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_D 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 0.000 176.838 176.870 -0.053 0.000 1.165 8 L CA 0.000 54.854 54.840 0.023 0.000 0.813 8 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 9 T N 0.226 114.695 114.554 -0.141 0.000 2.944 9 T HA 0.550 4.900 4.350 0.000 0.000 0.284 9 T C -2.256 172.237 174.700 -0.345 0.000 1.010 9 T CA -1.769 60.084 62.100 -0.411 0.000 1.025 9 T CB 1.778 70.476 68.868 -0.284 0.000 1.079 9 T HN 0.360 nan 8.240 nan 0.000 0.516 10 P HA -0.143 nan 4.420 nan 0.000 0.214 10 P C 1.743 178.960 177.300 -0.139 0.000 1.169 10 P CA 2.040 64.993 63.100 -0.246 0.000 0.908 10 P CB -0.346 31.212 31.700 -0.236 0.000 0.791 11 A N -0.701 122.046 122.820 -0.122 0.000 1.908 11 A HA -0.293 4.027 4.320 0.000 0.000 0.218 11 A C 2.255 179.811 177.584 -0.047 0.000 1.181 11 A CA 1.849 53.847 52.037 -0.065 0.000 0.627 11 A CB -1.389 17.582 19.000 -0.048 0.000 0.818 11 A HN 0.233 nan 8.150 nan 0.000 0.445 12 Q N -0.768 118.995 119.800 -0.060 0.000 2.079 12 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 12 Q C 2.488 178.474 176.000 -0.023 0.000 0.974 12 Q CA 1.325 57.108 55.803 -0.033 0.000 0.840 12 Q CB -0.396 28.322 28.738 -0.034 0.000 0.898 12 Q HN 0.687 nan 8.270 nan 0.000 0.430 13 A N 1.070 123.863 122.820 -0.044 0.000 1.883 13 A HA -0.190 4.130 4.320 0.000 0.000 0.217 13 A C 2.101 179.687 177.584 0.003 0.000 1.186 13 A CA 1.238 53.262 52.037 -0.022 0.000 0.624 13 A CB -0.822 18.156 19.000 -0.036 0.000 0.822 13 A HN 0.290 nan 8.150 nan 0.000 0.444 14 L N -0.442 120.777 121.223 -0.006 0.000 2.012 14 L HA -0.234 4.106 4.340 0.000 0.000 0.210 14 L C 2.226 179.114 176.870 0.030 0.000 1.073 14 L CA 1.660 56.508 54.840 0.014 0.000 0.748 14 L CB -0.784 41.276 42.059 0.002 0.000 0.891 14 L HN 0.355 nan 8.230 nan 0.000 0.431 15 D N -0.010 120.403 120.400 0.021 0.000 2.117 15 D HA -0.210 4.430 4.640 0.000 0.000 0.197 15 D C 2.116 178.443 176.300 0.046 0.000 0.987 15 D CA 1.256 55.275 54.000 0.032 0.000 0.829 15 D CB -0.067 40.746 40.800 0.022 0.000 0.961 15 D HN 0.257 nan 8.370 nan 0.000 0.460 16 K N 0.493 120.918 120.400 0.040 0.000 2.097 16 K HA -0.054 4.266 4.320 0.000 0.000 0.205 16 K C 2.322 178.967 176.600 0.076 0.000 1.050 16 K CA 0.437 56.755 56.287 0.052 0.000 0.938 16 K CB -0.044 32.481 32.500 0.042 0.000 0.718 16 K HN 0.069 nan 8.250 nan 0.000 0.442 17 L N 0.892 122.161 121.223 0.076 0.000 2.017 17 L HA -0.227 4.113 4.340 0.000 0.000 0.208 17 L C 2.222 179.182 176.870 0.150 0.000 1.073 17 L CA 1.289 56.191 54.840 0.104 0.000 0.745 17 L CB -0.502 41.603 42.059 0.076 0.000 0.894 17 L HN 0.274 nan 8.230 nan 0.000 0.432 18 D N -0.008 120.467 120.400 0.126 0.000 2.123 18 D HA -0.189 4.451 4.640 0.000 0.000 0.196 18 D C 2.125 178.523 176.300 0.163 0.000 0.992 18 D CA 1.609 55.704 54.000 0.157 0.000 0.833 18 D CB 0.156 41.020 40.800 0.106 0.000 0.954 18 D HN 0.342 nan 8.370 nan 0.000 0.455 19 A N 0.977 123.865 122.820 0.114 0.000 1.835 19 A HA -0.142 4.178 4.320 0.000 0.000 0.215 19 A C 2.504 180.148 177.584 0.101 0.000 1.199 19 A CA 0.982 53.073 52.037 0.090 0.000 0.615 19 A CB -0.988 18.052 19.000 0.067 0.000 0.838 19 A HN 0.211 nan 8.150 nan 0.000 0.444 20 L N -2.050 119.244 121.223 0.117 0.000 2.042 20 L HA -0.239 4.101 4.340 0.000 0.000 0.210 20 L C 2.641 179.603 176.870 0.154 0.000 1.076 20 L CA 2.040 56.954 54.840 0.123 0.000 0.749 20 L CB -0.611 41.526 42.059 0.131 0.000 0.893 20 L HN 0.631 nan 8.230 nan 0.000 0.432 21 Y N 0.868 121.218 120.300 0.084 0.000 2.133 21 Y HA -0.244 4.306 4.550 0.000 0.000 0.287 21 Y C 2.660 178.602 175.900 0.069 0.000 1.134 21 Y CA 1.561 59.717 58.100 0.093 0.000 1.133 21 Y CB -0.136 38.393 38.460 0.115 0.000 0.987 21 Y HN 0.099 nan 8.280 nan 0.000 0.502 22 E N 0.408 120.608 120.200 0.001 0.000 2.097 22 E HA -0.310 4.040 4.350 0.000 0.000 0.196 22 E C 2.183 178.723 176.600 -0.099 0.000 1.000 22 E CA 1.634 57.985 56.400 -0.082 0.000 0.804 22 E CB -0.458 29.262 29.700 0.033 0.000 0.740 22 E HN 0.678 nan 8.360 nan 0.000 0.454 23 Q N 0.278 120.059 119.800 -0.032 0.000 2.050 23 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 23 Q C 2.260 178.251 176.000 -0.016 0.000 0.980 23 Q CA 1.782 57.579 55.803 -0.009 0.000 0.840 23 Q CB 0.076 28.828 28.738 0.023 0.000 0.898 23 Q HN 0.100 nan 8.270 nan 0.000 0.424 24 S N -0.058 115.622 115.700 -0.033 0.000 2.368 24 S HA -0.141 4.329 4.470 0.000 0.000 0.225 24 S C 1.876 176.436 174.600 -0.066 0.000 1.030 24 S CA 1.149 59.351 58.200 0.004 0.000 0.999 24 S CB -0.427 62.773 63.200 -0.001 0.000 0.844 24 S HN 0.424 nan 8.310 nan 0.000 0.459 25 V N 1.808 121.572 119.914 -0.251 0.000 2.343 25 V HA -0.124 3.996 4.120 0.000 0.000 0.247 25 V C 2.026 178.031 176.094 -0.149 0.000 1.051 25 V CA 1.731 63.870 62.300 -0.267 0.000 1.036 25 V CB -0.440 31.125 31.823 -0.429 0.000 0.654 25 V HN 0.375 nan 8.190 nan 0.000 0.451 26 V N 0.633 120.484 119.914 -0.106 0.000 2.358 26 V HA -0.147 3.973 4.120 0.000 0.000 0.246 26 V C 2.883 178.974 176.094 -0.004 0.000 1.047 26 V CA 2.002 64.271 62.300 -0.052 0.000 1.035 26 V CB -1.199 30.605 31.823 -0.031 0.000 0.658 26 V HN 0.659 nan 8.190 nan 0.000 0.452 27 A N -0.705 122.146 122.820 0.051 0.000 1.933 27 A HA -0.152 4.168 4.320 0.000 0.000 0.218 27 A C 2.264 179.986 177.584 0.230 0.000 1.175 27 A CA 1.759 53.899 52.037 0.171 0.000 0.628 27 A CB -0.439 18.703 19.000 0.237 0.000 0.814 27 A HN 0.479 nan 8.150 nan 0.000 0.444 28 L N -1.232 119.995 121.223 0.006 0.000 2.072 28 L HA -0.098 4.242 4.340 0.000 0.000 0.205 28 L C 2.815 179.499 176.870 -0.309 0.000 1.079 28 L CA 1.070 55.635 54.840 -0.459 0.000 0.752 28 L CB -0.300 41.410 42.059 -0.582 0.000 0.906 28 L HN 0.369 nan 8.230 nan 0.000 0.436 29 R N -0.356 120.032 120.500 -0.186 0.000 2.096 29 R HA -0.195 4.145 4.340 0.000 0.000 0.235 29 R C 2.119 178.356 176.300 -0.106 0.000 1.127 29 R CA 1.477 57.485 56.100 -0.153 0.000 0.968 29 R CB -0.398 29.841 30.300 -0.102 0.000 0.861 29 R HN 0.459 nan 8.270 nan 0.000 0.440 30 N N 0.758 119.433 118.700 -0.042 0.000 2.039 30 N HA -0.151 4.589 4.740 0.000 0.000 0.193 30 N C 1.693 177.224 175.510 0.036 0.000 1.044 30 N CA 1.712 54.767 53.050 0.009 0.000 0.847 30 N CB -0.098 38.419 38.487 0.049 0.000 1.030 30 N HN 0.189 nan 8.380 nan 0.000 0.422 31 A N 1.414 124.292 122.820 0.095 0.000 1.940 31 A HA -0.116 4.204 4.320 0.000 0.000 0.219 31 A C 2.391 180.051 177.584 0.127 0.000 1.176 31 A CA 1.046 53.215 52.037 0.220 0.000 0.631 31 A CB -0.653 18.642 19.000 0.492 0.000 0.814 31 A HN 0.397 nan 8.150 nan 0.000 0.446 32 I N -0.601 119.846 120.570 -0.206 0.000 2.252 32 I HA -0.183 3.987 4.170 0.000 0.000 0.245 32 I C 2.728 178.784 176.117 -0.103 0.000 1.102 32 I CA 1.083 62.138 61.300 -0.409 0.000 1.385 32 I CB -0.735 36.939 38.000 -0.543 0.000 1.064 32 I HN 0.401 nan 8.210 nan 0.000 0.414 33 G N 0.941 109.702 108.800 -0.065 0.000 2.446 33 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 33 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 33 G C 1.368 176.282 174.900 0.023 0.000 1.168 33 G CA 0.970 46.057 45.100 -0.022 0.000 0.771 33 G HN 0.310 nan 8.290 nan 0.000 0.551 34 N N -0.416 118.321 118.700 0.062 0.000 2.104 34 N HA -0.145 4.595 4.740 0.000 0.000 0.190 34 N C 1.761 177.334 175.510 0.104 0.000 1.024 34 N CA 1.246 54.344 53.050 0.080 0.000 0.853 34 N CB -0.532 38.022 38.487 0.110 0.000 1.008 34 N HN 0.483 nan 8.380 nan 0.000 0.424 35 Y N 1.204 121.550 120.300 0.077 0.000 2.145 35 Y HA -0.032 4.518 4.550 0.000 0.000 0.286 35 Y C 2.012 177.936 175.900 0.040 0.000 1.145 35 Y CA 1.319 59.479 58.100 0.099 0.000 1.148 35 Y CB -0.340 38.285 38.460 0.275 0.000 0.981 35 Y HN 0.009 nan 8.280 nan 0.000 0.507 36 I N -0.181 120.419 120.570 0.051 0.000 2.208 36 I HA -0.341 3.829 4.170 0.000 0.000 0.245 36 I C 2.434 178.488 176.117 -0.106 0.000 1.097 36 I CA 2.051 63.323 61.300 -0.046 0.000 1.363 36 I CB -0.704 37.295 38.000 -0.002 0.000 1.051 36 I HN 0.441 nan 8.210 nan 0.000 0.413 37 T N -2.614 111.896 114.554 -0.074 0.000 2.901 37 T HA -0.024 4.326 4.350 0.000 0.000 0.252 37 T C 1.540 176.186 174.700 -0.090 0.000 1.035 37 T CA 0.930 62.989 62.100 -0.069 0.000 1.142 37 T CB -0.325 68.520 68.868 -0.038 0.000 0.869 37 T HN 0.353 nan 8.240 nan 0.000 0.442 38 S N -0.010 115.635 115.700 -0.093 0.000 2.663 38 S HA 0.531 5.001 4.470 0.000 0.000 0.243 38 S C 1.611 176.125 174.600 -0.144 0.000 1.009 38 S CA 0.120 58.264 58.200 -0.095 0.000 0.988 38 S CB -0.161 63.009 63.200 -0.050 0.000 0.896 38 S HN 1.155 nan 8.310 nan 0.000 0.502 39 G N 1.797 110.427 108.800 -0.285 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 -0.132 174.672 174.900 -0.160 0.000 1.008 39 G CA 0.732 45.564 45.100 -0.446 0.000 0.774 39 G HN 0.797 nan 8.290 nan 0.000 0.511 40 E N -0.443 119.740 120.200 -0.028 0.000 2.313 40 E HA 0.493 4.843 4.350 0.000 0.000 0.276 40 E C 0.017 176.707 176.600 0.149 0.000 1.031 40 E CA -0.834 55.591 56.400 0.043 0.000 0.857 40 E CB 0.324 30.047 29.700 0.037 0.000 1.040 40 E HN 0.123 nan 8.360 nan 0.000 0.408 41 L N 5.324 126.557 121.223 0.016 0.000 2.334 41 L HA 0.472 4.812 4.340 0.000 0.000 0.272 41 L C -2.043 174.802 176.870 -0.042 0.000 1.020 41 L CA -1.896 52.892 54.840 -0.087 0.000 0.812 41 L CB 0.810 42.681 42.059 -0.313 0.000 1.264 41 L HN 0.603 nan 8.230 nan 0.000 0.439 42 P HA 0.195 nan 4.420 nan 0.000 0.274 42 P C -1.432 175.837 177.300 -0.052 0.000 1.246 42 P CA -0.555 62.560 63.100 0.025 0.000 0.795 42 P CB 0.370 32.159 31.700 0.148 0.000 1.006 43 D N 1.243 121.607 120.400 -0.060 0.000 2.225 43 D HA 0.022 4.662 4.640 0.000 0.000 0.248 43 D C 0.534 176.780 176.300 -0.090 0.000 1.096 43 D CA -0.384 53.575 54.000 -0.069 0.000 0.863 43 D CB 1.197 41.964 40.800 -0.056 0.000 1.156 43 D HN 0.222 nan 8.370 nan 0.000 0.450 44 E N 2.573 122.730 120.200 -0.071 0.000 2.147 44 E HA -0.268 4.082 4.350 0.000 0.000 0.199 44 E C 1.393 177.948 176.600 -0.075 0.000 1.005 44 E CA 1.247 57.607 56.400 -0.067 0.000 0.810 44 E CB -0.249 29.426 29.700 -0.042 0.000 0.736 44 E HN 0.642 nan 8.360 nan 0.000 0.460 45 N N 0.650 119.311 118.700 -0.066 0.000 2.084 45 N HA -0.135 4.605 4.740 0.000 0.000 0.190 45 N C 1.694 177.154 175.510 -0.083 0.000 1.030 45 N CA 1.874 54.888 53.050 -0.061 0.000 0.849 45 N CB -0.220 38.239 38.487 -0.047 0.000 1.012 45 N HN 0.140 nan 8.380 nan 0.000 0.423 46 A N 0.811 123.566 122.820 -0.108 0.000 1.883 46 A HA -0.152 4.168 4.320 0.000 0.000 0.217 46 A C 2.224 179.684 177.584 -0.206 0.000 1.186 46 A CA 1.508 53.459 52.037 -0.143 0.000 0.624 46 A CB -0.622 18.282 19.000 -0.160 0.000 0.822 46 A HN 0.382 nan 8.150 nan 0.000 0.444 47 R N -0.489 119.847 120.500 -0.274 0.000 2.083 47 R HA -0.143 4.197 4.340 0.000 0.000 0.237 47 R C 2.256 178.462 176.300 -0.156 0.000 1.137 47 R CA 1.639 57.547 56.100 -0.319 0.000 0.951 47 R CB -0.351 29.781 30.300 -0.280 0.000 0.851 47 R HN 0.554 nan 8.270 nan 0.000 0.434 48 K N 0.636 120.974 120.400 -0.104 0.000 2.519 48 K HA -0.173 4.147 4.320 0.000 0.000 0.196 48 K C 1.327 177.895 176.600 -0.052 0.000 1.041 48 K CA 1.016 57.267 56.287 -0.060 0.000 0.954 48 K CB 0.225 32.698 32.500 -0.045 0.000 0.774 48 K HN -0.028 nan 8.250 nan 0.000 0.480 49 Q N -0.726 119.032 119.800 -0.070 0.000 2.219 49 Q HA 0.168 4.508 4.340 0.000 0.000 0.209 49 Q C 0.083 176.057 176.000 -0.042 0.000 0.854 49 Q CA 0.603 56.376 55.803 -0.049 0.000 0.960 49 Q CB 1.154 29.861 28.738 -0.052 0.000 1.116 49 Q HN 0.417 nan 8.270 nan 0.000 0.500 50 G N 0.416 109.183 108.800 -0.054 0.000 2.167 50 G HA2 -0.255 3.705 3.960 0.000 0.000 0.194 50 G HA3 -0.255 3.705 3.960 0.000 0.000 0.194 50 G C 0.351 175.226 174.900 -0.042 0.000 1.027 50 G CA 0.334 45.420 45.100 -0.023 0.000 0.717 50 G HN 0.332 nan 8.290 nan 0.000 0.501 51 L N -0.487 120.644 121.223 -0.154 0.000 2.027 51 L HA 0.366 4.706 4.340 0.000 0.000 0.206 51 L C 2.090 178.960 176.870 -0.000 0.000 1.074 51 L CA 2.208 56.920 54.840 -0.214 0.000 0.745 51 L CB -0.344 41.372 42.059 -0.572 0.000 0.898 51 L HN 0.391 nan 8.230 nan 0.000 0.433 52 F N -1.681 118.275 119.950 0.008 0.000 2.639 52 F HA 0.244 4.771 4.527 0.000 0.000 0.302 52 F C 0.643 176.415 175.800 -0.047 0.000 1.097 52 F CA -0.944 57.047 58.000 -0.016 0.000 1.294 52 F CB 0.341 39.355 39.000 0.024 0.000 1.027 52 F HN -0.269 nan 8.300 nan 0.000 0.550 53 V N 0.702 120.702 119.914 0.143 0.000 2.775 53 V HA -0.023 4.097 4.120 0.000 0.000 0.299 53 V C 0.033 176.213 176.094 0.143 0.000 1.062 53 V CA -0.449 61.928 62.300 0.129 0.000 1.063 53 V CB 0.593 32.486 31.823 0.116 0.000 0.994 53 V HN 0.091 nan 8.190 nan 0.000 0.483 54 Y N 4.457 124.880 120.300 0.205 0.000 2.326 54 Y HA 0.268 4.818 4.550 0.000 0.000 0.333 54 Y C -1.797 174.206 175.900 0.171 0.000 1.240 54 Y CA -1.669 56.565 58.100 0.224 0.000 1.365 54 Y CB 0.580 39.160 38.460 0.199 0.000 1.289 54 Y HN 0.479 nan 8.280 nan 0.000 0.548 55 P HA 0.059 nan 4.420 nan 0.000 0.272 55 P C -1.060 176.332 177.300 0.155 0.000 1.230 55 P CA -0.262 62.967 63.100 0.215 0.000 0.788 55 P CB 0.939 32.758 31.700 0.199 0.000 0.949 56 S N 1.490 117.249 115.700 0.099 0.000 2.519 56 S HA 0.595 5.065 4.470 0.000 0.000 0.309 56 S C -1.292 173.320 174.600 0.019 0.000 1.100 56 S CA -0.616 57.613 58.200 0.048 0.000 1.059 56 S CB -0.041 63.184 63.200 0.041 0.000 1.008 56 S HN 0.284 nan 8.310 nan 0.000 0.478 57 L N 5.201 126.415 121.223 -0.014 0.000 2.287 57 L HA 0.712 5.052 4.340 0.000 0.000 0.287 57 L C -0.596 176.244 176.870 -0.051 0.000 1.022 57 L CA 0.362 55.194 54.840 -0.014 0.000 0.814 57 L CB 1.574 43.636 42.059 0.006 0.000 1.217 57 L HN 0.669 nan 8.230 nan 0.000 0.420 58 T N 4.365 118.909 114.554 -0.017 0.000 2.824 58 T HA 0.691 5.041 4.350 0.000 0.000 0.282 58 T C -0.989 173.750 174.700 0.065 0.000 0.993 58 T CA -0.465 61.639 62.100 0.006 0.000 0.967 58 T CB 1.714 70.609 68.868 0.045 0.000 0.960 58 T HN 0.324 nan 8.240 nan 0.000 0.441 59 V N 3.326 123.322 119.914 0.136 0.000 2.483 59 V HA 0.553 4.673 4.120 0.000 0.000 0.297 59 V C -0.074 176.216 176.094 0.327 0.000 1.027 59 V CA -0.672 61.756 62.300 0.213 0.000 0.855 59 V CB 2.083 34.038 31.823 0.221 0.000 0.995 59 V HN 1.008 nan 8.190 nan 0.000 0.424 60 T N 3.903 118.640 114.554 0.304 0.000 2.888 60 T HA 0.568 4.918 4.350 0.000 0.000 0.284 60 T C -1.414 173.410 174.700 0.207 0.000 1.017 60 T CA -0.388 61.882 62.100 0.283 0.000 1.022 60 T CB 1.719 70.757 68.868 0.283 0.000 1.013 60 T HN 0.669 nan 8.240 nan 0.000 0.465 61 W N 3.874 125.068 121.300 -0.177 0.000 2.900 61 W HA 0.366 5.026 4.660 0.000 0.000 0.336 61 W C 0.499 176.929 176.519 -0.148 0.000 1.064 61 W CA -1.440 55.709 57.345 -0.328 0.000 1.237 61 W CB 1.232 30.085 29.460 -1.012 0.000 1.391 61 W HN 0.783 nan 8.180 nan 0.000 0.468 