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 1t8y_1_C DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI DGSELTLDRS XSAGLTRYFP TTELXXXXXX 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 DKPLHGEIKL PGQANRFYEG 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 0.000 176.845 176.870 -0.041 0.000 1.165 8 L CA 0.000 54.852 54.840 0.019 0.000 0.813 8 L CB 0.000 42.028 42.059 -0.052 0.000 0.961 9 T N 1.370 115.841 114.554 -0.138 0.000 2.952 9 T HA 0.712 5.062 4.350 -0.000 0.000 0.286 9 T C -2.294 172.184 174.700 -0.370 0.000 1.024 9 T CA -1.653 60.180 62.100 -0.445 0.000 1.029 9 T CB 1.831 70.486 68.868 -0.355 0.000 1.094 9 T HN 0.473 nan 8.240 nan 0.000 0.515 10 P HA -0.177 nan 4.420 nan 0.000 0.209 10 P C 1.791 179.004 177.300 -0.146 0.000 1.167 10 P CA 2.301 65.245 63.100 -0.260 0.000 0.941 10 P CB -0.478 31.073 31.700 -0.248 0.000 0.787 11 A N -0.739 122.007 122.820 -0.123 0.000 1.927 11 A HA -0.349 3.971 4.320 -0.000 0.000 0.220 11 A C 2.242 179.797 177.584 -0.049 0.000 1.185 11 A CA 2.301 54.299 52.037 -0.065 0.000 0.639 11 A CB -1.553 17.419 19.000 -0.047 0.000 0.820 11 A HN 0.301 nan 8.150 nan 0.000 0.451 12 Q N -0.890 118.873 119.800 -0.063 0.000 2.050 12 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 12 Q C 2.525 178.510 176.000 -0.025 0.000 0.980 12 Q CA 1.391 57.173 55.803 -0.035 0.000 0.840 12 Q CB -0.440 28.276 28.738 -0.037 0.000 0.898 12 Q HN 0.693 nan 8.270 nan 0.000 0.424 13 A N 1.231 124.024 122.820 -0.045 0.000 1.892 13 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 13 A C 2.137 179.724 177.584 0.004 0.000 1.188 13 A CA 1.352 53.376 52.037 -0.021 0.000 0.631 13 A CB -0.876 18.104 19.000 -0.033 0.000 0.822 13 A HN 0.299 nan 8.150 nan 0.000 0.447 14 L N -0.518 120.701 121.223 -0.006 0.000 2.042 14 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 14 L C 2.165 179.052 176.870 0.028 0.000 1.076 14 L CA 1.637 56.484 54.840 0.012 0.000 0.749 14 L CB -0.675 41.383 42.059 -0.001 0.000 0.893 14 L HN 0.374 nan 8.230 nan 0.000 0.432 15 D N -0.162 120.251 120.400 0.021 0.000 2.117 15 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 15 D C 2.102 178.429 176.300 0.045 0.000 0.982 15 D CA 1.109 55.128 54.000 0.032 0.000 0.828 15 D CB -0.020 40.793 40.800 0.022 0.000 0.967 15 D HN 0.246 nan 8.370 nan 0.000 0.464 16 K N 0.574 120.998 120.400 0.040 0.000 2.148 16 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 16 K C 2.272 178.917 176.600 0.075 0.000 1.050 16 K CA 0.465 56.782 56.287 0.051 0.000 0.942 16 K CB -0.005 32.520 32.500 0.041 0.000 0.724 16 K HN 0.063 nan 8.250 nan 0.000 0.446 17 L N 0.811 122.079 121.223 0.076 0.000 2.005 17 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 17 L C 