.971 173.769 174.700 0.066 0.000 1.000 58 T CA -0.463 61.671 62.100 0.058 0.000 0.977 58 T CB 1.720 70.633 68.868 0.075 0.000 0.979 58 T HN 0.323 nan 8.240 nan 0.000 0.446 59 V N 3.278 123.268 119.914 0.127 0.000 2.525 59 V HA 0.547 4.667 4.120 0.000 0.000 0.299 59 V C -0.072 176.183 176.094 0.268 0.000 1.034 59 V CA -0.719 61.691 62.300 0.184 0.000 0.863 59 V CB 2.050 33.994 31.823 0.202 0.000 0.999 59 V HN 1.002 nan 8.190 nan 0.000 0.423 60 T N 3.774 118.473 114.554 0.242 0.000 2.888 60 T HA 0.581 4.931 4.350 0.000 0.000 0.284 60 T C -1.410 173.379 174.700 0.147 0.000 1.017 60 T CA -0.392 61.834 62.100 0.210 0.000 1.022 60 T CB 1.776 70.772 68.868 0.214 0.000 1.013 60 T HN 0.676 nan 8.240 nan 0.000 0.465 61 W N 3.779 124.937 121.300 -0.237 0.000 2.900 61 W HA 0.366 5.026 4.660 0.000 0.000 0.336 61 W C 0.463 176.869 176.519 -0.190 0.000 1.064 61 W CA -1.403 55.717 57.345 -0.375 0.000 1.237 61 W CB 1.247 30.076 29.460 -1.052 0.000 1.391 61 W HN 0.783 nan 8.180 nan 0.000 0.468 62 D N 2.333 122.417 120.400 -0.526 0.000 2.234 62 D HA 0.061 4.701 4.640 0.000 0.000 0.205 62 D C 1.493 177.267 176.300 -0.877 0.000 0.962 62 D CA 1.306 54.988 54.000 -0.530 0.000 0.855 62 D CB 0.050 40.646 40.800 -0.340 0.000 0.951 62 D HN 0.870 nan 8.370 nan 0.000 0.500 63 G N -0.081 107.575 108.800 -1.905 0.000 2.238 63 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 63 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 63 G C 0.238 174.539 174.900 -0.999 0.000 0.996 63 G CA 0.159 44.039 45.100 -2.033 0.000 0.632 63 G HN 0.409 nan 8.290 nan 0.000 0.503 64 S N 1.329 116.677 115.700 -0.586 0.000 2.475 64 S HA 0.715 5.185 4.470 0.000 0.000 0.281 64 S C -0.079 174.533 174.600 0.020 0.000 1.198 64 S CA 0.465 58.551 58.200 -0.189 0.000 1.063 64 S CB 1.715 64.824 63.200 -0.152 0.000 0.972 64 S HN 0.635 nan 8.310 nan 0.000 0.486 65 T N 2.016 116.629 114.554 0.099 0.000 3.225 65 T HA 0.186 4.536 4.350 0.000 0.000 0.356 65 T C 1.042 175.769 174.700 0.045 0.000 1.460 65 T CA -0.788 61.381 62.100 0.114 0.000 1.126 65 T CB 1.451 70.441 68.868 0.204 0.000 1.321 65 T HN 0.454 nan 8.240 nan 0.000 0.478 66 T N 2.541 117.098 114.554 0.004 0.000 2.428 66 T HA -0.122 4.228 4.350 0.000 0.000 0.248 66 T C 0.882 175.573 174.700 -0.014 0.000 1.284 66 T CA 1.599 63.693 62.100 -0.010 0.000 1.217 66 T CB -0.295 68.558 68.868 -0.024 0.000 0.864 66 T HN 0.814 nan 8.240 nan 0.000 0.402 67 N N 1.881 120.554 118.700 -0.043 0.000 2.648 67 N HA 0.355 5.095 4.740 0.000 0.000 0.261 67 N C -3.525 171.920 175.510 -0.109 0.000 1.138 67 N CA -1.289 51.730 53.050 -0.051 0.000 0.804 67 N CB 1.126 39.589 38.487 -0.041 0.000 1.237 67 N HN 0.159 nan 8.380 nan 0.000 0.532 68 P HA 0.281 nan 4.420 nan 0.000 0.271 68 P C -2.545 174.639 177.300 -0.194 0.000 1.233 68 P CA -0.805 62.102 63.100 -0.322 0.000 0.789 68 P CB -0.147 31.336 31.700 -0.363 0.000 0.951 69 P HA 0.063 nan 4.420 nan 0.000 0.267 69 P C 0.343 177.599 177.300 -0.074 0.000 1.328 69 P CA 0.181 63.211 63.100 -0.117 0.000 0.990 69 P CB 0.109 31.741 31.700 -0.114 0.000 1.168 70 K N 0.987 121.350 120.400 -0.063 0.000 2.365 70 K HA 0.002 4.322 4.320 0.000 0.000 0.197 70 K C 1.419 177.985 176.600 -0.056 0.000 1.042 70 K CA 1.183 57.445 56.287 -0.041 0.000 0.987 70 K CB -0.394 32.090 32.500 -0.026 0.000 0.779 70 K HN 0.431 nan 8.250 nan 0.000 0.484 71 T N -2.419 112.091 114.554 -0.074 0.000 2.990 71 T HA 0.128 4.478 4.350 0.000 0.000 0.250 71 T C 1.037 175.668 174.700 -0.115 0.000 1.041 71 T CA -0.383 61.669 62.100 -0.080 0.000 1.010 71 T CB 0.341 69.169 68.868 -0.067 0.000 1.003 71 T HN -0.027 nan 8.240 nan 0.000 0.499 72 R N 0.841 121.246 120.500 -0.158 0.000 2.640 72 R HA 0.429 4.769 4.340 0.000 0.000 0.270 72 R C 1.489 177.635 176.300 -0.258 0.000 1.024 72 R CA 0.476 56.416 56.100 -0.266 0.000 1.085 72 R CB 0.262 30.358 30.300 -0.340 0.000 0.963 72 R HN 0.285 nan 8.270 nan 0.000 0.426 73 A N 4.884 127.520 122.820 -0.306 0.000 2.016 73 A HA 0.049 4.369 4.320 0.000 0.000 0.217 73 A C 0.208 177.773 177.584 -0.031 0.000 1.162 73 A CA 0.822 52.790 52.037 -0.115 0.000 0.662 73 A CB -0.228 18.810 19.000 0.063 0.000 0.812 73 A HN 0.658 nan 8.150 nan 0.000 0.450 74 F N -4.892 115.035 119.950 -0.039 0.000 2.790 74 F HA 0.660 5.187 4.527 0.000 0.000 0.337 74 F C 0.848 176.563 175.800 -0.142 0.000 1.163 74 F CA -1.347 56.610 58.000 -0.072 0.000 0.997 74 F CB 0.417 39.397 39.000 -0.033 0.000 1.437 74 F HN 0.417 nan 8.300 nan 0.000 0.512 75 G N 1.274 110.159 108.800 0.143 0.000 2.323 75 G HA2 -0.225 3.735 3.960 0.000 0.000 0.292 75 G HA3 -0.225 3.735 3.960 0.000 0.000 0.292 75 G C -0.286 174.410 174.900 -0.341 0.000 1.040 75 G CA 0.253 45.298 45.100 -0.091 0.000 0.942 75 G HN 0.799 nan 8.290 nan 0.000 0.506 76 R N -1.782 118.441 120.500 -0.462 0.000 2.892 76 R HA 0.769 5.109 4.340 0.000 0.000 0.265 76 R C -0.997 174.735 176.300 -0.946 0.000 1.025 76 R CA -0.909 54.857 56.100 -0.557 0.000 0.982 76 R CB 1.117 31.278 30.300 -0.232 0.000 1.185 76 R HN 0.060 nan 8.270 nan 0.000 0.484 77 F N -0.512 118.967 119.950 -0.785 0.000 2.482 77 F HA 0.294 4.821 4.527 0.000 0.000 0.331 77 F C 1.099 176.671 175.800 -0.381 0.000 1.115 77 F CA -0.505 57.007 58.000 -0.814 0.000 0.955 77 F CB 2.355 40.531 39.000 -1.374 0.000 1.136 77 F HN 0.467 nan 8.300 nan 0.000 0.452 78 T N 0.630 115.166 114.554 -0.030 0.000 3.054 78 T HA 0.034 4.384 4.350 0.000 0.000 0.259 78 T C -0.459 174.427 174.700 0.309 0.000 1.092 78 T CA 0.899 63.072 62.100 0.122 0.000 1.121 78 T CB -0.358 68.613 68.868 0.172 0.000 0.912 78 T HN 0.745 nan 8.240 nan 0.000 0.489 79 H N -1.741 117.581 119.070 0.421 0.000 2.967 79 H HA 0.729 5.285 4.556 0.000 0.000 0.318 79 H C -0.952 174.730 175.328 0.591 0.000 1.375 79 H CA -1.161 55.156 56.048 0.448 0.000 1.132 79 H CB 0.462 30.377 29.762 0.255 0.000 1.848 79 H HN -0.025 nan 8.280 nan 0.000 0.524 80 A N 0.333 123.460 122.820 0.511 0.000 2.304 80 A HA 0.787 5.107 4.320 0.000 0.000 0.271 80 A C 0.893 178.639 177.584 0.270 0.000 1.091 80 A CA 0.462 52.653 52.037 0.257 0.000 0.812 80 A CB -0.374 18.538 19.000 -0.148 0.000 1.056 80 A HN 1.830 nan 8.150 nan 0.000 0.489 81 G N -0.755 108.119 108.800 0.122 0.000 2.340 81 G HA2 0.383 4.343 3.960 0.000 0.000 0.282 81 G HA3 0.383 4.343 3.960 0.000 0.000 0.282 81 G C -0.681 174.203 174.900 -0.027 0.000 1.312 81 G CA -0.170 44.917 45.100 -0.021 0.000 0.942 81 G HN 1.187 nan 8.290 nan 0.000 0.495 82 S N -0.331 115.255 115.700 -0.189 0.000 2.475 82 S HA 0.747 5.217 4.470 0.000 0.000 0.298 82 S C -1.424 173.040 174.600 -0.226 0.000 1.119 82 S CA -0.264 57.899 58.200 -0.062 0.000 1.085 82 S CB 1.012 64.204 63.200 -0.014 0.000 1.028 82 S HN 0.486 nan 8.310 nan 0.000 0.489 83 Y N 0.959 121.291 120.300 0.053 0.000 2.350 83 Y HA 0.601 5.151 4.550 0.000 0.000 0.338 83 Y C 0.630 176.518 175.900 -0.020 0.000 0.961 83 Y CA -0.618 57.493 58.100 0.019 0.000 1.100 83 Y CB 1.971 40.432 38.460 0.002 0.000 1.179 83 Y HN 0.543 nan 8.280 nan 0.000 0.454 84 T N 1.154 115.761 114.554 0.089 0.000 2.887 84 T HA 0.793 5.143 4.350 0.000 0.000 0.292 84 T C -1.200 173.493 174.700 -0.012 0.000 1.087 84 T CA -0.419 61.705 62.100 0.041 0.000 1.009 84 T CB 1.834 70.747 68.868 0.076 0.000 1.203 84 T HN 0.681 nan 8.240 nan 0.000 0.518 85 T N 1.203 115.745 114.554 -0.019 0.000 3.128 85 T HA 0.478 4.828 4.350 0.000 0.000 0.363 85 T C -0.613 174.078 174.700 -0.015 0.000 1.610 85 T CA -0.272 61.803 62.100 -0.041 0.000 1.126 85 T CB 0.805 69.606 68.868 -0.111 0.000 1.416 85 T HN 1.006 nan 8.240 nan 0.000 0.480 86 T N 2.877 117.414 114.554 -0.028 0.000 2.860 86 T HA 0.732 5.082 4.350 0.000 0.000 0.299 86 T C 0.238 174.884 174.700 -0.090 0.000 1.045 86 T CA -0.607 61.478 62.100 -0.025 0.000 1.071 86 T CB 0.363 69.171 68.868 -0.101 0.000 0.985 86 T HN 0.579 nan 8.240 nan 0.000 0.537 87 I N 0.538 121.088 120.570 -0.034 0.000 2.730 87 I HA 0.530 4.700 4.170 0.000 0.000 0.298 87 I C -0.041 176.063 176.117 -0.023 0.000 1.089 87 I CA -0.848 60.417 61.300 -0.059 0.000 1.041 87 I CB 2.649 40.650 38.000 0.002 0.000 1.235 87 I HN 0.787 nan 8.210 nan 0.000 0.423 88 T N 3.730 118.204 114.554 -0.134 0.000 2.896 88 T HA 0.410 4.760 4.350 0.000 0.000 0.297 88 T C -0.607 173.899 174.700 -0.324 0.000 1.108 88 T CA -0.455 61.514 62.100 -0.218 0.000 1.004 88 T CB 0.993 69.901 68.868 0.066 0.000 1.159 88 T HN 0.628 nan 8.240 nan 0.000 0.499 89 R N 1.287 121.339 120.500 -0.746 0.000 3.158 89 R HA -0.130 4.210 4.340 0.000 0.000 0.244 89 R C -2.321 173.958 176.300 -0.035 0.000 0.900 89 R CA 0.454 56.389 56.100 -0.275 0.000 0.618 89 R CB -2.062 28.253 30.300 0.025 0.000 1.061 89 R HN 0.588 nan 8.270 nan 0.000 0.471 90 P HA -0.124 nan 4.420 nan 0.000 0.218 90 P C 1.325 178.674 177.300 0.080 0.000 1.148 90 P CA 1.232 64.360 63.100 0.047 0.000 0.822 90 P CB 0.189 31.912 31.700 0.038 0.000 0.784 91 T N -0.136 114.451 114.554 0.054 0.000 2.737 91 T HA -0.129 4.221 4.350 0.000 0.000 0.265 91 T C 1.646 176.335 174.700 -0.019 0.000 1.038 91 T CA 0.992 63.113 62.100 0.035 0.000 1.144 91 T CB -0.930 67.964 68.868 0.044 0.000 0.866 91 T HN 0.016 nan 8.240 nan 0.000 0.434 92 L N 0.396 121.568 121.223 -0.087 0.000 2.079 92 L HA 0.063 4.403 4.340 0.000 0.000 0.210 92 L C 1.083 177.715 176.870 -0.395 0.000 1.081 92 L CA 1.772 56.444 54.840 -0.280 0.000 0.752 92 L CB -0.646 41.148 42.059 -0.441 0.000 0.896 92 L HN 0.196 nan 8.230 nan 0.000 0.433 93 F N -1.040 118.902 119.950 -0.013 0.000 2.668 93 F HA 0.258 4.785 4.527 0.000 0.000 0.297 93 F C 2.015 177.846 175.800 0.052 0.000 1.124 93 F CA -0.178 57.840 58.000 0.030 0.000 1.353 93 F CB -0.381 38.645 39.000 0.043 0.000 0.992 93 F HN 0.001 nan 8.300 nan 0.000 0.524 94 R N 0.609 121.181 120.500 0.120 0.000 2.103 94 R HA -0.175 4.165 4.340 0.000 0.000 0.234 94 R C 2.257 178.592 176.300 0.059 0.000 1.132 94 R CA 2.379 58.524 56.100 0.076 0.000 0.925 94 R CB -0.737 29.585 30.300 0.038 0.000 0.842 94 R HN 0.144 nan 8.270 nan 0.000 0.430 95 S N -0.393 115.340 115.700 0.054 0.000 2.365 95 S HA -0.250 4.220 4.470 0.000 0.000 0.221 95 S C 1.647 176.260 174.600 0.021 0.000 1.037 95 S CA 1.625 59.846 58.200 0.034 0.000 1.060 95 S CB -0.896 62.330 63.200 0.043 0.000 0.974 95 S HN 0.481 nan 8.310 nan 0.000 0.427 96 Y N 2.355 122.635 120.300 -0.033 0.000 2.014 96 Y HA -0.225 4.325 4.550 0.000 0.000 0.272 96 Y C 2.107 177.899 175.900 -0.179 0.000 1.164 96 Y CA 1.590 59.640 58.100 -0.083 0.000 1.114 96 Y CB -0.753 37.730 38.460 0.038 0.000 0.961 96 Y HN 0.142 nan 8.280 nan 0.000 0.489 97 L N 0.099 121.247 121.223 -0.124 0.000 2.042 97 L HA -0.283 4.057 4.340 0.000 0.000 0.210 97 L C 2.356 179.049 176.870 -0.294 0.000 1.076 97 L CA 1.848 56.527 54.840 -0.268 0.000 0.749 97 L CB -0.778 41.288 42.059 0.012 0.000 0.893 97 L HN 0.357 nan 8.230 nan 0.000 0.432 98 N N 0.247 118.846 118.700 -0.168 0.000 2.039 98 N HA -0.263 4.477 4.740 0.000 0.000 0.193 98 N C 1.830 177.224 175.510 -0.192 0.000 1.044 98 N CA 1.740 54.706 53.050 -0.139 0.000 0.847 98 N CB -0.077 38.365 38.487 -0.074 0.000 1.030 98 N HN 0.268 nan 8.380 nan 0.000 0.422 99 E N -0.591 119.477 120.200 -0.221 0.000 2.070 99 E HA -0.268 4.082 4.350 0.000 0.000 0.197 99 E C 1.700 178.111 176.600 -0.315 0.000 1.004 99 E CA 1.192 57.459 56.400 -0.221 0.000 0.805 99 E CB -0.020 29.553 29.700 -0.211 0.000 0.744 99 E HN 0.427 nan 8.360 nan 0.000 0.451 100 Q N 0.290 119.731 119.800 -0.598 0.000 2.050 100 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 100 Q C 2.486 178.226 176.000 -0.434 0.000 0.980 100 Q CA 1.049 56.399 55.803 -0.756 0.000 0.840 100 Q CB -0.381 27.321 28.738 -1.726 0.000 0.898 100 Q HN 0.418 nan 8.270 nan 0.000 0.424 101 L N 0.249 121.268 121.223 -0.340 0.000 2.093 101 L HA -0.154 4.186 4.340 0.000 0.000 0.208 101 L C 2.358 179.230 176.870 0.003 0.000 1.085 101 L CA 1.221 56.020 54.840 -0.069 0.000 0.755 101 L CB -0.574 41.454 42.059 -0.051 0.000 0.904 101 L HN 0.216 nan 8.230 nan 0.000 0.435 102 T N 0.296 114.825 114.554 -0.043 0.000 2.746 102 T HA -0.162 4.188 4.350 0.000 0.000 0.267 102 T C 1.972 176.732 174.700 0.098 0.000 1.039 102 T CA 1.185 63.314 62.100 0.047 0.000 1.142 102 T CB -0.224 68.646 68.868 0.003 0.000 0.866 102 T HN 0.186 nan 8.240 nan 0.000 0.444 103 L N 0.501 121.739 121.223 0.024 0.000 2.012 103 L HA -0.083 4.257 4.340 0.000 0.000 0.210 103 L C 2.470 179.403 176.870 0.105 0.000 1.073 103 L CA 1.305 56.171 54.840 0.043 0.000 0.748 103 L CB -0.632 41.426 42.059 -0.001 0.000 0.891 103 L HN 0.270 nan 8.230 nan 0.000 0.431 104 L N -2.096 119.177 121.223 0.083 0.000 2.217 104 L HA -0.218 4.122 4.340 0.000 0.000 0.211 104 L C 2.548 179.604 176.870 0.309 0.000 1.107 104 L CA 0.916 55.842 54.840 0.143 0.000 0.783 104 L CB -0.602 41.501 42.059 0.072 0.000 0.919 104 L HN 0.213 nan 8.230 nan 0.000 0.442 105 Y N 1.235 121.615 120.300 0.132 0.000 2.153 105 Y HA -0.208 4.342 4.550 0.000 0.000 0.289 105 Y C 2.663 178.643 175.900 0.133 0.000 1.127 105 Y CA 1.571 59.752 58.100 0.134 0.000 1.131 105 Y CB -0.094 38.416 38.460 0.083 0.000 0.995 105 Y HN 