62 D N 2.346 122.457 120.400 -0.482 0.000 2.224 62 D HA 0.050 4.690 4.640 0.000 0.000 0.205 62 D C 1.483 177.279 176.300 -0.839 0.000 0.965 62 D CA 1.345 55.049 54.000 -0.493 0.000 0.852 62 D CB 0.035 40.654 40.800 -0.301 0.000 0.947 62 D HN 0.875 nan 8.370 nan 0.000 0.494 63 G N -0.098 107.598 108.800 -1.840 0.000 2.238 63 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 63 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 63 G C 0.227 174.562 174.900 -0.942 0.000 0.996 63 G CA 0.159 44.093 45.100 -1.942 0.000 0.632 63 G HN 0.409 nan 8.290 nan 0.000 0.503 64 S N 1.325 116.702 115.700 -0.538 0.000 2.475 64 S HA 0.716 5.186 4.470 0.000 0.000 0.281 64 S C -0.088 174.556 174.600 0.074 0.000 1.198 64 S CA 0.436 58.547 58.200 -0.148 0.000 1.063 64 S CB 1.723 64.850 63.200 -0.122 0.000 0.972 64 S HN 0.624 nan 8.310 nan 0.000 0.486 65 T N 2.023 116.664 114.554 0.144 0.000 3.225 65 T HA 0.185 4.535 4.350 0.000 0.000 0.356 65 T C 1.050 175.794 174.700 0.074 0.000 1.460 65 T CA -0.784 61.408 62.100 0.155 0.000 1.126 65 T CB 1.452 70.474 68.868 0.256 0.000 1.321 65 T HN 0.457 nan 8.240 nan 0.000 0.478 66 T N 2.568 117.137 114.554 0.025 0.000 2.428 66 T HA -0.129 4.221 4.350 0.000 0.000 0.248 66 T C 0.882 175.583 174.700 0.001 0.000 1.284 66 T CA 1.622 63.725 62.100 0.005 0.000 1.217 66 T CB -0.298 68.562 68.868 -0.013 0.000 0.864 66 T HN 0.813 nan 8.240 nan 0.000 0.402 67 N N 1.897 120.579 118.700 -0.030 0.000 2.648 67 N HA 0.358 5.098 4.740 0.000 0.000 0.261 67 N C -3.531 171.920 175.510 -0.098 0.000 1.138 67 N CA -1.290 51.737 53.050 -0.038 0.000 0.804 67 N CB 1.150 39.618 38.487 -0.032 0.000 1.237 67 N HN 0.162 nan 8.380 nan 0.000 0.532 68 P HA 0.289 nan 4.420 nan 0.000 0.271 68 P C -2.542 174.645 177.300 -0.187 0.000 1.233 68 P CA -0.836 62.083 63.100 -0.302 0.000 0.789 68 P CB -0.120 31.396 31.700 -0.305 0.000 0.951 69 P HA 0.055 nan 4.420 nan 0.000 0.267 69 P C 0.349 177.605 177.300 -0.074 0.000 1.328 69 P CA 0.199 63.224 63.100 -0.126 0.000 0.990 69 P CB 0.091 31.709 31.700 -0.136 0.000 1.168 70 K N 0.969 121.335 120.400 -0.057 0.000 2.365 70 K HA 0.001 4.321 4.320 0.000 0.000 0.197 70 K C 1.419 177.990 176.600 -0.048 0.000 1.042 70 K CA 1.172 57.439 56.287 -0.033 0.000 0.987 70 K CB -0.394 32.096 32.500 -0.017 0.000 0.779 70 K HN 0.431 nan 8.250 nan 0.000 0.484 71 T N -2.414 112.099 114.554 -0.068 0.000 2.990 71 T HA 0.126 4.476 4.350 0.000 0.000 0.250 71 T C 1.022 175.659 174.700 -0.106 0.000 1.041 71 T CA -0.382 61.674 62.100 -0.073 0.000 1.010 71 T CB 0.329 69.160 68.868 -0.062 0.000 1.003 71 T HN -0.026 nan 8.240 nan 0.000 0.499 72 R N 0.857 121.266 120.500 -0.152 0.000 2.623 72 R HA 0.436 4.776 4.340 0.000 0.000 0.271 72 R C 1.500 177.655 176.300 -0.242 0.000 1.043 72 R CA 0.464 56.409 56.100 -0.257 0.000 1.083 72 R CB 0.272 30.367 30.300 -0.342 0.000 0.974 72 R HN 0.282 nan 8.270 nan 0.000 0.436 73 A N 5.042 127.699 122.820 -0.271 0.000 1.968 73 A HA 0.036 4.356 4.320 0.000 0.000 0.217 73 A C 0.259 177.843 177.584 0.001 0.000 1.169 73 A CA 0.873 52.864 52.037 -0.077 0.000 0.638 73 A CB -0.251 18.814 19.000 0.109 0.000 0.812 73 A HN 0.669 nan 8.150 nan 0.000 0.446 74 F N -4.910 115.014 119.950 -0.043 0.000 2.790 74 F HA 0.659 5.186 4.527 0.000 0.000 0.337 74 F C 0.886 176.603 175.800 -0.140 0.000 1.163 74 F CA -1.226 56.729 58.000 -0.074 0.000 0.997 74 F CB 0.427 39.399 39.000 -0.048 0.000 1.437 74 F HN 0.407 nan 8.300 nan 0.000 0.512 75 G N 1.236 110.105 108.800 0.116 0.000 2.305 75 G HA2 -0.233 3.727 3.960 0.000 0.000 0.287 75 G HA3 -0.233 3.727 3.960 0.000 0.000 0.287 75 G C -0.271 174.428 174.900 -0.335 0.000 1.036 75 G CA 0.255 45.291 45.100 -0.106 0.000 0.887 75 G HN 0.794 nan 8.290 nan 0.000 0.505 76 R N -1.755 118.484 120.500 -0.436 0.000 2.892 76 R HA 0.759 5.099 4.340 0.000 0.000 0.265 76 R C -0.964 174.815 176.300 -0.869 0.000 1.025 76 R CA -0.902 54.888 56.100 -0.516 0.000 0.982 76 R CB 1.107 31.280 30.300 -0.212 0.000 1.185 76 R HN 0.056 nan 8.270 nan 0.000 0.484 77 F N -0.453 119.039 119.950 -0.764 0.000 2.482 77 F HA 0.293 4.820 4.527 0.000 0.000 0.331 77 F C 1.129 176.726 175.800 -0.338 0.000 1.115 77 F CA -0.499 57.036 58.000 -0.775 0.000 0.955 77 F CB 2.323 40.515 39.000 -1.347 0.000 1.136 77 F HN 0.472 nan 8.300 nan 0.000 0.452 78 T N 0.617 115.180 114.554 0.014 0.000 3.054 78 T HA 0.036 4.386 4.350 0.000 0.000 0.259 78 T C -0.461 174.439 174.700 0.334 0.000 1.092 78 T CA 0.876 63.063 62.100 0.145 0.000 1.121 78 T CB -0.353 68.618 68.868 0.171 0.000 0.912 78 T HN 0.742 nan 8.240 nan 0.000 0.489 79 H N -1.664 117.684 119.070 0.464 0.000 2.932 79 H HA 0.738 5.294 4.556 0.000 0.000 0.307 79 H C -0.923 174.764 175.328 0.598 0.000 1.391 79 H CA -1.167 55.160 56.048 0.466 0.000 1.130 79 H CB 0.456 30.382 29.762 0.274 0.000 1.836 79 H HN -0.023 nan 8.280 nan 0.000 0.522 80 A N 0.269 123.397 122.820 0.513 0.000 2.304 80 A HA 0.801 5.121 4.320 0.000 0.000 0.271 80 A C 0.886 178.668 177.584 0.329 0.000 1.091 80 A CA 0.407 52.599 52.037 0.259 0.000 0.812 80 A CB -0.362 18.545 19.000 -0.156 0.000 1.056 80 A HN 1.856 nan 8.150 nan 0.000 0.489 81 G N -0.912 108.003 108.800 0.191 0.000 2.346 81 G HA2 0.375 4.335 3.960 0.000 0.000 0.294 81 G HA3 0.375 4.335 3.960 0.000 0.000 0.294 81 G C -0.650 174.319 174.900 0.115 0.000 1.294 81 G CA -0.172 44.990 45.100 0.103 0.000 0.962 81 G HN 1.179 nan 8.290 nan 0.000 0.508 82 S N -0.321 115.412 115.700 0.054 0.000 2.475 82 S HA 0.748 5.218 4.470 0.000 0.000 0.298 82 S C -1.364 173.283 174.600 0.079 0.000 1.119 82 S CA -0.260 58.077 58.200 0.228 0.000 1.085 82 S CB 0.940 64.400 63.200 0.434 0.000 1.028 82 S HN 0.484 nan 8.310 nan 0.000 0.489 83 Y N 0.977 121.381 120.300 0.173 0.000 2.350 83 Y HA 0.604 5.154 4.550 0.000 0.000 0.338 83 Y C 0.652 176.472 175.900 -0.133 0.000 0.961 83 Y CA -0.622 57.495 58.100 0.029 0.000 1.100 83 Y CB 1.970 40.438 38.460 0.015 0.000 1.179 83 Y HN 0.543 nan 8.280 nan 0.000 0.454 84 T N 1.039 115.491 114.554 -0.170 0.000 2.887 84 T HA 0.796 5.146 4.350 0.000 0.000 0.292 84 T C -1.189 173.361 174.700 -0.250 0.000 1.087 84 T CA -0.410 61.517 62.100 -0.288 0.000 1.009 84 T CB 1.865 70.369 68.868 -0.606 0.000 1.203 84 T HN 0.702 nan 8.240 nan 0.000 0.518 85 T N 1.084 115.512 114.554 -0.211 0.000 3.128 85 T HA 0.487 4.837 4.350 0.000 0.000 0.363 85 T C -0.664 173.962 174.700 -0.123 0.000 1.610 85 T CA -0.240 61.755 62.100 -0.175 0.000 1.126 85 T CB 0.812 69.559 68.868 -0.202 0.000 1.416 85 T HN 1.012 nan 8.240 nan 0.000 0.480 86 T N 2.683 117.166 114.554 -0.119 0.000 2.868 86 T HA 0.752 5.102 4.350 0.000 0.000 0.292 86 T C 0.214 174.815 174.700 -0.164 0.000 1.028 86 T CA -0.657 61.386 62.100 -0.096 0.000 1.059 86 T CB 0.449 69.233 68.868 -0.140 0.000 0.991 86 T HN 0.588 nan 8.240 nan 0.000 0.531 87 I N 0.434 120.936 120.570 -0.113 0.000 2.730 87 I HA 0.511 4.681 4.170 0.000 0.000 0.298 87 I C -0.077 175.962 176.117 -0.130 0.000 1.089 87 I CA -0.819 60.394 61.300 -0.146 0.000 1.041 87 I CB 2.657 40.618 38.000 -0.065 0.000 1.235 87 I HN 0.768 nan 8.210 nan 0.000 0.423 88 T N 3.946 118.351 114.554 -0.248 0.000 2.906 88 T HA 0.412 4.762 4.350 0.000 0.000 0.295 88 T C -0.564 173.886 174.700 -0.417 0.000 1.075 88 T CA -0.458 61.463 62.100 -0.298 0.000 1.005 88 T CB 0.946 69.780 68.868 -0.055 0.000 1.136 88 T HN 0.618 nan 8.240 nan 0.000 0.498 89 R N 1.513 121.506 120.500 -0.844 0.000 3.092 89 R HA -0.130 4.210 4.340 0.000 0.000 0.245 89 R C -2.322 173.949 176.300 -0.048 0.000 0.881 89 R CA 0.397 56.294 56.100 -0.338 0.000 0.614 89 R CB -1.874 28.432 30.300 0.010 0.000 1.128 89 R HN 0.584 nan 8.270 nan 0.000 0.483 90 P HA -0.111 nan 4.420 nan 0.000 0.218 90 P C 1.289 178.637 177.300 0.081 0.000 1.148 90 P CA 1.140 64.260 63.100 0.034 0.000 0.822 90 P CB 0.196 31.911 31.700 0.024 0.000 0.784 91 T N 0.065 114.652 114.554 0.056 0.000 2.737 91 T HA -0.130 4.220 4.350 0.000 0.000 0.265 91 T C 1.647 176.345 174.700 -0.003 0.000 1.038 91 T CA 1.022 63.146 62.100 0.040 0.000 1.144 91 T CB -0.961 67.934 68.868 0.045 0.000 0.866 91 T HN 0.025 nan 8.240 nan 0.000 0.434 92 L N 0.383 121.575 121.223 -0.050 0.000 2.079 92 L HA 0.052 4.392 4.340 0.000 0.000 0.210 92 L C 1.145 177.811 176.870 -0.341 0.000 1.081 92 L CA 1.768 56.473 54.840 -0.225 0.000 0.752 92 L CB -0.658 41.197 42.059 -0.339 0.000 0.896 92 L HN 0.205 nan 8.230 nan 0.000 0.433 93 F N -1.185 118.742 119.950 -0.038 0.000 2.639 93 F HA 0.255 4.782 4.527 0.000 0.000 0.300 93 F C 2.053 177.875 175.800 0.036 0.000 1.109 93 F CA -0.165 57.837 58.000 0.003 0.000 1.335 93 F CB -0.284 38.721 39.000 0.007 0.000 1.014 93 F HN -0.010 nan 8.300 nan 0.000 0.537 94 R N 0.577 121.150 120.500 0.121 0.000 2.103 94 R HA -0.184 4.156 4.340 0.000 0.000 0.234 94 R C 2.270 178.603 176.300 0.054 0.000 1.132 94 R CA 2.385 58.529 56.100 0.073 0.000 0.925 94 R CB -0.689 29.632 30.300 0.036 0.000 0.842 94 R HN 0.133 nan 8.270 nan 0.000 0.430 95 S N -0.525 115.202 115.700 0.046 0.000 2.359 95 S HA -0.237 4.233 4.470 0.000 0.000 0.222 95 S C 1.631 176.242 174.600 0.018 0.000 1.038 95 S CA 1.587 59.802 58.200 0.025 0.000 1.051 95 S CB -0.791 62.426 63.200 0.029 0.000 0.944 95 S HN 0.476 nan 8.310 nan 0.000 0.433 96 Y N 2.381 122.655 120.300 -0.044 0.000 2.030 96 Y HA -0.198 4.352 4.550 0.000 0.000 0.274 96 Y C 2.070 177.867 175.900 -0.171 0.000 1.153 96 Y CA 1.547 59.596 58.100 -0.086 0.000 1.115 96 Y CB -0.715 37.763 38.460 0.030 0.000 0.969 96 Y HN 0.129 nan 8.280 nan 0.000 0.488 97 L N 0.189 121.369 121.223 -0.071 0.000 2.043 97 L HA -0.296 4.044 4.340 0.000 0.000 0.212 97 L C 2.374 179.077 176.870 -0.280 0.000 1.075 97 L CA 1.911 56.610 54.840 -0.234 0.000 0.752 97 L CB -0.849 41.220 42.059 0.016 0.000 0.891 97 L HN 0.350 nan 8.230 nan 0.000 0.432 98 N N 0.189 118.795 118.700 -0.157 0.000 2.058 98 N HA -0.272 4.468 4.740 0.000 0.000 0.191 98 N C 1.845 177.243 175.510 -0.188 0.000 1.037 98 N CA 1.789 54.757 53.050 -0.136 0.000 0.848 98 N CB -0.079 38.363 38.487 -0.075 0.000 1.021 98 N HN 0.298 nan 8.380 nan 0.000 0.422 99 E N -0.645 119.424 120.200 -0.218 0.000 2.085 99 E HA -0.255 4.095 4.350 0.000 0.000 0.194 99 E C 1.680 178.094 176.600 -0.309 0.000 0.994 99 E CA 1.107 57.376 56.400 -0.218 0.000 0.801 99 E CB -0.009 29.567 29.700 -0.206 0.000 0.743 99 E HN 0.433 nan 8.360 nan 0.000 0.453 100 Q N 0.310 119.761 119.800 -0.582 0.000 2.079 100 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 100 Q C 2.481 178.225 176.000 -0.426 0.000 0.974 100 Q CA 0.983 56.350 55.803 -0.727 0.000 0.840 100 Q CB -0.339 27.414 28.738 -1.642 0.000 0.898 100 Q HN 0.414 nan 8.270 nan 0.000 0.430 101 L N 0.251 121.271 121.223 -0.338 0.000 2.093 101 L HA -0.159 4.181 4.340 0.000 0.000 0.208 101 L C 2.375 179.238 176.870 -0.011 0.000 1.085 101 L CA 1.250 56.041 54.840 -0.081 0.000 0.755 101 L CB -0.612 41.410 42.059 -0.062 0.000 0.904 101 L HN 0.213 nan 8.230 nan 0.000 0.435 102 T N 0.356 114.878 114.554 -0.053 0.000 2.684 102 T HA -0.186 4.164 4.350 0.000 0.000 0.267 102 T C 1.968 176.721 174.700 0.089 0.000 1.036 102 T CA 1.270 63.391 62.100 0.035 0.000 1.148 102 T CB -0.262 68.604 68.868 -0.004 0.000 0.863 102 T HN 0.185 nan 8.240 nan 0.000 0.436 103 L N 0.459 121.692 121.223 0.017 0.000 2.012 103 L HA -0.095 4.245 4.340 0.000 0.000 0.210 103 L C 2.490 179.420 176.870 0.099 0.000 1.073 103 L CA 1.312 56.172 54.840 0.033 0.000 0.748 103 L CB -0.622 41.428 42.059 -0.015 0.000 0.891 103 L HN 0.273 nan 8.230 nan 0.000 0.431 104 L N -2.096 119.177 121.223 0.084 0.000 2.156 104 L HA -0.224 4.116 4.340 0.000 0.000 0.208 104 L C 2.560 179.620 176.870 0.316 0.000 1.095 104 L CA 0.975 55.909 54.840 0.156 0.000 0.770 104 L CB -0.609 41.497 42.059 0.078 0.000 0.914 104 L HN 0.219 nan 8.230 nan 0.000 0.439 105 Y N 1.212 121.590 120.300 0.130 0.000 2.184 105 Y HA -0.219 4.331 4.550 0.000 0.000 0.290 105 Y C 2.667 178.644 175.900 0.128 0.000 1.129 105 Y CA 1.603 59.782 58.100 0.132 0.000 1.144 105 Y CB -0.078 38.431 38.460 0.081 0.000 0.995 105 Y HN 0.167 nan 8.280 nan 0.000 0.513 106 Q N -0.997 118.901 119.800 0.163 0.000 2.269 106 Q HA -0.072 4.268 4.340 0.000 0.000 0.201 106 Q C 0.935 176.945 176.000 0.016 0.000 0.946 106 Q CA 1.312 57.141 55.803 0.042 0.000 0.877 106 Q CB 0.128 28.916 28.738 0.083 0.000 0.963 106 Q HN 0.471 nan 8.270 nan 0.000 0.472 107 D N -1.176 119.260 120.400 0.061 0.000 2.366 107 D HA -0.006 4.634 4.640 0.000 0.000 0.205 107 D C 0.318 176.518 176.300 -0.167 0.000 1.022 107 D CA 0.739 54.704 54.000 -0.058 0.000 0.868 107 D CB 0.368 41.127 40.800 -0.068 0.000 0.953 107 D HN 0.222 nan 8.370 nan 0.000 0.514 108 Y N -0.919 119.406 120.300 0.043 0.000 2.540 108 Y HA 0.314 4.864 4.550 0.000 0.000 0.257 108 Y C 1.297 177.321 175.900 0.207 0.000 1.090 108 Y CA -0.172 58.002 58.100 0.124 0.000 1.242 108 Y CB 0.955 39.381 38.460 -0.057 0.000 1.325 108 Y HN -0.086 nan 8.280 nan 0.000 0.544 109 G N 1.747 110.670 108.800 0.205 0.000 2.350 109 G HA2 -0.100 3.860 3.960 0.000 0.000 0.298 109 G HA3 -0.100 3.860 3.960 0.000 0.000 0.298 109 G C 0.182 175.208 174.900 0.210 0.000 1.037 109 G CA 0.181 45.318 45.100 0.062 0.000 1.074 109 G HN 0.613 nan 8.290 nan 0.000 0.511 110 A N 0.088 123.087 122.820 0.297 0.000 2.340 110 A HA 0.644 4.964 4.320 0.000 0.000 0.268 110 A C 0.284 178.088 177.584 0.367 0.000 1.100 110 A CA -0.091 52.162 52.037 0.360 0.000 0.803 110 A CB 0.489 19.729 19.000 0.400 0.000 1.043 110 A HN 1.290 nan 8.150 nan 0.000 0.488 111 H N 1.893 121.105 119.070 0.237 0.000 2.846 111 H HA 0.509 5.065 4.556 0.000 0.000 0.278 111 H C -0.473 174.980 175.328 0.209 0.000 1.117 111 H CA -0.284 55.891 56.048 0.212 0.000 1.406 111 H CB -0.202 29.650 29.762 0.151 0.000 1.445 111 H HN 0.461 nan 8.280 nan 0.000 0.469 112 I N 4.271 124.733 120.570 -0.181 0.000 2.499 112 I HA 0.295 4.465 4.170 0.000 0.000 0.296 112 I C -0.138 175.776 176.117 -0.339 0.000 0.992 112 I CA -0.516 60.686 61.300 -0.164 0.000 1.297 112 I CB 1.410 39.385 38.000 -0.042 0.000 1.410 112 I HN 0.710 nan 8.210 nan 0.000 0.507 113 S N 4.290 119.889 115.700 -0.169 0.000 2.535 113 S HA 0.708 5.178 4.470 0.000 0.000 0.272 113 S C -1.148 173.445 174.600 -0.012 0.000 1.149 113 S CA -0.783 57.360 58.200 -0.095 0.000 0.888 113 S CB 1.735 64.903 63.200 -0.053 0.000 1.110 113 S HN 0.269 nan 8.310 nan 0.000 0.463 114 V N 3.532 123.452 119.914 0.011 0.000 2.680 114 V HA 0.880 5.000 4.120 0.000 0.000 0.309 114 V C -0.906 175.217 176.094 0.048 0.000 1.052 114 V CA -0.399 61.920 62.300 0.032 0.000 0.908 114 V CB 1.610 33.455 31.823 0.036 0.000 1.001 114 V HN 1.084 nan 8.190 nan 0.000 0.431 115 Q N 3.334 123.168 119.800 0.057 0.000 2.702 115 Q HA 0.488 4.828 4.340 0.000 0.000 0.289 115 Q C -3.323 172.721 176.000 