2.189 179.143 176.870 0.141 0.000 1.072 17 L CA 1.318 56.219 54.840 0.103 0.000 0.744 17 L CB -0.580 41.525 42.059 0.076 0.000 0.895 17 L HN 0.271 nan 8.230 nan 0.000 0.433 18 D N 0.179 120.647 120.400 0.114 0.000 2.127 18 D HA -0.258 4.382 4.640 -0.000 0.000 0.190 18 D C 2.062 178.458 176.300 0.161 0.000 1.000 18 D CA 1.865 55.949 54.000 0.140 0.000 0.839 18 D CB -0.017 40.839 40.800 0.093 0.000 0.955 18 D HN 0.360 nan 8.370 nan 0.000 0.446 19 A N 1.212 124.099 122.820 0.111 0.000 1.837 19 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 19 A C 2.554 180.200 177.584 0.105 0.000 1.210 19 A CA 1.445 53.537 52.037 0.091 0.000 0.632 19 A CB -1.196 17.844 19.000 0.067 0.000 0.843 19 A HN 0.261 nan 8.150 nan 0.000 0.448 20 L N -2.097 119.194 121.223 0.113 0.000 2.064 20 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 20 L C 2.602 179.560 176.870 0.146 0.000 1.077 20 L CA 2.259 57.170 54.840 0.118 0.000 0.766 20 L CB -0.587 41.548 42.059 0.128 0.000 0.890 20 L HN 0.661 nan 8.230 nan 0.000 0.435 21 Y N 0.951 121.294 120.300 0.072 0.000 2.070 21 Y HA -0.273 4.277 4.550 -0.001 0.000 0.279 21 Y C 2.670 178.601 175.900 0.052 0.000 1.134 21 Y CA 1.794 59.939 58.100 0.074 0.000 1.113 21 Y CB -0.314 38.202 38.460 0.094 0.000 0.981 21 Y HN 0.156 nan 8.280 nan 0.000 0.487 22 E N 0.422 120.633 120.200 0.019 0.000 2.086 22 E HA -0.351 3.999 4.350 -0.000 0.000 0.200 22 E C 2.154 178.699 176.600 -0.091 0.000 1.012 22 E CA 1.798 58.156 56.400 -0.070 0.000 0.812 22 E CB -0.738 28.985 29.700 0.038 0.000 0.743 22 E HN 0.675 nan 8.360 nan 0.000 0.453 23 Q N 0.457 120.241 119.800 -0.026 0.000 2.014 23 Q HA -0.163 4.176 4.340 -0.000 0.000 0.207 23 Q C 2.395 178.382 176.000 -0.022 0.000 0.993 23 Q CA 2.123 57.920 55.803 -0.009 0.000 0.850 23 Q CB -0.001 28.748 28.738 0.019 0.000 0.916 23 Q HN 0.155 nan 8.270 nan 0.000 0.417 24 S N -0.132 115.543 115.700 -0.042 0.000 2.348 24 S HA -0.159 4.311 4.470 -0.000 0.000 0.221 24 S C 1.894 176.458 174.600 -0.061 0.000 1.033 24 S CA 1.241 59.434 58.200 -0.012 0.000 1.010 24 S CB -0.566 62.616 63.200 -0.031 0.000 0.891 24 S HN 0.470 nan 8.310 nan 0.000 0.442 25 V N 1.908 121.670 119.914 -0.254 0.000 2.287 25 V HA -0.143 3.976 4.120 -0.000 0.000 0.248 25 V C 2.026 178.046 176.094 -0.124 0.000 1.053 25 V CA 1.952 64.098 62.300 -0.256 0.000 1.027 25 V CB -0.612 30.956 31.823 -0.425 0.000 0.646 25 V HN 0.368 nan 8.190 nan 0.000 0.447 26 V N 0.851 120.709 119.914 -0.092 0.000 2.343 26 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 26 V C 2.992 179.095 176.094 0.015 0.000 1.051 26 V CA 2.230 64.508 62.300 -0.037 0.000 1.036 26 V CB -1.418 30.391 31.823 -0.024 0.000 0.654 26 V HN 0.707 nan 8.190 nan 0.000 0.451 27 A N -0.714 