0.162 nan 8.280 nan 0.000 0.505 106 Q N -0.960 118.928 119.800 0.147 0.000 2.269 106 Q HA -0.074 4.266 4.340 0.000 0.000 0.201 106 Q C 0.949 176.963 176.000 0.023 0.000 0.946 106 Q CA 1.334 57.157 55.803 0.033 0.000 0.877 106 Q CB 0.113 28.899 28.738 0.080 0.000 0.963 106 Q HN 0.470 nan 8.270 nan 0.000 0.472 107 D N -1.150 119.301 120.400 0.085 0.000 2.366 107 D HA -0.010 4.630 4.640 0.000 0.000 0.205 107 D C 0.359 176.600 176.300 -0.099 0.000 1.022 107 D CA 0.754 54.750 54.000 -0.006 0.000 0.868 107 D CB 0.354 41.161 40.800 0.011 0.000 0.953 107 D HN 0.220 nan 8.370 nan 0.000 0.514 108 Y N -0.861 119.470 120.300 0.052 0.000 2.499 108 Y HA 0.321 4.871 4.550 0.000 0.000 0.253 108 Y C 1.309 177.335 175.900 0.211 0.000 1.105 108 Y CA -0.142 58.046 58.100 0.146 0.000 1.240 108 Y CB 0.898 39.355 38.460 -0.004 0.000 1.289 108 Y HN -0.084 nan 8.280 nan 0.000 0.534 109 G N 1.693 110.616 108.800 0.205 0.000 2.350 109 G HA2 -0.091 3.869 3.960 0.000 0.000 0.298 109 G HA3 -0.091 3.869 3.960 0.000 0.000 0.298 109 G C 0.187 175.205 174.900 0.197 0.000 1.037 109 G CA 0.160 45.294 45.100 0.056 0.000 1.074 109 G HN 0.613 nan 8.290 nan 0.000 0.511 110 A N 0.065 123.058 122.820 0.287 0.000 2.322 110 A HA 0.638 4.958 4.320 0.000 0.000 0.269 110 A C 0.302 178.102 177.584 0.359 0.000 1.094 110 A CA -0.091 52.151 52.037 0.343 0.000 0.807 110 A CB 0.482 19.708 19.000 0.376 0.000 1.047 110 A HN 1.291 nan 8.150 nan 0.000 0.487 111 H N 1.945 121.142 119.070 0.211 0.000 2.846 111 H HA 0.491 5.047 4.556 0.000 0.000 0.278 111 H C -0.466 174.973 175.328 0.184 0.000 1.117 111 H CA -0.375 55.786 56.048 0.188 0.000 1.406 111 H CB -0.319 29.517 29.762 0.123 0.000 1.445 111 H HN 0.453 nan 8.280 nan 0.000 0.469 112 I N 4.350 124.848 120.570 -0.120 0.000 2.440 112 I HA 0.253 4.423 4.170 0.000 0.000 0.294 112 I C -0.103 175.822 176.117 -0.320 0.000 0.995 112 I CA -0.415 60.799 61.300 -0.144 0.000 1.306 112 I CB 1.224 39.204 38.000 -0.033 0.000 1.407 112 I HN 0.687 nan 8.210 nan 0.000 0.501 113 S N 4.646 120.235 115.700 -0.185 0.000 2.543 113 S HA 0.705 5.175 4.470 0.000 0.000 0.271 113 S C -1.074 173.515 174.600 -0.019 0.000 1.148 113 S CA -0.800 57.328 58.200 -0.121 0.000 0.914 113 S CB 1.734 64.861 63.200 -0.123 0.000 1.096 113 S HN 0.260 nan 8.310 nan 0.000 0.471 114 V N 3.558 123.477 119.914 0.008 0.000 2.628 114 V HA 0.880 5.000 4.120 0.000 0.000 0.306 114 V C -0.845 175.281 176.094 0.052 0.000 1.045 114 V CA -0.403 61.920 62.300 0.039 0.000 0.905 114 V CB 1.567 33.417 31.823 0.045 0.000 0.997 114 V HN 1.080 nan 8.190 nan 0.000 0.436 115 Q N 3.260 123.101 119.800 0.067 0.000 2.647 115 Q HA 0.476 4.816 4.340 0.000 0.000 0.283 115 Q C -3.329 172.722 176.000 0.085 0.000 0.943 115 Q CA -2.097 53.747 55.803 0.069 0.000 0.813 115 Q CB 1.474 30.248 28.738 0.061 0.000 1.477 115 Q HN 0.372 nan 8.270 nan 0.000 0.393 116 P HA 0.066 nan 4.420 nan 0.000 0.268 116 P C -0.128 177.226 177.300 0.090 0.000 1.204 116 P CA 0.495 63.651 63.100 0.094 0.000 0.768 116 P CB 0.745 32.486 31.700 0.068 0.000 0.842 117 S N 2.640 118.416 115.700 0.126 0.000 2.646 117 S HA 0.203 4.673 4.470 0.000 0.000 0.273 117 S C 0.655 175.274 174.600 0.031 0.000 1.168 117 S CA -0.288 57.977 58.200 0.107 0.000 1.013 117 S CB 0.474 63.803 63.200 0.215 0.000 1.098 117 S HN 0.327 nan 8.310 nan 0.000 0.544 118 Q N 0.110 119.843 119.800 -0.113 0.000 2.219 118 Q HA 0.247 4.587 4.340 0.000 0.000 0.209 118 Q C -0.632 175.195 176.000 -0.287 0.000 0.854 118 Q CA 0.122 55.797 55.803 -0.214 0.000 0.960 118 Q CB 0.026 28.588 28.738 -0.293 0.000 1.116 118 Q HN 0.640 nan 8.270 nan 0.000 0.500 119 H N 0.776 119.945 119.070 0.166 0.000 2.504 119 H HA 0.349 4.905 4.556 0.000 0.000 0.322 119 H C -0.125 175.388 175.328 0.308 0.000 1.055 119 H CA -0.206 55.979 56.048 0.228 0.000 1.231 119 H CB 1.169 31.075 29.762 0.239 0.000 1.417 119 H HN 0.059 nan 8.280 nan 0.000 0.472 120 E N 2.812 123.224 120.200 0.352 0.000 2.343 120 E HA 0.248 4.598 4.350 0.000 0.000 0.269 120 E C 0.264 177.006 176.600 0.238 0.000 1.047 120 E CA -0.615 55.951 56.400 0.277 0.000 0.874 120 E CB 1.728 31.595 29.700 0.278 0.000 1.033 120 E HN 0.444 nan 8.360 nan 0.000 0.409 121 I N 3.942 124.502 120.570 -0.017 0.000 2.452 121 I HA 0.101 4.271 4.170 0.000 0.000 0.287 121 I C -2.120 174.024 176.117 0.045 0.000 1.079 121 I CA -1.984 59.213 61.300 -0.173 0.000 1.387 121 I CB 0.289 38.038 38.000 -0.418 0.000 1.404 121 I HN 0.121 nan 8.210 nan 0.000 0.522 122 P HA -0.071 nan 4.420 nan 0.000 0.267 122 P C 0.272 177.455 177.300 -0.196 0.000 1.209 122 P CA -0.010 63.059 63.100 -0.052 0.000 0.763 122 P CB 0.239 31.853 31.700 -0.143 0.000 0.816 123 Y N 5.861 126.052 120.300 -0.182 0.000 2.228 123 Y HA -0.162 4.388 4.550 0.000 0.000 0.285 123 Y C -1.141 174.608 175.900 -0.253 0.000 1.178 123 Y CA 1.409 59.354 58.100 -0.258 0.000 1.202 123 Y CB -2.957 35.304 38.460 -0.333 0.000 0.974 123 Y HN 0.348 nan 8.280 nan 0.000 0.527 124 P HA -0.160 nan 4.420 nan 0.000 0.219 124 P C 0.659 177.780 177.300 -0.298 0.000 1.146 124 P CA 1.699 64.452 63.100 -0.577 0.000 0.808 124 P CB -0.312 30.896 31.700 -0.819 0.000 0.779 125 Y N -1.381 118.862 120.300 -0.096 0.000 2.529 125 Y HA 0.051 4.601 4.550 0.000 0.000 0.290 125 Y C 1.777 177.665 175.900 -0.020 0.000 1.177 125 Y CA -0.135 57.948 58.100 -0.028 0.000 1.305 125 Y CB -0.961 37.523 38.460 0.040 0.000 1.047 125 Y HN -0.084 nan 8.280 nan 0.000 0.522 126 V N -3.474 116.476 119.914 0.059 0.000 3.528 126 V HA 0.339 4.459 4.120 0.000 0.000 0.294 126 V C 0.474 176.557 176.094 -0.018 0.000 1.404 126 V CA -0.292 62.009 62.300 0.003 0.000 1.065 126 V CB -0.573 31.207 31.823 -0.072 0.000 0.904 126 V HN 0.033 nan 8.190 nan 0.000 0.435 135 D N -1.813 118.591 120.400 0.006 0.000 2.958 135 D HA 0.559 5.199 4.640 0.000 0.000 0.306 135 D C -0.228 176.083 176.300 0.018 0.000 1.226 135 D CA -0.642 53.364 54.000 0.011 0.000 1.032 135 D CB 1.642 42.449 40.800 0.012 0.000 1.400 135 D HN 0.397 nan 8.370 nan 0.000 0.587 136 R N -1.072 119.441 120.500 0.022 0.000 2.637 136 R HA 0.294 4.634 4.340 0.000 0.000 0.262 136 R C 0.457 176.778 176.300 0.035 0.000 0.959 136 R CA -0.238 55.878 56.100 0.027 0.000 1.061 136 R CB 0.840 31.152 30.300 0.019 0.000 1.610 136 R HN 0.365 nan 8.270 nan 0.000 0.548 140 A N 1.677 124.531 122.820 0.057 0.000 1.898 140 A HA 0.323 4.643 4.320 0.000 0.000 0.216 140 A C 2.072 179.657 177.584 0.003 0.000 1.181 140 A CA 2.041 54.096 52.037 0.030 0.000 0.620 140 A CB -1.250 17.771 19.000 0.036 0.000 0.819 140 A HN 0.552 nan 8.150 nan 0.000 0.442 141 G N -0.201 108.646 108.800 0.078 0.000 2.394 141 G HA2 -0.069 3.891 3.960 0.000 0.000 0.214 141 G HA3 -0.069 3.891 3.960 0.000 0.000 0.214 141 G C 1.562 176.409 174.900 -0.089 0.000 1.176 141 G CA 0.856 46.003 45.100 0.078 0.000 0.786 141 G HN 0.390 nan 8.290 nan 0.000 0.533 142 L N 1.212 122.405 121.223 -0.050 0.000 1.978 142 L HA -0.181 4.159 4.340 0.000 0.000 0.218 142 L C 3.326 180.231 176.870 0.058 0.000 1.075 142 L CA 2.103 56.890 54.840 -0.088 0.000 0.767 142 L CB -1.235 40.550 42.059 -0.457 0.000 0.890 142 L HN 0.451 nan 8.230 nan 0.000 0.434 143 T N -2.769 111.847 114.554 0.104 0.000 3.025 143 T HA -0.218 4.132 4.350 0.000 0.000 0.270 143 T C 1.870 176.558 174.700 -0.020 0.000 1.126 143 T CA 1.083 63.267 62.100 0.140 0.000 1.105 143 T CB -0.224 68.703 68.868 0.098 0.000 0.884 143 T HN 0.314 nan 8.240 nan 0.000 0.522 144 R N -0.701 119.685 120.500 -0.190 0.000 2.090 144 R HA 0.108 4.448 4.340 0.000 0.000 0.219 144 R C 1.301 177.301 176.300 -0.499 0.000 1.100 144 R CA 0.685 56.531 56.100 -0.422 0.000 0.991 144 R CB 0.067 29.935 30.300 -0.720 0.000 0.893 144 R HN 0.503 nan 8.270 nan 0.000 0.443 145 Y N -1.465 118.699 120.300 -0.227 0.000 2.449 145 Y HA 0.296 4.846 4.550 0.000 0.000 0.254 145 Y C -0.144 175.403 175.900 -0.588 0.000 1.140 145 Y CA -0.312 57.526 58.100 -0.437 0.000 1.272 145 Y CB 0.440 38.494 38.460 -0.677 0.000 1.114 145 Y HN -0.123 nan 8.280 nan 0.000 0.525 146 F N 0.004 119.957 119.950 0.005 0.000 2.594 146 F HA 0.572 5.099 4.527 -0.000 0.000 0.335 146 F C -2.356 173.513 175.800 0.115 0.000 1.058 146 F CA -3.232 54.789 58.000 0.034 0.000 0.981 146 F CB 0.680 39.613 39.000 -0.112 0.000 1.289 146 F HN -0.337 nan 8.300 nan 0.000 0.490 147 P HA 0.265 nan 4.420 nan 0.000 0.276 147 P C -0.825 176.575 177.300 0.166 0.000 1.243 147 P CA 0.132 63.371 63.100 0.232 0.000 0.768 147 P CB 0.785 32.611 31.700 0.210 0.000 0.856 148 T N 0.943 115.545 114.554 0.080 0.000 2.718 148 T HA 0.520 4.870 4.350 0.000 0.000 0.267 148 T C 0.165 174.841 174.700 -0.040 0.000 0.957 148 T CA -0.549 61.519 62.100 -0.055 0.000 1.025 148 T CB 0.732 69.593 68.868 -0.012 0.000 1.355 148 T HN 0.147 nan 8.240 nan 0.000 0.572 169 S N 0.901 116.534 115.700 -0.111 0.000 2.681 169 S HA 0.754 5.224 4.470 0.000 0.000 0.299 169 S C -2.728 171.894 174.600 0.036 0.000 1.113 169 S CA -1.617 56.552 58.200 -0.051 0.000 1.013 169 S CB 1.740 64.847 63.200 -0.154 0.000 1.076 169 S HN 0.085 nan 8.310 nan 0.000 0.534 170 P HA 0.097 nan 4.420 nan 0.000 0.267 170 P C 0.393 177.701 177.300 0.013 0.000 1.205 170 P CA -0.208 62.902 63.100 0.017 0.000 0.765 170 P CB 0.380 32.070 31.700 -0.017 0.000 0.828 171 L N 3.468 124.628 121.223 -0.104 0.000 2.270 171 L HA 0.077 4.417 4.340 0.000 0.000 0.210 171 L C 0.633 177.168 176.870 -0.558 0.000 1.104 171 L CA 1.495 56.136 54.840 -0.331 0.000 0.804 171 L CB -0.270 41.502 42.059 -0.478 0.000 0.937 171 L HN 0.436 nan 8.230 nan 0.000 0.450 172 S N -3.690 111.785 115.700 -0.375 0.000 2.732 172 S HA 0.355 4.825 4.470 0.000 0.000 0.293 172 S C 0.765 175.163 174.600 -0.337 0.000 1.159 172 S CA -0.630 57.379 58.200 -0.317 0.000 0.847 172 S CB 0.438 63.597 63.200 -0.068 0.000 1.169 172 S HN 0.201 nan 8.310 nan 0.000 0.501 173 H N -0.187 118.754 119.070 -0.215 0.000 2.357 173 H HA 0.227 4.783 4.556 0.000 0.000 0.301 173 H C -0.344 174.590 175.328 -0.657 0.000 1.082 173 H CA 1.248 56.980 56.048 -0.527 0.000 1.342 173 H CB -0.118 29.126 29.762 -0.863 0.000 1.389 173 H HN 0.484 nan 8.280 nan 0.000 0.511 174 F N 1.371 121.361 119.950 0.067 0.000 2.546 174 F HA 0.233 4.760 4.527 0.000 0.000 0.320 174 F C 0.158 175.900 175.800 -0.098 0.000 1.076 174 F CA -1.504 56.483 58.000 -0.023 0.000 0.928 174 F CB 1.343 40.307 39.000 -0.059 0.000 1.189 174 F HN -0.012 nan 8.300 nan 0.000 0.465 175 D N 0.638 121.079 120.400 0.069 0.000 2.387 175 D HA 0.529 5.169 4.640 0.000 0.000 0.255 175 D C 0.984 177.179 176.300 -0.175 0.000 1.081 175 D CA -0.506 53.443 54.000 -0.085 0.000 0.994 175 D CB 0.993 41.714 40.800 -0.133 0.000 1.127 175 D HN 0.584 nan 8.370 nan 0.000 0.513 176 A N 0.730 123.351 122.820 -0.331 0.000 1.896 176 A HA -0.314 4.006 4.320 0.000 0.000 0.220 176 A C 2.129 179.447 177.584 -0.444 0.000 1.206 176 A CA 1.777 53.487 52.037 -0.544 0.000 0.647 176 A CB -0.686 17.594 19.000 -1.199 0.000 0.828 176 A HN 0.570 nan 8.150 nan 0.000 0.455 177 R N -1.088 119.190 120.500 -0.371 0.000 2.080 177 R HA -0.173 4.167 4.340 0.000 0.000 0.236 177 R C 2.319 178.587 176.300 -0.053 0.000 1.137 177 R CA 1.764 57.797 56.100 -0.112 0.000 0.943 177 R CB -0.761 29.500 30.300 -0.065 0.000 0.846 177 R HN 0.549 nan 8.270 nan 0.000 0.431 178 R N 1.306 121.771 120.500 -0.058 0.000 2.105 178 R HA -0.082 4.258 4.340 0.000 0.000 0.239 178 R C 2.102 178.396 176.300 -0.010 0.000 1.135 178 R CA 1.468 57.572 56.100 0.007 0.000 0.967 178 R CB -0.816 29.519 30.300 0.058 0.000 0.861 178 R HN 0.108 nan 8.270 nan 0.000 0.442 179 V N 0.905 120.758 119.914 -0.102 0.000 2.323 179 V HA -0.176 3.944 4.120 0.000 0.000 0.244 179 V C 1.817 177.822 176.094 -0.148 0.000 1.041 179 V CA 2.114 64.326 62.300 -0.147 0.000 1.025 179 V CB -0.572 31.150 31.823 -0.170 0.000 0.656 179 V HN 0.289 nan 8.190 nan 0.000 0.451 180 D N -0.311 119.957 120.400 -0.220 0.000 2.117 180 D HA -0.182 4.458 4.640 0.000 0.000 0.197 180 D C 1.905 177.881 176.300 -0.541 0.000 0.987 180 D CA 1.312 55.033 54.000 -0.465 0.000 0.829 180 D CB -0.261 40.048 40.800 -0.819 0.000 0.961 180 D HN 0.439 nan 8.370 nan 0.000 0.460 181 F N 1.678 121.362 119.950 -0.444 0.000 2.065 181 F HA -0.232 4.295 4.527 0.000 0.000 0.298 181 F C 2.415 178.124 175.800 -0.151 0.000 1.112 181 F CA 1.560 59.464 58.000 -0.159 0.000 1.212 181 F CB -0.320 38.674 39.000 -0.010 0.000 0.975 181 F HN -0.174 nan 8.300 nan 0.000 0.476 182 S N 0.696 116.284 115.700 -0.186 0.000 2.406 182 S HA -0.045 4.425 4.470 0.000 0.000 0.228 182 S C 2.078 176.462 174.600 -0.361 0.000 1.020 182 S CA 1.063 59.094 58.200 -0.281 0.000 0.965 182 S CB -0.388 62.805 63.200 -0.011 0.000 0.798 182 S HN 0.368 nan 8.310 nan 0.000 0.488 183 L N 1.111 122.168 121.223 -0.276 0.000 2.027 183 L HA -0.119 4.221 4.340 0.000 0.000 0.206 183 L C 2.829 179.547 176.870 -0.254 0.000 1.074 183 L CA 1.240 55.932 54.840 -0.246 0.000 0.745 183 L CB -0.774 41.180 42.059 -0.176 0.000 0.898 183 L HN 0.308 nan 8.230 nan 0.000 0.433 184 A N 0.113 122.779 122.820 -0.258 0.000 1.883 184 A HA -0.272 4.048 4.320 0.000 0.000 0.217 