0.074 0.000 0.923 115 Q CA -2.105 53.736 55.803 0.063 0.000 0.787 115 Q CB 1.555 30.331 28.738 0.063 0.000 1.476 115 Q HN 0.370 nan 8.270 nan 0.000 0.402 116 P HA 0.076 nan 4.420 nan 0.000 0.268 116 P C -0.151 177.198 177.300 0.082 0.000 1.204 116 P CA 0.449 63.601 63.100 0.086 0.000 0.768 116 P CB 0.771 32.510 31.700 0.066 0.000 0.842 117 S N 2.610 118.378 115.700 0.114 0.000 2.646 117 S HA 0.199 4.669 4.470 0.000 0.000 0.273 117 S C 0.662 175.282 174.600 0.033 0.000 1.168 117 S CA -0.311 57.948 58.200 0.098 0.000 1.013 117 S CB 0.479 63.799 63.200 0.200 0.000 1.098 117 S HN 0.327 nan 8.310 nan 0.000 0.544 118 Q N 0.141 119.880 119.800 -0.102 0.000 2.198 118 Q HA 0.242 4.582 4.340 0.000 0.000 0.209 118 Q C -0.606 175.213 176.000 -0.300 0.000 0.848 118 Q CA 0.139 55.817 55.803 -0.209 0.000 0.974 118 Q CB -0.011 28.560 28.738 -0.279 0.000 1.115 118 Q HN 0.639 nan 8.270 nan 0.000 0.494 119 H N 0.723 119.889 119.070 0.160 0.000 2.481 119 H HA 0.351 4.907 4.556 0.000 0.000 0.333 119 H C -0.145 175.340 175.328 0.262 0.000 1.066 119 H CA -0.222 55.957 56.048 0.218 0.000 1.209 119 H CB 1.229 31.144 29.762 0.254 0.000 1.445 119 H HN 0.059 nan 8.280 nan 0.000 0.488 120 E N 2.820 123.204 120.200 0.307 0.000 2.313 120 E HA 0.249 4.599 4.350 0.000 0.000 0.272 120 E C 0.227 176.903 176.600 0.125 0.000 1.038 120 E CA -0.638 55.889 56.400 0.213 0.000 0.863 120 E CB 1.776 31.622 29.700 0.243 0.000 1.060 120 E HN 0.436 nan 8.360 nan 0.000 0.402 121 I N 4.082 124.570 120.570 -0.136 0.000 2.452 121 I HA 0.086 4.256 4.170 0.000 0.000 0.287 121 I C -2.120 173.986 176.117 -0.018 0.000 1.079 121 I CA -1.912 59.213 61.300 -0.293 0.000 1.387 121 I CB 0.254 37.975 38.000 -0.466 0.000 1.404 121 I HN 0.126 nan 8.210 nan 0.000 0.522 122 P HA -0.072 nan 4.420 nan 0.000 0.267 122 P C 0.273 177.439 177.300 -0.224 0.000 1.209 122 P CA -0.012 63.035 63.100 -0.089 0.000 0.763 122 P CB 0.227 31.814 31.700 -0.187 0.000 0.816 123 Y N 5.793 125.974 120.300 -0.199 0.000 2.228 123 Y HA -0.172 4.378 4.550 0.000 0.000 0.285 123 Y C -1.150 174.594 175.900 -0.259 0.000 1.178 123 Y CA 1.401 59.341 58.100 -0.267 0.000 1.202 123 Y CB -2.915 35.344 38.460 -0.334 0.000 0.974 123 Y HN 0.353 nan 8.280 nan 0.000 0.527 124 P HA -0.145 nan 4.420 nan 0.000 0.222 124 P C 0.603 177.720 177.300 -0.305 0.000 1.147 124 P CA 1.598 64.338 63.100 -0.601 0.000 0.790 124 P CB -0.277 30.919 31.700 -0.840 0.000 0.780 125 Y N -1.385 118.856 120.300 -0.099 0.000 2.490 125 Y HA 0.067 4.617 4.550 0.000 0.000 0.281 125 Y C 1.632 177.523 175.900 -0.016 0.000 1.174 125 Y CA -0.275 57.809 58.100 -0.027 0.000 1.295 125 Y CB -0.922 37.563 38.460 0.042 0.000 1.062 125 Y HN -0.110 nan 8.280 nan 0.000 0.522 126 V N -2.839 117.112 119.914 0.061 0.000 3.121 126 V HA 0.385 4.505 4.120 0.000 0.000 0.344 126 V C 0.254 176.342 176.094 -0.011 0.000 1.390 126 V CA -0.374 61.932 62.300 0.009 0.000 1.177 126 V CB -0.975 30.806 31.823 -0.069 0.000 1.163 126 V HN 0.042 nan 8.190 nan 0.000 0.484 135 D N 0.610 121.011 120.400 0.002 0.000 2.349 135 D HA 0.320 4.960 4.640 0.000 0.000 0.239 135 D C 0.378 176.689 176.300 0.019 0.000 1.315 135 D CA 0.013 54.018 54.000 0.010 0.000 0.937 135 D CB 0.900 41.706 40.800 0.012 0.000 1.133 135 D HN 0.587 nan 8.370 nan 0.000 0.489 136 R N -0.086 120.427 120.500 0.020 0.000 2.577 136 R HA 0.217 4.557 4.340 0.000 0.000 0.344 136 R C -0.076 176.243 176.300 0.031 0.000 1.037 136 R CA -0.268 55.847 56.100 0.025 0.000 1.102 136 R CB -0.630 29.680 30.300 0.017 0.000 1.313 136 R HN 0.391 nan 8.270 nan 0.000 0.561 140 A N 1.684 124.535 122.820 0.052 0.000 1.898 140 A HA 0.318 4.638 4.320 0.000 0.000 0.216 140 A C 2.070 179.649 177.584 -0.008 0.000 1.181 140 A CA 2.059 54.111 52.037 0.024 0.000 0.620 140 A CB -1.256 17.763 19.000 0.033 0.000 0.819 140 A HN 0.556 nan 8.150 nan 0.000 0.442 141 G N -0.201 108.637 108.800 0.063 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 1.561 176.392 174.900 -0.114 0.000 1.176 141 G CA 0.853 45.984 45.100 0.052 0.000 0.786 141 G HN 0.391 nan 8.290 nan 0.000 0.533 142 L N 1.226 122.405 121.223 -0.074 0.000 1.978 142 L HA -0.180 4.160 4.340 0.000 0.000 0.218 142 L C 3.313 180.205 176.870 0.037 0.000 1.075 142 L CA 2.091 56.865 54.840 -0.109 0.000 0.767 142 L CB -1.230 40.548 42.059 -0.468 0.000 0.890 142 L HN 0.451 nan 8.230 nan 0.000 0.434 143 T N -2.815 111.788 114.554 0.082 0.000 3.025 143 T HA -0.207 4.143 4.350 0.000 0.000 0.270 143 T C 1.866 176.549 174.700 -0.028 0.000 1.126 143 T CA 1.018 63.194 62.100 0.126 0.000 1.105 143 T CB -0.204 68.720 68.868 0.092 0.000 0.884 143 T HN 0.314 nan 8.240 nan 0.000 0.522 144 R N -0.679 119.702 120.500 -0.199 0.000 2.075 144 R HA 0.107 4.447 4.340 0.000 0.000 0.220 144 R C 1.314 177.320 176.300 -0.489 0.000 1.118 144 R CA 0.690 56.534 56.100 -0.426 0.000 0.986 144 R CB 0.058 29.914 30.300 -0.741 0.000 0.884 144 R HN 0.498 nan 8.270 nan 0.000 0.439 145 Y N -1.437 118.727 120.300 -0.227 0.000 2.449 145 Y HA 0.294 4.844 4.550 0.000 0.000 0.254 145 Y C -0.152 175.393 175.900 -0.591 0.000 1.140 145 Y CA -0.319 57.519 58.100 -0.436 0.000 1.272 145 Y CB 0.426 38.484 38.460 -0.669 0.000 1.114 145 Y HN -0.124 nan 8.280 nan 0.000 0.525 146 F N 0.143 120.094 119.950 0.002 0.000 2.575 146 F HA 0.564 5.091 4.527 0.000 0.000 0.330 146 F C -2.319 173.549 175.800 0.114 0.000 1.056 146 F CA -3.285 54.734 58.000 0.032 0.000 0.964 146 F CB 0.690 39.610 39.000 -0.132 0.000 1.258 146 F HN -0.325 nan 8.300 nan 0.000 0.484 147 P HA 0.195 nan 4.420 nan 0.000 0.271 147 P C -0.715 176.689 177.300 0.173 0.000 1.220 147 P CA -0.070 63.170 63.100 0.234 0.000 0.768 147 P CB 0.557 32.385 31.700 0.213 0.000 0.848 148 T N -1.119 113.487 114.554 0.087 0.000 2.907 148 T HA 0.586 4.936 4.350 0.000 0.000 0.290 148 T C 0.375 175.054 174.700 -0.035 0.000 1.066 148 T CA -0.740 61.339 62.100 -0.036 0.000 1.012 148 T CB 0.814 69.681 68.868 -0.001 0.000 1.184 148 T HN 0.408 nan 8.240 nan 0.000 0.522 169 S N 2.498 118.208 115.700 0.017 0.000 2.572 169 S HA 0.228 4.698 4.470 0.000 0.000 0.279 169 S C -2.368 172.240 174.600 0.013 0.000 1.341 169 S CA -0.837 57.354 58.200 -0.015 0.000 1.043 169 S CB 0.770 63.928 63.200 -0.070 0.000 0.887 169 S HN 0.143 nan 8.310 nan 0.000 0.516 170 P HA 0.080 nan 4.420 nan 0.000 0.268 170 P C 0.522 177.805 177.300 -0.028 0.000 1.204 170 P CA -0.283 62.793 63.100 -0.041 0.000 0.768 170 P CB 0.451 32.111 31.700 -0.066 0.000 0.842 171 L N 3.166 124.292 121.223 -0.162 0.000 2.270 171 L HA 0.074 4.414 4.340 0.000 0.000 0.210 171 L C 0.662 177.180 176.870 -0.586 0.000 1.104 171 L CA 1.534 56.152 54.840 -0.371 0.000 0.804 171 L CB -0.292 41.439 42.059 -0.548 0.000 0.937 171 L HN 0.450 nan 8.230 nan 0.000 0.450 172 S N -3.619 111.834 115.700 -0.412 0.000 2.740 172 S HA 0.354 4.824 4.470 0.000 0.000 0.300 172 S C 0.792 175.178 174.600 -0.357 0.000 1.147 172 S CA -0.621 57.390 58.200 -0.316 0.000 0.871 172 S CB 0.420 63.582 63.200 -0.064 0.000 1.173 172 S HN 0.207 nan 8.310 nan 0.000 0.510 173 H N -0.309 118.619 119.070 -0.237 0.000 2.363 173 H HA 0.244 4.800 4.556 0.000 0.000 0.301 173 H C -0.375 174.539 175.328 -0.691 0.000 1.074 173 H CA 1.208 56.922 56.048 -0.557 0.000 1.354 173 H CB -0.073 29.146 29.762 -0.905 0.000 1.397 173 H HN 0.472 nan 8.280 nan 0.000 0.516 174 F N 1.286 121.268 119.950 0.054 0.000 2.546 174 F HA 0.233 4.760 4.527 0.000 0.000 0.320 174 F C 0.122 175.851 175.800 -0.119 0.000 1.076 174 F CA -1.477 56.501 58.000 -0.037 0.000 0.928 174 F CB 1.361 40.320 39.000 -0.069 0.000 1.189 174 F HN -0.009 nan 8.300 nan 0.000 0.465 175 D N 0.483 120.908 120.400 0.040 0.000 2.440 175 D HA 0.541 5.181 4.640 0.000 0.000 0.258 175 D C 0.971 177.144 176.300 -0.211 0.000 1.092 175 D CA -0.535 53.394 54.000 -0.118 0.000 1.016 175 D CB 0.892 41.595 40.800 -0.162 0.000 1.141 175 D HN 0.576 nan 8.370 nan 0.000 0.552 176 A N 0.361 122.954 122.820 -0.378 0.000 1.915 176 A HA -0.294 4.026 4.320 0.000 0.000 0.220 176 A C 2.122 179.401 177.584 -0.507 0.000 1.198 176 A CA 1.624 53.285 52.037 -0.626 0.000 0.647 176 A CB -0.660 17.556 19.000 -1.306 0.000 0.825 176 A HN 0.533 nan 8.150 nan 0.000 0.456 177 R N -1.074 119.206 120.500 -0.368 0.000 2.070 177 R HA -0.148 4.192 4.340 0.000 0.000 0.233 177 R C 2.328 178.604 176.300 -0.040 0.000 1.137 177 R CA 1.698 57.744 56.100 -0.090 0.000 0.945 177 R CB -0.751 29.523 30.300 -0.044 0.000 0.845 177 R HN 0.535 nan 8.270 nan 0.000 0.430 178 R N 1.272 121.742 120.500 -0.049 0.000 2.091 178 R HA -0.081 4.259 4.340 0.000 0.000 0.238 178 R C 2.115 178.413 176.300 -0.004 0.000 1.136 178 R CA 1.478 57.593 56.100 0.025 0.000 0.959 178 R CB -0.877 29.467 30.300 0.073 0.000 0.856 178 R HN 0.090 nan 8.270 nan 0.000 0.437 179 V N 0.994 120.840 119.914 -0.113 0.000 2.307 179 V HA -0.186 3.934 4.120 0.000 0.000 0.245 179 V C 1.791 177.774 176.094 -0.185 0.000 1.045 179 V CA 2.159 64.357 62.300 -0.171 0.000 1.024 179 V CB -0.564 31.133 31.823 -0.211 0.000 0.651 179 V HN 0.305 nan 8.190 nan 0.000 0.449 180 D N -0.359 119.891 120.400 -0.250 0.000 2.144 180 D HA -0.182 4.458 4.640 0.000 0.000 0.199 180 D C 1.894 177.804 176.300 -0.650 0.000 0.984 180 D CA 1.280 54.980 54.000 -0.500 0.000 0.834 180 D CB -0.265 40.093 40.800 -0.737 0.000 0.955 180 D HN 0.451 nan 8.370 nan 0.000 0.465 181 F N 1.672 121.314 119.950 -0.514 0.000 2.095 181 F HA -0.215 4.312 4.527 0.000 0.000 0.298 181 F C 2.364 178.052 175.800 -0.188 0.000 1.104 181 F CA 1.476 59.350 58.000 -0.210 0.000 1.232 181 F CB -0.330 38.658 39.000 -0.019 0.000 0.987 181 F HN -0.177 nan 8.300 nan 0.000 0.475 182 S N 0.804 116.319 115.700 -0.308 0.000 2.406 182 S HA -0.042 4.428 4.470 0.000 0.000 0.228 182 S C 2.103 176.440 174.600 -0.437 0.000 1.020 182 S CA 1.073 59.026 58.200 -0.411 0.000 0.965 182 S CB -0.414 62.725 63.200 -0.101 0.000 0.798 182 S HN 0.375 nan 8.310 nan 0.000 0.488 183 L N 1.227 122.253 121.223 -0.329 0.000 2.017 183 L HA -0.152 4.188 4.340 0.000 0.000 0.208 183 L C 2.840 179.540 176.870 -0.285 0.000 1.073 183 L CA 1.319 55.987 54.840 -0.286 0.000 0.745 183 L CB -0.784 41.150 42.059 -0.207 0.000 0.894 183 L HN 0.315 nan 8.230 nan 0.000 0.432 184 A N 0.019 122.670 122.820 -0.282 0.000 1.883 184 A HA -0.270 4.050 4.320 0.000 0.000 0.217 184 A C 2.348 179.756 177.584 -0.294 0.000 1.186 184 A CA 1.973 53.889 52.037 -0.202 0.000 0.624 184 A CB -0.520 18.437 19.000 -0.071 0.000 0.822 184 A HN 0.237 nan 8.150 nan 0.000 0.444 185 R N -0.555 119.641 120.500 -0.507 0.000 2.096 185 R HA 0.036 4.376 4.340 0.000 0.000 0.235 185 R C 2.060 178.112 176.300 -0.413 0.000 1.127 185 R CA 1.105 56.821 56.100 -0.640 0.000 0.968 185 R CB -0.661 28.909 30.300 -1.217 0.000 0.861 185 R HN 0.589 nan 8.270 nan 0.000 0.440 186 L N -0.132 120.885 121.223 -0.344 0.000 2.012 186 L HA -0.229 4.111 4.340 0.000 0.000 0.210 186 L C 2.594 179.433 176.870 -0.051 0.000 1.073 186 L CA 1.694 56.444 54.840 -0.150 0.000 0.748 186 L CB -0.308 41.564 42.059 -0.310 0.000 0.891 186 L HN 0.237 nan 8.230 nan 0.000 0.431 187 R N -1.038 119.405 120.500 -0.094 0.000 2.081 187 R HA -0.265 4.075 4.340 0.000 0.000 0.235 187 R C 2.398 178.678 176.300 -0.035 0.000 1.131 187 R CA 1.895 57.969 56.100 -0.042 0.000 0.960 187 R CB -0.325 29.939 30.300 -0.059 0.000 0.856 187 R HN 0.413 nan 8.270 nan 0.000 0.436 188 H N -0.617 118.341 119.070 -0.188 0.000 2.319 188 H HA -0.179 4.377 4.556 0.000 0.000 0.299 188 H C 1.322 176.574 175.328 -0.126 0.000 1.092 188 H CA 2.363 58.279 56.048 -0.220 0.000 1.302 188 H CB -0.345 29.138 29.762 -0.464 0.000 1.373 188 H HN 0.273 nan 8.280 nan 0.000 0.497 189 Y N -0.716 119.478 120.300 -0.177 0.000 2.337 189 Y HA -0.005 4.545 4.550 0.000 0.000 0.293 189 Y C 2.766 178.603 175.900 -0.104 0.000 1.123 189 Y CA 1.441 59.430 58.100 -0.185 0.000 1.201 189 Y CB -0.386 38.042 38.460 -0.052 0.000 1.011 189 Y HN 0.262 nan 8.280 nan 0.000 0.545 190 T N -1.895 112.680 114.554 0.035 0.000 3.031 190 T HA 0.178 4.528 4.350 0.000 0.000 0.254 190 T C 1.462 175.876 174.700 -0.476 0.000 1.060 190 T CA 0.921 62.962 62.100 -0.099 0.000 1.135 190 T CB -0.460 68.499 68.868 0.151 0.000 0.896 190 T HN 0.470 nan 8.240 nan 0.000 0.472 191 G N 1.973 110.400 108.800 -0.621 0.000 2.246 191 G HA2 -0.203 3.757 3.960 0.000 0.000 0.273 191 G HA3 -0.203 3.757 3.960 0.000 0.000 0.273 191 G C 0.122 174.713 174.900 -0.515 0.000 1.055 191 G CA 0.419 44.846 45.100 -1.122 0.000 0.851 191 G HN 0.552 nan 8.290 nan 0.000 0.500 192 T N -0.019 114.399 114.554 -0.228 0.000 2.982 192 T HA 0.547 4.897 4.350 0.000 0.000 0.321 192 T C -2.965 171.751 174.700 0.026 0.000 1.229 192 T CA -0.776 61.285 62.100 -0.064 0.000 1.044 192 T CB 2.957 71.826 68.868 0.002 0.000 1.184 192 T HN 0.002 nan 8.240 nan 0.000 0.477 193 P HA 0.134 nan 4.420 nan 0.000 0.276 193 P C 1.288 178.537 177.300 -0.083 0.000 1.230 193 P CA -0.515 62.479 63.100 -0.178 0.000 0.776 193 P CB 0.547 31.972 31.700 -0.457 0.000 0.888 194 V N 1.112 120.992 119.914 -0.056 0.000 2.720 194 V HA -0.230 3.890 4.120 0.000 0.000 0.256 194 V C 1.271 177.336 176.094 -0.048 0.000 1.082 194 V CA 1.638 63.924 62.300 -0.024 0.000 1.101 194 V CB -1.413 30.265 31.823 -0.242 0.000 0.693 194 V HN 0.333 nan 8.190 nan 0.000 0.479 195 E N 0.265 120.357 120.200 -0.181 0.000 2.338 195 E HA -0.106 4.244 4.350 0.000 0.000 0.197 195 E C 1.836 178.427 176.600 -0.014 0.000 1.007 195 E CA 1.547 57.855 56.400 -0.153 0.000 0.849 195 E CB -0.676 28.918 29.700 -0.177 0.000 0.774 195 E HN 0.889 nan 8.360 nan 0.000 0.506 196 H N -1.431 117.604 119.070 -0.058 0.000 2.563 196 H HA 0.152 4.708 4.556 0.000 0.000 0.264 196 H C -0.160 174.884 175.328 -0.473 0.000 0.957 196 H CA -0.765 55.188 56.048 -0.158 0.000 1.173 196 H CB 0.160 29.872 29.762 -0.085 0.000 1.420 196 H HN 0.059 nan 8.280 nan 0.000 0.551 197 F N 2.641 122.299 119.950 -0.486 0.000 2.578 197 F HA -0.046 4.481 4.527 0.000 0.000 0.376 197 F C 0.745 176.479 175.800 -0.109 0.000 1.085 197 F CA 0.012 57.764 58.000 -0.412 0.000 1.260 197 F CB 0.568 39.427 39.000 -0.234 0.000 1.095 197 F HN 0.139 nan 8.300 nan 0.000 0.573 198 Q N 5.082 124.971 119.800 0.148 0.000 2.215 198 Q HA 0.249 4.589 4.340 0.000 0.000 0.256 198 Q C -1.674 174.411 176.000 0.141 0.000 0.972 198 Q CA -2.029 53.884 55.803 0.182 0.000 0.889 198 Q CB 0.883 29.785 28.738 0.273 0.000 1.281 198 Q HN 0.285 nan 8.270 nan 0.000 0.456 199 P HA -0.058 nan 4.420 nan 0.000 0.222 199 P C -0.487 176.545 177.300 -0.447 0.000 1.147 199 P CA 1.124 64.077 63.100 -0.245 0.000 0.790 199 P CB 0.195 31.643 31.700 -0.420 0.000 0.780 200 F N -0.678 119.347 119.950 0.126 0.000 2.361 200 F HA 0.279 4.806 4.527 0.000 0.000 0.364 200 F C 0.252 176.101 175.800 0.082 0.000 1.117 200 F CA -1.044 57.022 