122.145 122.820 0.064 0.000 1.940 27 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 27 A C 2.284 180.039 177.584 0.286 0.000 1.176 27 A CA 2.019 54.159 52.037 0.172 0.000 0.631 27 A CB -0.487 18.630 19.000 0.195 0.000 0.814 27 A HN 0.490 nan 8.150 nan 0.000 0.446 28 L N -1.269 120.045 121.223 0.150 0.000 2.072 28 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 28 L C 2.822 179.581 176.870 -0.185 0.000 1.079 28 L CA 1.145 55.860 54.840 -0.208 0.000 0.752 28 L CB -0.320 41.492 42.059 -0.412 0.000 0.906 28 L HN 0.377 nan 8.230 nan 0.000 0.436 29 R N -0.258 120.173 120.500 -0.115 0.000 2.091 29 R HA -0.239 4.100 4.340 -0.000 0.000 0.238 29 R C 2.013 178.270 176.300 -0.072 0.000 1.136 29 R CA 1.960 57.995 56.100 -0.109 0.000 0.959 29 R CB -0.427 29.830 30.300 -0.072 0.000 0.856 29 R HN 0.397 nan 8.270 nan 0.000 0.437 30 N N 0.385 119.080 118.700 -0.009 0.000 2.039 30 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 30 N C 1.660 177.203 175.510 0.056 0.000 1.044 30 N CA 1.840 54.908 53.050 0.030 0.000 0.847 30 N CB -0.250 38.276 38.487 0.064 0.000 1.030 30 N HN 0.233 nan 8.380 nan 0.000 0.422 31 A N 0.647 123.541 122.820 0.123 0.000 1.903 31 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 31 A C 2.327 179.965 177.584 0.090 0.000 1.191 31 A CA 1.597 53.776 52.037 0.236 0.000 0.638 31 A CB -1.006 18.286 19.000 0.487 0.000 0.823 31 A HN 0.435 nan 8.150 nan 0.000 0.451 32 I N -0.659 119.771 120.570 -0.233 0.000 2.226 32 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 32 I C 2.713 178.747 176.117 -0.140 0.000 1.100 32 I CA 1.079 62.105 61.300 -0.457 0.000 1.374 32 I CB -0.700 36.968 38.000 -0.552 0.000 1.057 32 I HN 0.419 nan 8.210 nan 0.000 0.413 33 G N 0.892 109.648 108.800 -0.072 0.000 2.433 33 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 33 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 33 G C 1.351 176.266 174.900 0.025 0.000 1.186 33 G CA 0.889 45.975 45.100 -0.023 0.000 0.779 33 G HN 0.305 nan 8.290 nan 0.000 0.543 34 N N -0.490 118.245 118.700 0.059 0.000 2.137 34 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 34 N C 1.690 177.267 175.510 0.111 0.000 1.017 34 N CA 1.266 54.365 53.050 0.081 0.000 0.859 34 N CB -0.423 38.132 38.487 0.112 0.000 1.002 34 N HN 0.556 nan 8.380 nan 0.000 0.428 35 Y N 0.813 121.145 120.300 0.053 0.000 2.206 35 Y HA 0.085 4.635 4.550 -0.001 0.000 0.292 35 Y C 2.009 177.921 175.900 0.019 0.000 1.123 35 Y CA 1.080 59.229 58.100 0.082 0.000 1.142 35 Y CB -0.220 38.372 38.460 0.219 0.000 1.006 35 Y HN -0.039 nan 8.280 nan 0.000 0.518 36 I N 0.131 120.769 120.570 0.113 0.000 2.163 36 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 36 I C 2.505 178.578 176.117 -0.075 