184 A C 2.354 179.762 177.584 -0.292 0.000 1.186 184 A CA 1.992 53.908 52.037 -0.201 0.000 0.624 184 A CB -0.516 18.427 19.000 -0.096 0.000 0.822 184 A HN 0.234 nan 8.150 nan 0.000 0.444 185 R N -0.567 119.631 120.500 -0.503 0.000 2.081 185 R HA 0.040 4.380 4.340 0.000 0.000 0.235 185 R C 2.090 178.155 176.300 -0.392 0.000 1.131 185 R CA 1.137 56.857 56.100 -0.632 0.000 0.960 185 R CB -0.683 28.892 30.300 -1.208 0.000 0.856 185 R HN 0.583 nan 8.270 nan 0.000 0.436 186 L N 0.008 121.042 121.223 -0.316 0.000 2.013 186 L HA -0.269 4.071 4.340 0.000 0.000 0.212 186 L C 2.615 179.472 176.870 -0.022 0.000 1.073 186 L CA 1.838 56.609 54.840 -0.114 0.000 0.753 186 L CB -0.339 41.555 42.059 -0.274 0.000 0.890 186 L HN 0.252 nan 8.230 nan 0.000 0.432 187 R N -1.049 119.409 120.500 -0.071 0.000 2.081 187 R HA -0.270 4.070 4.340 0.000 0.000 0.235 187 R C 2.402 178.691 176.300 -0.018 0.000 1.131 187 R CA 1.952 58.038 56.100 -0.024 0.000 0.960 187 R CB -0.344 29.927 30.300 -0.048 0.000 0.856 187 R HN 0.430 nan 8.270 nan 0.000 0.436 188 H N -0.596 118.365 119.070 -0.182 0.000 2.321 188 H HA -0.171 4.385 4.556 0.000 0.000 0.300 188 H C 1.293 176.552 175.328 -0.115 0.000 1.087 188 H CA 2.328 58.246 56.048 -0.217 0.000 1.319 188 H CB -0.343 29.141 29.762 -0.462 0.000 1.379 188 H HN 0.281 nan 8.280 nan 0.000 0.501 189 Y N -0.688 119.494 120.300 -0.197 0.000 2.337 189 Y HA 0.008 4.558 4.550 0.000 0.000 0.293 189 Y C 2.785 178.628 175.900 -0.094 0.000 1.123 189 Y CA 1.402 59.380 58.100 -0.204 0.000 1.201 189 Y CB -0.407 38.008 38.460 -0.075 0.000 1.011 189 Y HN 0.248 nan 8.280 nan 0.000 0.545 190 T N -1.752 112.839 114.554 0.062 0.000 3.009 190 T HA 0.152 4.502 4.350 0.000 0.000 0.258 190 T C 1.499 175.935 174.700 -0.440 0.000 1.063 190 T CA 1.012 63.074 62.100 -0.063 0.000 1.139 190 T CB -0.572 68.410 68.868 0.190 0.000 0.890 190 T HN 0.490 nan 8.240 nan 0.000 0.471 191 G N 1.923 110.370 108.800 -0.588 0.000 2.272 191 G HA2 -0.201 3.759 3.960 0.000 0.000 0.280 191 G HA3 -0.201 3.759 3.960 0.000 0.000 0.280 191 G C 0.120 174.708 174.900 -0.519 0.000 1.067 191 G CA 0.393 44.823 45.100 -1.117 0.000 0.902 191 G HN 0.559 nan 8.290 nan 0.000 0.500 192 T N -0.015 114.403 114.554 -0.226 0.000 2.932 192 T HA 0.559 4.909 4.350 0.000 0.000 0.318 192 T C -2.980 171.725 174.700 0.008 0.000 1.265 192 T CA -0.765 61.289 62.100 -0.077 0.000 1.036 192 T CB 2.969 71.826 68.868 -0.018 0.000 1.209 192 T HN 0.013 nan 8.240 nan 0.000 0.484 193 P HA 0.158 nan 4.420 nan 0.000 0.276 193 P C 1.288 178.531 177.300 -0.095 0.000 1.230 193 P CA -0.551 62.427 63.100 -0.203 0.000 0.776 193 P CB 0.530 31.935 31.700 -0.491 0.000 0.888 194 V N 0.887 120.781 119.914 -0.033 0.000 2.720 194 V HA -0.226 3.894 4.120 0.000 0.000 0.256 194 V C 1.217 177.306 176.094 -0.009 0.000 1.082 194 V CA 1.650 63.962 62.300 0.019 0.000 1.101 194 V CB -1.417 30.288 31.823 -0.196 0.000 0.693 194 V HN 0.333 nan 8.190 nan 0.000 0.479 195 E N 0.096 120.209 120.200 -0.145 0.000 2.418 195 E HA -0.051 4.299 4.350 0.000 0.000 0.197 195 E C 1.812 178.448 176.600 0.059 0.000 1.026 195 E CA 1.282 57.621 56.400 -0.101 0.000 0.862 195 E CB -0.616 29.012 29.700 -0.119 0.000 0.799 195 E HN 0.880 nan 8.360 nan 0.000 0.518 196 H N -1.382 117.657 119.070 -0.052 0.000 2.563 196 H HA 0.150 4.706 4.556 0.000 0.000 0.264 196 H C -0.177 174.853 175.328 -0.497 0.000 0.957 196 H CA -0.730 55.216 56.048 -0.171 0.000 1.173 196 H CB 0.189 29.877 29.762 -0.124 0.000 1.420 196 H HN 0.068 nan 8.280 nan 0.000 0.551 197 F N 2.775 122.449 119.950 -0.459 0.000 2.578 197 F HA -0.037 4.490 4.527 0.000 0.000 0.376 197 F C 0.750 176.510 175.800 -0.066 0.000 1.085 197 F CA -0.062 57.724 58.000 -0.356 0.000 1.260 197 F CB 0.563 39.462 39.000 -0.169 0.000 1.095 197 F HN 0.128 nan 8.300 nan 0.000 0.573 198 Q N 5.312 125.228 119.800 0.193 0.000 2.205 198 Q HA 0.240 4.580 4.340 0.000 0.000 0.249 198 Q C -1.639 174.460 176.000 0.165 0.000 0.948 198 Q CA -2.025 53.904 55.803 0.211 0.000 0.895 198 Q CB 0.743 29.659 28.738 0.296 0.000 1.249 198 Q HN 0.292 nan 8.270 nan 0.000 0.458 199 P HA -0.039 nan 4.420 nan 0.000 0.223 199 P C -0.493 176.536 177.300 -0.452 0.000 1.151 199 P CA 1.048 64.009 63.100 -0.232 0.000 0.787 199 P CB 0.212 31.674 31.700 -0.396 0.000 0.788 200 F N -0.524 119.509 119.950 0.138 0.000 2.361 200 F HA 0.269 4.796 4.527 -0.000 0.000 0.364 200 F C 0.265 176.119 175.800 0.090 0.000 1.117 200 F CA -1.015 57.056 58.000 0.117 0.000 1.071 200 F CB 0.790 39.865 39.000 0.126 0.000 1.188 200 F HN -0.403 nan 8.300 nan 0.000 0.464 201 V N 4.828 124.824 119.914 0.136 0.000 2.547 201 V HA 0.491 4.611 4.120 0.000 0.000 0.299 201 V C -0.529 175.461 176.094 -0.173 0.000 1.040 201 V CA -0.780 61.499 62.300 -0.035 0.000 0.913 201 V CB 1.959 33.715 31.823 -0.111 0.000 0.992 201 V HN 0.401 nan 8.190 nan 0.000 0.449 202 L N 4.260 125.300 121.223 -0.305 0.000 2.362 202 L HA 0.664 5.004 4.340 0.000 0.000 0.275 202 L C -0.962 175.689 176.870 -0.366 0.000 0.998 202 L CA -0.112 54.555 54.840 -0.288 0.000 0.820 202 L CB 1.595 43.504 42.059 -0.251 0.000 1.270 202 L HN 0.431 nan 8.230 nan 0.000 0.415 203 F N 1.106 120.992 119.950 -0.107 0.000 2.482 203 F HA 0.760 5.287 4.527 0.000 0.000 0.331 203 F C 0.421 176.105 175.800 -0.193 0.000 1.115 203 F CA -0.718 57.197 58.000 -0.140 0.000 0.955 203 F CB 2.247 41.153 39.000 -0.155 0.000 1.136 203 F HN 0.451 nan 8.300 nan 0.000 0.452 204 T N -1.086 113.480 114.554 0.019 0.000 2.903 204 T HA 0.394 4.744 4.350 0.000 0.000 0.299 204 T C -0.241 174.424 174.700 -0.058 0.000 1.093 204 T CA -0.935 61.069 62.100 -0.161 0.000 1.002 204 T CB 1.811 70.477 68.868 -0.336 0.000 1.127 204 T HN 0.490 nan 8.240 nan 0.000 0.488 205 N N 0.097 118.747 118.700 -0.082 0.000 2.234 205 N HA 0.147 4.887 4.740 0.000 0.000 0.227 205 N C -1.029 174.540 175.510 0.097 0.000 1.151 205 N CA -0.482 52.575 53.050 0.011 0.000 0.865 205 N CB -0.003 38.485 38.487 0.002 0.000 1.066 205 N HN 0.647 nan 8.380 nan 0.000 0.515 206 Y N 0.246 120.481 120.300 -0.109 0.000 2.329 206 Y HA 0.376 4.926 4.550 0.000 0.000 0.328 206 Y C 1.286 177.243 175.900 0.095 0.000 0.992 206 Y CA -1.087 56.993 58.100 -0.034 0.000 1.151 206 Y CB 1.572 39.940 38.460 -0.152 0.000 1.150 206 Y HN -0.094 nan 8.280 nan 0.000 0.450 207 T N 4.275 118.659 114.554 -0.283 0.000 2.649 207 T HA -0.203 4.147 4.350 0.000 0.000 0.268 207 T C 2.004 176.456 174.700 -0.412 0.000 1.036 207 T CA 2.084 63.963 62.100 -0.369 0.000 1.157 207 T CB -0.003 68.513 68.868 -0.587 0.000 0.861 207 T HN 0.632 nan 8.240 nan 0.000 0.445 208 R N -0.459 119.601 120.500 -0.734 0.000 2.211 208 R HA -0.126 4.214 4.340 0.000 0.000 0.240 208 R C 2.130 178.249 176.300 -0.301 0.000 1.144 208 R CA 1.323 57.113 56.100 -0.518 0.000 0.992 208 R CB -0.482 29.457 30.300 -0.601 0.000 0.869 208 R HN 0.572 nan 8.270 nan 0.000 0.462 209 Y N -0.358 119.817 120.300 -0.209 0.000 2.293 209 Y HA -0.216 4.334 4.550 0.000 0.000 0.291 209 Y C 2.453 178.289 175.900 -0.107 0.000 1.137 209 Y CA 1.398 59.438 58.100 -0.100 0.000 1.202 209 Y CB -0.282 38.126 38.460 -0.087 0.000 0.990 209 Y HN -0.051 nan 8.280 nan 0.000 0.537 210 V N -1.586 118.310 119.914 -0.030 0.000 2.548 210 V HA -0.172 3.948 4.120 0.000 0.000 0.249 210 V C 1.719 177.692 176.094 -0.202 0.000 1.055 210 V CA 2.053 64.233 62.300 -0.201 0.000 1.065 210 V CB -0.349 31.153 31.823 -0.535 0.000 0.681 210 V HN 0.236 nan 8.190 nan 0.000 0.462 211 D N 0.547 120.851 120.400 -0.160 0.000 2.092 211 D HA -0.221 4.419 4.640 0.000 0.000 0.193 211 D C 2.124 178.377 176.300 -0.079 0.000 0.994 211 D CA 2.168 56.091 54.000 -0.129 0.000 0.828 211 D CB -0.164 40.556 40.800 -0.133 0.000 0.963 211 D HN 0.627 nan 8.370 nan 0.000 0.450 212 E N 0.255 120.419 120.200 -0.060 0.000 2.085 212 E HA -0.171 4.179 4.350 0.000 0.000 0.194 212 E C 1.917 178.568 176.600 0.084 0.000 0.994 212 E CA 0.657 57.050 56.400 -0.011 0.000 0.801 212 E CB -0.526 29.140 29.700 -0.058 0.000 0.743 212 E HN 0.229 nan 8.360 nan 0.000 0.453 213 F N -0.081 119.830 119.950 -0.066 0.000 2.102 213 F HA -0.152 4.375 4.527 0.000 0.000 0.298 213 F C 2.034 177.849 175.800 0.026 0.000 1.105 213 F CA 1.340 59.337 58.000 -0.005 0.000 1.239 213 F CB -0.485 38.472 39.000 -0.071 0.000 0.991 213 F HN -0.059 nan 8.300 nan 0.000 0.474 214 V N 1.156 121.009 119.914 -0.103 0.000 2.343 214 V HA -0.290 3.830 4.120 0.000 0.000 0.247 214 V C 2.643 178.632 176.094 -0.174 0.000 1.051 214 V CA 2.214 64.387 62.300 -0.213 0.000 1.036 214 V CB -0.815 30.894 31.823 -0.189 0.000 0.654 214 V HN 0.312 nan 8.190 nan 0.000 0.451 215 R N -1.117 119.329 120.500 -0.090 0.000 2.082 215 R HA -0.277 4.063 4.340 0.000 0.000 0.234 215 R C 2.224 178.483 176.300 -0.068 0.000 1.136 215 R CA 2.645 58.707 56.100 -0.062 0.000 0.935 215 R CB -0.576 29.713 30.300 -0.018 0.000 0.842 215 R HN 0.623 nan 8.270 nan 0.000 0.430 216 W N 0.939 122.120 121.300 -0.199 0.000 2.342 216 W HA -0.111 4.549 4.660 0.000 0.000 0.297 216 W C 1.838 178.174 176.519 -0.304 0.000 1.213 216 W CA 2.045 59.265 57.345 -0.208 0.000 1.251 216 W CB -0.698 28.651 29.460 -0.184 0.000 1.136 216 W HN 0.270 nan 8.180 nan 0.000 0.526 217 G N -0.249 108.290 108.800 -0.435 0.000 2.414 217 G HA2 -0.314 3.646 3.960 0.000 0.000 0.215 217 G HA3 -0.314 3.646 3.960 0.000 0.000 0.215 217 G C 1.396 175.978 174.900 -0.530 0.000 1.188 217 G CA 1.447 46.128 45.100 -0.697 0.000 0.783 217 G HN 0.367 nan 8.290 nan 0.000 0.537 218 C N 0.330 119.419 119.300 -0.352 0.000 2.413 218 C HA -0.037 4.423 4.460 0.000 0.000 0.276 218 C C 3.363 178.194 174.990 -0.265 0.000 1.248 218 C CA 1.347 60.210 59.018 -0.258 0.000 1.742 218 C CB -0.858 26.778 27.740 -0.174 0.000 2.017 218 C HN 0.494 nan 8.230 nan 0.000 0.481 219 S N -0.143 115.383 115.700 -0.291 0.000 2.370 219 S HA -0.218 4.252 4.470 0.000 0.000 0.226 219 S C 1.993 176.396 174.600 -0.329 0.000 1.033 219 S CA 1.602 59.640 58.200 -0.269 0.000 1.011 219 S CB -0.295 62.753 63.200 -0.253 0.000 0.852 219 S HN 0.621 nan 8.310 nan 0.000 0.457 220 Q N 0.410 119.899 119.800 -0.519 0.000 2.167 220 Q HA 0.057 4.397 4.340 0.000 0.000 0.202 220 Q C 2.232 178.084 176.000 -0.247 0.000 0.970 220 Q CA 1.044 56.574 55.803 -0.455 0.000 0.855 220 Q CB -0.419 27.880 28.738 -0.732 0.000 0.911 220 Q HN 0.642 nan 8.270 nan 0.000 0.438 221 I N 0.136 120.556 120.570 -0.249 0.000 2.394 221 I HA -0.242 3.928 4.170 0.000 0.000 0.251 221 I C 1.582 177.619 176.117 -0.133 0.000 1.136 221 I CA 0.519 61.719 61.300 -0.167 0.000 1.425 221 I CB -0.085 37.801 38.000 -0.191 0.000 1.079 221 I HN 0.131 nan 8.210 nan 0.000 0.425 222 L N 0.003 121.142 121.223 -0.140 0.000 2.395 222 L HA -0.031 4.309 4.340 0.000 0.000 0.218 222 L C 0.893 177.709 176.870 -0.090 0.000 1.130 222 L CA 1.155 55.933 54.840 -0.104 0.000 0.826 222 L CB -0.897 41.102 42.059 -0.101 0.000 0.941 222 L HN 0.128 nan 8.230 nan 0.000 0.451 223 D N -0.346 119.992 120.400 -0.104 0.000 2.316 223 D HA 0.114 4.754 4.640 0.000 0.000 0.245 223 D C -1.766 174.491 176.300 -0.072 0.000 1.171 223 D CA -2.167 51.783 54.000 -0.083 0.000 0.856 223 D CB 1.716 42.461 40.800 -0.091 0.000 1.090 223 D HN -0.044 nan 8.370 nan 0.000 0.476 224 P HA -0.046 nan 4.420 nan 0.000 0.225 224 P C 0.310 177.579 177.300 -0.052 0.000 1.148 224 P CA 0.740 63.810 63.100 -0.050 0.000 0.779 224 P CB 0.374 32.051 31.700 -0.039 0.000 0.780 225 D N -1.739 118.630 120.400 -0.052 0.000 2.354 225 D HA 0.022 4.662 4.640 0.000 0.000 0.209 225 D C 0.672 176.930 176.300 -0.071 0.000 1.015 225 D CA 0.576 54.545 54.000 -0.052 0.000 0.867 225 D CB 0.031 40.808 40.800 -0.038 0.000 0.933 225 D HN 0.105 nan 8.370 nan 0.000 0.520 226 S N 1.073 116.723 115.700 -0.082 0.000 2.537 226 S HA 0.218 4.688 4.470 0.000 0.000 0.275 226 S C -1.782 172.714 174.600 -0.174 0.000 1.272 226 S CA -1.346 56.785 58.200 -0.116 0.000 1.050 226 S CB 1.767 64.924 63.200 -0.072 0.000 0.961 226 S HN -0.232 nan 8.310 nan 0.000 0.496 227 P HA 0.038 nan 4.420 nan 0.000 0.230 227 P C -0.780 176.327 177.300 -0.322 0.000 1.158 227 P CA 0.611 63.511 63.100 -0.334 0.000 0.769 227 P CB -0.052 31.390 31.700 -0.429 0.000 0.807 228 Y N 0.751 120.991 120.300 -0.099 0.000 2.531 228 Y HA 0.087 4.637 4.550 -0.000 0.000 0.347 228 Y C 1.788 177.596 175.900 -0.153 0.000 1.024 228 Y CA -0.350 57.670 58.100 -0.133 0.000 1.306 228 Y CB -0.535 37.797 38.460 -0.214 0.000 1.149 228 Y HN 0.008 nan 8.280 nan 0.000 0.527 229 I N -0.502 120.068 120.570 -0.000 0.000 4.181 229 I HA 0.675 4.845 4.170 0.000 0.000 0.331 229 I C 0.528 176.551 176.117 -0.157 0.000 1.312 229 I CA -0.051 61.211 61.300 -0.063 0.000 1.146 229 I CB 0.459 38.440 38.000 -0.032 0.000 1.074 229 I HN 0.418 nan 8.210 nan 0.000 0.402 230 A N 1.385 124.064 122.820 -0.235 0.000 2.609 230 A HA 0.781 5.101 4.320 0.000 0.000 0.291 230 A C -1.920 175.356 177.584 -0.514 0.000 1.096 230 A CA -0.491 51.220 52.037 -0.543 0.000 0.684 230 A CB 1.942 20.397 19.000 -0.908 0.000 1.282 230 A HN 0.220 nan 8.150 nan 0.000 0.412 231 L N 0.952 121.780 121.223 -0.659 0.000 2.471 231 L