58.000 0.109 0.000 1.071 200 F CB 0.853 39.924 39.000 0.118 0.000 1.188 200 F HN -0.412 nan 8.300 nan 0.000 0.464 201 V N 4.864 124.864 119.914 0.143 0.000 2.547 201 V HA 0.485 4.605 4.120 0.000 0.000 0.299 201 V C -0.556 175.441 176.094 -0.162 0.000 1.040 201 V CA -0.763 61.516 62.300 -0.034 0.000 0.913 201 V CB 1.948 33.703 31.823 -0.113 0.000 0.992 201 V HN 0.412 nan 8.190 nan 0.000 0.449 202 L N 4.423 125.465 121.223 -0.302 0.000 2.362 202 L HA 0.643 4.983 4.340 0.000 0.000 0.275 202 L C -0.940 175.701 176.870 -0.383 0.000 0.998 202 L CA -0.069 54.599 54.840 -0.286 0.000 0.820 202 L CB 1.549 43.461 42.059 -0.245 0.000 1.270 202 L HN 0.423 nan 8.230 nan 0.000 0.415 203 F N 1.323 121.206 119.950 -0.112 0.000 2.458 203 F HA 0.736 5.263 4.527 0.000 0.000 0.336 203 F C 0.494 176.177 175.800 -0.196 0.000 1.114 203 F CA -0.686 57.227 58.000 -0.146 0.000 0.987 203 F CB 2.134 41.038 39.000 -0.160 0.000 1.130 203 F HN 0.451 nan 8.300 nan 0.000 0.458 204 T N -0.972 113.590 114.554 0.013 0.000 2.900 204 T HA 0.383 4.733 4.350 0.000 0.000 0.295 204 T C -0.133 174.537 174.700 -0.050 0.000 1.044 204 T CA -0.946 61.057 62.100 -0.162 0.000 0.995 204 T CB 1.782 70.450 68.868 -0.334 0.000 1.072 204 T HN 0.490 nan 8.240 nan 0.000 0.473 205 N N 0.147 118.802 118.700 -0.074 0.000 2.234 205 N HA 0.135 4.875 4.740 0.000 0.000 0.227 205 N C -1.018 174.559 175.510 0.112 0.000 1.151 205 N CA -0.481 52.581 53.050 0.021 0.000 0.865 205 N CB -0.020 38.474 38.487 0.011 0.000 1.066 205 N HN 0.658 nan 8.380 nan 0.000 0.515 206 Y N 0.244 120.494 120.300 -0.085 0.000 2.331 206 Y HA 0.360 4.910 4.550 0.000 0.000 0.326 206 Y C 1.211 177.178 175.900 0.111 0.000 1.020 206 Y CA -1.075 57.019 58.100 -0.011 0.000 1.136 206 Y CB 1.485 39.873 38.460 -0.121 0.000 1.157 206 Y HN -0.098 nan 8.280 nan 0.000 0.444 207 T N 4.187 118.581 114.554 -0.267 0.000 2.649 207 T HA -0.205 4.145 4.350 0.000 0.000 0.268 207 T C 1.972 176.427 174.700 -0.408 0.000 1.036 207 T CA 2.039 63.930 62.100 -0.349 0.000 1.157 207 T CB -0.008 68.523 68.868 -0.563 0.000 0.861 207 T HN 0.616 nan 8.240 nan 0.000 0.445 208 R N -0.436 119.618 120.500 -0.743 0.000 2.211 208 R HA -0.103 4.237 4.340 0.000 0.000 0.240 208 R C 2.065 178.187 176.300 -0.298 0.000 1.144 208 R CA 1.151 56.938 56.100 -0.520 0.000 0.992 208 R CB -0.413 29.530 30.300 -0.595 0.000 0.869 208 R HN 0.568 nan 8.270 nan 0.000 0.462 209 Y N -0.426 119.751 120.300 -0.206 0.000 2.293 209 Y HA -0.204 4.346 4.550 0.000 0.000 0.291 209 Y C 2.427 178.267 175.900 -0.099 0.000 1.137 209 Y CA 1.296 59.341 58.100 -0.093 0.000 1.202 209 Y CB -0.212 38.205 38.460 -0.072 0.000 0.990 209 Y HN -0.063 nan 8.280 nan 0.000 0.537 210 V N -1.771 118.132 119.914 -0.019 0.000 2.488 210 V HA -0.163 3.957 4.120 0.000 0.000 0.246 210 V C 1.727 177.697 176.094 -0.206 0.000 1.046 210 V CA 2.024 64.206 62.300 -0.197 0.000 1.053 210 V CB -0.353 31.154 31.823 -0.527 0.000 0.679 210 V HN 0.206 nan 8.190 nan 0.000 0.458 211 D N 0.624 120.925 120.400 -0.165 0.000 2.092 211 D HA -0.220 4.420 4.640 0.000 0.000 0.193 211 D C 2.133 178.380 176.300 -0.088 0.000 0.994 211 D CA 2.196 56.113 54.000 -0.138 0.000 0.828 211 D CB -0.181 40.535 40.800 -0.140 0.000 0.963 211 D HN 0.649 nan 8.370 nan 0.000 0.450 212 E N 0.145 120.305 120.200 -0.066 0.000 2.110 212 E HA -0.162 4.188 4.350 0.000 0.000 0.193 212 E C 1.907 178.542 176.600 0.059 0.000 0.988 212 E CA 0.599 56.986 56.400 -0.021 0.000 0.804 212 E CB -0.498 29.166 29.700 -0.059 0.000 0.745 212 E HN 0.229 nan 8.360 nan 0.000 0.458 213 F N -0.093 119.811 119.950 -0.078 0.000 2.102 213 F HA -0.145 4.382 4.527 0.000 0.000 0.298 213 F C 2.031 177.839 175.800 0.013 0.000 1.105 213 F CA 1.349 59.334 58.000 -0.026 0.000 1.239 213 F CB -0.484 38.464 39.000 -0.087 0.000 0.991 213 F HN -0.060 nan 8.300 nan 0.000 0.474 214 V N 1.141 120.988 119.914 -0.112 0.000 2.343 214 V HA -0.285 3.835 4.120 0.000 0.000 0.247 214 V C 2.643 178.634 176.094 -0.172 0.000 1.051 214 V CA 2.197 64.373 62.300 -0.207 0.000 1.036 214 V CB -0.782 30.921 31.823 -0.201 0.000 0.654 214 V HN 0.314 nan 8.190 nan 0.000 0.451 215 R N -1.149 119.293 120.500 -0.096 0.000 2.082 215 R HA -0.265 4.075 4.340 0.000 0.000 0.234 215 R C 2.228 178.486 176.300 -0.069 0.000 1.136 215 R CA 2.546 58.606 56.100 -0.067 0.000 0.935 215 R CB -0.547 29.738 30.300 -0.025 0.000 0.842 215 R HN 0.620 nan 8.270 nan 0.000 0.430 216 W N 0.981 122.150 121.300 -0.218 0.000 2.342 216 W HA -0.104 4.556 4.660 0.000 0.000 0.297 216 W C 1.809 178.133 176.519 -0.324 0.000 1.213 216 W CA 2.017 59.224 57.345 -0.232 0.000 1.251 216 W CB -0.661 28.668 29.460 -0.219 0.000 1.136 216 W HN 0.262 nan 8.180 nan 0.000 0.526 217 G N -0.187 108.371 108.800 -0.405 0.000 2.414 217 G HA2 -0.317 3.643 3.960 0.000 0.000 0.215 217 G HA3 -0.317 3.643 3.960 0.000 0.000 0.215 217 G C 1.398 175.992 174.900 -0.509 0.000 1.188 217 G CA 1.480 46.185 45.100 -0.658 0.000 0.783 217 G HN 0.362 nan 8.290 nan 0.000 0.537 218 C N 0.409 119.506 119.300 -0.337 0.000 2.413 218 C HA -0.054 4.406 4.460 0.000 0.000 0.276 218 C C 3.372 178.206 174.990 -0.260 0.000 1.248 218 C CA 1.385 60.252 59.018 -0.251 0.000 1.742 218 C CB -0.899 26.739 27.740 -0.171 0.000 2.017 218 C HN 0.503 nan 8.230 nan 0.000 0.481 219 S N -0.138 115.391 115.700 -0.286 0.000 2.370 219 S HA -0.221 4.249 4.470 0.000 0.000 0.226 219 S C 1.985 176.390 174.600 -0.326 0.000 1.033 219 S CA 1.618 59.657 58.200 -0.268 0.000 1.011 219 S CB -0.300 62.747 63.200 -0.255 0.000 0.852 219 S HN 0.636 nan 8.310 nan 0.000 0.457 220 Q N 0.365 119.860 119.800 -0.508 0.000 2.167 220 Q HA 0.064 4.404 4.340 0.000 0.000 0.202 220 Q C 2.246 178.098 176.000 -0.247 0.000 0.970 220 Q CA 1.034 56.566 55.803 -0.451 0.000 0.855 220 Q CB -0.395 27.907 28.738 -0.728 0.000 0.911 220 Q HN 0.643 nan 8.270 nan 0.000 0.438 221 I N 0.202 120.624 120.570 -0.246 0.000 2.394 221 I HA -0.243 3.927 4.170 0.000 0.000 0.251 221 I C 1.600 177.636 176.117 -0.134 0.000 1.136 221 I CA 0.537 61.737 61.300 -0.166 0.000 1.425 221 I CB -0.091 37.797 38.000 -0.188 0.000 1.079 221 I HN 0.133 nan 8.210 nan 0.000 0.425 222 L N -0.001 121.137 121.223 -0.141 0.000 2.291 222 L HA -0.035 4.305 4.340 0.000 0.000 0.214 222 L C 0.913 177.727 176.870 -0.094 0.000 1.120 222 L CA 1.164 55.940 54.840 -0.107 0.000 0.799 222 L CB -0.925 41.072 42.059 -0.104 0.000 0.925 222 L HN 0.131 nan 8.230 nan 0.000 0.446 223 D N -0.313 120.022 120.400 -0.108 0.000 2.316 223 D HA 0.109 4.749 4.640 0.000 0.000 0.245 223 D C -1.767 174.487 176.300 -0.077 0.000 1.171 223 D CA -2.133 51.814 54.000 -0.089 0.000 0.856 223 D CB 1.731 42.472 40.800 -0.099 0.000 1.090 223 D HN -0.040 nan 8.370 nan 0.000 0.476 224 P HA -0.035 nan 4.420 nan 0.000 0.225 224 P C 0.277 177.544 177.300 -0.055 0.000 1.148 224 P CA 0.708 63.776 63.100 -0.053 0.000 0.779 224 P CB 0.378 32.053 31.700 -0.042 0.000 0.780 225 D N -1.757 118.609 120.400 -0.056 0.000 2.354 225 D HA 0.026 4.666 4.640 0.000 0.000 0.209 225 D C 0.625 176.881 176.300 -0.073 0.000 1.015 225 D CA 0.570 54.537 54.000 -0.055 0.000 0.867 225 D CB 0.032 40.806 40.800 -0.042 0.000 0.933 225 D HN 0.095 nan 8.370 nan 0.000 0.520 226 S N 1.087 116.736 115.700 -0.086 0.000 2.537 226 S HA 0.223 4.693 4.470 0.000 0.000 0.275 226 S C -1.766 172.730 174.600 -0.174 0.000 1.272 226 S CA -1.368 56.763 58.200 -0.116 0.000 1.050 226 S CB 1.743 64.897 63.200 -0.076 0.000 0.961 226 S HN -0.231 nan 8.310 nan 0.000 0.496 227 P HA 0.027 nan 4.420 nan 0.000 0.226 227 P C -0.775 176.319 177.300 -0.344 0.000 1.153 227 P CA 0.655 63.548 63.100 -0.344 0.000 0.777 227 P CB -0.047 31.388 31.700 -0.441 0.000 0.794 228 Y N 0.643 120.880 120.300 -0.105 0.000 2.531 228 Y HA 0.094 4.644 4.550 0.000 0.000 0.347 228 Y C 1.791 177.599 175.900 -0.153 0.000 1.024 228 Y CA -0.285 57.734 58.100 -0.135 0.000 1.306 228 Y CB -0.437 37.895 38.460 -0.213 0.000 1.149 228 Y HN -0.005 nan 8.280 nan 0.000 0.527 229 I N -0.554 120.013 120.570 -0.007 0.000 4.181 229 I HA 0.680 4.850 4.170 0.000 0.000 0.331 229 I C 0.518 176.539 176.117 -0.160 0.000 1.312 229 I CA -0.074 61.186 61.300 -0.067 0.000 1.146 229 I CB 0.502 38.481 38.000 -0.036 0.000 1.074 229 I HN 0.423 nan 8.210 nan 0.000 0.402 230 A N 1.400 124.081 122.820 -0.233 0.000 2.594 230 A HA 0.802 5.122 4.320 0.000 0.000 0.291 230 A C -1.846 175.432 177.584 -0.510 0.000 1.105 230 A CA -0.500 51.208 52.037 -0.549 0.000 0.694 230 A CB 2.005 20.462 19.000 -0.904 0.000 1.291 230 A HN 0.241 nan 8.150 nan 0.000 0.410 231 L N 0.888 121.710 121.223 -0.667 0.000 2.518 231 L HA 0.584 4.924 4.340 0.000 0.000 0.262 231 L C -0.204 176.465 176.870 -0.336 0.000 0.982 231 L CA 0.132 54.751 54.840 -0.367 0.000 0.873 231 L CB 1.533 43.452 42.059 -0.233 0.000 1.198 231 L HN 0.682 nan 8.230 nan 0.000 0.427 232 S N 3.866 119.450 115.700 -0.194 0.000 2.505 232 S HA 0.520 4.990 4.470 0.000 0.000 0.276 232 S C -0.226 174.369 174.600 -0.008 0.000 1.274 232 S CA -0.298 57.926 58.200 0.041 0.000 1.053 232 S CB -0.051 63.323 63.200 0.290 0.000 0.919 232 S HN 0.769 nan 8.310 nan 0.000 0.490 233 C N 4.064 123.342 119.300 -0.036 0.000 2.435 233 C HA 0.794 5.254 4.460 0.000 0.000 0.333 233 C C 0.838 175.550 174.990 -0.463 0.000 1.202 233 C CA -1.122 57.742 59.018 -0.256 0.000 1.830 233 C CB 0.558 28.330 27.740 0.052 0.000 2.326 233 C HN 1.015 nan 8.230 nan 0.000 0.507 234 A N 1.774 123.992 122.820 -1.003 0.000 2.522 234 A HA 0.482 4.802 4.320 0.000 0.000 0.256 234 A C 1.309 178.618 177.584 -0.458 0.000 1.086 234 A CA 0.993 52.500 52.037 -0.884 0.000 0.763 234 A CB -0.729 17.479 19.000 -1.320 0.000 1.024 234 A HN 2.160 nan 8.150 nan 0.000 0.502 235 G N 1.123 109.715 108.800 -0.346 0.000 2.391 235 G HA2 0.221 4.181 3.960 0.000 0.000 0.204 235 G HA3 0.221 4.181 3.960 0.000 0.000 0.204 235 G C 1.329 176.204 174.900 -0.042 0.000 1.012 235 G CA 0.902 45.941 45.100 -0.101 0.000 0.651 235 G HN 2.571 nan 8.290 nan 0.000 0.494 236 G N -0.147 108.626 108.800 -0.045 0.000 3.345 236 G HA2 -0.091 3.869 3.960 0.000 0.000 0.199 236 G HA3 -0.091 3.869 3.960 0.000 0.000 0.199 236 G C 0.046 175.003 174.900 0.096 0.000 1.057 236 G CA 0.543 45.660 45.100 0.029 0.000 0.865 236 G HN 1.026 nan 8.290 nan 0.000 0.449 237 N N 0.739 119.490 118.700 0.085 0.000 2.219 237 N HA 0.222 4.962 4.740 0.000 0.000 0.263 237 N C -0.436 175.198 175.510 0.208 0.000 1.269 237 N CA 0.707 53.833 53.050 0.128 0.000 0.831 237 N CB 0.184 38.728 38.487 0.096 0.000 1.059 237 N HN 0.417 nan 8.380 nan 0.000 0.475 238 W N 6.069 127.369 121.300 -0.001 0.000 2.483 238 W HA 0.370 5.030 4.660 0.000 0.000 0.291 238 W C -1.531 174.976 176.519 -0.021 0.000 0.997 238 W CA -0.716 56.615 57.345 -0.023 0.000 1.591 238 W CB 0.226 29.671 29.460 -0.024 0.000 1.434 238 W HN 0.288 nan 8.180 nan 0.000 0.420 239 I N 3.984 124.401 120.570 -0.254 0.000 2.529 239 I HA 0.282 4.452 4.170 0.000 0.000 0.284 239 I C 0.853 176.717 176.117 -0.422 0.000 1.082 239 I CA 0.819 61.974 61.300 -0.241 0.000 1.406 239 I CB 1.567 39.469 38.000 -0.163 0.000 1.405 239 I HN 0.260 nan 8.210 nan 0.000 0.548 240 T N 3.208 117.616 114.554 -0.243 0.000 2.754 240 T HA 0.648 4.998 4.350 0.000 0.000 0.296 240 T C 0.847 175.479 174.700 -0.115 0.000 1.205 240 T CA 0.032 62.007 62.100 -0.209 0.000 1.009 240 T CB 1.164 69.967 68.868 -0.108 0.000 1.368 240 T HN 0.522 nan 8.240 nan 0.000 0.509 241 A N 0.568 123.335 122.820 -0.087 0.000 2.019 241 A HA 0.076 4.396 4.320 0.000 0.000 0.219 241 A C 1.193 178.755 177.584 -0.038 0.000 1.164 241 A CA 1.164 53.163 52.037 -0.065 0.000 0.644 241 A CB -0.342 18.625 19.000 -0.054 0.000 0.805 241 A HN 0.746 nan 8.150 nan 0.000 0.449 242 E N 1.059 121.248 120.200 -0.017 0.000 2.320 242 E HA 0.127 4.477 4.350 0.000 0.000 0.234 242 E C -0.630 175.975 176.600 0.008 0.000 1.290 242 E CA 0.044 56.445 56.400 0.001 0.000 1.545 242 E CB -0.556 29.156 29.700 0.020 0.000 1.379 242 E HN 0.282 nan 8.360 nan 0.000 0.437 243 T N 1.767 116.317 114.554 -0.008 0.000 2.867 243 T HA 0.172 4.522 4.350 0.000 0.000 0.282 243 T C 0.183 174.882 174.700 -0.001 0.000 1.000 243 T CA -0.684 61.416 62.100 0.001 0.000 1.042 243 T CB 1.522 70.380 68.868 -0.017 0.000 0.973 243 T HN -0.020 nan 8.240 nan 0.000 0.465 244 E N 2.340 122.545 120.200 0.010 0.000 1.944 244 E HA 0.397 4.747 4.350 0.000 0.000 0.272 244 E C 0.332 176.935 176.600 0.005 0.000 1.195 244 E CA -0.156 56.248 56.400 0.007 0.000 0.926 244 E CB 0.057 29.766 29.700 0.014 0.000 1.051 244 E HN 0.948 nan 8.360 nan 0.000 0.404 245 A N 5.103 127.921 122.820 -0.004 0.000 1.848 245 A HA -0.109 4.211 4.320 0.000 0.000 0.241 245 A C -1.913 175.667 177.584 -0.006 0.000 1.341 245 A CA -0.415 51.618 52.037 -0.006 0.000 0.706 245 A CB -1.040 17.960 19.000 0.001 0.000 1.189 245 A HN 0.387 nan 8.150 nan 0.000 0.259 246 P HA 0.047 nan 4.420 nan 0.000 0.299 246 P C 0.877 178.168 177.300 -0.015 0.000 1.515 246 P CA 0.628 63.713 63.100 -0.025 0.000 0.770 246 P CB 0.248 31.916 31.700 -0.052 0.000 1.614 247 E N -0.449 119.750 120.200 -0.001 0.000 2.318 247 E HA -0.104 4.246 4.350 0.000 0.000 0.193 247 E C 1.395 178.012 176.600 0.027 0.000 0.998 247 E CA 0.511 56.916 56.400 0.007 0.000 0.859 247 E CB -0.091 29.613 29.700 0.008 0.000 0.812 247 E HN 0.299 nan 8.360 nan 0.000 0.492 248 E N 1.311 121.530 120.200 0.033 0.000 2.516 248 E HA 0.011 4.362 4.350 0.000 0.000 0.199 248 E C 1.467 178.112 176.600 0.076 0.000 1.069 248 E CA 0.550 56.981 56.400 0.053 0.000 0.876 248 E CB -0.236 29.494 29.700 0.049 0.000 0.843 248 E HN 0.247 nan 8.360 nan 0.000 0.530 249 A N 0.624 123.484 122.820 0.067 0.000 1.849 249 A HA -0.178 4.142 4.320 0.000 0.000 0.216 249 A C 1.074 178.776 177.584 0.197 0.000 1.225 249 A CA 1.196 53.294 52.037 0.102 0.000 0.653 249 A CB -0.593 18.436 19.000 0.047 0.000 0.844 249 A HN 0.301 nan 8.150 nan 0.000 0.453 250 I N 1.069 121.745 120.570 0.177 0.000 2.329 250 I HA 0.101 4.271 4.170 0.000 0.000 0.295 250 I C 0.376 176.647 176.117 0.257 0.000 1.109 250 I CA -0.037 61.425 61.300 0.271 0.000 1.297 250 I CB 0.668 38.788 38.000 0.201 0.000 1.433 250 I HN 0.237 nan 8.210 nan 0.000 0.509 251 S N 4.695 120.547 115.700 0.253 0.000 2.448 251 S HA 0.066 4.536 4.470 0.000 0.000 0.279 251 S C 1.048 175.809 174.600 0.268 0.000 1.195 251 S CA -0.713 57.604 58.200 0.194 0.000 1.051 251 S CB 0.382 63.659 63.200 0.127 0.000 0.948 251 S HN 0.493 nan 8.310 nan 0.000 0.493 252 D N 4.159 124.720 120.400 0.268 0.000 2.182 252 D HA -0.120 4.520 4.640 0.000 0.000 0.201 252 D C 1.571 178.068 176.300 0.327 0.000 0.986 252 D CA 0.791 54.994 54.000 0.338 0.000 0.847 252 D CB -0.106 40.813 40.800 0.199 0.000 0.942 252 D HN 0.506 nan 8.370 nan 0.000 0.467 253 L N 0.322 121.669 121.223 0.206 0.000 2.549 253 L HA 0.034 