HA 0.598 4.938 4.340 0.000 0.000 0.263 231 L C -0.142 176.527 176.870 -0.334 0.000 0.985 231 L CA 0.090 54.707 54.840 -0.371 0.000 0.868 231 L CB 1.451 43.366 42.059 -0.240 0.000 1.203 231 L HN 0.696 nan 8.230 nan 0.000 0.429 232 S N 3.866 119.453 115.700 -0.189 0.000 2.528 232 S HA 0.528 4.998 4.470 0.000 0.000 0.277 232 S C -0.231 174.376 174.600 0.011 0.000 1.297 232 S CA -0.279 57.956 58.200 0.058 0.000 1.052 232 S CB -0.057 63.341 63.200 0.331 0.000 0.917 232 S HN 0.774 nan 8.310 nan 0.000 0.492 233 C N 3.929 123.209 119.300 -0.033 0.000 2.493 233 C HA 0.802 5.262 4.460 0.000 0.000 0.326 233 C C 0.795 175.491 174.990 -0.490 0.000 1.200 233 C CA -1.130 57.719 59.018 -0.281 0.000 1.739 233 C CB 0.626 28.379 27.740 0.023 0.000 2.300 233 C HN 1.012 nan 8.230 nan 0.000 0.500 234 A N 1.661 123.846 122.820 -1.057 0.000 2.524 234 A HA 0.494 4.814 4.320 0.000 0.000 0.250 234 A C 1.287 178.577 177.584 -0.490 0.000 1.078 234 A CA 0.980 52.466 52.037 -0.918 0.000 0.761 234 A CB -0.713 17.466 19.000 -1.367 0.000 1.012 234 A HN 2.150 nan 8.150 nan 0.000 0.500 235 G N 1.124 109.710 108.800 -0.357 0.000 2.436 235 G HA2 0.232 4.192 3.960 0.000 0.000 0.204 235 G HA3 0.232 4.192 3.960 0.000 0.000 0.204 235 G C 1.305 176.175 174.900 -0.050 0.000 1.026 235 G CA 0.898 45.932 45.100 -0.109 0.000 0.658 235 G HN 2.549 nan 8.290 nan 0.000 0.499 236 G N -0.112 108.657 108.800 -0.052 0.000 3.211 236 G HA2 -0.083 3.877 3.960 0.000 0.000 0.202 236 G HA3 -0.083 3.877 3.960 0.000 0.000 0.202 236 G C 0.051 175.008 174.900 0.095 0.000 1.035 236 G CA 0.561 45.676 45.100 0.025 0.000 0.846 236 G HN 1.022 nan 8.290 nan 0.000 0.464 237 N N 0.655 119.404 118.700 0.082 0.000 2.225 237 N HA 0.211 4.951 4.740 0.000 0.000 0.257 237 N C -0.424 175.211 175.510 0.208 0.000 1.252 237 N CA 0.762 53.888 53.050 0.126 0.000 0.833 237 N CB 0.183 38.725 38.487 0.092 0.000 1.068 237 N HN 0.416 nan 8.380 nan 0.000 0.468 238 W N 5.949 127.250 121.300 0.003 0.000 2.483 238 W HA 0.363 5.023 4.660 0.000 0.000 0.291 238 W C -1.544 174.964 176.519 -0.018 0.000 0.997 238 W CA -0.706 56.629 57.345 -0.016 0.000 1.591 238 W CB 0.214 29.664 29.460 -0.017 0.000 1.434 238 W HN 0.287 nan 8.180 nan 0.000 0.420 239 I N 3.871 124.291 120.570 -0.249 0.000 2.529 239 I HA 0.278 4.448 4.170 0.000 0.000 0.284 239 I C 0.850 176.719 176.117 -0.414 0.000 1.082 239 I CA 0.844 62.002 61.300 -0.236 0.000 1.406 239 I CB 1.509 39.411 38.000 -0.163 0.000 1.405 239 I HN 0.245 nan 8.210 nan 0.000 0.548 240 T N 3.227 117.641 114.554 -0.234 0.000 2.754 240 T HA 0.642 4.992 4.350 0.000 0.000 0.296 240 T C 0.853 175.488 174.700 -0.108 0.000 1.205 240 T CA 0.029 62.009 62.100 -0.199 0.000 1.009 240 T CB 1.200 70.013 68.868 -0.093 0.000 1.368 240 T HN 0.531 nan 8.240 nan 0.000 0.509 241 A N 0.623 123.394 122.820 -0.082 0.000 2.019 241 A HA 0.062 4.382 4.320 0.000 0.000 0.219 241 A C 1.196 178.759 177.584 -0.035 0.000 1.164 241 A CA 1.208 53.209 52.037 -0.061 0.000 0.644 241 A CB -0.329 18.640 19.000 -0.051 0.000 0.805 241 A HN 0.743 nan 8.150 nan 0.000 0.449 242 E N 1.006 121.198 120.200 -0.014 0.000 2.336 242 E HA 0.123 4.473 4.350 0.000 0.000 0.214 242 E C -0.625 175.981 176.600 0.011 0.000 1.144 242 E CA 0.041 56.444 56.400 0.004 0.000 1.294 242 E CB -0.516 29.198 29.700 0.022 0.000 1.263 242 E HN 0.291 nan 8.360 nan 0.000 0.439 243 T N 1.811 116.362 114.554 -0.005 0.000 2.829 243 T HA 0.168 4.518 4.350 0.000 0.000 0.282 243 T C 0.198 174.898 174.700 0.000 0.000 0.990 243 T CA -0.674 61.427 62.100 0.003 0.000 1.028 243 T CB 1.509 70.369 68.868 -0.014 0.000 0.951 243 T HN -0.021 nan 8.240 nan 0.000 0.460 244 E N 2.355 122.562 120.200 0.011 0.000 1.944 244 E HA 0.396 4.746 4.350 0.000 0.000 0.272 244 E C 0.334 176.937 176.600 0.006 0.000 1.195 244 E CA -0.162 56.243 56.400 0.008 0.000 0.926 244 E CB 0.056 29.765 29.700 0.015 0.000 1.051 244 E HN 0.948 nan 8.360 nan 0.000 0.404 245 A N 5.090 127.909 122.820 -0.002 0.000 1.848 245 A HA -0.109 4.211 4.320 0.000 0.000 0.241 245 A C -1.939 175.643 177.584 -0.004 0.000 1.341 245 A CA -0.422 51.613 52.037 -0.004 0.000 0.706 245 A CB -1.021 17.981 19.000 0.002 0.000 1.189 245 A HN 0.386 nan 8.150 nan 0.000 0.259 246 P HA 0.062 nan 4.420 nan 0.000 0.285 246 P C 0.870 178.162 177.300 -0.012 0.000 1.521 246 P CA 0.587 63.673 63.100 -0.023 0.000 0.792 246 P CB 0.263 31.933 31.700 -0.050 0.000 1.613 247 E N -0.438 119.763 120.200 0.001 0.000 2.318 247 E HA -0.106 4.244 4.350 0.000 0.000 0.193 247 E C 1.404 178.022 176.600 0.031 0.000 0.998 247 E CA 0.501 56.907 56.400 0.010 0.000 0.859 247 E CB -0.112 29.594 29.700 0.011 0.000 0.812 247 E HN 0.299 nan 8.360 nan 0.000 0.492 248 E N 1.361 121.582 120.200 0.036 0.000 2.515 248 E HA 0.001 4.351 4.350 0.000 0.000 0.201 248 E C 1.481 178.128 176.600 0.078 0.000 1.071 248 E CA 0.570 57.003 56.400 0.055 0.000 0.880 248 E CB -0.244 29.486 29.700 0.050 0.000 0.828 248 E HN 0.251 nan 8.360 nan 0.000 0.540 249 A N 0.611 123.474 122.820 0.071 0.000 1.849 249 A HA -0.177 4.143 4.320 0.000 0.000 0.216 249 A C 1.077 178.785 177.584 0.206 0.000 1.225 249 A CA 1.217 53.319 52.037 0.108 0.000 0.653 249 A CB -0.589 18.444 19.000 0.055 0.000 0.844 249 A HN 0.303 nan 8.150 nan 0.000 0.453 250 I N 1.056 121.741 120.570 0.193 0.000 2.329 250 I HA 0.102 4.272 4.170 0.000 0.000 0.295 250 I C 0.384 176.660 176.117 0.265 0.000 1.109 250 I CA -0.035 61.440 61.300 0.291 0.000 1.297 250 I CB 0.710 38.847 38.000 0.228 0.000 1.433 250 I HN 0.237 nan 8.210 nan 0.000 0.509 251 S N 4.807 120.659 115.700 0.253 0.000 2.422 251 S HA 0.066 4.536 4.470 0.000 0.000 0.283 251 S C 1.060 175.816 174.600 0.260 0.000 1.163 251 S CA -0.719 57.595 58.200 0.190 0.000 1.054 251 S CB 0.344 63.615 63.200 0.119 0.000 0.967 251 S HN 0.496 nan 8.310 nan 0.000 0.499 252 D N 4.149 124.710 120.400 0.268 0.000 2.190 252 D HA -0.127 4.513 4.640 0.000 0.000 0.200 252 D C 1.573 178.069 176.300 0.326 0.000 0.992 252 D CA 0.825 55.031 54.000 0.343 0.000 0.854 252 D CB -0.100 40.825 40.800 0.208 0.000 0.936 252 D HN 0.512 nan 8.370 nan 0.000 0.462 253 L N 0.340 121.684 121.223 0.202 0.000 2.549 253 L HA 0.026 4.366 4.340 0.000 0.000 0.229 253 L C 2.000 178.951 176.870 0.135 0.000 1.158 253 L CA 0.533 55.463 54.840 0.150 0.000 0.842 253 L CB -0.432 41.684 42.059 0.095 0.000 0.952 253 L HN -0.066 nan 8.230 nan 0.000 0.452 254 A N -1.026 121.869 122.820 0.124 0.000 1.902 254 A HA -0.219 4.101 4.320 0.000 0.000 0.217 254 A C 2.048 179.591 177.584 -0.068 0.000 1.181 254 A CA 1.638 53.657 52.037 -0.030 0.000 0.623 254 A CB -0.947 17.879 19.000 -0.291 0.000 0.818 254 A HN 0.635 nan 8.150 nan 0.000 0.443 255 W N 0.005 121.397 121.300 0.154 0.000 2.595 255 W HA -0.011 4.649 4.660 -0.000 0.000 0.257 255 W C 2.151 178.711 176.519 0.068 0.000 1.267 255 W CA 1.335 58.753 57.345 0.122 0.000 1.300 255 W CB -0.113 29.414 29.460 0.111 0.000 1.120 255 W HN 0.500 nan 8.180 nan 0.000 0.618 256 K N 1.745 122.270 120.400 0.208 0.000 2.166 256 K HA -0.108 4.212 4.320 0.000 0.000 0.201 256 K C 1.879 178.477 176.600 -0.004 0.000 1.052 256 K CA 1.166 57.517 56.287 0.108 0.000 0.969 256 K CB 0.017 32.572 32.500 0.092 0.000 0.761 256 K HN 0.057 nan 8.250 nan 0.000 0.459 257 K N -0.882 119.458 120.400 -0.102 0.000 2.361 257 K HA 0.073 4.393 4.320 0.000 0.000 0.194 257 K C -0.430 175.762 176.600 -0.680 0.000 1.032 257 K CA 0.168 56.249 56.287 -0.343 0.000 1.048 257 K CB 0.170 32.437 32.500 -0.389 0.000 0.842 257 K HN 0.116 nan 8.250 nan 0.000 0.526 258 H N 0.952 119.970 119.070 -0.086 0.000 2.609 258 H HA 0.172 4.728 4.556 0.000 0.000 0.344 258 H C -0.827 174.460 175.328 -0.068 0.000 1.040 258 H CA -0.805 55.162 56.048 -0.136 0.000 1.216 258 H CB 1.858 31.493 29.762 -0.211 0.000 1.529 258 H HN 0.054 nan 8.280 nan 0.000 0.519 262 A N 1.290 123.709 122.820 -0.669 0.000 2.386 262 A HA 0.943 5.263 4.320 0.000 0.000 0.308 262 A C -1.658 175.389 177.584 -0.895 0.000 1.128 262 A CA -0.561 51.170 52.037 -0.510 0.000 0.789 262 A CB 1.576 20.299 19.000 -0.460 0.000 1.325 262 A HN 0.454 nan 8.150 nan 0.000 0.437 263 W N 1.481 122.428 121.300 -0.589 0.000 2.968 263 W HA 0.340 5.000 4.660 -0.000 0.000 0.337 263 W C -1.147 175.109 176.519 -0.439 0.000 1.060 263 W CA -0.312 56.802 57.345 -0.386 0.000 1.240 263 W CB 1.516 30.980 29.460 0.007 0.000 1.370 263 W HN 0.705 nan 8.180 nan 0.000 0.459 264 H N 4.116 123.270 119.070 0.139 0.000 2.511 264 H HA 0.359 4.915 4.556 0.000 0.000 0.328 264 H C -0.364 175.013 175.328 0.081 0.000 1.044 264 H CA -0.646 55.458 56.048 0.094 0.000 1.212 264 H CB 2.714 32.454 29.762 -0.037 0.000 1.428 264 H HN 0.159 nan 8.280 nan 0.000 0.483 265 L N 5.675 127.038 121.223 0.233 0.000 2.272 265 L HA 0.327 4.667 4.340 0.000 0.000 0.284 265 L C -0.105 176.873 176.870 0.180 0.000 1.045 265 L CA -0.421 54.435 54.840 0.027 0.000 0.842 265 L CB 0.066 41.991 42.059 -0.224 0.000 1.224 265 L HN 0.455 nan 8.230 nan 0.000 0.430 266 I N 2.794 123.428 120.570 0.107 0.000 2.713 266 I HA 0.359 4.529 4.170 0.000 0.000 0.300 266 I C 0.653 176.872 176.117 0.170 0.000 1.009 266 I CA -0.292 61.093 61.300 0.142 0.000 1.305 266 I CB 1.849 39.872 38.000 0.039 0.000 1.430 266 I HN 0.498 nan 8.210 nan 0.000 0.546 267 T N 0.435 115.070 114.554 0.136 0.000 2.916 267 T HA 0.571 4.921 4.350 0.000 0.000 0.292 267 T C 0.671 175.400 174.700 0.049 0.000 1.064 267 T CA -0.315 61.815 62.100 0.049 0.000 1.011 267 T CB 1.839 70.697 68.868 -0.018 0.000 1.152 267 T HN 0.613 nan 8.240 nan 0.000 0.510 268 A N 1.321 124.153 122.820 0.019 0.000 1.917 268 A HA -0.093 4.227 4.320 0.000 0.000 0.219 268 A C 1.730 179.339 177.584 0.042 0.000 1.182 268 A CA 2.011 54.068 52.037 0.032 0.000 0.633 268 A CB -1.013 17.995 19.000 0.013 0.000 0.819 268 A HN 0.972 nan 8.150 nan 0.000 0.448 269 D N -1.313 119.109 120.400 0.037 0.000 2.319 269 D HA 0.263 4.903 4.640 0.000 0.000 0.230 269 D C 0.968 177.313 176.300 0.075 0.000 1.094 269 D CA 0.542 54.571 54.000 0.048 0.000 0.856 269 D CB -1.057 39.765 40.800 0.037 0.000 0.915 269 D HN 0.788 nan 8.370 nan 0.000 0.517 270 G N 1.308 110.162 108.800 0.091 0.000 2.350 270 G HA2 -0.269 3.691 3.960 0.000 0.000 0.298 270 G HA3 -0.269 3.691 3.960 0.000 0.000 0.298 270 G C 0.170 175.169 174.900 0.164 0.000 1.037 270 G CA -0.067 45.105 45.100 0.120 0.000 1.074 270 G HN 0.356 nan 8.290 nan 0.000 0.511 271 Q N -0.690 119.230 119.800 0.200 0.000 2.144 271 Q HA 0.332 4.672 4.340 0.000 0.000 0.305 271 Q C 1.271 177.485 176.000 0.356 0.000 0.876 271 Q CA 0.297 56.292 55.803 0.320 0.000 1.130 271 Q CB 0.693 29.578 28.738 0.246 0.000 1.267 271 Q HN 0.614 nan 8.270 nan 0.000 0.433 272 G N 0.475 109.496 108.800 0.369 0.000 2.546 272 G HA2 0.610 4.570 3.960 0.000 0.000 0.239 272 G HA3 0.610 4.570 3.960 0.000 0.000 0.239 272 G C -0.114 175.095 174.900 0.514 0.000 1.476 272 G CA -0.333 45.064 45.100 0.495 0.000 1.064 272 G HN 0.201 nan 8.290 nan 0.000 0.561 273 I N -0.514 120.331 120.570 0.458 0.000 2.533 273 I HA 0.309 4.479 4.170 0.000 0.000 0.290 273 I C -0.590 175.741 176.117 0.357 0.000 1.056 273 I CA -0.401 61.142 61.300 0.405 0.000 1.057 273 I CB 2.615 40.854 38.000 0.399 0.000 1.240 273 I HN 0.227 nan 8.210 nan 0.000 0.423 274 T N 6.463 121.161 114.554 0.240 0.000 2.824 274 T HA 0.559 4.909 4.350 0.000 0.000 0.280 274 T C -0.835 173.790 174.700 -0.124 0.000 0.995 274 T CA -0.353 61.831 62.100 0.140 0.000 1.009 274 T CB 1.470 70.488 68.868 0.250 0.000 0.955 274 T HN 0.259 nan 8.240 nan 0.000 0.452 275 L N 5.144 126.187 121.223 -0.299 0.000 2.349 275 L HA 0.748 5.088 4.340 0.000 0.000 0.278 275 L C -1.289 175.493 176.870 -0.147 0.000 0.996 275 L CA -0.541 54.046 54.840 -0.422 0.000 0.825 275 L CB 1.418 42.877 42.059 -0.999 0.000 1.243 275 L HN 0.413 nan 8.230 nan 0.000 0.412 276 V N 4.795 124.687 119.914 -0.037 0.000 2.448 276 V HA 0.391 4.511 4.120 0.000 0.000 0.295 276 V C 0.006 176.221 176.094 0.201 0.000 1.025 276 V CA -0.679 61.706 62.300 0.140 0.000 0.859 276 V CB 1.543 33.539 31.823 0.289 0.000 0.988 276 V HN 0.832 nan 8.190 nan 0.000 0.431 277 N N 4.201 123.039 118.700 0.231 0.000 2.602 277 N HA 0.225 4.965 4.740 0.000 0.000 0.238 277 N C 1.284 176.900 175.510 0.176 0.000 1.084 277 N CA -0.365 52.826 53.050 0.236 0.000 0.952 277 N CB 0.670 39.405 38.487 0.414 0.000 1.244 277 N HN 0.868 nan 8.380 nan 0.000 0.512 278 I N 0.838 121.463 120.570 0.092 0.000 3.001 278 I HA 0.184 4.354 4.170 0.000 0.000 0.268 278 I C 1.103 177.219 176.117 -0.000 0.000 1.267 278 I CA 0.371 61.661 61.300 -0.016 0.000 1.472 278 I CB -0.530 37.354 38.000 -0.193 0.000 1.089 278 I HN 0.590 nan 8.210 nan 0.000 0.468 279 G N 1.142 109.980 108.800 0.063 0.000 2.498 279 G HA2 -0.221 3.739 3.960 0.000 0.000 0.245 279 G HA3 -0.221 3.739 3.960 0.000 0.000 0.245 279 G C -0.421 174.497 174.900 0.030 0.000 1.204 279 G CA 0.069 45.213 45.100 0.073 0.000 0.933 279 G HN 0.850 nan 8.290 nan 0.000 0.574 280 V N 0.186 120.115 119.914 0.025 0.000 2.789 280 V HA 0.951 5.071 4.120 0.000 0.000 0.311 280 V C 0.447 176.540 176.094 -0.001 0.000 