4.374 4.340 0.000 0.000 0.229 253 L C 1.986 178.943 176.870 0.145 0.000 1.158 253 L CA 0.512 55.445 54.840 0.155 0.000 0.842 253 L CB -0.421 41.697 42.059 0.098 0.000 0.952 253 L HN -0.065 nan 8.230 nan 0.000 0.452 254 A N -0.978 121.927 122.820 0.141 0.000 1.877 254 A HA -0.219 4.101 4.320 0.000 0.000 0.216 254 A C 2.041 179.598 177.584 -0.046 0.000 1.186 254 A CA 1.641 53.672 52.037 -0.009 0.000 0.620 254 A CB -0.962 17.878 19.000 -0.267 0.000 0.822 254 A HN 0.637 nan 8.150 nan 0.000 0.443 255 W N 0.003 121.393 121.300 0.150 0.000 2.595 255 W HA -0.014 4.646 4.660 0.000 0.000 0.257 255 W C 2.131 178.688 176.519 0.063 0.000 1.267 255 W CA 1.320 58.736 57.345 0.117 0.000 1.300 255 W CB -0.109 29.415 29.460 0.107 0.000 1.120 255 W HN 0.498 nan 8.180 nan 0.000 0.618 256 K N 1.738 122.265 120.400 0.212 0.000 2.166 256 K HA -0.107 4.213 4.320 0.000 0.000 0.201 256 K C 1.852 178.447 176.600 -0.008 0.000 1.052 256 K CA 1.136 57.488 56.287 0.107 0.000 0.969 256 K CB 0.023 32.578 32.500 0.092 0.000 0.761 256 K HN 0.057 nan 8.250 nan 0.000 0.459 257 K N -0.845 119.490 120.400 -0.110 0.000 2.367 257 K HA 0.083 4.403 4.320 0.000 0.000 0.194 257 K C -0.486 175.684 176.600 -0.717 0.000 1.027 257 K CA 0.122 56.193 56.287 -0.361 0.000 1.075 257 K CB 0.208 32.463 32.500 -0.408 0.000 0.845 257 K HN 0.116 nan 8.250 nan 0.000 0.529 258 H N 0.874 119.888 119.070 -0.094 0.000 2.744 258 H HA 0.161 4.717 4.556 0.000 0.000 0.339 258 H C -0.891 174.392 175.328 -0.076 0.000 1.004 258 H CA -0.800 55.158 56.048 -0.149 0.000 1.257 258 H CB 1.869 31.497 29.762 -0.223 0.000 1.552 258 H HN 0.051 nan 8.280 nan 0.000 0.522 262 A N 1.275 123.648 122.820 -0.744 0.000 2.386 262 A HA 0.952 5.272 4.320 0.000 0.000 0.308 262 A C -1.678 175.280 177.584 -1.044 0.000 1.128 262 A CA -0.562 51.113 52.037 -0.605 0.000 0.789 262 A CB 1.596 20.301 19.000 -0.491 0.000 1.325 262 A HN 0.443 nan 8.150 nan 0.000 0.437 263 W N 1.095 122.011 121.300 -0.640 0.000 3.097 263 W HA 0.379 5.039 4.660 0.000 0.000 0.335 263 W C -1.187 174.996 176.519 -0.560 0.000 1.114 263 W CA -0.288 56.784 57.345 -0.455 0.000 1.231 263 W CB 1.669 31.106 29.460 -0.040 0.000 1.388 263 W HN 0.705 nan 8.180 nan 0.000 0.485 264 H N 3.943 123.087 119.070 0.122 0.000 2.505 264 H HA 0.369 4.925 4.556 0.000 0.000 0.338 264 H C -0.480 174.906 175.328 0.096 0.000 1.057 264 H CA -0.711 55.387 56.048 0.084 0.000 1.202 264 H CB 2.708 32.441 29.762 -0.048 0.000 1.466 264 H HN 0.153 nan 8.280 nan 0.000 0.499 265 L N 5.543 126.917 121.223 0.251 0.000 2.272 265 L HA 0.337 4.677 4.340 0.000 0.000 0.284 265 L C -0.114 176.878 176.870 0.203 0.000 1.045 265 L CA -0.439 54.437 54.840 0.059 0.000 0.842 265 L CB 0.071 42.021 42.059 -0.181 0.000 1.224 265 L HN 0.455 nan 8.230 nan 0.000 0.430 266 I N 2.800 123.445 120.570 0.126 0.000 2.713 266 I HA 0.357 4.527 4.170 0.000 0.000 0.300 266 I C 0.679 176.898 176.117 0.170 0.000 1.009 266 I CA -0.262 61.130 61.300 0.153 0.000 1.305 266 I CB 1.826 39.859 38.000 0.056 0.000 1.430 266 I HN 0.504 nan 8.210 nan 0.000 0.546 267 T N 0.379 115.009 114.554 0.128 0.000 2.901 267 T HA 0.579 4.929 4.350 0.000 0.000 0.293 267 T C 0.666 175.392 174.700 0.043 0.000 1.084 267 T CA -0.315 61.806 62.100 0.035 0.000 1.008 267 T CB 1.788 70.634 68.868 -0.037 0.000 1.170 267 T HN 0.604 nan 8.240 nan 0.000 0.509 268 A N 1.240 124.067 122.820 0.013 0.000 1.917 268 A HA -0.084 4.236 4.320 0.000 0.000 0.219 268 A C 1.694 179.301 177.584 0.038 0.000 1.182 268 A CA 1.965 54.019 52.037 0.028 0.000 0.633 268 A CB -1.006 17.999 19.000 0.008 0.000 0.819 268 A HN 0.965 nan 8.150 nan 0.000 0.448 269 D N -1.302 119.117 120.400 0.031 0.000 2.336 269 D HA 0.272 4.912 4.640 0.000 0.000 0.228 269 D C 0.955 177.295 176.300 0.067 0.000 1.120 269 D CA 0.510 54.535 54.000 0.042 0.000 0.839 269 D CB -1.050 39.769 40.800 0.032 0.000 0.932 269 D HN 0.760 nan 8.370 nan 0.000 0.509 270 G N 1.341 110.191 108.800 0.083 0.000 2.338 270 G HA2 -0.274 3.686 3.960 0.000 0.000 0.296 270 G HA3 -0.274 3.686 3.960 0.000 0.000 0.296 270 G C 0.224 175.215 174.900 0.152 0.000 1.040 270 G CA -0.065 45.101 45.100 0.110 0.000 1.004 270 G HN 0.346 nan 8.290 nan 0.000 0.509 271 Q N -0.678 119.233 119.800 0.186 0.000 2.129 271 Q HA 0.329 4.669 4.340 0.000 0.000 0.274 271 Q C 1.342 177.545 176.000 0.338 0.000 0.854 271 Q CA 0.324 56.307 55.803 0.300 0.000 1.123 271 Q CB 0.649 29.524 28.738 0.228 0.000 1.226 271 Q HN 0.605 nan 8.270 nan 0.000 0.454 272 G N 0.471 109.480 108.800 0.348 0.000 2.624 272 G HA2 0.582 4.542 3.960 0.000 0.000 0.217 272 G HA3 0.582 4.542 3.960 0.000 0.000 0.217 272 G C -0.076 175.121 174.900 0.494 0.000 1.506 272 G CA -0.309 45.074 45.100 0.471 0.000 1.072 272 G HN 0.204 nan 8.290 nan 0.000 0.568 273 I N -0.635 120.202 120.570 0.446 0.000 2.582 273 I HA 0.318 4.488 4.170 0.000 0.000 0.292 273 I C -0.647 175.672 176.117 0.337 0.000 1.066 273 I CA -0.427 61.108 61.300 0.392 0.000 1.053 273 I CB 2.648 40.880 38.000 0.387 0.000 1.241 273 I HN 0.229 nan 8.210 nan 0.000 0.421 274 T N 6.282 120.964 114.554 0.213 0.000 2.823 274 T HA 0.580 4.930 4.350 0.000 0.000 0.279 274 T C -0.873 173.728 174.700 -0.164 0.000 0.998 274 T CA -0.367 61.797 62.100 0.107 0.000 0.994 274 T CB 1.560 70.549 68.868 0.202 0.000 0.960 274 T HN 0.269 nan 8.240 nan 0.000 0.448 275 L N 4.957 125.967 121.223 -0.355 0.000 2.356 275 L HA 0.758 5.098 4.340 0.000 0.000 0.277 275 L C -1.324 175.424 176.870 -0.203 0.000 0.996 275 L CA -0.528 54.028 54.840 -0.474 0.000 0.822 275 L CB 1.467 42.885 42.059 -1.068 0.000 1.256 275 L HN 0.421 nan 8.230 nan 0.000 0.413 276 V N 4.731 124.587 119.914 -0.097 0.000 2.487 276 V HA 0.394 4.514 4.120 0.000 0.000 0.298 276 V C -0.050 176.142 176.094 0.163 0.000 1.028 276 V CA -0.695 61.651 62.300 0.077 0.000 0.860 276 V CB 1.594 33.539 31.823 0.204 0.000 0.991 276 V HN 0.825 nan 8.190 nan 0.000 0.427 277 N N 4.224 123.047 118.700 0.204 0.000 2.521 277 N HA 0.230 4.970 4.740 0.000 0.000 0.236 277 N C 1.249 176.863 175.510 0.173 0.000 1.067 277 N CA -0.356 52.831 53.050 0.228 0.000 0.939 277 N CB 0.722 39.455 38.487 0.410 0.000 1.201 277 N HN 0.869 nan 8.380 nan 0.000 0.511 278 I N 0.849 121.482 120.570 0.105 0.000 3.001 278 I HA 0.201 4.371 4.170 0.000 0.000 0.268 278 I C 1.074 177.197 176.117 0.010 0.000 1.267 278 I CA 0.311 61.614 61.300 0.005 0.000 1.472 278 I CB -0.518 37.387 38.000 -0.157 0.000 1.089 278 I HN 0.589 nan 8.210 nan 0.000 0.468 279 G N 1.176 110.019 108.800 0.071 0.000 2.512 279 G HA2 -0.212 3.748 3.960 0.000 0.000 0.240 279 G HA3 -0.212 3.748 3.960 0.000 0.000 0.240 279 G C -0.467 174.454 174.900 0.035 0.000 1.246 279 G CA 0.012 45.159 45.100 0.078 0.000 0.919 279 G HN 0.822 nan 8.290 nan 0.000 0.577 280 V N 0.242 120.173 119.914 0.029 0.000 2.709 280 V HA 0.948 5.068 4.120 0.000 0.000 0.308 280 V C 0.456 176.551 176.094 0.001 0.000 1.062 280 V CA 1.329 63.640 62.300 0.019 0.000 0.901 280 V CB 1.172 33.024 31.823 0.048 0.000 1.003 280 V HN 3.091 nan 8.190 nan 0.000 0.425 281 G N 5.762 114.555 108.800 -0.012 0.000 2.576 281 G HA2 -0.007 3.953 3.960 0.000 0.000 0.686 281 G HA3 -0.007 3.953 3.960 0.000 0.000 0.686 281 G C -2.762 172.104 174.900 -0.057 0.000 1.242 281 G CA -0.149 44.940 45.100 -0.018 0.000 0.819 281 G HN 0.637 nan 8.290 nan 0.000 0.655 282 P HA 0.026 nan 4.420 nan 0.000 0.219 282 P C 2.071 179.319 177.300 -0.086 0.000 1.150 282 P CA 1.682 64.732 63.100 -0.084 0.000 0.814 282 P CB 0.180 31.840 31.700 -0.067 0.000 0.787 283 S N -0.344 115.324 115.700 -0.054 0.000 2.370 283 S HA -0.182 4.288 4.470 0.000 0.000 0.226 283 S C 1.661 176.205 174.600 -0.094 0.000 1.033 283 S CA 1.776 59.946 58.200 -0.050 0.000 1.011 283 S CB -1.164 62.026 63.200 -0.017 0.000 0.852 283 S HN 0.347 nan 8.310 nan 0.000 0.457 284 N N 1.325 119.959 118.700 -0.110 0.000 2.300 284 N HA 0.117 4.857 4.740 0.000 0.000 0.179 284 N C 1.894 177.264 175.510 -0.232 0.000 1.016 284 N CA 0.765 53.715 53.050 -0.166 0.000 0.876 284 N CB -0.225 38.187 38.487 -0.126 0.000 0.979 284 N HN 0.367 nan 8.380 nan 0.000 0.432 285 A N 1.748 124.429 122.820 -0.233 0.000 1.902 285 A HA -0.198 4.122 4.320 0.000 0.000 0.217 285 A C 2.082 179.476 177.584 -0.316 0.000 1.181 285 A CA 1.373 53.206 52.037 -0.339 0.000 0.623 285 A CB -0.456 18.358 19.000 -0.310 0.000 0.818 285 A HN 0.210 nan 8.150 nan 0.000 0.443 286 K N -0.890 119.385 120.400 -0.209 0.000 2.026 286 K HA -0.133 4.187 4.320 0.000 0.000 0.208 286 K C 2.043 178.545 176.600 -0.164 0.000 1.048 286 K CA 1.863 58.061 56.287 -0.148 0.000 0.929 286 K CB -0.390 32.059 32.500 -0.086 0.000 0.713 286 K HN 0.430 nan 8.250 nan 0.000 0.439 287 T N 1.777 116.213 114.554 -0.196 0.000 2.652 287 T HA -0.186 4.164 4.350 0.000 0.000 0.267 287 T C 1.793 176.304 174.700 -0.316 0.000 1.039 287 T CA 1.549 63.498 62.100 -0.251 0.000 1.153 287 T CB -0.264 68.438 68.868 -0.277 0.000 0.863 287 T HN 0.206 nan 8.240 nan 0.000 0.428 288 I N 0.821 121.210 120.570 -0.301 0.000 2.286 288 I HA -0.139 4.031 4.170 0.000 0.000 0.248 288 I C 2.344 178.344 176.117 -0.196 0.000 1.115 288 I CA 0.896 62.071 61.300 -0.208 0.000 1.392 288 I CB -0.479 37.392 38.000 -0.215 0.000 1.065 288 I HN 0.318 nan 8.210 nan 0.000 0.418 289 C N 0.260 119.388 119.300 -0.287 0.000 2.457 289 C HA -0.097 4.363 4.460 0.000 0.000 0.278 289 C C 2.355 177.324 174.990 -0.035 0.000 1.309 289 C CA 0.531 59.420 59.018 -0.215 0.000 1.735 289 C CB -1.222 26.390 27.740 -0.214 0.000 1.992 289 C HN 0.499 nan 8.230 nan 0.000 0.493 290 D N 0.150 120.474 120.400 -0.126 0.000 2.158 290 D HA -0.126 4.514 4.640 0.000 0.000 0.197 290 D C 1.929 177.937 176.300 -0.487 0.000 0.995 290 D CA 1.418 55.264 54.000 -0.257 0.000 0.846 290 D CB -0.360 40.232 40.800 -0.347 0.000 0.941 290 D HN 0.622 nan 8.370 nan 0.000 0.456 291 H N -0.312 118.650 119.070 -0.181 0.000 2.370 291 H HA 0.132 4.688 4.556 0.000 0.000 0.304 291 H C 2.358 177.522 175.328 -0.274 0.000 1.055 291 H CA 0.032 55.931 56.048 -0.250 0.000 1.373 291 H CB -0.524 29.131 29.762 -0.178 0.000 1.423 291 H HN 0.105 nan 8.280 nan 0.000 0.533 292 L N 0.964 122.160 121.223 -0.044 0.000 2.261 292 L HA -0.127 4.213 4.340 0.000 0.000 0.216 292 L C 2.439 179.340 176.870 0.051 0.000 1.114 292 L CA 0.768 55.601 54.840 -0.011 0.000 0.777 292 L CB -0.308 41.837 42.059 0.144 0.000 0.910 292 L HN 0.194 nan 8.230 nan 0.000 0.440 293 A N -0.561 122.244 122.820 -0.026 0.000 2.019 293 A HA -0.181 4.139 4.320 0.000 0.000 0.219 293 A C 2.162 179.597 177.584 -0.247 0.000 1.164 293 A CA 1.658 53.629 52.037 -0.110 0.000 0.644 293 A CB -0.805 17.848 19.000 -0.579 0.000 0.805 293 A HN 0.434 nan 8.150 nan 0.000 0.449 294 V N -2.567 117.046 119.914 -0.502 0.000 2.970 294 V HA -0.016 4.104 4.120 0.000 0.000 0.260 294 V C 1.843 177.888 176.094 -0.081 0.000 1.100 294 V CA 1.516 63.552 62.300 -0.441 0.000 1.122 294 V CB -0.759 30.746 31.823 -0.531 0.000 0.721 294 V HN 0.443 nan 8.190 nan 0.000 0.483 295 L N -0.273 120.893 121.223 -0.095 0.000 2.610 295 L HA 0.245 4.585 4.340 0.000 0.000 0.232 295 L C 0.924 177.733 176.870 -0.102 0.000 1.149 295 L CA -0.006 54.788 54.840 -0.077 0.000 0.872 295 L CB -0.336 41.618 42.059 -0.175 0.000 0.992 295 L HN 0.334 nan 8.230 nan 0.000 0.447 296 R N -1.407 119.037 120.500 -0.094 0.000 3.205 296 R HA -0.140 4.200 4.340 0.000 0.000 0.249 296 R C -2.239 173.994 176.300 -0.111 0.000 0.937 296 R CA 0.028 56.052 56.100 -0.127 0.000 0.641 296 R CB -2.236 27.876 30.300 -0.314 0.000 1.114 296 R HN 0.244 nan 8.270 nan 0.000 0.451 297 P HA 0.022 nan 4.420 nan 0.000 0.270 297 P C 0.715 177.923 177.300 -0.153 0.000 1.227 297 P CA -0.217 62.826 63.100 -0.096 0.000 0.788 297 P CB 0.538 32.249 31.700 0.018 0.000 0.926 298 D N -0.671 119.581 120.400 -0.248 0.000 2.271 298 D HA 0.099 4.739 4.640 0.000 0.000 0.206 298 D C 0.267 176.462 176.300 -0.175 0.000 0.967 298 D CA 0.949 54.849 54.000 -0.166 0.000 0.867 298 D CB 0.495 41.036 40.800 -0.432 0.000 0.960 298 D HN 0.080 nan 8.370 nan 0.000 0.509 299 V N 0.169 119.973 119.914 -0.184 0.000 3.155 299 V HA 0.424 4.544 4.120 0.000 0.000 0.272 299 V C -2.198 173.955 176.094 0.098 0.000 1.639 299 V CA -0.954 61.294 62.300 -0.087 0.000 1.006 299 V CB 1.686 33.536 31.823 0.045 0.000 1.244 299 V HN 0.139 nan 8.190 nan 0.000 0.458 300 W N 6.187 127.533 121.300 0.077 0.000 2.957 300 W HA 0.876 5.536 4.660 0.000 0.000 0.336 300 W C -2.118 174.479 176.519 0.130 0.000 1.087 300 W CA -1.400 55.962 57.345 0.029 0.000 1.235 300 W CB 0.651 30.119 29.460 0.013 0.000 1.399 300 W HN 0.517 nan 8.180 nan 0.000 0.480 304 G N 2.803 111.558 108.800 -0.075 0.000 2.749 304 G HA2 0.548 4.508 3.960 0.000 0.000 0.300 304 G HA3 0.548 4.508 3.960 0.000 0.000 0.300 304 G C -1.300 173.768 174.900 0.281 0.000 1.352 304 G CA -0.680 44.373 45.100 -0.079 0.000 0.789 304 G HN 0.399 nan 8.290 nan 0.000 0.509 305 H N -1.583 117.547 119.070 0.100 0.000 2.505 305 H HA 0.523 5.079 4.556 0.000 0.000 0.355 305 H C 0.254 175.612 175.328 0.050 0.000 1.179 305 H CA 0.019 56.111 56.048 0.072 0.000 1.343 305 H CB 1.460 31.207 29.762 -0.024 0.000 1.501 305 H HN 0.793 nan 8.280 nan 0.000 0.569 306 C N 0.139 119.525 119.300 0.143 0.000 3.321 306 C HA 0.707 5.167 4.460 0.000 0.000 0.329 306 C C 0.209 175.225 174.990 0.044 0.000 1.394 306 C CA -0.871 58.197 59.018 0.083 0.000 1.291 306 C CB 0.710 28.486 27.740 0.060 0.000 1.606 306 C HN 0.943 nan 8.230 nan 0.000 0.463 307 G N 0.280 109.117 108.800 0.062 0.000 2.356 307 G HA2 0.620 4.580 3.960 0.000 0.000 0.322 307 G HA3 0.620 4.580 3.960 0.000 0.000 0.322 307 G C 0.155 175.079 174.900 0.039 0.000 1.125 307 G CA 0.088 45.236 45.100 0.080 0.000 0.885 307 G HN 1.551 nan 8.290 nan 0.000 0.467 308 G N 0.425 109.244 108.800 0.031 0.000 2.372 308 G HA2 0.440 4.400 3.960 0.000 0.000 0.283 308 G HA3 0.440 4.400 3.960 0.000 0.000 0.283 308 G C 0.620 175.565 174.900 0.075 0.000 1.177 308 G CA -0.600 44.508 45.100 0.012 0.000 0.842 308 G HN 0.557 nan 8.290 nan 0.000 0.503 309 L N 1.423 122.676 121.223 0.051 0.000 2.664 309 L HA 0.292 4.632 4.340 0.000 0.000 0.233 309 L C 0.796 177.796 176.870 0.217 0.000 1.113 309 L CA -0.187 54.733 54.840 0.133 0.000 0.896 309 L CB -0.024 42.053 42.059 0.029 0.000 1.163 309 L HN 0.239 nan 8.230 nan 0.000 0.497 310 R N 0.902 121.460 120.500 0.097 0.000 2.368 310 R HA 0.129 4.469 4.340 0.000 0.000 0.302 310 R C 0.955 177.150 176.300 -0.175 0.000 1.002 310 R CA -0.274 55.850 56.100 0.039 0.000 0.929 310 R CB 1.409 31.700 30.300 -0.014 0.000 1.073 310 R HN 0.119 nan 8.270 nan 0.000 0.464 311 E N 0.849 120.864 120.200 -0.308 0.000 2.110 311 E HA -0.190 4.160 4.350 0.000 0.000 0.193 311 E C 0.994 177.403 176.600 -0.318 0.000 0.988 311 E CA 1.933 57.952 56.400 -0.636 0.000 0.804 311 E CB -0.133 29.372 29.700 -0.325 0.000 0.745 311 E HN 0.519 nan 8.360 nan 0.000 0.458 312 S N -0.728 114.869 115.700 -0.171 0.000 2.603 312 S HA -0.068 4.402 4.470 0.000 0.000 0.229 312 S C 0.724 175.255 174.600 -0.115 0.000 0.972 312 S CA -0.187 57.943 58.200 -0.117 0.000 0.935 312 S CB -0.286 62.870 63.200 -0.072 0.000 0.769 312 S HN 0.281 nan 8.310 nan 0.000 0.536 313 Q N 0.915 120.635 119.800 -0.134 0.000 2.259 313 Q HA 0.677 5.017 4.340 0.000 0.000 0.249 313 Q C -0.550 175.376 176.000 -0.123 0.000 0.914 313 Q CA -0.318 55.416 55.803 -0.115 0.000 0.904 313 Q CB 1.531 30.211 28.738 -0.096 0.000 1.213 313 Q HN 0.529 nan 8.270 nan 0.000 0.428 314 A N 3.135 125.882 122.820 -0.121 0.000 2.350 314 A HA 0.494 4.814 4.320 0.000 0.000 0.324 314 A C -0.371 177.129 177.584 -0.139 0.000 1.118 314 A CA -0.775 51.190 52.037 -0.121 0.000 0.783 314 A CB 0.667 19.598 19.000 -0.116 0.000 1.236 314 A HN 0.800 nan 8.150 nan 0.000 0.457 315 I N 1.712 122.206 120.570 -0.126 0.000 2.826 315 I HA 0.168 4.338 4.170 0.000 0.000 0.295 315 I C 1.494 177.501 176.117 -0.183 0.000 1.213 315 I CA 2.099 63.312 61.300 -0.145 0.000 1.436 315 I CB 0.287 38.214 38.000 -0.122 0.000 1.348 315 I HN 1.117 nan 8.210 nan 0.000 0.570 316 G N 4.059 112.716 108.800 -0.237 0.000 2.238 316 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 316 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 316 G C 0.046 174.633 174.900 -0.521 0.000 0.996 316 G CA -0.397 44.517 45.100 -0.311 0.000 0.632 316 G HN 0.572 nan 8.290 nan 0.000 0.503 317 D N -0.060 120.092 120.400 -0.413 0.000 2.371 317 D HA 0.542 5.182 4.640 0.000 0.000 0.242 317 D C 0.138 176.125 176.300 -0.523 0.000 1.218 317 D CA 0.367 54.089 54.000 -0.464 0.000 0.945 317 D CB 0.282 40.942 40.800 -0.233 0.000 1.137 317 D HN 0.196 nan 8.370 nan 0.000 0.464 318 Y N -0.878 119.361 120.300 -0.102 0.000 2.446 318 Y HA 0.504 5.054 4.550 0.000 0.000 0.338 318 Y C 0.111 175.971 175.900 -0.066 0.000 1.055 318 Y CA -1.010 57.026 58.100 -0.107 0.000 1.101 318 Y CB 1.467 39.870 38.460 -0.094 0.000 1.221 318 Y HN -0.087 nan 8.280 nan 0.000 0.460 319 V N 4.202 124.196 119.914 0.134 0.000 2.483 319 V HA 0.315 4.435 4.120 0.000 0.000 0.297 319 V C -1.164 174.967 176.094 0.062 0.000 1.027 319 V CA -0.748 61.583 62.300 0.052 0.000 0.855 319 V CB 1.796 33.623 31.823 0.007 0.000 0.995 319 V HN 0.525 nan 8.190 nan 0.000 0.424 320 L N 5.605 126.849 121.223 0.035 0.000 2.262 320 L HA 0.807 5.147 4.340 0.000 0.000 0.288 320 L C 0.591 177.440 176.870 -0.034 0.000 1.035 320 L CA -0.132 54.733 54.840 0.042 0.000 0.820 320 L CB 0.957 43.064 42.059 0.080 0.000 1.204 320 L HN 0.741 nan 8.230 nan 0.000 0.424 321 A N 3.696 126.494 122.820 -0.036 0.000 2.491 321 A HA 0.315 4.635 4.320 0.000 0.000 0.261 321 A C 0.486 178.000 177.584 -0.118 0.000 1.101 321 A CA 0.240 52.173 52.037 -0.173 0.000 0.772 321 A CB -0.260 18.557 19.000 -0.305 0.000 1.043 321 A HN 0.951 nan 8.150 nan 0.000 0.501 322 H N 0.594 119.534 119.070 -0.217 0.000 2.652 322 H HA 0.623 5.179 4.556 0.000 0.000 0.274 322 H C -0.043 175.169 175.328 -0.194 0.000 1.021 322 H CA -0.179 55.779 56.048 -0.150 0.000 1.187 322 H CB -0.387 29.321 29.762 -0.089 0.000 1.505 322 H HN 0.974 nan 8.280 nan 0.000 0.530 323 A N -0.192 122.615 122.820 -0.022 0.000 2.567 323 A HA 0.567 4.887 4.320 0.000 0.000 0.291 323 A C -2.192 175.131 177.584 -0.435 0.000 1.048 323 A CA -0.905 51.020 52.037 -0.187 0.000 0.661 323 A CB 0.600 19.532 19.000 -0.113 0.000 1.288 323 A HN 0.157 nan 8.150 nan 0.000 0.424 324 Y N -0.295 120.021 120.300 0.027 0.000 2.391 324 Y HA 0.596 5.146 4.550 0.000 0.000 0.341 324 Y C -0.263 175.610 175.900 -0.044 0.000 0.965 324 Y CA -0.723 57.368 58.100 -0.016 0.000 1.067 324 Y CB 2.122 40.562 38.460 -0.034 0.000 1.199 324 Y HN 0.613 nan 8.280 nan 0.000 0.450 325 L N 4.522 125.788 121.223 0.072 0.000 2.270 325 L HA 0.495 4.835 4.340 0.000 0.000 0.286 325 L C -0.326 176.545 176.870 0.001 0.000 1.059 325 L CA -0.681 54.168 54.840 0.015 0.000 0.839 325 L CB 0.266 42.308 42.059 -0.029 0.000 1.221 325 L HN 0.532 nan 8.230 nan 0.000 0.431 326 R N 3.694 124.190 120.500 -0.007 0.000 2.609 326 R HA 0.145 4.485 4.340 0.000 0.000 0.271 326 R C -0.430 175.812 176.300 -0.097 0.000 1.403 326 R CA 0.035 56.102 56.100 -0.056 0.000 1.138 326 R CB -0.079 30.183 30.300 -0.063 0.000 1.142 326 R HN 0.552 nan 8.270 nan 0.000 0.559 327 D N 0.874 121.186 120.400 -0.147 0.000 2.525 327 D HA -0.042 4.598 4.640 0.000 0.000 0.229 327 D C 0.409 176.398 176.300 -0.518 0.000 1.202 327 D CA 0.243 54.082 54.000 -0.268 0.000 0.828 327 D CB 0.533 41.249 40.800 -0.139 0.000 1.008 327 D HN 0.467 nan 8.370 nan 0.000 0.493 328 D N -0.892 119.288 120.400 -0.367 0.000 2.333 328 D HA -0.119 4.521 4.640 0.000 0.000 0.208 328 D C 0.828 176.992 176.300 -0.227 0.000 0.984 328 D CA 0.443 54.270 54.000 -0.288 0.000 0.873 328 D CB 0.035 40.742 40.800 -0.154 0.000 0.935 328 D HN 0.106 nan 8.370 nan 0.000 0.521 329 H N -0.543 118.519 119.070 -0.014 0.000 5.117 329 H HA -0.221 4.335 4.556 0.000 0.000 0.074 329 H C 1.880 177.198 175.328 -0.016 0.000 0.550 329 H CA 1.392 57.434 56.048 -0.010 0.000 1.091 329 H CB -1.662 28.102 29.762 0.003 0.000 0.520 329 H HN 0.251 nan 8.280 nan 0.000 0.712 330 V N 1.601 121.570 119.914 0.091 0.000 2.527 330 V HA -0.204 3.916 4.120 0.000 0.000 0.255 330 V C 2.152 178.255 176.094 0.015 0.000 1.081 330 V CA 2.508 64.832 62.300 0.040 0.000 1.092 330 V CB -0.415 31.410 31.823 0.003 0.000 0.673 330 V HN 0.384 nan 8.190 nan 0.000 0.470 331 L N -0.840 120.381 121.223 -0.004 0.000 2.808 331 L HA 0.204 4.544 4.340 0.000 0.000 0.246 331 L C 1.630 178.495 176.870 -0.009 0.000 1.153 331 L CA -0.037 54.792 54.840 -0.020 0.000 0.956 331 L CB 0.022 42.045 42.059 -0.060 0.000 1.270 331 L HN 0.221 nan 8.230 nan 0.000 0.528 332 D N 1.395 121.805 120.400 0.017 0.000 2.133 332 D HA -0.221 4.419 4.640 0.000 0.000 0.195 332 D C 2.220 178.528 176.300 0.013 0.000 0.997 332 D CA 1.612 55.625 54.000 0.022 0.000 0.840 332 D CB 0.120 40.953 40.800 0.055 0.000 0.947 332 D HN 0.345 nan 8.370 nan 0.000 0.452 333 A N 0.404 123.232 122.820 0.014 0.000 1.873 333 A HA -0.109 4.211 4.320 0.000 0.000 0.215 333 A C 2.391 179.981 177.584 0.010 0.000 1.186 333 A CA 1.995 54.039 52.037 0.012 0.000 0.616 333 A CB -0.695 18.313 19.000 0.015 0.000 0.823 333 A HN 0.246 nan 8.150 nan 0.000 0.442 334 V N -3.994 115.924 119.914 0.007 0.000 2.951 334 V HA 0.328 4.448 4.120 0.000 0.000 0.255 334 V C 0.688 176.782 176.094 -0.000 0.000 1.088 334 V CA 0.867 63.170 62.300 0.005 0.000 1.109 334 V CB -0.230 31.595 31.823 0.003 0.000 0.724 334 V HN 0.322 nan 8.190 nan 0.000 0.471 335 L N 1.685 122.902 121.223 -0.010 0.000 2.534 335 L HA 0.668 5.008 4.340 0.000 0.000 0.259 335 L C -2.900 173.955 176.870 -0.024 0.000 1.108 335 L CA -1.796 53.034 54.840 -0.016 0.000 0.905 335 L CB 1.431 43.464 42.059 -0.042 0.000 1.138 335 L HN -0.008 nan 8.230 nan 0.000 0.475 336 P HA 0.088 nan 4.420 nan 0.000 0.264 336 P C -2.059 175.229 177.300 -0.019 0.000 1.179 336 P CA -0.657 62.439 63.100 -0.006 0.000 0.763 336 P CB 0.193 31.894 31.700 0.002 0.000 0.806 337 P HA -0.190 nan 4.420 nan 0.000 0.222 337 P C 0.740 178.030 177.300 -0.018 0.000 1.142 337 P CA 1.377 64.468 63.100 -0.014 0.000 0.788 337 P CB -0.191 31.515 31.700 0.010 0.000 0.767 338 D N -1.671 118.722 120.400 -0.011 0.000 2.350 338 D HA -0.038 4.602 4.640 0.000 0.000 0.213 338 D C 0.520 176.810 176.300 -0.016 0.000 1.031 338 D CA 0.194 54.188 54.000 -0.009 0.000 0.861 338 D CB -0.188 40.613 40.800 0.001 0.000 0.926 338 D HN 0.083 nan 8.370 nan 0.000 0.520 339 I N 3.652 124.203 120.570 -0.031 0.000 2.452 339 I HA 0.145 4.315 4.170 0.000 0.000 0.287 339 I C -1.991 174.071 176.117 -0.091 0.000 1.079 339 I CA -2.273 59.004 61.300 -0.039 0.000 1.387 339 I CB 0.237 38.213 38.000 -0.040 0.000 1.404 339 I HN -0.112 nan 8.210 nan 0.000 0.522 340 P HA 0.221 nan 4.420 nan 0.000 0.276 340 P C -0.674 176.521 177.300 -0.174 0.000 1.243 340 P CA -0.293 62.763 63.100 -0.075 0.000 0.768 340 P CB 1.221 32.912 31.700 -0.015 0.000 0.856 341 I N 6.252 126.721 120.570 -0.168 0.000 2.291 341 I HA 0.240 4.410 4.170 0.000 0.000 0.290 341 I C -1.283 174.893 176.117 0.098 0.000 1.050 341 I CA -2.554 58.619 61.300 -0.213 0.000 1.245 341 I CB 0.389 38.271 38.000 -0.197 0.000 1.405 341 I HN 0.271 nan 8.210 nan 0.000 0.478 342 P HA 0.292 nan 4.420 nan 0.000 0.279 342 P C -0.345 177.121 177.300 0.277 0.000 1.282 342 P CA -0.385 62.831 63.100 0.194 0.000 0.788 342 P CB 1.064 32.865 31.700 0.169 0.000 1.139 343 S N -0.149 115.637 115.700 0.143 0.000 2.578 343 S HA 0.418 4.888 4.470 0.000 0.000 0.283 343 S C 0.217 174.805 174.600 -0.020 0.000 1.195 343 S CA -0.566 57.689 58.200 0.091 0.000 1.050 343 S CB 0.279 63.514 63.200 0.059 0.000 1.012 343 S HN 0.223 nan 8.310 nan 0.000 0.511 344 I N 3.018 123.500 120.570 -0.147 0.000 2.297 344 I HA 0.229 4.399 4.170 0.000 0.000 0.291 344 I C 1.388 177.455 176.117 -0.083 0.000 1.033 344 I CA -0.555 60.645 61.300 -0.167 0.000 1.253 344 I CB -0.138 37.671 38.000 -0.318 0.000 1.396 344 I HN 0.793 nan 8.210 nan 0.000 0.476 345 A N 6.085 128.876 122.820 -0.047 0.000 1.884 345 A HA -0.228 4.092 4.320 0.000 0.000 0.219 345 A C 1.971 179.544 177.584 -0.018 0.000 1.197 345 A CA 1.853 53.874 52.037 -0.027 0.000 0.637 345 A CB -0.352 18.635 19.000 -0.022 0.000 0.827 345 A HN 0.699 nan 8.150 nan 0.000 0.450 346 E N -0.390 119.798 120.200 -0.020 0.000 2.058 346 E HA -0.128 4.222 4.350 0.000 0.000 0.194 346 E C 1.936 178.541 176.600 0.009 0.000 0.997 346 E CA 1.376 57.777 56.400 0.001 0.000 0.801 346 E CB -0.576 29.128 29.700 0.006 0.000 0.746 346 E HN 0.372 nan 8.360 nan 0.000 0.450 347 V N 1.174 121.079 119.914 -0.015 0.000 2.427 347 V HA -0.244 3.876 4.120 0.000 0.000 0.248 347 V C 2.207 178.322 176.094 0.036 0.000 1.051 347 V CA 1.548 63.852 62.300 0.006 0.000 1.048 347 V CB -0.499 31.302 31.823 -0.037 0.000 0.666 347 V HN 0.256 nan 8.190 nan 0.000 0.456 348 Q N 0.084 119.899 119.800 0.024 0.000 2.084 348 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 348 Q C 2.433 178.480 176.000 0.078 0.000 0.978 348 Q CA 1.504 57.337 55.803 0.049 0.000 0.844 348 Q CB -0.342 28.409 28.738 0.021 0.000 0.898 348 Q HN 0.618 nan 8.270 nan 0.000 0.426 349 R N 0.265 120.799 120.500 0.057 0.000 2.075 349 R HA -0.020 4.321 4.340 0.000 0.000 0.232 349 R C 2.323 178.700 176.300 0.129 0.000 1.126 349 R CA 1.046 57.201 56.100 0.091 0.000 0.963 349 R CB -0.413 29.918 30.300 0.052 0.000 0.858 349 R HN 0.204 nan 8.270 nan 0.000 0.435 350 A N 1.440 124.311 122.820 0.085 0.000 1.883 350 A HA -0.175 4.145 4.320 0.000 0.000 0.217 350 A C 2.058 179.686 177.584 0.074 0.000 1.186 350 A CA 1.246 53.326 52.037 0.072 0.000 0.624 350 A CB -0.477 18.558 19.000 0.060 0.000 0.822 350 A HN 0.100 nan 8.150 nan 0.000 0.444 351 L N -1.931 119.344 121.223 0.085 0.000 2.083 351 L HA -0.124 4.216 4.340 0.000 0.000 0.209 351 L C 2.313 179.232 176.870 0.082 0.000 1.083 351 L CA 1.819 56.703 54.840 0.072 0.000 0.752 351 L CB -1.426 40.686 42.059 0.088 0.000 0.899 351 L HN 0.609 nan 8.230 nan 0.000 0.433 352 Y N 0.679 120.980 120.300 0.003 0.000 2.109 352 Y HA -0.239 4.311 4.550 0.000 0.000 0.285 352 Y C 2.411 178.311 175.900 -0.000 0.000 1.131 352 Y CA 1.861 59.962 58.100 0.002 0.000 1.121 352 Y CB -0.166 38.299 38.460 0.009 0.000 0.987 352 Y HN 0.249 nan 8.280 nan 0.000 0.495 353 D N 0.153 120.616 120.400 0.105 0.000 2.104 353 D HA -0.207 4.433 4.640 0.000 0.000 0.194 353 D C 2.281 178.545 176.300 -0.059 0.000 0.994 353 D CA 1.603 55.608 54.000 0.009 0.000 0.830 353 D CB -0.756 40.088 40.800 0.073 0.000 0.959 353 D HN 0.473 nan 8.370 nan 0.000 0.452 354 A N 0.322 123.122 122.820 -0.033 0.000 1.978 354 A HA -0.182 4.138 4.320 0.000 0.000 0.220 354 A C 2.355 179.881 177.584 -0.096 0.000 1.170 354 A CA 2.114 54.120 52.037 -0.051 0.000 0.636 354 A CB -0.847 18.131 19.000 -0.037 0.000 0.810 354 A HN 0.235 nan 8.150 nan 0.000 0.448 355 T N -0.380 114.090 114.554 -0.141 0.000 2.821 355 T HA -0.094 4.256 4.350 0.000 0.000 0.267 355 T C 1.940 176.543 174.700 -0.162 0.000 1.046 355 T CA 1.545 63.537 62.100 -0.180 0.000 1.139 355 T CB -0.120 68.624 68.868 -0.206 0.000 0.871 355 T HN 0.527 nan 8.240 nan 0.000 0.454 356 K N 0.694 120.961 120.400 -0.223 0.000 1.985 356 K HA -0.015 4.306 4.320 0.000 0.000 0.210 356 K C 2.212 178.758 176.600 -0.090 0.000 1.047 356 K CA 1.127 57.306 56.287 -0.179 0.000 0.932 356 K CB -0.458 31.921 32.500 -0.202 0.000 0.716 356 K HN 0.257 nan 8.250 nan 0.000 0.439 357 L N 0.553 121.733 121.223 -0.071 0.000 1.933 357 L HA -0.272 4.068 4.340 0.000 0.000 0.220 357 L C 2.447 179.299 176.870 -0.029 0.000 1.078 357 L CA 1.425 56.242 54.840 -0.038 0.000 0.773 357 L CB -1.062 40.980 42.059 -0.027 0.000 0.890 357 L HN 0.022 nan 8.230 nan 0.000 0.434 358 V N -0.850 119.044 119.914 -0.033 0.000 2.252 358 V HA -0.278 3.842 4.120 0.000 0.000 0.249 358 V C 1.899 177.993 176.094 0.001 0.000 1.056 358 V CA 2.056 64.344 62.300 -0.019 0.000 1.022 358 V CB -0.513 31.289 31.823 -0.035 0.000 0.641 358 V HN 0.467 nan 8.190 nan 0.000 0.445 359 S N 0.725 116.427 115.700 0.004 0.000 3.697 359 S HA 0.380 4.850 4.470 0.000 0.000 0.207 359 S C 0.407 175.016 174.600 0.015 0.000 1.459 359 S CA -0.092 58.137 58.200 0.048 0.000 1.122 359 S CB -0.902 62.377 63.200 0.131 0.000 1.311 359 S HN 0.576 nan 8.310 nan 0.000 0.487 360 G N 2.631 111.432 108.800 0.002 0.000 2.468 360 G HA2 0.463 4.423 3.960 0.000 0.000 0.320 360 G HA3 0.463 4.423 3.960 0.000 0.000 0.320 360 G C -0.503 174.396 174.900 -0.002 0.000 1.137 360 G CA -0.793 44.302 45.100 -0.008 0.000 0.984 360 G HN 0.514 nan 8.290 nan 0.000 0.462 361 R N 3.491 123.988 120.500 -0.004 0.000 2.387 361 R HA 0.281 4.621 4.340 0.000 0.000 0.314 361 R C -1.737 174.559 176.300 -0.005 0.000 0.958 361 R CA -1.500 54.598 56.100 -0.004 0.000 0.846 361 R CB 2.082 32.378 30.300 -0.005 0.000 1.147 361 R HN 0.306 nan 8.270 nan 0.000 0.447 362 P HA -0.237 nan 4.420 nan 0.000 0.207 362 P C 1.204 178.502 177.300 -0.003 0.000 1.115 362 P CA 1.423 64.522 63.100 -0.003 0.000 0.956 362 P CB -0.005 31.694 31.700 -0.002 0.000 0.774 363 G N -0.470 108.328 108.800 -0.004 0.000 2.740 363 G HA2 -0.104 3.856 3.960 0.000 0.000 0.208 363 G HA3 -0.104 3.856 3.960 0.000 0.000 0.208 363 G C 0.186 175.083 174.900 -0.004 0.000 1.148 363 G CA 0.247 45.345 45.100 -0.004 0.000 0.795 363 G HN 0.530 nan 8.290 nan 0.000 0.526 364 E N -0.660 119.537 120.200 -0.005 0.000 2.369 364 E HA 0.629 4.979 4.350 0.000 0.000 0.270 364 E C -1.316 175.281 176.600 -0.005 0.000 0.909 364 E CA -1.044 55.353 56.400 -0.006 0.000 0.775 364 E CB 1.565 31.259 29.700 -0.010 0.000 1.270 364 E HN -0.051 