1.073 280 V CA 1.293 63.602 62.300 0.016 0.000 0.921 280 V CB 1.229 33.079 31.823 0.045 0.000 1.009 280 V HN 3.101 nan 8.190 nan 0.000 0.426 281 G N 5.594 114.387 108.800 -0.012 0.000 2.640 281 G HA2 -0.010 3.950 3.960 0.000 0.000 0.686 281 G HA3 -0.010 3.950 3.960 0.000 0.000 0.686 281 G C -2.757 172.110 174.900 -0.055 0.000 1.229 281 G CA -0.147 44.943 45.100 -0.016 0.000 0.796 281 G HN 0.651 nan 8.290 nan 0.000 0.654 282 P HA 0.006 nan 4.420 nan 0.000 0.217 282 P C 2.110 179.361 177.300 -0.082 0.000 1.151 282 P CA 1.734 64.788 63.100 -0.078 0.000 0.828 282 P CB 0.157 31.822 31.700 -0.058 0.000 0.788 283 S N -0.164 115.506 115.700 -0.051 0.000 2.359 283 S HA -0.213 4.257 4.470 0.000 0.000 0.224 283 S C 1.678 176.222 174.600 -0.093 0.000 1.035 283 S CA 1.974 60.145 58.200 -0.048 0.000 1.018 283 S CB -1.301 61.889 63.200 -0.017 0.000 0.876 283 S HN 0.349 nan 8.310 nan 0.000 0.448 284 N N 1.501 120.135 118.700 -0.110 0.000 2.216 284 N HA 0.103 4.843 4.740 0.000 0.000 0.183 284 N C 1.887 177.256 175.510 -0.234 0.000 1.017 284 N CA 0.825 53.775 53.050 -0.167 0.000 0.861 284 N CB -0.266 38.144 38.487 -0.128 0.000 0.986 284 N HN 0.387 nan 8.380 nan 0.000 0.428 285 A N 1.699 124.379 122.820 -0.232 0.000 1.902 285 A HA -0.197 4.123 4.320 0.000 0.000 0.217 285 A C 2.087 179.482 177.584 -0.315 0.000 1.181 285 A CA 1.354 53.190 52.037 -0.336 0.000 0.623 285 A CB -0.462 18.356 19.000 -0.302 0.000 0.818 285 A HN 0.214 nan 8.150 nan 0.000 0.443 286 K N -0.858 119.418 120.400 -0.207 0.000 2.026 286 K HA -0.137 4.183 4.320 0.000 0.000 0.208 286 K C 2.057 178.558 176.600 -0.164 0.000 1.048 286 K CA 1.867 58.066 56.287 -0.147 0.000 0.929 286 K CB -0.425 32.025 32.500 -0.083 0.000 0.713 286 K HN 0.427 nan 8.250 nan 0.000 0.439 287 T N 1.898 116.335 114.554 -0.194 0.000 2.607 287 T HA -0.203 4.147 4.350 0.000 0.000 0.267 287 T C 1.812 176.321 174.700 -0.318 0.000 1.049 287 T CA 1.656 63.608 62.100 -0.247 0.000 1.162 287 T CB -0.284 68.412 68.868 -0.287 0.000 0.863 287 T HN 0.213 nan 8.240 nan 0.000 0.424 288 I N 0.765 121.149 120.570 -0.309 0.000 2.226 288 I HA -0.135 4.035 4.170 0.000 0.000 0.245 288 I C 2.418 178.410 176.117 -0.208 0.000 1.100 288 I CA 0.859 62.027 61.300 -0.219 0.000 1.374 288 I CB -0.540 37.317 38.000 -0.238 0.000 1.057 288 I HN 0.327 nan 8.210 nan 0.000 0.413 289 C N 0.310 119.428 119.300 -0.303 0.000 2.440 289 C HA -0.130 4.330 4.460 0.000 0.000 0.278 289 C C 2.383 177.344 174.990 -0.048 0.000 1.295 289 C CA 0.722 59.602 59.018 -0.229 0.000 1.738 289 C CB -1.268 26.330 27.740 -0.236 0.000 1.987 289 C HN 0.509 nan 8.230 nan 0.000 0.492 290 D N -0.033 120.286 120.400 -0.135 0.000 2.158 290 D HA -0.127 4.513 4.640 0.000 0.000 0.197 290 D C 1.966 177.982 176.300 -0.474 0.000 0.995 290 D CA 1.416 55.262 54.000 -0.257 0.000 0.846 290 D CB -0.360 40.243 40.800 -0.329 0.000 0.941 290 D HN 0.617 nan 8.370 nan 0.000 0.456 291 H N -0.354 118.629 119.070 -0.146 0.000 2.370 291 H HA 0.121 4.677 4.556 0.000 0.000 0.304 291 H C 2.398 177.584 175.328 -0.237 0.000 1.055 291 H CA 0.078 56.004 56.048 -0.204 0.000 1.373 291 H CB -0.626 29.061 29.762 -0.126 0.000 1.423 291 H HN 0.111 nan 8.280 nan 0.000 0.533 292 L N 0.887 122.100 121.223 -0.016 0.000 2.129 292 L HA -0.177 4.163 4.340 0.000 0.000 0.212 292 L C 2.546 179.462 176.870 0.076 0.000 1.087 292 L CA 0.917 55.775 54.840 0.030 0.000 0.757 292 L CB -0.347 41.837 42.059 0.208 0.000 0.896 292 L HN 0.213 nan 8.230 nan 0.000 0.434 293 A N -0.482 122.347 122.820 0.015 0.000 1.978 293 A HA -0.216 4.104 4.320 0.000 0.000 0.220 293 A C 2.186 179.646 177.584 -0.207 0.000 1.170 293 A CA 1.883 53.868 52.037 -0.087 0.000 0.636 293 A CB -0.969 17.695 19.000 -0.561 0.000 0.810 293 A HN 0.446 nan 8.150 nan 0.000 0.448 294 V N -2.450 117.169 119.914 -0.491 0.000 2.913 294 V HA -0.049 4.071 4.120 0.000 0.000 0.260 294 V C 1.854 177.887 176.094 -0.102 0.000 1.098 294 V CA 1.673 63.703 62.300 -0.451 0.000 1.121 294 V CB -0.794 30.693 31.823 -0.560 0.000 0.714 294 V HN 0.450 nan 8.190 nan 0.000 0.487 295 L N -0.252 120.926 121.223 -0.076 0.000 2.599 295 L HA 0.260 4.600 4.340 0.000 0.000 0.230 295 L C 0.897 177.724 176.870 -0.072 0.000 1.141 295 L CA -0.073 54.757 54.840 -0.016 0.000 0.877 295 L CB -0.315 41.678 42.059 -0.111 0.000 1.009 295 L HN 0.332 nan 8.230 nan 0.000 0.447 296 R N -1.352 119.092 120.500 -0.094 0.000 3.188 296 R HA -0.145 4.195 4.340 0.000 0.000 0.247 296 R C -2.244 173.990 176.300 -0.110 0.000 0.918 296 R CA 0.025 56.044 56.100 -0.135 0.000 0.629 296 R CB -2.204 27.886 30.300 -0.351 0.000 1.087 296 R HN 0.243 nan 8.270 nan 0.000 0.462 297 P HA 0.027 nan 4.420 nan 0.000 0.271 297 P C 0.696 177.905 177.300 -0.151 0.000 1.238 297 P CA -0.224 62.819 63.100 -0.095 0.000 0.794 297 P CB 0.530 32.230 31.700 0.001 0.000 0.959 298 D N -0.957 119.298 120.400 -0.241 0.000 2.327 298 D HA 0.126 4.766 4.640 0.000 0.000 0.205 298 D C 0.176 176.383 176.300 -0.155 0.000 0.989 298 D CA 0.856 54.769 54.000 -0.145 0.000 0.873 298 D CB 0.541 41.109 40.800 -0.387 0.000 0.955 298 D HN 0.067 nan 8.370 nan 0.000 0.515 299 V N 0.290 120.091 119.914 -0.188 0.000 3.088 299 V HA 0.418 4.538 4.120 0.000 0.000 0.272 299 V C -2.190 173.947 176.094 0.073 0.000 1.611 299 V CA -0.953 61.287 62.300 -0.100 0.000 0.990 299 V CB 1.611 33.460 31.823 0.043 0.000 1.234 299 V HN 0.135 nan 8.190 nan 0.000 0.453 300 W N 6.118 127.456 121.300 0.063 0.000 2.957 300 W HA 0.888 5.548 4.660 -0.000 0.000 0.336 300 W C -2.047 174.532 176.519 0.101 0.000 1.087 300 W CA -1.386 55.955 57.345 -0.007 0.000 1.235 300 W CB 0.695 30.128 29.460 -0.044 0.000 1.399 300 W HN 0.508 nan 8.180 nan 0.000 0.480 304 G N 2.910 111.643 108.800 -0.112 0.000 2.749 304 G HA2 0.561 4.521 3.960 0.000 0.000 0.300 304 G HA3 0.561 4.521 3.960 0.000 0.000 0.300 304 G C -1.320 173.731 174.900 0.253 0.000 1.352 304 G CA -0.673 44.362 45.100 -0.109 0.000 0.789 304 G HN 0.416 nan 8.290 nan 0.000 0.509 305 H N -1.662 117.454 119.070 0.076 0.000 2.505 305 H HA 0.539 5.095 4.556 0.000 0.000 0.355 305 H C 0.230 175.587 175.328 0.048 0.000 1.179 305 H CA -0.005 56.081 56.048 0.064 0.000 1.343 305 H CB 1.535 31.276 29.762 -0.035 0.000 1.501 305 H HN 0.802 nan 8.280 nan 0.000 0.569 306 C N -0.015 119.370 119.300 0.142 0.000 3.321 306 C HA 0.693 5.153 4.460 0.000 0.000 0.329 306 C C 0.203 175.221 174.990 0.047 0.000 1.394 306 C CA -0.873 58.196 59.018 0.085 0.000 1.291 306 C CB 0.676 28.453 27.740 0.062 0.000 1.606 306 C HN 0.947 nan 8.230 nan 0.000 0.463 307 G N 0.251 109.090 108.800 0.065 0.000 2.348 307 G HA2 0.615 4.575 3.960 0.000 0.000 0.312 307 G HA3 0.615 4.575 3.960 0.000 0.000 0.312 307 G C 0.144 175.068 174.900 0.040 0.000 1.126 307 G CA 0.076 45.227 45.100 0.085 0.000 0.865 307 G HN 1.574 nan 8.290 nan 0.000 0.474 308 G N 0.595 109.416 108.800 0.035 0.000 2.353 308 G HA2 0.437 4.397 3.960 0.000 0.000 0.284 308 G HA3 0.437 4.397 3.960 0.000 0.000 0.284 308 G C 0.661 175.606 174.900 0.075 0.000 1.172 308 G CA -0.611 44.498 45.100 0.015 0.000 0.854 308 G HN 0.557 nan 8.290 nan 0.000 0.485 309 L N 1.636 122.885 121.223 0.044 0.000 2.616 309 L HA 0.271 4.611 4.340 0.000 0.000 0.229 309 L C 0.819 177.818 176.870 0.215 0.000 1.110 309 L CA -0.072 54.838 54.840 0.116 0.000 0.884 309 L CB -0.070 41.983 42.059 -0.009 0.000 1.115 309 L HN 0.247 nan 8.230 nan 0.000 0.481 310 R N 0.798 121.366 120.500 0.114 0.000 2.407 310 R HA 0.126 4.466 4.340 0.000 0.000 0.303 310 R C 0.948 177.170 176.300 -0.130 0.000 0.981 310 R CA -0.283 55.855 56.100 0.063 0.000 0.905 310 R CB 1.423 31.721 30.300 -0.004 0.000 1.099 310 R HN 0.109 nan 8.270 nan 0.000 0.459 311 E N 0.951 120.981 120.200 -0.283 0.000 2.160 311 E HA -0.203 4.147 4.350 0.000 0.000 0.195 311 E C 1.023 177.433 176.600 -0.317 0.000 0.991 311 E CA 1.997 58.011 56.400 -0.644 0.000 0.810 311 E CB -0.133 29.360 29.700 -0.345 0.000 0.742 311 E HN 0.528 nan 8.360 nan 0.000 0.466 312 S N -0.733 114.866 115.700 -0.167 0.000 2.555 312 S HA -0.091 4.379 4.470 0.000 0.000 0.230 312 S C 0.827 175.360 174.600 -0.111 0.000 0.978 312 S CA -0.103 58.028 58.200 -0.114 0.000 0.934 312 S CB -0.283 62.875 63.200 -0.069 0.000 0.766 312 S HN 0.292 nan 8.310 nan 0.000 0.533 313 Q N 0.943 120.667 119.800 -0.126 0.000 2.293 313 Q HA 0.660 5.000 4.340 0.000 0.000 0.251 313 Q C -0.533 175.396 176.000 -0.118 0.000 0.930 313 Q CA -0.238 55.500 55.803 -0.108 0.000 0.893 313 Q CB 1.413 30.099 28.738 -0.087 0.000 1.215 313 Q HN 0.543 nan 8.270 nan 0.000 0.425 314 A N 3.165 125.915 122.820 -0.117 0.000 2.350 314 A HA 0.497 4.817 4.320 0.000 0.000 0.324 314 A C -0.430 177.073 177.584 -0.135 0.000 1.118 314 A CA -0.787 51.180 52.037 -0.117 0.000 0.783 314 A CB 0.713 19.646 19.000 -0.112 0.000 1.236 314 A HN 0.799 nan 8.150 nan 0.000 0.457 315 I N 1.744 122.240 120.570 -0.122 0.000 2.821 315 I HA 0.180 4.350 4.170 0.000 0.000 0.294 315 I C 1.486 177.495 176.117 -0.180 0.000 1.210 315 I CA 2.102 63.317 61.300 -0.142 0.000 1.430 315 I CB 0.263 38.191 38.000 -0.120 0.000 1.356 315 I HN 1.120 nan 8.210 nan 0.000 0.563 316 G N 4.099 112.758 108.800 -0.234 0.000 2.238 316 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 316 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 316 G C 0.055 174.642 174.900 -0.523 0.000 0.996 316 G CA -0.448 44.467 45.100 -0.309 0.000 0.632 316 G HN 0.565 nan 8.290 nan 0.000 0.503 317 D N 0.057 120.211 120.400 -0.411 0.000 2.361 317 D HA 0.527 5.167 4.640 0.000 0.000 0.239 317 D C 0.085 176.080 176.300 -0.507 0.000 1.200 317 D CA 0.381 54.106 54.000 -0.458 0.000 0.915 317 D CB 0.318 40.981 40.800 -0.228 0.000 1.170 317 D HN 0.197 nan 8.370 nan 0.000 0.444 318 Y N -0.775 119.463 120.300 -0.103 0.000 2.420 318 Y HA 0.480 5.030 4.550 0.000 0.000 0.334 318 Y C 0.206 176.064 175.900 -0.070 0.000 1.094 318 Y CA -0.972 57.062 58.100 -0.111 0.000 1.126 318 Y CB 1.435 39.832 38.460 -0.106 0.000 1.217 318 Y HN -0.085 nan 8.280 nan 0.000 0.462 319 V N 4.216 124.207 119.914 0.129 0.000 2.531 319 V HA 0.344 4.464 4.120 0.000 0.000 0.301 319 V C -1.181 174.946 176.094 0.055 0.000 1.034 319 V CA -0.772 61.556 62.300 0.047 0.000 0.865 319 V CB 1.861 33.685 31.823 0.001 0.000 0.995 319 V HN 0.521 nan 8.190 nan 0.000 0.424 320 L N 5.474 126.712 121.223 0.025 0.000 2.276 320 L HA 0.830 5.170 4.340 0.000 0.000 0.286 320 L C 0.501 177.342 176.870 -0.049 0.000 1.024 320 L CA -0.228 54.632 54.840 0.032 0.000 0.826 320 L CB 0.995 43.098 42.059 0.074 0.000 1.211 320 L HN 0.745 nan 8.230 nan 0.000 0.422 321 A N 3.560 126.345 122.820 -0.057 0.000 2.454 321 A HA 0.351 4.671 4.320 0.000 0.000 0.260 321 A C 0.439 177.936 177.584 -0.145 0.000 1.106 321 A CA 0.247 52.161 52.037 -0.206 0.000 0.780 321 A CB -0.226 18.562 19.000 -0.353 0.000 1.044 321 A HN 0.958 nan 8.150 nan 0.000 0.498 322 H N 0.479 119.412 119.070 -0.229 0.000 2.652 322 H HA 0.629 5.185 4.556 0.000 0.000 0.274 322 H C -0.040 175.174 175.328 -0.190 0.000 1.021 322 H CA -0.196 55.761 56.048 -0.152 0.000 1.187 322 H CB -0.378 29.330 29.762 -0.090 0.000 1.505 322 H HN 0.963 nan 8.280 nan 0.000 0.530 323 A N -0.217 122.613 122.820 0.016 0.000 2.567 323 A HA 0.579 4.899 4.320 0.000 0.000 0.291 323 A C -2.176 175.179 177.584 -0.382 0.000 1.048 323 A CA -0.905 51.053 52.037 -0.133 0.000 0.661 323 A CB 0.657 19.620 19.000 -0.062 0.000 1.288 323 A HN 0.160 nan 8.150 nan 0.000 0.424 324 Y N -0.390 119.934 120.300 0.040 0.000 2.442 324 Y HA 0.600 5.150 4.550 0.000 0.000 0.344 324 Y C -0.294 175.584 175.900 -0.037 0.000 0.976 324 Y CA -0.743 57.353 58.100 -0.006 0.000 1.040 324 Y CB 2.147 40.592 38.460 -0.025 0.000 1.228 324 Y HN 0.595 nan 8.280 nan 0.000 0.451 325 L N 4.375 125.651 121.223 0.088 0.000 2.270 325 L HA 0.486 4.826 4.340 0.000 0.000 0.286 325 L C -0.262 176.611 176.870 0.004 0.000 1.059 325 L CA -0.710 54.144 54.840 0.024 0.000 0.839 325 L CB 0.224 42.273 42.059 -0.018 0.000 1.221 325 L HN 0.532 nan 8.230 nan 0.000 0.431 326 R N 3.509 124.003 120.500 -0.009 0.000 2.853 326 R HA 0.108 4.448 4.340 0.000 0.000 0.238 326 R C -0.442 175.794 176.300 -0.106 0.000 1.538 326 R CA 0.092 56.155 56.100 -0.062 0.000 1.166 326 R CB -0.181 30.076 30.300 -0.073 0.000 1.201 326 R HN 0.543 nan 8.270 nan 0.000 0.606 327 D N 0.862 121.175 120.400 -0.146 0.000 2.615 327 D HA -0.033 4.607 4.640 0.000 0.000 0.236 327 D C 0.346 176.365 176.300 -0.467 0.000 1.233 327 D CA 0.214 54.057 54.000 -0.262 0.000 0.829 327 D CB 0.538 41.257 40.800 -0.135 0.000 1.024 327 D HN 0.459 nan 8.370 nan 0.000 0.490 328 D N -1.072 119.114 120.400 -0.357 0.000 2.367 328 D HA -0.099 4.541 4.640 0.000 0.000 0.207 328 D C 0.879 177.048 176.300 -0.220 0.000 1.034 328 D CA 0.286 54.122 54.000 -0.273 0.000 0.861 328 D CB 0.080 40.793 40.800 -0.146 0.000 0.943 328 D HN 0.100 nan 8.370 nan 0.000 0.515 329 H N -0.326 118.736 119.070 -0.014 0.000 5.117 329 H HA -0.235 4.321 4.556 0.000 0.000 0.074 329 H C 1.909 177.226 175.328 -0.018 0.000 0.550 329 H CA 1.510 57.551 56.048 -0.011 0.000 1.091 329 H CB -1.651 28.112 29.762 0.001 0.000 0.520 329 H HN 0.240 nan 8.280 nan 0.000 0.712 330 V N 1.682 121.652 119.914 0.094 0.000 2.428 330 V HA -0.228 3.892 4.120 0.000 0.000 0.255 330 V C 2.180 178.283 176.094 0.015 0.000 1.080 330 V CA 2.597 64.922 62.300 0.041 0.000 1.083 330 V CB -0.433 31.392 31.823 0.005 0.000 0.665 330 V HN 0.378 nan 8.190 nan 0.000 0.461 331 L N -0.727 120.492 121.223 -0.007 0.000 2.808 331 L HA 0.204 4.544 4.340 0.000 0.000 0.246 331 L C 1.625 178.487 176.870 -0.014 0.000 1.153 331 L CA -0.080 54.746 54.840 -0.022 0.000 0.956 331 L CB 0.003 42.026 42.059 -0.060 0.000 1.270 331 L HN 0.218 nan 8.230 nan 0.000 0.528 332 D N 1.448 121.855 120.400 0.012 0.000 2.133 332 D HA -0.215 4.425 4.640 0.000 0.000 0.195 332 D C 2.225 178.531 176.300 0.009 0.000 0.997 332 D CA 1.658 55.668 54.000 0.017 0.000 0.840 332 D CB 0.152 40.984 40.800 0.053 0.000 0.947 332 D HN 0.339 nan 8.370 nan 0.000 0.452 333 A N 0.344 123.171 122.820 0.012 0.000 1.969 333 A HA -0.099 4.221 4.320 0.000 0.000 0.218 333 A C 2.324 179.911 177.584 0.006 0.000 1.169 333 A CA 1.841 53.884 52.037 0.009 0.000 0.635 333 A CB -0.416 18.592 19.000 0.012 0.000 0.810 333 A HN 0.262 nan 8.150 nan 0.000 0.445 334 V N -4.579 115.336 119.914 0.001 0.000 3.471 334 V HA 0.445 4.565 4.120 0.000 0.000 0.258 334 V C 0.494 176.583 176.094 -0.009 0.000 1.192 334 V CA 0.387 62.686 62.300 -0.001 0.000 1.116 334 V CB 0.105 31.926 31.823 -0.004 0.000 0.792 334 V HN 0.257 nan 8.190 nan 0.000 0.459 335 L N 1.912 123.124 121.223 -0.019 0.000 2.534 335 L HA 0.673 5.013 4.340 0.000 0.000 0.259 335 L C -2.886 173.963 176.870 -0.035 0.000 1.108 335 L CA -1.724 53.099 54.840 -0.029 0.000 0.905 335 L CB 1.440 43.463 42.059 -0.059 0.000 1.138 335 L HN 0.001 nan 8.230 nan 0.000 0.475 336 P HA 0.072 nan 4.420 nan 0.000 0.264 336 P C -2.057 175.226 177.300 -0.028 0.000 1.179 336 P CA -0.641 62.450 63.100 -0.014 0.000 0.763 336 P CB 0.189 31.886 31.700 -0.005 0.000 0.806 337 P HA -0.180 nan 4.420 nan 0.000 0.223 337 P C 0.773 178.057 177.300 -0.026 0.000 1.144 337 P CA 1.351 64.436 63.100 -0.025 0.000 0.783 337 P CB -0.198 31.501 31.700 -0.001 0.000 0.771 338 D N -1.459 118.930 120.400 -0.018 0.000 2.349 338 D HA -0.049 4.591 4.640 0.000 0.000 0.215 338 D C 0.533 176.819 176.300 -0.024 0.000 1.016 338 D CA 0.240 54.231 54.000 -0.015 0.000 0.870 338 D CB -0.232 40.566 40.800 -0.004 0.000 0.917 338 D HN 0.088 nan 8.370 nan 0.000 0.524 339 I N 3.784 124.330 120.570 -0.041 0.000 2.505 339 I HA 0.122 4.292 4.170 0.000 0.000 0.287 339 I C -1.974 174.079 176.117 -0.106 0.000 1.104 339 I CA -2.265 59.002 61.300 -0.055 0.000 1.387 339 I CB 0.057 38.018 38.000 -0.066 0.000 1.404 339 I HN -0.109 nan 8.210 nan 0.000 0.528 340 P HA 0.191 nan 4.420 nan 0.000 0.271 340 P C -0.640 176.561 177.300 -0.166 0.000 1.226 340 P CA -0.244 62.812 63.100 -0.074 0.000 0.765 340 P CB 1.163 32.855 31.700 -0.013 0.000 0.835 341 I N 6.303 126.780 120.570 -0.155 0.000 2.307 341 I HA 0.241 4.411 4.170 0.000 0.000 0.287 341 I C -1.264 174.929 176.117 0.126 0.000 1.054 341 I CA -2.591 58.596 61.300 -0.188 0.000 1.218 341 I CB 0.412 38.295 38.000 -0.196 0.000 1.398 341 I HN 0.274 nan 8.210 nan 0.000 0.475 342 P HA 0.281 nan 4.420 nan 0.000 0.279 342 P C -0.328 177.153 177.300 0.302 0.000 1.282 342 P CA -0.370 62.859 63.100 0.215 0.000 0.788 342 P CB 1.054 32.864 31.700 0.183 0.000 1.139 343 S N -0.203 115.594 115.700 0.162 0.000 2.565 343 S HA 0.423 4.893 4.470 0.000 0.000 0.290 343 S C 0.185 174.778 174.600 -0.010 0.000 1.150 343 S CA -0.565 57.701 58.200 0.111 0.000 1.058 343 S CB 0.295 63.539 63.200 0.074 0.000 1.032 343 S HN 0.218 nan 8.310 nan 0.000 0.510 344 I N 3.082 123.571 120.570 -0.134 0.000 2.301 344 I HA 0.226 4.396 4.170 0.000 0.000 0.292 344 I C 1.393 177.464 176.117 -0.075 0.000 1.046 344 I CA -0.539 60.664 61.300 -0.162 0.000 1.282 344 I CB -0.138 37.676 38.000 -0.310 0.000 1.409 344 I HN 0.795 nan 8.210 nan 0.000 0.484 345 A N 6.123 128.917 122.820 -0.043 0.000 1.903 345 A HA -0.221 4.099 4.320 0.000 0.000 0.219 345 A C 1.957 179.533 177.584 -0.013 0.000 1.191 345 A CA 1.793 53.816 52.037 -0.023 0.000 0.638 345 A CB -0.336 18.652 19.000 -0.020 0.000 0.823 345 A HN 0.694 nan 8.150 nan 0.000 0.451 346 E N -0.311 119.880 120.200 -0.015 0.000 2.058 346 E HA -0.128 4.222 4.350 0.000 0.000 0.194 346 E C 1.918 178.528 176.600 0.017 0.000 0.997 346 E CA 1.377 57.781 56.400 0.007 0.000 0.801 346 E CB -0.633 29.074 29.700 0.012 0.000 0.746 346 E HN 0.369 nan 8.360 nan 0.000 0.450 347 V N 1.195 121.106 119.914 -0.005 0.000 2.515 347 V HA -0.236 3.884 4.120 0.000 0.000 0.250 347 V C 2.203 178.324 176.094 0.044 0.000 1.058 347 V CA 1.497 63.808 62.300 0.017 0.000 1.064 347 V CB -0.489 31.321 31.823 -0.022 0.000 0.675 347 V HN 0.245 nan 8.190 nan 0.000 0.461 348 Q N 0.131 119.950 119.800 0.032 0.000 2.050 348 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 348 Q C 2.453 178.503 176.000 0.083 0.000 0.980 348 Q CA 1.537 57.372 55.803 0.054 0.000 0.840 348 Q CB -0.344 28.409 28.738 0.025 0.000 0.898 348 Q HN 0.611 nan 8.270 nan 0.000 0.424 349 R N 0.358 120.895 120.500 0.063 0.000 2.073 349 R HA -0.063 4.277 4.340 0.000 0.000 0.234 349 R C 2.347 178.727 176.300 0.134 0.000 1.134 349 R CA 1.127 57.287 56.100 0.100 0.000 0.952 349 R CB -0.505 29.831 30.300 0.060 0.000 0.850 349 R HN 0.221 nan 8.270 nan 0.000 0.433 350 A N 1.551 124.424 122.820 0.088 0.000 1.873 350 A HA -0.201 4.119 4.320 0.000 0.000 0.218 350 A C 2.079 179.707 177.584 0.072 0.000 1.193 350 A CA 1.396 53.477 52.037 0.073 0.000 0.629 350 A CB -0.579 18.459 19.000 0.063 0.000 0.826 350 A HN 0.107 nan 8.150 nan 0.000 0.447 351 L N -1.981 119.292 121.223 0.084 0.000 2.046 351 L HA -0.145 4.195 4.340 0.000 0.000 0.208 351 L C 2.353 179.266 176.870 0.072 0.000 1.077 351 L CA 1.931 56.812 54.840 0.068 0.000 0.747 351 L CB -1.602 40.508 42.059 0.086 0.000 0.896 351 L HN 0.615 nan 8.230 nan 0.000 0.432 352 Y N 0.849 121.149 120.300 0.000 0.000 2.089 352 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 352 Y C 2.452 178.350 175.900 -0.003 0.000 1.139 352 Y CA 1.885 59.984 58.100 -0.000 0.000 1.123 352 Y CB -0.185 38.279 38.460 0.007 0.000 0.980 352 Y HN 0.261 nan 8.280 nan 0.000 0.493 353 D N 0.109 120.557 120.400 0.079 0.000 2.104 353 D HA -0.209 4.431 4.640 0.000 0.000 0.194 353 D C 2.295 178.551 176.300 -0.073 0.000 0.994 353 D CA 1.629 55.622 54.000 -0.011 0.000 0.830 353 D CB -0.789 40.048 40.800 0.062 0.000 0.959 353 D HN 0.468 nan 8.370 nan 0.000 0.452 354 A N 0.382 123.177 122.820 -0.041 0.000 1.978 354 A HA -0.189 4.131 4.320 0.000 0.000 0.220 354 A C 2.346 179.868 177.584 -0.102 0.000 1.170 354 A CA 2.154 54.157 52.037 -0.057 0.000 0.636 354 A CB -0.842 18.134 19.000 -0.040 0.000 0.810 354 A HN 0.246 nan 8.150 nan 0.000 0.448 355 T N -0.469 113.995 114.554 -0.150 0.000 2.857 355 T HA -0.077 4.273 4.350 0.000 0.000 0.266 355 T C 1.924 176.521 174.700 -0.171 0.000 1.048 355 T CA 1.482 63.469 62.100 -0.189 0.000 1.139 355 T CB -0.098 68.638 68.868 -0.219 0.000 0.874 355 T HN 0.532 nan 8.240 nan 0.000 0.455 356 K N 0.763 121.025 120.400 -0.230 0.000 1.985 356 K HA -0.001 4.319 4.320 0.000 0.000 0.210 356 K C 2.214 178.757 176.600 -0.095 0.000 1.047 356 K CA 1.104 57.280 56.287 -0.186 0.000 0.932 356 K CB -0.449 31.926 32.500 -0.209 0.000 0.716 356 K HN 0.253 nan 8.250 nan 0.000 0.439 357 L N 0.587 121.765 121.223 -0.076 0.000 1.933 357 L HA -0.269 4.071 4.340 0.000 0.000 0.220 357 L C 2.451 179.302 176.870 -0.032 0.000 1.078 357 L CA 1.438 56.253 54.840 -0.042 0.000 0.773 357 L CB -1.045 40.995 42.059 -0.031 0.000 0.890 357 L HN 0.026 nan 8.230 nan 0.000 0.434 358 V N -0.921 118.971 119.914 -0.038 0.000 2.287 358 V HA -0.232 3.888 4.120 0.000 0.000 0.248 358 V C 1.519 177.611 176.094 -0.003 0.000 1.053 358 V CA 1.676 63.962 62.300 -0.023 0.000 1.027 358 V CB -0.453 31.346 31.823 -0.039 0.000 0.646 358 V HN 0.406 nan 8.190 nan 0.000 0.447 359 S N -0.203 115.495 115.700 -0.003 0.000 2.411 359 S HA 0.487 4.957 4.470 0.000 0.000 0.304 359 S C 0.596 175.206 174.600 0.017 0.000 1.098 359 S CA 0.240 58.466 58.200 0.042 0.000 1.068 359 S CB -0.712 62.559 63.200 0.119 0.000 1.032 359 S HN 1.068 nan 8.310 nan 0.000 0.511 360 G N 5.202 114.011 108.800 0.014 0.000 2.598 360 G HA2 -0.250 3.710 3.960 0.000 0.000 0.269 360 G HA3 -0.250 3.710 3.960 0.000 0.000 0.269 360 G C -0.294 174.601 174.900 -0.008 0.000 1.289 360 G CA 0.063 45.165 45.100 0.002 0.000 0.926 360 G HN 0.987 nan 8.290 nan 0.000 0.567 361 R N 1.019 121.513 120.500 -0.010 0.000 2.459 361 R HA 0.543 4.883 4.340 0.000 0.000 0.281 361 R C -1.741 174.546 176.300 -0.022 0.000 1.050 361 R CA -1.292 54.800 56.100 -0.012 0.000 1.055 361 R CB 0.037 30.332 30.300 -0.007 0.000 1.045 361 R HN 0.497 nan 8.270 nan 0.000 0.495 362 P HA 0.099 nan 4.420 nan 0.000 0.336 362 P C 0.427 177.717 177.300 -0.016 0.000 1.435 362 P CA 0.586 63.665 63.100 -0.034 0.000 0.860 362 P CB -0.192 31.494 31.700 -0.023 0.000 2.095 363 G N 0.024 108.826 108.800 0.003 0.000 2.645 363 G HA2 -0.188 3.772 3.960 0.000 0.000 0.239 363 G HA3 -0.188 3.772 3.960 0.000 0.000 0.239 363 G C 0.535 175.460 174.900 0.042 0.000 1.331 363 G CA 0.447 45.561 45.100 0.024 0.000 0.890 363 G HN 0.713 nan 8.290 nan 0.000 0.572 364 E N 0.553 120.781 120.200 0.048 0.000 2.465 364 E HA 0.048 4.398 4.350 0.000 0.000 0.191 364 E C 1.610 178.238 176.600 0.046 0.000 1.053 364 E CA 1.218 57.658 56.400 0.067 0.000 0.869 364 E CB 0.115 29.848 29.700 0.056 0.000 0.977 364 E HN 0.809 nan 8.360 nan 0.000 0.483 365 E N 1.189 121.403 120.200 0.023 0.000 2.274 365 E HA -0.116 4.234 4.350 0.000 0.000 0.194 365 E C 1.968 178.571 176.600 0.006 0.000 0.996 365 E CA 1.106 57.512 56.400 0.011 0.000 0.840 365 E CB 0.024 29.725 29.700 0.001 0.000 0.772 365 E HN 0.220 nan 8.360 nan 0.000 0.491 366 V N 0.054 119.967 119.914 -0.002 0.000 2.380 366 V HA -0.299 3.821 4.120 0.000 0.000 0.251 366 V C 2.046 178.153 176.094 0.021 0.000 1.063 366 V CA 1.671 63.961 62.300 -0.016 0.000 1.055 366 V CB -0.711 31.051 31.823 -0.101 0.000 0.657 366 V HN 0.131 nan 8.190 nan 0.000 0.455 367 K N 0.496 120.925 120.400 0.048 0.000 2.189 367 K HA -0.278 4.042 4.320 0.000 0.000 0.207 367 K C 2.259 178.869 176.600 0.016 0.000 1.046 367 K CA 2.406 58.721 56.287 0.047 0.000 0.928 367 K CB -0.444 32.083 32.500 0.045 0.000 0.720 367 K HN 0.724 nan 8.250 nan 0.000 0.458 368 Q N -0.433 119.369 119.800 0.003 0.000 2.230 368 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 368 Q C 1.957 177.937 176.000 -0.032 0.000 0.963 368 Q CA 0.982 56.776 55.803 -0.016 0.000 0.866 368 Q CB 0.026 28.753 28.738 -0.019 0.000 0.931 368 Q HN 0.105 nan 8.270 nan 0.000 0.452 369 R N -0.399 120.089 120.500 -0.021 0.000 2.316 369 R HA 0.169 4.509 4.340 0.000 0.000 0.201 369 R C -0.531 175.765 176.300 -0.006 0.000 0.888 369 R CA 0.102 56.175 56.100 -0.044 0.000 1.041 369 R CB 0.608 30.895 30.300 -0.022 0.000 1.115 369 R HN 0.041 nan 8.270 nan 0.000 0.559 370 L N 1.048 122.297 121.223 0.044 0.000 2.356 370 L HA 0.591 4.931 4.340 0.000 0.000 0.277 370 L C -1.371 175.534 176.870 0.057 0.000 0.996 370 L CA -0.831 54.061 54.840 0.087 0.000 0.822 370 L CB 1.595 43.721 42.059 0.112 0.000 1.256 370 L HN -0.078 nan 8.230 nan 0.000 0.413 371 R N 2.503 123.023 120.500 0.034 0.000 2.437 371 R HA 0.679 5.019 4.340 0.000 0.000 0.310 371 R C -1.214 175.069 176.300 -0.029 0.000 0.955 371 R CA -0.214 55.882 56.100 -0.006 0.000 0.851 371 R CB 1.539 31.816 30.300 -0.038 0.000 1.161 371 R HN 0.712 nan 8.270 nan 0.000 0.446 372 T N 2.875 117.394 114.554 -0.058 0.000 2.758 372 T HA 0.779 5.129 4.350 0.000 0.000 0.285 372 T C -0.404 174.091 174.700 -0.342 0.000 0.981 372 T CA 0.057 62.077 62.100 -0.133 0.000 0.965 372 T CB 1.399 70.229 68.868 -0.063 0.000 0.927 372 T HN 0.773 nan 8.240 nan 0.000 0.448 373 G N 1.797 110.258 108.800 -0.565 0.000 2.490 373 G HA2 0.476 4.436 3.960 0.000 0.000 0.308 373 G HA3 0.476 4.436 3.960 0.000 0.000 0.308 373 G C -1.032 173.408 174.900 -0.767 0.000 1.286 373 G CA -0.670 43.885 45.100 -0.909 0.000 0.825 373 G HN 0.523 nan 8.290 nan 0.000 0.479 374 T N 0.493 114.831 114.554 -0.360 0.000 2.817 374 T HA 0.518 4.869 4.350 0.000 0.000 0.293 374 T C -0.017 174.579 174.700 -0.174 0.000 0.964 374 T CA -0.043 61.989 62.100 -0.113 0.000 1.085 374 T CB 1.306 70.199 68.868 0.042 0.000 0.921 374 T HN 0.465 nan 8.240 nan 0.000 0.502 375 V N 4.327 124.133 119.914 -0.181 0.000 2.483 375 V HA 0.376 4.496 4.120 0.000 0.000 0.295 375 V C 0.042 176.082 176.094 -0.090 0.000 1.035 375 V CA -0.785 61.433 62.300 -0.136 0.000 0.896 375 V CB 1.894 33.680 31.823 -0.062 0.000 0.986 375 V HN 0.657 nan 8.190 nan 0.000 0.447 376 V N 3.796 123.594 119.914 -0.194 0.000 2.383 376 V HA 0.359 4.479 4.120 0.000 0.000 0.275 376 V C 0.373 176.380 176.094 -0.144 0.000 1.036 376 V CA -0.173 62.003 62.300 -0.206 0.000 0.889 376 V CB 1.537 33.094 31.823 -0.442 0.000 0.985 376 V HN 0.958 nan 8.190 nan 0.000 0.459 377 T N 3.902 