nan 8.360 nan 0.000 0.445 365 E N 0.139 120.338 120.200 -0.001 0.000 2.283 365 E HA 0.126 4.476 4.350 0.000 0.000 0.267 365 E C 0.821 177.420 176.600 -0.002 0.000 1.045 365 E CA -0.164 56.239 56.400 0.005 0.000 0.884 365 E CB 1.689 31.399 29.700 0.016 0.000 1.106 365 E HN 0.494 nan 8.360 nan 0.000 0.408 366 V N 0.952 120.862 119.914 -0.007 0.000 2.427 366 V HA -0.180 3.940 4.120 0.000 0.000 0.248 366 V C 1.733 177.835 176.094 0.014 0.000 1.051 366 V CA 1.121 63.406 62.300 -0.024 0.000 1.048 366 V CB -0.584 31.170 31.823 -0.115 0.000 0.666 366 V HN 0.540 nan 8.190 nan 0.000 0.456 367 K N 0.704 121.128 120.400 0.040 0.000 2.189 367 K HA -0.280 4.040 4.320 0.000 0.000 0.207 367 K C 2.243 178.850 176.600 0.012 0.000 1.046 367 K CA 2.396 58.709 56.287 0.042 0.000 0.928 367 K CB -0.444 32.081 32.500 0.041 0.000 0.720 367 K HN 0.704 nan 8.250 nan 0.000 0.458 368 Q N -0.459 119.341 119.800 -0.001 0.000 2.230 368 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 368 Q C 1.930 177.908 176.000 -0.037 0.000 0.963 368 Q CA 0.943 56.734 55.803 -0.020 0.000 0.866 368 Q CB 0.028 28.753 28.738 -0.022 0.000 0.931 368 Q HN 0.094 nan 8.270 nan 0.000 0.452 369 R N -0.325 120.159 120.500 -0.027 0.000 2.344 369 R HA 0.176 4.516 4.340 0.000 0.000 0.209 369 R C -0.607 175.685 176.300 -0.014 0.000 0.886 369 R CA 0.097 56.166 56.100 -0.051 0.000 1.040 369 R CB 0.640 30.923 30.300 -0.029 0.000 1.114 369 R HN 0.046 nan 8.270 nan 0.000 0.547 370 L N 0.965 122.209 121.223 0.036 0.000 2.356 370 L HA 0.594 4.934 4.340 0.000 0.000 0.277 370 L C -1.437 175.465 176.870 0.054 0.000 0.996 370 L CA -0.843 54.046 54.840 0.081 0.000 0.822 370 L CB 1.619 43.741 42.059 0.106 0.000 1.256 370 L HN -0.080 nan 8.230 nan 0.000 0.413 371 R N 2.545 123.064 120.500 0.032 0.000 2.437 371 R HA 0.693 5.033 4.340 0.000 0.000 0.310 371 R C -1.210 175.074 176.300 -0.028 0.000 0.955 371 R CA -0.197 55.898 56.100 -0.007 0.000 0.851 371 R CB 1.568 31.844 30.300 -0.039 0.000 1.161 371 R HN 0.712 nan 8.270 nan 0.000 0.446 372 T N 2.917 117.437 114.554 -0.057 0.000 2.749 372 T HA 0.771 5.121 4.350 0.000 0.000 0.287 372 T C -0.390 174.099 174.700 -0.352 0.000 0.970 372 T CA 0.057 62.077 62.100 -0.133 0.000 0.980 372 T CB 1.377 70.207 68.868 -0.064 0.000 0.924 372 T HN 0.774 nan 8.240 nan 0.000 0.456 373 G N 1.783 110.255 108.800 -0.546 0.000 2.490 373 G HA2 0.486 4.446 3.960 0.000 0.000 0.308 373 G HA3 0.486 4.446 3.960 0.000 0.000 0.308 373 G C -1.016 173.496 174.900 -0.647 0.000 1.286 373 G CA -0.690 43.896 45.100 -0.858 0.000 0.825 373 G HN 0.519 nan 8.290 nan 0.000 0.479 374 T N 0.475 114.850 114.554 -0.299 0.000 2.832 374 T HA 0.511 4.861 4.350 0.000 0.000 0.296 374 T C -0.010 174.591 174.700 -0.165 0.000 0.968 374 T CA -0.036 62.009 62.100 -0.092 0.000 1.107 374 T CB 1.306 70.197 68.868 0.038 0.000 0.916 374 T HN 0.465 nan 8.240 nan 0.000 0.517 375 V N 4.297 124.105 119.914 -0.177 0.000 2.483 375 V HA 0.372 4.492 4.120 0.000 0.000 0.295 375 V C 0.052 176.084 176.094 -0.104 0.000 1.035 375 V CA -0.808 61.409 62.300 -0.138 0.000 0.896 375 V CB 1.894 33.681 31.823 -0.061 0.000 0.986 375 V HN 0.665 nan 8.190 nan 0.000 0.447 376 V N 3.759 123.546 119.914 -0.213 0.000 2.383 376 V HA 0.361 4.481 4.120 0.000 0.000 0.275 376 V C 0.404 176.401 176.094 -0.161 0.000 1.036 376 V CA -0.155 62.006 62.300 -0.232 0.000 0.889 376 V CB 1.515 33.043 31.823 -0.492 0.000 0.985 376 V HN 0.954 nan 8.190 nan 0.000 0.459 377 T N 3.918 118.420 114.554 -0.087 0.000 2.758 377 T HA 0.466 4.816 4.350 0.000 0.000 0.285 377 T C 0.029 174.665 174.700 -0.107 0.000 0.981 377 T CA -0.136 61.919 62.100 -0.076 0.000 0.965 377 T CB 1.322 70.157 68.868 -0.055 0.000 0.927 377 T HN 0.817 nan 8.240 nan 0.000 0.448 378 T N 1.015 115.517 114.554 -0.085 0.000 2.924 378 T HA 0.403 4.753 4.350 0.000 0.000 0.291 378 T C 0.126 174.814 174.700 -0.021 0.000 1.045 378 T CA -0.875 61.185 62.100 -0.067 0.000 1.015 378 T CB 1.256 70.122 68.868 -0.003 0.000 1.103 378 T HN 0.592 nan 8.240 nan 0.000 0.496 379 D N 1.030 121.419 120.400 -0.018 0.000 2.363 379 D HA 0.141 4.781 4.640 0.000 0.000 0.214 379 D C -0.052 176.309 176.300 0.102 0.000 1.093 379 D CA -0.171 53.852 54.000 0.039 0.000 0.837 379 D CB 0.168 41.001 40.800 0.056 0.000 0.948 379 D HN 0.419 nan 8.370 nan 0.000 0.507 380 D N 0.585 121.073 120.400 0.146 0.000 2.479 380 D HA 0.150 4.790 4.640 0.000 0.000 0.247 380 D C 1.338 177.801 176.300 0.270 0.000 1.119 380 D CA -0.597 53.519 54.000 0.194 0.000 0.922 380 D CB 1.073 42.005 40.800 0.220 0.000 1.014 380 D HN -0.230 nan 8.370 nan 0.000 0.510 381 R N 2.738 123.352 120.500 0.189 0.000 2.119 381 R HA -0.088 4.252 4.340 0.000 0.000 0.246 381 R C 0.429 176.785 176.300 0.093 0.000 1.146 381 R CA 1.490 57.699 56.100 0.181 0.000 0.962 381 R CB -0.291 30.066 30.300 0.096 0.000 0.863 381 R HN 0.268 nan 8.270 nan 0.000 0.442 382 N N 1.137 119.856 118.700 0.031 0.000 2.389 382 N HA -0.026 4.714 4.740 0.000 0.000 0.237 382 N C 0.525 175.960 175.510 -0.124 0.000 1.148 382 N CA 0.442 53.423 53.050 -0.114 0.000 0.854 382 N CB -0.266 38.182 38.487 -0.064 0.000 1.115 382 N HN 0.492 nan 8.380 nan 0.000 0.492 383 W N 0.907 122.249 121.300 0.069 0.000 2.341 383 W HA -0.174 4.486 4.660 0.000 0.000 0.283 383 W C 0.516 177.080 176.519 0.074 0.000 1.215 383 W CA 0.432 57.828 57.345 0.085 0.000 1.211 383 W CB -0.741 28.804 29.460 0.141 0.000 1.131 383 W HN 0.061 nan 8.180 nan 0.000 0.552 384 E N 1.355 121.050 120.200 -0.841 0.000 2.160 384 E HA -0.159 4.191 4.350 0.000 0.000 0.195 384 E C 2.221 178.694 176.600 -0.212 0.000 0.991 384 E CA 1.721 57.702 56.400 -0.699 0.000 0.810 384 E CB -0.788 28.393 29.700 -0.864 0.000 0.742 384 E HN 0.315 nan 8.360 nan 0.000 0.466 385 L N 0.037 121.168 121.223 -0.153 0.000 2.549 385 L HA -0.047 4.293 4.340 0.000 0.000 0.229 385 L C 0.862 177.736 176.870 0.006 0.000 1.158 385 L CA 0.822 55.626 54.840 -0.061 0.000 0.842 385 L CB -0.123 41.907 42.059 -0.048 0.000 0.952 385 L HN 0.013 nan 8.230 nan 0.000 0.452 386 R N -2.149 118.386 120.500 0.057 0.000 2.688 386 R HA 0.048 4.388 4.340 0.000 0.000 0.396 386 R C 0.677 177.053 176.300 0.127 0.000 1.081 386 R CA -0.270 55.878 56.100 0.079 0.000 1.093 386 R CB 0.206 30.556 30.300 0.084 0.000 1.338 386 R HN -0.032 nan 8.270 nan 0.000 0.613 387 Y N 2.154 122.456 120.300 0.005 0.000 2.114 387 Y HA -0.341 4.209 4.550 0.000 0.000 0.282 387 Y C 2.298 178.155 175.900 -0.072 0.000 1.165 387 Y CA 2.239 60.338 58.100 -0.001 0.000 1.148 387 Y CB -0.304 38.154 38.460 -0.003 0.000 0.972 387 Y HN 0.208 nan 8.280 nan 0.000 0.504 388 S N 0.472 116.004 115.700 -0.280 0.000 2.372 388 S HA -0.320 4.150 4.470 0.000 0.000 0.227 388 S C 2.305 176.730 174.600 -0.293 0.000 1.044 388 S CA 1.696 59.678 58.200 -0.364 0.000 1.050 388 S CB -1.501 61.595 63.200 -0.173 0.000 0.901 388 S HN 0.570 nan 8.310 nan 0.000 0.447 389 A N 1.339 124.063 122.820 -0.160 0.000 2.024 389 A HA 0.000 4.320 4.320 0.000 0.000 0.220 389 A C 2.389 179.888 177.584 -0.140 0.000 1.164 389 A CA 1.859 53.831 52.037 -0.107 0.000 0.643 389 A CB -0.854 18.125 19.000 -0.034 0.000 0.806 389 A HN 0.576 nan 8.150 nan 0.000 0.451 390 S N -0.700 114.869 115.700 -0.218 0.000 2.441 390 S HA 0.229 4.699 4.470 0.000 0.000 0.224 390 S C 2.313 176.576 174.600 -0.562 0.000 1.043 390 S CA 0.616 58.612 58.200 -0.341 0.000 0.948 390 S CB -0.362 62.596 63.200 -0.403 0.000 0.810 390 S HN 0.800 nan 8.310 nan 0.000 0.504 391 A N 2.123 124.527 122.820 -0.695 0.000 1.929 391 A HA -0.232 4.088 4.320 0.000 0.000 0.221 391 A C 2.104 179.547 177.584 -0.235 0.000 1.211 391 A CA 2.018 53.690 52.037 -0.609 0.000 0.657 391 A CB -1.029 17.439 19.000 -0.888 0.000 0.827 391 A HN 0.440 nan 8.150 nan 0.000 0.462 392 L N -0.448 120.662 121.223 -0.189 0.000 2.042 392 L HA -0.175 4.165 4.340 0.000 0.000 0.210 392 L C 2.533 179.408 176.870 0.010 0.000 1.076 392 L CA 2.218 57.016 54.840 -0.069 0.000 0.749 392 L CB -0.432 41.587 42.059 -0.065 0.000 0.893 392 L HN 0.398 nan 8.230 nan 0.000 0.432 393 R N -1.640 118.879 120.500 0.031 0.000 2.066 393 R HA -0.123 4.217 4.340 0.000 0.000 0.232 393 R C 2.228 178.683 176.300 0.259 0.000 1.131 393 R CA 1.453 57.631 56.100 0.131 0.000 0.955 393 R CB -0.574 29.821 30.300 0.159 0.000 0.851 393 R HN 0.258 nan 8.270 nan 0.000 0.432 394 F N 1.526 121.465 119.950 -0.018 0.000 2.095 394 F HA -0.227 4.300 4.527 0.000 0.000 0.298 394 F C 2.231 178.034 175.800 0.006 0.000 1.104 394 F CA 0.843 58.835 58.000 -0.012 0.000 1.232 394 F CB -1.145 37.871 39.000 0.027 0.000 0.987 394 F HN 0.156 nan 8.300 nan 0.000 0.475 395 N N 0.190 119.027 118.700 0.229 0.000 2.142 395 N HA -0.166 4.574 4.740 0.000 0.000 0.186 395 N C 1.918 177.479 175.510 0.085 0.000 1.023 395 N CA 0.693 53.820 53.050 0.129 0.000 0.852 395 N CB -0.129 38.409 38.487 0.086 0.000 0.998 395 N HN 0.081 nan 8.380 nan 0.000 0.424 396 L N 1.252 122.520 121.223 0.076 0.000 2.083 396 L HA -0.099 4.241 4.340 0.000 0.000 0.209 396 L C 2.316 179.214 176.870 0.048 0.000 1.083 396 L CA 1.575 56.445 54.840 0.051 0.000 0.752 396 L CB -0.886 41.199 42.059 0.044 0.000 0.899 396 L HN 0.249 nan 8.230 nan 0.000 0.433 397 S N -1.670 114.064 115.700 0.057 0.000 2.575 397 S HA 0.051 4.521 4.470 0.000 0.000 0.215 397 S C 0.725 175.342 174.600 0.028 0.000 0.966 397 S CA -0.468 57.752 58.200 0.033 0.000 0.911 397 S CB -0.048 63.162 63.200 0.016 0.000 0.780 397 S HN 0.390 nan 8.310 nan 0.000 0.514 398 R N 0.433 120.956 120.500 0.039 0.000 3.525 398 R HA -0.135 4.205 4.340 0.000 0.000 0.276 398 R C 0.382 176.676 176.300 -0.011 0.000 1.116 398 R CA 0.784 56.903 56.100 0.031 0.000 0.745 398 R CB -3.114 27.210 30.300 0.040 0.000 1.185 398 R HN 0.771 nan 8.270 nan 0.000 0.454 399 A N 0.020 122.813 122.820 -0.045 0.000 2.565 399 A HA 0.212 4.532 4.320 0.000 0.000 0.237 399 A C 1.493 178.990 177.584 -0.145 0.000 1.053 399 A CA 0.661 52.599 52.037 -0.164 0.000 0.755 399 A CB 0.563 19.335 19.000 -0.381 0.000 0.980 399 A HN 0.143 nan 8.150 nan 0.000 0.506 400 V N 1.363 121.175 119.914 -0.170 0.000 3.484 400 V HA 0.494 4.614 4.120 0.000 0.000 0.252 400 V C 0.945 176.958 176.094 -0.135 0.000 1.282 400 V CA 1.598 63.821 62.300 -0.129 0.000 1.104 400 V CB 0.116 31.857 31.823 -0.137 0.000 0.868 400 V HN 1.335 nan 8.190 nan 0.000 0.457 401 A N -0.418 122.290 122.820 -0.187 0.000 2.602 401 A HA 0.807 5.127 4.320 0.000 0.000 0.290 401 A C -1.768 175.665 177.584 -0.252 0.000 1.114 401 A CA -0.379 51.559 52.037 -0.164 0.000 0.683 401 A CB 1.875 20.822 19.000 -0.088 0.000 1.281 401 A HN 0.137 nan 8.150 nan 0.000 0.416 402 I N 1.043 121.495 120.570 -0.197 0.000 2.607 402 I HA 0.545 4.715 4.170 0.000 0.000 0.290 402 I C -1.814 174.261 176.117 -0.070 0.000 1.129 402 I CA -0.331 60.822 61.300 -0.245 0.000 1.042 402 I CB 1.787 39.496 38.000 -0.484 0.000 1.242 402 I HN 0.955 nan 8.210 nan 0.000 0.421 406 S N 1.361 117.029 115.700 -0.054 0.000 2.404 406 S HA -0.333 4.137 4.470 0.000 0.000 0.230 406 S C 2.133 176.575 174.600 -0.264 0.000 1.046 406 S CA 2.099 60.287 58.200 -0.020 0.000 1.135 406 S CB -0.673 62.645 63.200 0.195 0.000 1.056 406 S HN 0.463 nan 8.310 nan 0.000 0.426 407 A N 0.844 123.487 122.820 -0.294 0.000 1.986 407 A HA -0.160 4.160 4.320 0.000 0.000 0.220 407 A C 2.313 179.633 177.584 -0.440 0.000 1.171 407 A CA 2.255 53.948 52.037 -0.573 0.000 0.640 407 A CB -1.340 17.520 19.000 -0.233 0.000 0.811 407 A HN 0.571 nan 8.150 nan 0.000 0.451 408 T N 0.380 114.762 114.554 -0.287 0.000 2.701 408 T HA -0.080 4.270 4.350 0.000 0.000 0.263 408 T C 1.799 176.346 174.700 -0.255 0.000 1.040 408 T CA 1.341 63.297 62.100 -0.241 0.000 1.147 408 T CB -0.271 68.477 68.868 -0.201 0.000 0.865 408 T HN 0.315 nan 8.240 nan 0.000 0.426 409 I N 1.907 122.309 120.570 -0.279 0.000 2.208 409 I HA -0.134 4.036 4.170 0.000 0.000 0.245 409 I C 2.902 178.981 176.117 -0.063 0.000 1.097 409 I CA 1.179 62.334 61.300 -0.242 0.000 1.363 409 I CB -1.629 36.212 38.000 -0.264 0.000 1.051 409 I HN 0.198 nan 8.210 nan 0.000 0.413 410 A N 0.834 123.474 122.820 -0.300 0.000 1.873 410 A HA -0.078 4.242 4.320 0.000 0.000 0.215 410 A C 2.584 179.716 177.584 -0.752 0.000 1.186 410 A CA 1.910 53.567 52.037 -0.634 0.000 0.616 410 A CB -0.819 17.646 19.000 -0.892 0.000 0.823 410 A HN 0.401 nan 8.150 nan 0.000 0.442 411 A N -1.208 121.312 122.820 -0.500 0.000 1.933 411 A HA -0.187 4.133 4.320 0.000 0.000 0.218 411 A C 2.136 179.608 177.584 -0.186 0.000 1.175 411 A CA 1.671 53.500 52.037 -0.347 0.000 0.628 411 A CB -0.461 18.369 19.000 -0.283 0.000 0.814 411 A HN 0.502 nan 8.150 nan 0.000 0.444 412 Q N -0.601 119.140 119.800 -0.098 0.000 2.079 412 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 412 Q C 2.262 178.404 176.000 0.237 0.000 0.974 412 Q CA 1.540 57.380 55.803 0.063 0.000 0.840 412 Q CB -0.883 28.002 28.738 0.244 0.000 0.898 412 Q HN 0.659 nan 8.270 nan 0.000 0.430 413 G N -0.149 108.832 108.800 0.302 0.000 2.421 413 G HA2 -0.314 3.646 3.960 0.000 0.000 0.216 413 G HA3 -0.314 3.646 3.960 0.000 0.000 0.216 413 G C 1.397 176.331 174.900 0.057 0.000 1.171 413 G CA 0.882 46.069 45.100 0.145 0.000 0.775 413 G HN 0.428 nan 8.290 nan 0.000 0.543 414 Y N 1.475 121.627 120.300 -0.246 0.000 2.128 414 Y HA -0.132 4.418 4.550 0.000 0.000 0.284 414 Y C 3.054 178.892 175.900 -0.104 0.000 1.154 414 Y CA 2.061 60.119 58.100 -0.069 0.000 1.149 414 Y CB -0.081 38.281 38.460 -0.164 0.000 0.976 414 Y HN 0.038 nan 8.280 nan 0.000 0.505 415 R N -0.907 119.572 120.500 -0.035 0.000 2.081 415 R HA -0.142 4.199 4.340 0.000 0.000 0.235 415 R C 1.205 177.279 176.300 -0.376 0.000 1.131 415 R CA 1.508 57.432 56.100 -0.294 0.000 0.960 415 R CB -0.498 29.454 30.300 -0.580 0.000 0.856 415 R HN 0.340 nan 8.270 nan 0.000 0.436 416 F N 0.443 120.395 119.950 0.004 0.000 2.645 416 F HA 0.231 4.758 4.527 0.000 0.000 0.300 416 F C 0.178 175.832 175.800 -0.243 0.000 1.115 416 F CA -0.582 57.375 58.000 -0.072 0.000 1.355 416 F CB -0.034 39.035 39.000 0.115 0.000 1.026 416 F HN -0.197 nan 8.300 nan 0.000 0.536 417 R N -0.419 120.021 120.500 -0.100 0.000 3.333 417 R HA -0.139 4.201 4.340 0.000 0.000 0.256 417 R C -1.323 174.878 176.300 -0.165 0.000 1.010 417 R CA 0.117 56.135 56.100 -0.136 0.000 0.680 417 R CB -2.547 27.662 30.300 -0.152 0.000 1.102 417 R HN 0.066 nan 8.270 nan 0.000 0.440 418 V N 0.737 120.519 119.914 -0.219 0.000 2.350 418 V HA 0.356 4.476 4.120 0.000 0.000 0.285 418 V C -1.902 173.980 176.094 -0.353 0.000 1.014 418 V CA -2.199 59.834 62.300 -0.445 0.000 0.831 418 V CB 2.168 33.396 31.823 -0.992 0.000 1.000 418 V HN 0.006 nan 8.190 nan 0.000 0.433 419 P HA 0.093 nan 4.420 nan 0.000 0.264 419 P C -1.298 175.887 177.300 -0.192 0.000 1.179 419 P CA 0.544 63.453 63.100 -0.318 0.000 0.763 