118.412 114.554 -0.073 0.000 2.756 377 T HA 0.434 4.784 4.350 0.000 0.000 0.290 377 T C 0.052 174.697 174.700 -0.091 0.000 0.985 377 T CA -0.124 61.937 62.100 -0.063 0.000 0.955 377 T CB 1.268 70.108 68.868 -0.047 0.000 0.930 377 T HN 0.793 nan 8.240 nan 0.000 0.451 378 T N 1.130 115.643 114.554 -0.068 0.000 2.932 378 T HA 0.397 4.747 4.350 0.000 0.000 0.289 378 T C 0.171 174.869 174.700 -0.003 0.000 1.039 378 T CA -0.880 61.191 62.100 -0.048 0.000 1.024 378 T CB 1.175 70.049 68.868 0.010 0.000 1.090 378 T HN 0.595 nan 8.240 nan 0.000 0.496 379 D N 1.073 121.476 120.400 0.005 0.000 2.368 379 D HA 0.147 4.787 4.640 0.000 0.000 0.218 379 D C -0.097 176.271 176.300 0.113 0.000 1.112 379 D CA -0.202 53.831 54.000 0.056 0.000 0.834 379 D CB 0.168 41.016 40.800 0.079 0.000 0.953 379 D HN 0.416 nan 8.370 nan 0.000 0.505 380 D N 0.575 121.068 120.400 0.154 0.000 2.458 380 D HA 0.152 4.792 4.640 0.000 0.000 0.258 380 D C 1.338 177.802 176.300 0.273 0.000 1.134 380 D CA -0.601 53.517 54.000 0.196 0.000 0.915 380 D CB 1.074 42.005 40.800 0.220 0.000 1.028 380 D HN -0.204 nan 8.370 nan 0.000 0.508 381 R N 2.659 123.275 120.500 0.193 0.000 2.119 381 R HA -0.091 4.249 4.340 0.000 0.000 0.246 381 R C 0.492 176.846 176.300 0.090 0.000 1.146 381 R CA 1.496 57.706 56.100 0.185 0.000 0.962 381 R CB -0.286 30.072 30.300 0.096 0.000 0.863 381 R HN 0.236 nan 8.270 nan 0.000 0.442 382 N N 1.246 119.965 118.700 0.032 0.000 2.410 382 N HA -0.037 4.703 4.740 0.000 0.000 0.231 382 N C 0.498 175.941 175.510 -0.112 0.000 1.172 382 N CA 0.512 53.498 53.050 -0.106 0.000 0.849 382 N CB -0.340 38.113 38.487 -0.057 0.000 1.116 382 N HN 0.503 nan 8.380 nan 0.000 0.485 383 W N 0.798 122.139 121.300 0.068 0.000 2.321 383 W HA -0.177 4.483 4.660 0.000 0.000 0.285 383 W C 0.494 177.056 176.519 0.070 0.000 1.213 383 W CA 0.429 57.823 57.345 0.081 0.000 1.205 383 W CB -0.729 28.811 29.460 0.134 0.000 1.134 383 W HN 0.062 nan 8.180 nan 0.000 0.549 384 E N 1.356 121.077 120.200 -0.798 0.000 2.160 384 E HA -0.156 4.194 4.350 0.000 0.000 0.195 384 E C 2.229 178.710 176.600 -0.198 0.000 0.991 384 E CA 1.706 57.703 56.400 -0.671 0.000 0.810 384 E CB -0.796 28.394 29.700 -0.850 0.000 0.742 384 E HN 0.322 nan 8.360 nan 0.000 0.466 385 L N -0.007 121.132 121.223 -0.141 0.000 2.549 385 L HA -0.048 4.292 4.340 0.000 0.000 0.229 385 L C 0.815 177.692 176.870 0.012 0.000 1.158 385 L CA 0.809 55.616 54.840 -0.054 0.000 0.842 385 L CB -0.093 41.939 42.059 -0.044 0.000 0.952 385 L HN -0.011 nan 8.230 nan 0.000 0.452 386 R N -1.976 118.564 120.500 0.065 0.000 2.711 386 R HA 0.057 4.397 4.340 0.000 0.000 0.350 386 R C 0.543 176.927 176.300 0.141 0.000 1.146 386 R CA -0.275 55.877 56.100 0.086 0.000 1.190 386 R CB 0.279 30.630 30.300 0.086 0.000 1.312 386 R HN -0.035 nan 8.270 nan 0.000 0.635 387 Y N 1.966 122.274 120.300 0.013 0.000 2.097 387 Y HA -0.315 4.235 4.550 0.000 0.000 0.282 387 Y C 2.298 178.157 175.900 -0.068 0.000 1.152 387 Y CA 2.205 60.310 58.100 0.008 0.000 1.136 387 Y CB -0.302 38.162 38.460 0.006 0.000 0.975 387 Y HN 0.242 nan 8.280 nan 0.000 0.498 388 S N 0.623 116.159 115.700 -0.275 0.000 2.368 388 S HA -0.336 4.134 4.470 0.000 0.000 0.226 388 S C 2.310 176.732 174.600 -0.296 0.000 1.044 388 S CA 1.808 59.790 58.200 -0.364 0.000 1.062 388 S CB -1.542 61.556 63.200 -0.171 0.000 0.931 388 S HN 0.570 nan 8.310 nan 0.000 0.440 389 A N 1.321 124.045 122.820 -0.160 0.000 1.978 389 A HA -0.019 4.301 4.320 0.000 0.000 0.220 389 A C 2.413 179.905 177.584 -0.153 0.000 1.170 389 A CA 1.935 53.904 52.037 -0.113 0.000 0.636 389 A CB -0.934 18.044 19.000 -0.038 0.000 0.810 389 A HN 0.575 nan 8.150 nan 0.000 0.448 390 S N -0.747 114.815 115.700 -0.230 0.000 2.404 390 S HA 0.204 4.674 4.470 0.000 0.000 0.223 390 S C 2.335 176.569 174.600 -0.610 0.000 1.040 390 S CA 0.668 58.638 58.200 -0.383 0.000 0.957 390 S CB -0.386 62.529 63.200 -0.475 0.000 0.826 390 S HN 0.806 nan 8.310 nan 0.000 0.491 391 A N 1.981 124.372 122.820 -0.714 0.000 1.929 391 A HA -0.221 4.099 4.320 0.000 0.000 0.221 391 A C 2.100 179.534 177.584 -0.249 0.000 1.211 391 A CA 1.952 53.622 52.037 -0.612 0.000 0.657 391 A CB -0.980 17.461 19.000 -0.933 0.000 0.827 391 A HN 0.440 nan 8.150 nan 0.000 0.462 392 L N -0.420 120.680 121.223 -0.205 0.000 2.046 392 L HA -0.167 4.173 4.340 0.000 0.000 0.208 392 L C 2.516 179.382 176.870 -0.007 0.000 1.077 392 L CA 2.145 56.935 54.840 -0.083 0.000 0.747 392 L CB -0.462 41.552 42.059 -0.075 0.000 0.896 392 L HN 0.389 nan 8.230 nan 0.000 0.432 393 R N -1.572 118.931 120.500 0.005 0.000 2.066 393 R HA -0.134 4.206 4.340 0.000 0.000 0.232 393 R C 2.236 178.683 176.300 0.245 0.000 1.131 393 R CA 1.508 57.674 56.100 0.110 0.000 0.955 393 R CB -0.606 29.773 30.300 0.133 0.000 0.851 393 R HN 0.263 nan 8.270 nan 0.000 0.432 394 F N 1.562 121.493 119.950 -0.032 0.000 2.091 394 F HA -0.235 4.292 4.527 0.000 0.000 0.299 394 F C 2.262 178.060 175.800 -0.004 0.000 1.103 394 F CA 0.796 58.781 58.000 -0.025 0.000 1.228 394 F CB -1.157 37.848 39.000 0.008 0.000 0.984 394 F HN 0.164 nan 8.300 nan 0.000 0.477 395 N N 0.316 119.147 118.700 0.219 0.000 2.142 395 N HA -0.159 4.581 4.740 0.000 0.000 0.186 395 N C 1.930 177.488 175.510 0.080 0.000 1.023 395 N CA 0.718 53.841 53.050 0.122 0.000 0.852 395 N CB -0.166 38.368 38.487 0.078 0.000 0.998 395 N HN 0.106 nan 8.380 nan 0.000 0.424 396 L N 1.309 122.574 121.223 0.070 0.000 2.131 396 L HA -0.089 4.251 4.340 0.000 0.000 0.210 396 L C 2.353 179.251 176.870 0.045 0.000 1.092 396 L CA 1.564 56.433 54.840 0.047 0.000 0.759 396 L CB -0.852 41.230 42.059 0.039 0.000 0.903 396 L HN 0.261 nan 8.230 nan 0.000 0.435 397 S N -1.932 113.802 115.700 0.056 0.000 2.575 397 S HA 0.054 4.524 4.470 0.000 0.000 0.215 397 S C 0.763 175.381 174.600 0.030 0.000 0.966 397 S CA -0.422 57.799 58.200 0.035 0.000 0.911 397 S CB 0.043 63.256 63.200 0.022 0.000 0.780 397 S HN 0.389 nan 8.310 nan 0.000 0.514 398 R N 0.466 120.989 120.500 0.038 0.000 3.651 398 R HA -0.117 4.223 4.340 0.000 0.000 0.292 398 R C 0.352 176.643 176.300 -0.014 0.000 1.161 398 R CA 0.757 56.874 56.100 0.028 0.000 0.787 398 R CB -3.111 27.212 30.300 0.039 0.000 1.249 398 R HN 0.762 nan 8.270 nan 0.000 0.476 399 A N 0.065 122.855 122.820 -0.050 0.000 2.561 399 A HA 0.223 4.543 4.320 0.000 0.000 0.234 399 A C 1.508 178.998 177.584 -0.157 0.000 1.055 399 A CA 0.685 52.620 52.037 -0.169 0.000 0.756 399 A CB 0.540 19.309 19.000 -0.385 0.000 0.986 399 A HN 0.132 nan 8.150 nan 0.000 0.505 400 V N 1.333 121.139 119.914 -0.180 0.000 3.455 400 V HA 0.486 4.606 4.120 0.000 0.000 0.250 400 V C 0.959 176.966 176.094 -0.145 0.000 1.230 400 V CA 1.596 63.812 62.300 -0.139 0.000 1.105 400 V CB 0.103 31.839 31.823 -0.146 0.000 0.850 400 V HN 1.321 nan 8.190 nan 0.000 0.461 401 A N -0.428 122.274 122.820 -0.197 0.000 2.602 401 A HA 0.805 5.125 4.320 0.000 0.000 0.290 401 A C -1.755 175.675 177.584 -0.256 0.000 1.114 401 A CA -0.374 51.561 52.037 -0.170 0.000 0.683 401 A CB 1.895 20.841 19.000 -0.090 0.000 1.281 401 A HN 0.123 nan 8.150 nan 0.000 0.416 402 I N 1.056 121.506 120.570 -0.200 0.000 2.607 402 I HA 0.558 4.728 4.170 0.000 0.000 0.290 402 I C -1.778 174.305 176.117 -0.057 0.000 1.129 402 I CA -0.325 60.833 61.300 -0.237 0.000 1.042 402 I CB 1.809 39.523 38.000 -0.476 0.000 1.242 402 I HN 0.959 nan 8.210 nan 0.000 0.421 406 S N 1.384 117.059 115.700 -0.042 0.000 2.389 406 S HA -0.334 4.136 4.470 0.000 0.000 0.229 406 S C 2.121 176.574 174.600 -0.245 0.000 1.048 406 S CA 2.083 60.282 58.200 -0.003 0.000 1.117 406 S CB -0.650 62.675 63.200 0.207 0.000 1.020 406 S HN 0.458 nan 8.310 nan 0.000 0.430 407 A N 0.993 123.649 122.820 -0.274 0.000 1.940 407 A HA -0.144 4.176 4.320 0.000 0.000 0.219 407 A C 2.346 179.675 177.584 -0.424 0.000 1.176 407 A CA 2.205 53.920 52.037 -0.537 0.000 0.631 407 A CB -1.368 17.499 19.000 -0.222 0.000 0.814 407 A HN 0.559 nan 8.150 nan 0.000 0.446 408 T N 0.467 114.857 114.554 -0.273 0.000 2.701 408 T HA -0.097 4.253 4.350 0.000 0.000 0.263 408 T C 1.801 176.356 174.700 -0.242 0.000 1.040 408 T CA 1.395 63.358 62.100 -0.230 0.000 1.147 408 T CB -0.286 68.468 68.868 -0.191 0.000 0.865 408 T HN 0.300 nan 8.240 nan 0.000 0.426 409 I N 1.927 122.338 120.570 -0.265 0.000 2.163 409 I HA -0.131 4.039 4.170 0.000 0.000 0.243 409 I C 2.928 179.010 176.117 -0.059 0.000 1.085 409 I CA 1.196 62.355 61.300 -0.235 0.000 1.347 409 I CB -1.687 36.171 38.000 -0.238 0.000 1.044 409 I HN 0.200 nan 8.210 nan 0.000 0.408 410 A N 0.854 123.506 122.820 -0.281 0.000 1.877 410 A HA -0.113 4.207 4.320 0.000 0.000 0.216 410 A C 2.592 179.745 177.584 -0.719 0.000 1.186 410 A CA 2.097 53.768 52.037 -0.609 0.000 0.620 410 A CB -0.893 17.570 19.000 -0.895 0.000 0.822 410 A HN 0.409 nan 8.150 nan 0.000 0.443 411 A N -1.148 121.380 122.820 -0.488 0.000 1.908 411 A HA -0.212 4.108 4.320 0.000 0.000 0.218 411 A C 2.146 179.630 177.584 -0.167 0.000 1.181 411 A CA 1.739 53.575 52.037 -0.336 0.000 0.627 411 A CB -0.525 18.309 19.000 -0.277 0.000 0.818 411 A HN 0.520 nan 8.150 nan 0.000 0.445 412 Q N -0.631 119.127 119.800 -0.069 0.000 2.084 412 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 412 Q C 2.275 178.457 176.000 0.303 0.000 0.978 412 Q CA 1.545 57.415 55.803 0.111 0.000 0.844 412 Q CB -0.937 27.967 28.738 0.277 0.000 0.898 412 Q HN 0.668 nan 8.270 nan 0.000 0.426 413 G N 0.050 109.083 108.800 0.388 0.000 2.476 413 G HA2 -0.331 3.629 3.960 0.000 0.000 0.218 413 G HA3 -0.331 3.629 3.960 0.000 0.000 0.218 413 G C 1.390 176.355 174.900 0.108 0.000 1.164 413 G CA 1.037 46.284 45.100 0.245 0.000 0.768 413 G HN 0.448 nan 8.290 nan 0.000 0.560 414 Y N 1.428 121.606 120.300 -0.202 0.000 2.128 414 Y HA -0.118 4.431 4.550 0.000 0.000 0.284 414 Y C 3.068 178.912 175.900 -0.092 0.000 1.154 414 Y CA 2.050 60.125 58.100 -0.042 0.000 1.149 414 Y CB -0.072 38.300 38.460 -0.146 0.000 0.976 414 Y HN 0.037 nan 8.280 nan 0.000 0.505 415 R N -0.888 119.604 120.500 -0.013 0.000 2.096 415 R HA -0.135 4.205 4.340 0.000 0.000 0.235 415 R C 1.119 177.175 176.300 -0.407 0.000 1.127 415 R CA 1.461 57.391 56.100 -0.284 0.000 0.968 415 R CB -0.461 29.499 30.300 -0.566 0.000 0.861 415 R HN 0.346 nan 8.270 nan 0.000 0.440 416 F N 0.354 120.300 119.950 -0.007 0.000 2.639 416 F HA 0.241 4.768 4.527 0.000 0.000 0.300 416 F C 0.145 175.786 175.800 -0.264 0.000 1.109 416 F CA -0.604 57.338 58.000 -0.097 0.000 1.335 416 F CB 0.053 39.114 39.000 0.101 0.000 1.014 416 F HN -0.207 nan 8.300 nan 0.000 0.537 417 R N -0.340 120.090 120.500 -0.116 0.000 3.264 417 R HA -0.135 4.205 4.340 0.000 0.000 0.251 417 R C -1.356 174.841 176.300 -0.172 0.000 0.971 417 R CA 0.092 56.102 56.100 -0.150 0.000 0.658 417 R CB -2.537 27.659 30.300 -0.172 0.000 1.095 417 R HN 0.063 nan 8.270 nan 0.000 0.443 418 V N 0.835 120.620 119.914 -0.215 0.000 2.376 418 V HA 0.342 4.462 4.120 0.000 0.000 0.287 418 V C -1.894 173.987 176.094 -0.355 0.000 1.015 418 V CA -2.179 59.857 62.300 -0.440 0.000 0.834 418 V CB 2.149 33.387 31.823 -0.975 0.000 1.001 418 V HN 0.024 nan 8.190 nan 0.000 0.428 419 P HA 0.027 nan 4.420 nan 0.000 0.264 419 P C -1.277 175.904 177.300 -0.197 0.000 1.173 419 P CA 0.691 63.592 63.100 -0.332 0.000 0.761 419 P CB 0.045 31.523 31.700 -0.371 0.000 0.794 420 Y N 0.376 120.654 120.300 -0.036 0.000 2.588 420 Y HA 0.882 5.432 4.550 0.000 0.000 0.343 420 Y C -0.201 175.819 175.900 0.200 0.000 1.065 420 Y CA -1.376 56.808 58.100 0.140 0.000 1.038 420 Y CB 1.094 39.708 38.460 0.256 0.000 1.297 420 Y HN 0.558 nan 8.280 nan 0.000 0.467 421 G N -0.121 108.937 108.800 0.431 0.000 2.673 421 G HA2 0.568 4.528 3.960 0.000 0.000 0.292 421 G HA3 0.568 4.528 3.960 0.000 0.000 0.292 421 G C -1.945 173.171 174.900 0.360 0.000 1.450 421 G CA -1.094 44.205 45.100 0.331 0.000 0.837 421 G HN 0.695 nan 8.290 nan 0.000 0.505 422 T N 0.455 115.199 114.554 0.316 0.000 2.928 422 T HA 0.535 4.885 4.350 0.000 0.000 0.296 422 T C -1.339 173.476 174.700 0.192 0.000 1.000 422 T CA -0.317 61.949 62.100 0.278 0.000 0.989 422 T CB 1.564 70.656 68.868 0.373 0.000 1.005 422 T HN 0.647 nan 8.240 nan 0.000 0.442 423 L N 4.906 126.238 121.223 0.182 0.000 2.471 423 L HA 0.601 4.941 4.340 0.000 0.000 0.263 423 L C -1.364 175.673 176.870 0.279 0.000 0.985 423 L CA -0.421 54.523 54.840 0.174 0.000 0.868 423 L CB 0.508 42.645 42.059 0.129 0.000 1.203 423 L HN 0.596 nan 8.230 nan 0.000 0.429 424 L N 3.092 124.445 121.223 0.217 0.000 2.400 424 L HA 0.633 4.973 4.340 0.000 0.000 0.264 424 L C -0.361 176.613 176.870 0.172 0.000 1.061 424 L CA -0.789 54.200 54.840 0.248 0.000 0.799 424 L CB 1.753 43.909 42.059 0.161 0.000 1.240 424 L HN 0.624 nan 8.230 nan 0.000 0.461 425 C N 1.302 120.703 119.300 0.170 0.000 2.364 425 C HA 0.545 5.005 4.460 0.000 0.000 0.324 425 C C 0.090 175.058 174.990 -0.037 0.000 1.234 425 C CA -0.612 58.414 59.018 0.014 0.000 1.417 425 C CB 0.800 28.516 27.740 -0.040 0.000 2.101 425 C HN 0.500 nan 8.230 nan 0.000 0.466 426 V N 7.012 126.857 119.914 -0.115 0.000 2.493 426 V HA 0.148 4.268 4.120 0.000 0.000 0.292 426 V C 1.307 177.277 176.094 -0.207 0.000 1.016 426 V CA 1.234 63.459 62.300 -0.125 0.000 1.097 426 V CB 0.936 32.686 31.823 -0.122 0.000 0.947 426 V HN 1.066 nan 8.190 nan 0.000 0.479 427 S N 1.599 117.162 115.700 -0.228 0.000 2.540 427 S HA 0.215 4.685 4.470 0.000 0.000 0.222 427 S C 0.176 174.668 174.600 -0.180 0.000 1.008 427 S CA -0.036 57.960 58.200 -0.341 0.000 0.939 427 S CB 0.162 63.007 63.200 -0.592 0.000 0.865 427 S HN 0.909 nan 8.310 nan 0.000 0.499 428 D N 0.125 120.467 120.400 -0.097 0.000 2.694 428 D HA 0.246 4.886 4.640 0.000 0.000 0.260 428 D C -1.742 174.562 176.300 0.007 0.000 1.250 428 D CA -0.626 53.349 54.000 -0.043 0.000 0.763 428 D CB 0.952 41.737 40.800 -0.024 0.000 1.311 428 D HN 0.037 nan 8.370 nan 0.000 0.420 429 K N 0.942 121.360 120.400 0.031 0.000 2.624 429 K HA 0.319 4.639 4.320 0.000 0.000 0.200 429 K C -2.144 174.511 176.600 0.091 0.000 1.036 429 K CA -1.599 54.747 56.287 0.099 0.000 1.029 429 K CB 2.200 34.766 32.500 0.111 0.000 1.317 429 K HN 0.058 nan 8.250 nan 0.000 0.555 430 P HA -0.193 nan 4.420 nan 0.000 0.216 430 P C 0.846 178.094 177.300 -0.086 0.000 1.153 430 P CA 0.907 64.011 63.100 0.008 0.000 0.858 430 P CB 0.294 32.076 31.700 0.137 0.000 0.789 431 L N -2.692 118.471 121.223 -0.099 0.000 2.492 431 L HA -0.006 4.334 4.340 0.000 0.000 0.223 431 L C 0.686 177.202 176.870 -0.591 0.000 1.132 431 L CA 1.398 55.993 54.840 -0.408 0.000 0.850 431 L CB -1.429 40.332 42.059 -0.497 0.000 0.966 431 L HN 0.108 nan 8.230 nan 0.000 0.454 432 H N -1.554 117.495 119.070 -0.035 0.000 2.528 432 H HA 0.503 5.059 4.556 0.000 0.000 0.256 432 H C 1.240 176.547 175.328 -0.034 0.000 1.204 432 H CA 0.029 56.059 56.048 -0.030 0.000 0.955 432 H CB 0.074 29.825 29.762 -0.018 0.000 1.817 432 H HN 0.082 nan 8.280 nan 0.000 0.579 433 G N 1.232 110.038 108.800 0.010 0.000 2.225 433 G HA2 -0.334 3.626 3.960 0.000 0.000 0.267 433 G HA3 -0.334 3.626 3.960 0.000 0.000 0.267 433 G C 0.199 175.100 174.900 0.000 0.000 1.024 433 G CA 0.360 45.458 45.100 -0.003 0.000 0.784 433 G HN 0.604 nan 8.290 nan 0.000 0.507 434 E N -0.368 119.835 120.200 0.006 0.000 4.170 434 E HA 0.314 4.664 4.350 0.000 0.000 0.215 434 E C 1.031 177.621 176.600 -0.016 0.000 1.119 434 E CA -0.548 55.849 56.400 -0.005 0.000 1.396 434 E CB 0.569 30.270 29.700 0.002 0.000 1.182 434 E HN 0.580 nan 8.360 nan 0.000 0.438 435 I N 0.313 120.864 120.570 -0.032 0.000 3.322 435 I HA 0.128 4.298 4.170 0.000 0.000 0.296 435 I C 1.052 177.146 176.117 -0.038 0.000 1.101 435 I CA -0.414 60.860 61.300 -0.044 0.000 1.166 435 I CB 0.423 38.377 38.000 -0.077 0.000 1.475 435 I HN 0.006 nan 8.210 nan 0.000 0.665 448 A N 0.685 123.531 122.820 0.042 0.000 2.235 448 A HA 0.398 4.718 4.320 0.000 0.000 0.208 448 A C 2.102 179.791 177.584 0.174 0.000 1.172 448 A CA 0.690 52.783 52.037 0.093 0.000 0.786 448 A CB -0.490 18.532 19.000 0.036 0.000 0.804 448 A HN 0.358 nan 8.150 nan 0.000 0.479 449 I N -0.456 120.158 120.570 0.074 0.000 2.142 449 I HA -0.181 3.989 4.170 0.000 0.000 0.240 449 I C 2.694 178.772 176.117 -0.065 0.000 1.078 449 I CA 1.853 63.091 61.300 -0.104 0.000 1.343 449 I CB -1.486 36.350 38.000 -0.274 0.000 1.046 449 I HN 0.391 nan 8.210 nan 0.000 0.405 450 S N 0.110 115.790 115.700 -0.033 0.000 2.359 450 S HA -0.262 4.208 4.470 0.000 0.000 0.224 450 S C 2.053 176.670 174.600 0.029 0.000 1.035 450 S CA 1.955 60.145 58.200 -0.017 0.000 1.018 450 S CB -0.213 62.983 63.200 -0.008 0.000 0.876 450 S HN 0.495 nan 8.310 nan 0.000 0.448 451 E N -0.288 119.962 120.200 0.083 0.000 2.051 451 E HA -0.258 4.092 4.350 0.000 0.000 0.192 451 E C 1.992 178.686 176.600 0.157 0.000 0.991 451 E CA 1.488 57.954 56.400 0.110 0.000 0.799 451 E CB -0.457 29.338 29.700 0.158 0.000 0.748 451 E HN 0.810 nan 8.360 nan 0.000 0.449 452 H N -0.388 118.769 119.070 0.146 0.000 2.289 452 H HA -0.183 4.373 4.556 0.000 0.000 0.296 452 H C 2.355 177.736 175.328 0.088 0.000 1.091 452 H CA 1.337 57.473 56.048 0.146 0.000 1.274 452 H CB 0.017 30.033 29.762 0.423 0.000 1.364 452 H HN 0.240 nan 8.280 nan 0.000 0.490 453 L N 1.087 122.425 121.223 0.193 0.000 2.079 453 L HA -0.208 4.132 4.340 0.000 0.000 0.210 453 L C 2.281 179.089 176.870 -0.103 0.000 1.081 453 L CA 1.494 56.354 54.840 0.034 0.000 0.752 453 L CB -0.632 41.458 42.059 0.052 0.000 0.896 453 L HN 0.343 nan 8.230 nan 0.000 0.433 454 Q N -0.341 119.394 119.800 -0.108 0.000 2.084 454 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 454 Q C 2.350 178.273 176.000 -0.127 0.000 0.978 454 Q CA 2.005 57.700 55.803 -0.179 0.000 0.844 454 Q CB -0.319 28.345 28.738 -0.123 0.000 0.898 454 Q HN 0.618 nan 8.270 nan 0.000 0.426 455 I N -0.153 120.368 120.570 -0.081 0.000 2.179 455 I HA -0.227 3.943 4.170 0.000 0.000 0.242 455 I C 2.283 178.356 176.117 -0.074 0.000 1.088 455 I CA 1.268 62.513 61.300 -0.092 0.000 1.357 455 I CB -0.736 37.172 38.000 -0.155 0.000 1.051 455 I HN 0.214 nan 8.210 nan 0.000 0.409 456 G N 1.401 110.158 108.800 -0.070 0.000 2.446 456 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 456 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 456 G C 1.695 176.552 174.900 -0.070 0.000 1.168 456 G CA 0.766 45.826 45.100 -0.067 0.000 0.771 456 G HN 0.324 nan 8.290 nan 0.000 0.551 457 I N 0.169 120.662 120.570 -0.129 0.000 2.226 457 I HA -0.133 4.037 4.170 0.000 0.000 0.245 457 I C 2.811 178.880 176.117 -0.079 0.000 1.100 457 I CA 1.238 62.452 61.300 -0.144 0.000 1.374 457 I CB -0.183 37.588 38.000 -0.381 0.000 1.057 457 I HN 0.077 nan 8.210 nan 0.000 0.413 458 R N 1.670 122.122 120.500 -0.081 0.000 2.096 458 R HA -0.118 4.222 4.340 0.000 0.000 0.235 458 R C 2.175 178.460 176.300 -0.024 0.000 1.127 458 R CA 1.773 57.849 56.100 -0.040 0.000 0.968 458 R CB -0.693 29.582 30.300 -0.042 0.000 0.861 458 R HN 0.364 nan 8.270 nan 0.000 0.440 459 A N 0.870 123.678 122.820 -0.021 0.000 1.877 459 A HA -0.115 4.205 4.320 0.000 0.000 0.216 459 A C 2.091 179.684 177.584 0.014 0.000 1.186 459 A CA 1.546 53.587 52.037 0.007 0.000 0.620 459 A CB -0.550 18.463 19.000 0.020 0.000 0.822 459 A HN 0.287 nan 8.150 nan 0.000 0.443 460 I N 0.562 121.136 120.570 0.006 0.000 2.118 460 I HA -0.254 3.916 4.170 0.000 0.000 0.241 460 I C 2.014 178.046 176.117 -0.142 0.000 1.070 460 I CA 1.931 63.218 61.300 -0.021 0.000 1.327 460 I CB -1.624 36.370 38.000 -0.011 0.000 1.034 460 I HN 0.301 nan 8.210 nan 0.000 0.405 461 D N 0.969 121.313 120.400 -0.093 0.000 2.106 461 D HA -0.190 4.450 4.640 0.000 0.000 0.191 461 D C 2.419 178.676 176.300 -0.072 0.000 0.997 461 D CA 1.191 55.137 54.000 -0.090 0.000 0.834 461 D CB -0.465 40.325 40.800 -0.015 0.000 0.956 461 D HN 0.282 nan 8.370 nan 0.000 0.448 462 L N 0.149 121.356 121.223 -0.027 0.000 2.042 462 L HA -0.182 4.158 4.340 0.000 0.000 0.210 462 L C 2.601 179.480 176.870 0.015 0.000 1.076 462 L CA 0.774 55.615 54.840 0.000 0.000 0.749 462 L CB -0.367 41.702 42.059 0.017 0.000 0.893 462 L HN 0.074 nan 8.230 nan 0.000 0.432 463 L N -0.867 120.371 121.223 0.025 0.000 2.156 463 L HA -0.155 4.185 4.340 0.000 0.000 0.208 463 L C 2.817 179.753 176.870 0.109 0.000 1.095 463 L CA 0.852 55.749 54.840 0.095 0.000 0.770 463 L CB -0.452 41.709 42.059 0.171 0.000 0.914 463 L HN 0.253 nan 8.230 nan 0.000 0.439 464 R N 0.506 120.961 120.500 -0.075 0.000 2.075 464 R HA -0.146 4.194 4.340 0.000 0.000 0.232 464 R C 2.280 178.585 176.300 0.008 0.000 1.126 464 R CA 1.396 57.411 56.100 -0.140 0.000 0.963 464 R CB -0.149 29.825 30.300 -0.544 0.000 0.858 464 R HN 0.314 nan 8.270 nan 0.000 0.435 465 A N 0.667 123.479 122.820 -0.014 0.000 1.969 465 A HA -0.160 4.160 4.320 0.000 0.000 0.218 465 A C 1.872 179.482 177.584 0.043 0.000 1.169 465 A CA 1.449 53.494 52.037 0.012 0.000 0.635 465 A CB -0.397 18.604 19.000 0.001 0.000 0.810 465 A HN 0.446 nan 8.150 nan 0.000 0.445 466 E N -0.571 119.664 120.200 0.058 0.000 2.233 466 E HA 0.033 4.383 4.350 0.000 0.000 0.199 466 E C 1.372 178.024 176.600 0.087 0.000 1.004 466 E CA 1.300 57.743 56.400 0.073 0.000 0.819 466 E CB -0.461 29.294 29.700 0.091 0.000 0.738 466 E HN 0.810 nan 8.360 nan 0.000 0.478 467 G N -0.151 108.715 108.800 0.110 0.000 2.557 467 G HA2 -0.386 3.574 3.960 0.000 0.000 0.292 467 G HA3 -0.386 3.574 3.960 0.000 0.000 0.292 467 G C 0.689 175.674 174.900 0.141 0.000 1.162 467 G CA 0.303 45.471 45.100 0.113 0.000 0.964 467 G HN 0.356 nan 8.290 nan 0.000 0.541 468 D N 0.764 121.232 120.400 0.113 0.000 2.354 468 D HA 0.092 4.732 4.640 0.000 0.000 0.209 468 D C 2.544 178.927 176.300 0.137 0.000 1.015 468 D CA 0.301 54.383 54.000 0.136 0.000 0.867 468 D CB 0.056 40.902 40.800 0.077 0.000 0.933 468 D HN 0.257 nan 8.370 nan 0.000 0.520 469 R N 0.863 121.422 120.500 0.098 0.000 2.249 469 R HA -0.107 4.233 4.340 0.000 0.000 0.230 469 R C 1.986 178.350 176.300 0.107 0.000 1.121 469 R CA 0.184 56.330 56.100 0.077 0.000 0.997 469 R CB -0.600 29.733 30.300 0.055 0.000 0.867 469 R HN 0.165 nan 8.270 nan 0.000 0.465 470 L N -0.219 121.106 121.223 0.171 0.000 1.989 470 L HA -0.114 4.226 4.340 0.000 0.000 0.211 470 L C 0.010 176.975 176.870 0.159 0.000 1.071 470 L CA 1.790 56.742 54.840 0.186 0.000 0.749 470 L CB -0.450 41.787 42.059 0.297 0.000 0.890 470 L HN 0.153 nan 8.230 nan 0.000 0.431 471 H N -0.376 118.755 119.070 0.101 0.000 2.690 471 H HA 0.498 5.054 4.556 0.000 0.000 0.314 471 H C 0.438 175.793 175.328 0.046 0.000 1.069 471 H CA 0.102 56.219 56.048 0.114 0.000 1.436 471 H CB 0.691 30.644 29.762 0.319 0.000 1.462 471 H HN 0.421 nan 8.280 nan 0.000 0.511 472 S N 2.176 117.921 115.700 0.074 0.000 2.841 472 S HA 0.474 4.944 4.470 0.000 0.000 0.318 472 S C 0.756 175.360 174.600 0.005 0.000 1.127 472 S CA -1.089 57.121 58.200 0.018 0.000 0.883 472 S CB 1.885 65.076 63.200 -0.014 0.000 1.271 472 S HN 0.641 nan 8.310 nan 0.000 0.567 473 R N 0.197 120.684 120.500 -0.022 0.000 2.317 473 R HA 0.250 4.590 4.340 0.000 0.000 0.208 473 R C 1.449 177.723 176.300 -0.043 0.000 0.914 473 R CA -0.016 56.062 56.100 -0.036 0.000 1.060 473 R CB -0.129 30.138 30.300 -0.055 0.000 1.015 473 R HN 0.591 nan 8.270 nan 0.000 0.498 474 K N 0.657 121.038 120.400 -0.033 0.000 2.281 474 K HA -0.104 4.216 4.320 0.000 0.000 0.203 474 K C 1.304 177.881 176.600 -0.039 0.000 1.046 474 K CA 1.032 57.309 56.287 -0.017 0.000 0.938 474 K CB 0.071 32.572 32.500 0.001 0.000 0.737 474 K HN 0.239 nan 8.250 nan 0.000 0.458 475 L N 0.129 121.304 121.223 -0.079 0.000 2.616 475 L HA 0.123 4.463 4.340 0.000 0.000 0.229 475 L C 0.480 177.255 176.870 -0.159 0.000 1.110 475 L CA -0.270 54.467 54.840 -0.171 0.000 0.884 475 L CB 0.089 42.062 42.059 -0.143 0.000 1.115 475 L HN 0.003 nan 8.230 nan 0.000 0.481 476 R N 0.566 121.013 120.500 -0.089 0.000 2.537 476 R HA 0.153 4.493 4.340 0.000 0.000 0.280 476 R C 0.165 176.417 176.300 -0.080 0.000 1.058 476 R CA 0.244 56.305 56.100 -0.065 0.000 1.057 476 R CB 0.722 30.980 30.300 -0.069 0.000 0.973 476 R HN -0.074 nan 8.270 nan 0.000 0.438 477 T N 1.494 116.035 114.554 -0.021 0.000 2.912 477 T HA 0.197 4.547 4.350 0.000 0.000 0.280 477 T C 0.986 175.723 174.700 0.062 0.000 0.989 477 T CA -0.546 61.594 62.100 0.066 0.000 0.995 477 T CB 0.456 69.386 68.868 0.103 0.000 1.077 477 T HN 0.351 nan 8.240 nan 0.000 0.531 478 F N 1.285 121.255 119.950 0.034 0.000 2.186 478 F HA 0.017 4.544 4.527 0.000 0.000 0.299 478 F C 1.922 177.766 175.800 0.073 0.000 1.090 478 F CA 0.893 58.924 58.000 0.051 0.000 1.307 478 F CB -0.396 38.635 39.000 0.052 0.000 1.019 478 F HN 0.550 nan 8.300 nan 0.000 0.489 479 N N -0.350 118.508 118.700 0.262 0.000 2.376 479 N HA 0.059 4.799 4.740 0.000 0.000 0.249 479 N C -0.301 175.286 175.510 0.127 0.000 1.140 479 N CA -0.194 52.974 53.050 0.197 0.000 0.870 479 N CB -0.388 38.201 38.487 0.170 0.000 1.124 479 N HN -0.030 nan 8.380 nan 0.000 0.505 480 E N 1.646 121.898 120.200 0.087 0.000 2.558 480 E HA 0.091 4.441 4.350 0.000 0.000 0.255 480 E C -2.176 174.400 176.600 -0.040 0.000 0.968 480 E CA -1.377 55.043 56.400 0.034 0.000 0.939 480 E CB 0.314 30.023 29.700 0.015 0.000 0.921 480 E HN 0.292 nan 8.360 nan 0.000 0.477 481 P HA 0.080 nan 4.420 nan 0.000 0.272 481 P C -2.207 174.920 177.300 -0.290 0.000 1.223 481 P CA -1.039 61.918 63.100 -0.239 0.000 0.784 481 P CB 0.600 32.032 31.700 -0.446 0.000 0.923 482 P HA -0.122 nan 4.420 nan 0.000 0.215 482 P C 0.153 177.372 177.300 -0.134 0.000 1.153 482 P CA 1.241 64.032 63.100 -0.515 0.000 0.853 482 P CB -0.111 31.055 31.700 -0.889 0.000 0.788 483 F N 0.249 120.002 119.950 -0.330 0.000 2.529 483 F HA 0.119 4.646 4.527 0.000 0.000 0.365 483 F C 1.681 177.439 175.800 -0.070 0.000 1.102 483 F CA -1.151 56.721 58.000 -0.213 0.000 1.271 483 F CB -0.747 38.167 39.000 -0.143 0.000 1.120 483 F HN -0.165 nan 8.300 nan 0.000 0.579 484 R N 0.000 120.556 120.500 0.093 0.000 2.786 484 R HA 0.000 4.340 4.340 0.000 0.000 0.208 484 R CA 0.000 56.135 56.100 0.058 0.000 0.921 484 R CB 0.000 29.973 30.300 -0.545 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535