419 P CB 0.087 31.564 31.700 -0.373 0.000 0.806 420 Y N 0.135 120.406 120.300 -0.049 0.000 2.615 420 Y HA 0.890 5.440 4.550 0.000 0.000 0.341 420 Y C -0.225 175.786 175.900 0.186 0.000 1.089 420 Y CA -1.389 56.782 58.100 0.119 0.000 1.049 420 Y CB 1.114 39.706 38.460 0.221 0.000 1.296 420 Y HN 0.575 nan 8.280 nan 0.000 0.470 421 G N -0.106 108.940 108.800 0.409 0.000 2.673 421 G HA2 0.546 4.506 3.960 0.000 0.000 0.292 421 G HA3 0.546 4.506 3.960 0.000 0.000 0.292 421 G C -1.965 173.144 174.900 0.349 0.000 1.450 421 G CA -1.052 44.239 45.100 0.317 0.000 0.837 421 G HN 0.682 nan 8.290 nan 0.000 0.505 422 T N 0.591 115.333 114.554 0.314 0.000 2.879 422 T HA 0.540 4.890 4.350 0.000 0.000 0.290 422 T C -1.290 173.527 174.700 0.196 0.000 0.993 422 T CA -0.322 61.944 62.100 0.276 0.000 0.975 422 T CB 1.534 70.623 68.868 0.368 0.000 0.981 422 T HN 0.594 nan 8.240 nan 0.000 0.439 423 L N 5.041 126.375 121.223 0.186 0.000 2.427 423 L HA 0.597 4.937 4.340 0.000 0.000 0.264 423 L C -1.326 175.720 176.870 0.294 0.000 0.989 423 L CA -0.416 54.534 54.840 0.185 0.000 0.865 423 L CB 0.521 42.667 42.059 0.144 0.000 1.209 423 L HN 0.590 nan 8.230 nan 0.000 0.430 424 L N 3.202 124.560 121.223 0.225 0.000 2.387 424 L HA 0.602 4.942 4.340 0.000 0.000 0.266 424 L C -0.402 176.559 176.870 0.152 0.000 1.059 424 L CA -0.752 54.232 54.840 0.240 0.000 0.801 424 L CB 1.809 43.961 42.059 0.155 0.000 1.223 424 L HN 0.607 nan 8.230 nan 0.000 0.456 425 C N 1.671 121.046 119.300 0.126 0.000 2.340 425 C HA 0.514 4.974 4.460 0.000 0.000 0.323 425 C C 0.144 175.102 174.990 -0.054 0.000 1.260 425 C CA -0.617 58.386 59.018 -0.025 0.000 1.464 425 C CB 0.773 28.446 27.740 -0.111 0.000 2.156 425 C HN 0.507 nan 8.230 nan 0.000 0.476 426 V N 7.149 126.987 119.914 -0.126 0.000 2.458 426 V HA 0.121 4.241 4.120 0.000 0.000 0.287 426 V C 1.321 177.286 176.094 -0.215 0.000 1.009 426 V CA 1.205 63.425 62.300 -0.133 0.000 1.091 426 V CB 0.783 32.529 31.823 -0.128 0.000 0.960 426 V HN 1.065 nan 8.190 nan 0.000 0.476 427 S N 1.751 117.308 115.700 -0.239 0.000 2.523 427 S HA 0.201 4.671 4.470 0.000 0.000 0.217 427 S C 0.223 174.712 174.600 -0.185 0.000 0.996 427 S CA -0.016 57.974 58.200 -0.350 0.000 0.921 427 S CB 0.142 62.988 63.200 -0.590 0.000 0.829 427 S HN 0.906 nan 8.310 nan 0.000 0.495 428 D N 0.046 120.386 120.400 -0.100 0.000 2.694 428 D HA 0.250 4.890 4.640 0.000 0.000 0.260 428 D C -1.736 174.566 176.300 0.005 0.000 1.250 428 D CA -0.650 53.323 54.000 -0.045 0.000 0.763 428 D CB 0.949 41.734 40.800 -0.025 0.000 1.311 428 D HN 0.037 nan 8.370 nan 0.000 0.420 429 K N 0.800 121.218 120.400 0.029 0.000 2.687 429 K HA 0.320 4.640 4.320 0.000 0.000 0.197 429 K C -2.160 174.496 176.600 0.094 0.000 1.049 429 K CA -1.570 54.775 56.287 0.096 0.000 1.030 429 K CB 2.226 34.786 32.500 0.102 0.000 1.261 429 K HN 0.057 nan 8.250 nan 0.000 0.565 430 P HA -0.180 nan 4.420 nan 0.000 0.216 430 P C 0.802 178.057 177.300 -0.074 0.000 1.150 430 P CA 0.848 63.958 63.100 0.016 0.000 0.843 430 P CB 0.298 32.078 31.700 0.132 0.000 0.787 431 L N -2.655 118.523 121.223 -0.076 0.000 2.509 431 L HA 0.011 4.351 4.340 0.000 0.000 0.222 431 L C 0.675 177.196 176.870 -0.582 0.000 1.123 431 L CA 1.354 55.964 54.840 -0.383 0.000 0.856 431 L CB -1.390 40.390 42.059 -0.464 0.000 0.985 431 L HN 0.095 nan 8.230 nan 0.000 0.456 432 H N -1.303 117.746 119.070 -0.035 0.000 2.534 432 H HA 0.519 5.075 4.556 0.000 0.000 0.250 432 H C 1.024 176.332 175.328 -0.033 0.000 1.256 432 H CA -0.190 55.840 56.048 -0.029 0.000 1.000 432 H CB 0.026 29.776 29.762 -0.019 0.000 1.801 432 H HN 0.073 nan 8.280 nan 0.000 0.569 433 G N 1.578 110.380 108.800 0.005 0.000 2.372 433 G HA2 -0.310 3.650 3.960 0.000 0.000 0.297 433 G HA3 -0.310 3.650 3.960 0.000 0.000 0.297 433 G C 0.067 174.969 174.900 0.003 0.000 1.005 433 G CA 0.349 45.445 45.100 -0.006 0.000 1.173 433 G HN 0.636 nan 8.290 nan 0.000 0.511 434 E N -0.471 119.728 120.200 -0.001 0.000 3.554 434 E HA 0.196 4.546 4.350 0.000 0.000 0.286 434 E C 0.832 177.422 176.600 -0.017 0.000 1.173 434 E CA -0.499 55.896 56.400 -0.007 0.000 1.117 434 E CB 0.432 30.134 29.700 0.003 0.000 1.323 434 E HN 0.542 nan 8.360 nan 0.000 0.394 435 I N 0.222 120.773 120.570 -0.032 0.000 3.244 435 I HA 0.298 4.468 4.170 0.000 0.000 0.314 435 I C 0.911 177.006 176.117 -0.036 0.000 1.043 435 I CA -0.686 60.589 61.300 -0.041 0.000 1.099 435 I CB 0.694 38.655 38.000 -0.066 0.000 1.449 435 I HN -0.013 nan 8.210 nan 0.000 0.625 448 A N 0.449 123.285 122.820 0.027 0.000 2.258 448 A HA 0.337 4.657 4.320 0.000 0.000 0.206 448 A C 2.039 179.696 177.584 0.121 0.000 1.222 448 A CA 0.691 52.765 52.037 0.061 0.000 0.822 448 A CB -0.648 18.369 19.000 0.027 0.000 0.804 448 A HN 0.419 nan 8.150 nan 0.000 0.483 449 I N -0.467 120.128 120.570 0.041 0.000 2.179 449 I HA -0.175 3.995 4.170 0.000 0.000 0.242 449 I C 2.674 178.757 176.117 -0.057 0.000 1.088 449 I CA 1.780 63.012 61.300 -0.114 0.000 1.357 449 I CB -1.549 36.243 38.000 -0.346 0.000 1.051 449 I HN 0.419 nan 8.210 nan 0.000 0.409 450 S N 0.316 115.996 115.700 -0.034 0.000 2.359 450 S HA -0.277 4.193 4.470 0.000 0.000 0.224 450 S C 2.071 176.686 174.600 0.025 0.000 1.035 450 S CA 2.056 60.246 58.200 -0.018 0.000 1.018 450 S CB -0.213 62.981 63.200 -0.010 0.000 0.876 450 S HN 0.533 nan 8.310 nan 0.000 0.448 451 E N -0.412 119.837 120.200 0.081 0.000 2.077 451 E HA -0.247 4.103 4.350 0.000 0.000 0.193 451 E C 2.024 178.714 176.600 0.149 0.000 0.989 451 E CA 1.380 57.843 56.400 0.106 0.000 0.800 451 E CB -0.459 29.335 29.700 0.156 0.000 0.746 451 E HN 0.823 nan 8.360 nan 0.000 0.452 452 H N -0.314 118.835 119.070 0.132 0.000 2.290 452 H HA -0.170 4.386 4.556 0.000 0.000 0.298 452 H C 2.353 177.727 175.328 0.077 0.000 1.087 452 H CA 1.297 57.419 56.048 0.124 0.000 1.291 452 H CB 0.062 30.063 29.762 0.397 0.000 1.369 452 H HN 0.241 nan 8.280 nan 0.000 0.492 453 L N 1.095 122.409 121.223 0.152 0.000 2.131 453 L HA -0.188 4.152 4.340 0.000 0.000 0.210 453 L C 2.259 179.054 176.870 -0.126 0.000 1.092 453 L CA 1.416 56.260 54.840 0.007 0.000 0.759 453 L CB -0.532 41.555 42.059 0.046 0.000 0.903 453 L HN 0.322 nan 8.230 nan 0.000 0.435 454 Q N -0.397 119.329 119.800 -0.123 0.000 2.119 454 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 454 Q C 2.337 178.256 176.000 -0.134 0.000 0.972 454 Q CA 1.811 57.501 55.803 -0.189 0.000 0.847 454 Q CB -0.242 28.419 28.738 -0.128 0.000 0.903 454 Q HN 0.610 nan 8.270 nan 0.000 0.433 455 I N -0.138 120.377 120.570 -0.091 0.000 2.179 455 I HA -0.217 3.953 4.170 0.000 0.000 0.242 455 I C 2.275 178.341 176.117 -0.084 0.000 1.088 455 I CA 1.263 62.504 61.300 -0.099 0.000 1.357 455 I CB -0.721 37.184 38.000 -0.158 0.000 1.051 455 I HN 0.207 nan 8.210 nan 0.000 0.409 456 G N 1.383 110.129 108.800 -0.091 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 1.699 176.552 174.900 -0.078 0.000 1.168 456 G CA 0.743 45.793 45.100 -0.083 0.000 0.771 456 G HN 0.323 nan 8.290 nan 0.000 0.551 457 I N 0.118 120.605 120.570 -0.138 0.000 2.252 457 I HA -0.113 4.057 4.170 0.000 0.000 0.245 457 I C 2.797 178.866 176.117 -0.081 0.000 1.102 457 I CA 1.151 62.360 61.300 -0.152 0.000 1.385 457 I CB -0.145 37.620 38.000 -0.393 0.000 1.064 457 I HN 0.075 nan 8.210 nan 0.000 0.414 458 R N 1.640 122.093 120.500 -0.080 0.000 2.115 458 R HA -0.081 4.259 4.340 0.000 0.000 0.230 458 R C 2.150 178.436 176.300 -0.023 0.000 1.111 458 R CA 1.671 57.748 56.100 -0.037 0.000 0.976 458 R CB -0.621 29.656 30.300 -0.038 0.000 0.870 458 R HN 0.348 nan 8.270 nan 0.000 0.445 459 A N 0.884 123.691 122.820 -0.022 0.000 1.902 459 A HA -0.093 4.227 4.320 0.000 0.000 0.217 459 A C 2.078 179.669 177.584 0.011 0.000 1.181 459 A CA 1.465 53.505 52.037 0.005 0.000 0.623 459 A CB -0.516 18.495 19.000 0.017 0.000 0.818 459 A HN 0.280 nan 8.150 nan 0.000 0.443 460 I N 0.543 121.114 120.570 0.002 0.000 2.127 460 I HA -0.254 3.916 4.170 0.000 0.000 0.241 460 I C 1.998 178.029 176.117 -0.143 0.000 1.075 460 I CA 1.951 63.234 61.300 -0.027 0.000 1.334 460 I CB -1.579 36.408 38.000 -0.023 0.000 1.040 460 I HN 0.296 nan 8.210 nan 0.000 0.405 461 D N 1.035 121.378 120.400 -0.095 0.000 2.106 461 D HA -0.189 4.451 4.640 0.000 0.000 0.191 461 D C 2.415 178.674 176.300 -0.068 0.000 0.997 461 D CA 1.183 55.130 54.000 -0.089 0.000 0.834 461 D CB -0.466 40.326 40.800 -0.013 0.000 0.956 461 D HN 0.284 nan 8.370 nan 0.000 0.448 462 L N 0.110 121.318 121.223 -0.026 0.000 2.042 462 L HA -0.181 4.159 4.340 0.000 0.000 0.210 462 L C 2.593 179.471 176.870 0.014 0.000 1.076 462 L CA 0.798 55.638 54.840 0.001 0.000 0.749 462 L CB -0.378 41.691 42.059 0.018 0.000 0.893 462 L HN 0.070 nan 8.230 nan 0.000 0.432 463 L N -0.881 120.357 121.223 0.024 0.000 2.156 463 L HA -0.158 4.182 4.340 0.000 0.000 0.208 463 L C 2.808 179.741 176.870 0.105 0.000 1.095 463 L CA 0.857 55.750 54.840 0.090 0.000 0.770 463 L CB -0.460 41.697 42.059 0.162 0.000 0.914 463 L HN 0.244 nan 8.230 nan 0.000 0.439 464 R N 0.475 120.932 120.500 -0.071 0.000 2.075 464 R HA -0.140 4.200 4.340 0.000 0.000 0.232 464 R C 2.266 178.572 176.300 0.010 0.000 1.126 464 R CA 1.373 57.396 56.100 -0.128 0.000 0.963 464 R CB -0.138 29.852 30.300 -0.517 0.000 0.858 464 R HN 0.323 nan 8.270 nan 0.000 0.435 465 A N 0.566 123.380 122.820 -0.010 0.000 1.968 465 A HA -0.144 4.176 4.320 0.000 0.000 0.217 465 A C 1.850 179.459 177.584 0.043 0.000 1.169 465 A CA 1.344 53.389 52.037 0.014 0.000 0.638 465 A CB -0.337 18.665 19.000 0.002 0.000 0.812 465 A HN 0.432 nan 8.150 nan 0.000 0.446 466 E N -0.489 119.746 120.200 0.058 0.000 2.273 466 E HA 0.052 4.402 4.350 0.000 0.000 0.198 466 E C 1.370 178.024 176.600 0.089 0.000 1.002 466 E CA 1.233 57.677 56.400 0.073 0.000 0.828 466 E CB -0.454 29.299 29.700 0.089 0.000 0.747 466 E HN 0.782 nan 8.360 nan 0.000 0.491 467 G N -0.048 108.819 108.800 0.111 0.000 2.557 467 G HA2 -0.393 3.567 3.960 0.000 0.000 0.292 467 G HA3 -0.393 3.567 3.960 0.000 0.000 0.292 467 G C 0.717 175.705 174.900 0.147 0.000 1.162 467 G CA 0.319 45.489 45.100 0.116 0.000 0.964 467 G HN 0.364 nan 8.290 nan 0.000 0.541 468 D N 0.751 121.225 120.400 0.123 0.000 2.354 468 D HA 0.093 4.733 4.640 0.000 0.000 0.209 468 D C 2.564 178.958 176.300 0.156 0.000 1.015 468 D CA 0.300 54.393 54.000 0.155 0.000 0.867 468 D CB 0.050 40.910 40.800 0.100 0.000 0.933 468 D HN 0.260 nan 8.370 nan 0.000 0.520 469 R N 0.852 121.417 120.500 0.109 0.000 2.249 469 R HA -0.108 4.232 4.340 0.000 0.000 0.230 469 R C 1.992 178.358 176.300 0.110 0.000 1.121 469 R CA 0.190 56.341 56.100 0.085 0.000 0.997 469 R CB -0.602 29.733 30.300 0.059 0.000 0.867 469 R HN 0.168 nan 8.270 nan 0.000 0.465 470 L N -0.232 121.092 121.223 0.168 0.000 1.989 470 L HA -0.111 4.229 4.340 0.000 0.000 0.211 470 L C 0.008 176.954 176.870 0.125 0.000 1.071 470 L CA 1.783 56.722 54.840 0.165 0.000 0.749 470 L CB -0.442 41.776 42.059 0.265 0.000 0.890 470 L HN 0.151 nan 8.230 nan 0.000 0.431 471 H N -0.370 118.760 119.070 0.100 0.000 2.690 471 H HA 0.499 5.055 4.556 0.000 0.000 0.314 471 H C 0.455 175.825 175.328 0.069 0.000 1.069 471 H CA 0.142 56.260 56.048 0.117 0.000 1.436 471 H CB 0.713 30.653 29.762 0.296 0.000 1.462 471 H HN 0.429 nan 8.280 nan 0.000 0.511 472 S N 2.191 117.947 115.700 0.094 0.000 2.841 472 S HA 0.472 4.942 4.470 0.000 0.000 0.318 472 S C 0.747 175.364 174.600 0.029 0.000 1.127 472 S CA -1.076 57.148 58.200 0.039 0.000 0.883 472 S CB 1.830 65.030 63.200 -0.000 0.000 1.271 472 S HN 0.642 nan 8.310 nan 0.000 0.567 473 R N 0.190 120.688 120.500 -0.003 0.000 2.334 473 R HA 0.264 4.604 4.340 0.000 0.000 0.216 473 R C 1.457 177.740 176.300 -0.029 0.000 0.905 473 R CA -0.042 56.047 56.100 -0.019 0.000 1.064 473 R CB -0.115 30.161 30.300 -0.040 0.000 1.046 473 R HN 0.584 nan 8.270 nan 0.000 0.508 474 K N 0.663 121.052 120.400 -0.018 0.000 2.281 474 K HA -0.100 4.220 4.320 0.000 0.000 0.203 474 K C 1.284 177.872 176.600 -0.021 0.000 1.046 474 K CA 1.026 57.311 56.287 -0.003 0.000 0.938 474 K CB 0.079 32.587 32.500 0.013 0.000 0.737 474 K HN 0.234 nan 8.250 nan 0.000 0.458 475 L N 0.147 121.335 121.223 -0.059 0.000 2.640 475 L HA 0.125 4.465 4.340 0.000 0.000 0.230 475 L C 0.458 177.244 176.870 -0.139 0.000 1.123 475 L CA -0.264 54.487 54.840 -0.147 0.000 0.900 475 L CB 0.116 42.105 42.059 -0.117 0.000 1.146 475 L HN 0.007 nan 8.230 nan 0.000 0.484 476 R N 0.469 120.925 120.500 -0.073 0.000 2.537 476 R HA 0.167 4.507 4.340 0.000 0.000 0.280 476 R C 0.154 176.414 176.300 -0.067 0.000 1.058 476 R CA 0.231 56.300 56.100 -0.050 0.000 1.057 476 R CB 0.787 31.056 30.300 -0.052 0.000 0.973 476 R HN -0.089 nan 8.270 nan 0.000 0.438 477 T N 1.481 116.030 114.554 -0.009 0.000 2.912 477 T HA 0.199 4.549 4.350 0.000 0.000 0.280 477 T C 0.967 175.719 174.700 0.086 0.000 0.989 477 T CA -0.544 61.602 62.100 0.077 0.000 0.995 477 T CB 0.470 69.400 68.868 0.103 0.000 1.077 477 T HN 0.350 nan 8.240 nan 0.000 0.531 478 F N 1.326 121.295 119.950 0.033 0.000 2.186 478 F HA 0.009 4.536 4.527 0.000 0.000 0.299 478 F C 1.926 177.767 175.800 0.069 0.000 1.090 478 F CA 0.907 58.938 58.000 0.051 0.000 1.307 478 F CB -0.397 38.634 39.000 0.052 0.000 1.019 478 F HN 0.560 nan 8.300 nan 0.000 0.489 479 N N -0.424 118.431 118.700 0.259 0.000 2.320 479 N HA 0.060 4.800 4.740 0.000 0.000 0.237 479 N C -0.273 175.306 175.510 0.115 0.000 1.129 479 N CA -0.200 52.963 53.050 0.188 0.000 0.854 479 N CB -0.374 38.208 38.487 0.159 0.000 1.083 479 N HN -0.028 nan 8.380 nan 0.000 0.504 480 E N 1.714 121.963 120.200 0.081 0.000 2.558 480 E HA 0.080 4.430 4.350 0.000 0.000 0.255 480 E C -2.163 174.407 176.600 -0.050 0.000 0.968 480 E CA -1.335 55.080 56.400 0.025 0.000 0.939 480 E CB 0.312 30.024 29.700 0.019 0.000 0.921 480 E HN 0.287 nan 8.360 nan 0.000 0.477 481 P HA 0.067 nan 4.420 nan 0.000 0.271 481 P C -2.213 174.925 177.300 -0.271 0.000 1.218 481 P CA -1.023 61.923 63.100 -0.256 0.000 0.780 481 P CB 0.578 31.978 31.700 -0.501 0.000 0.901 482 P HA -0.123 nan 4.420 nan 0.000 0.215 482 P C 0.181 177.419 177.300 -0.103 0.000 1.153 482 P CA 1.228 64.047 63.100 -0.469 0.000 0.853 482 P CB -0.114 31.069 31.700 -0.862 0.000 0.788 483 F N 0.180 119.950 119.950 -0.299 0.000 2.529 483 F HA 0.113 4.640 4.527 0.000 0.000 0.365 483 F C 1.693 177.484 175.800 -0.015 0.000 1.102 483 F CA -1.086 56.811 58.000 -0.171 0.000 1.271 483 F CB -0.673 38.267 39.000 -0.099 0.000 1.120 483 F HN -0.171 nan 8.300 nan 0.000 0.579 484 R N 0.000 120.570 120.500 0.117 0.000 2.786 484 R HA 0.000 4.340 4.340 0.000 0.000 0.208 484 R CA 0.000 56.139 56.100 0.064 0.000 0.921 484 R CB 0.000 29.962 30.300 -0.564 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535