0.000 1.085 36 I CA 2.112 63.416 61.300 0.007 0.000 1.347 36 I CB -0.801 37.210 38.000 0.019 0.000 1.044 36 I HN 0.433 nan 8.210 nan 0.000 0.408 37 T N -2.050 112.474 114.554 -0.050 0.000 2.732 37 T HA -0.101 4.249 4.350 -0.000 0.000 0.261 37 T C 1.838 176.491 174.700 -0.078 0.000 1.040 37 T CA 1.411 63.479 62.100 -0.053 0.000 1.145 37 T CB -0.488 68.363 68.868 -0.029 0.000 0.866 37 T HN 0.427 nan 8.240 nan 0.000 0.427 38 S N -0.121 115.528 115.700 -0.085 0.000 2.506 38 S HA 0.507 4.976 4.470 -0.000 0.000 0.219 38 S C 1.812 176.315 174.600 -0.161 0.000 1.031 38 S CA 0.452 58.595 58.200 -0.095 0.000 0.911 38 S CB 0.011 63.179 63.200 -0.053 0.000 0.812 38 S HN 1.455 nan 8.310 nan 0.000 0.497 39 G N 1.431 110.070 108.800 -0.268 0.000 2.130 39 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 39 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 39 G C -0.275 174.499 174.900 -0.210 0.000 0.999 39 G CA 0.145 44.960 45.100 -0.475 0.000 0.686 39 G HN 0.728 nan 8.290 nan 0.000 0.515 40 E N -0.114 120.061 120.200 -0.042 0.000 2.354 40 E HA 0.526 4.876 4.350 -0.000 0.000 0.269 40 E C -0.133 176.579 176.600 0.186 0.000 1.036 40 E CA -0.658 55.772 56.400 0.050 0.000 0.876 40 E CB 0.413 30.143 29.700 0.050 0.000 1.009 40 E HN 0.125 nan 8.360 nan 0.000 0.416 41 L N 5.151 126.419 121.223 0.074 0.000 2.334 41 L HA 0.455 4.795 4.340 -0.000 0.000 0.272 41 L C -2.113 174.768 176.870 0.017 0.000 1.020 41 L CA -1.944 52.901 54.840 0.007 0.000 0.812 41 L CB 0.970 42.916 42.059 -0.188 0.000 1.264 41 L HN 0.577 nan 8.230 nan 0.000 0.439 42 P HA 0.178 nan 4.420 nan 0.000 0.274 42 P C -1.374 175.913 177.300 -0.020 0.000 1.231 42 P CA -0.547 62.593 63.100 0.066 0.000 0.790 42 P CB 0.368 32.191 31.700 0.205 0.000 0.951 43 D N 2.348 122.727 120.400 -0.035 0.000 2.325 43 D HA -0.016 4.624 4.640 -0.000 0.000 0.251 43 D C 0.531 176.789 176.300 -0.070 0.000 1.196 43 D CA -0.282 53.688 54.000 -0.050 0.000 0.866 43 D CB 0.900 41.674 40.800 -0.044 0.000 1.101 43 D HN 0.201 nan 8.370 nan 0.000 0.476 44 E N 2.817 122.984 120.200 -0.055 0.000 2.253 44 E HA -0.273 4.077 4.350 -0.000 0.000 0.202 44 E C 1.309 177.872 176.600 -0.062 0.000 1.014 44 E CA 1.053 57.422 56.400 -0.051 0.000 0.823 44 E CB -0.225 29.457 29.700 -0.030 0.000 0.736 44 E HN 0.660 nan 8.360 nan 0.000 0.478 45 N N 0.432 119.097 118.700 -0.059 0.000 2.135 45 N HA -0.086 4.653 4.740 -0.000 0.000 0.186 45 N C 1.644 177.106 175.510 -0.078 0.000 1.027 45 N CA 1.684 54.700 53.050 -0.056 0.000 0.849 45 N CB -0.191 38.270 38.487 -0.043 0.000 1.002 45 N HN 0.132 nan 8.380 nan 0.000 0.425 46 A N 0.511 123.270 122.820 -0.102 0.000 1.972 46 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 46 A C 2.182 179.646 177.584 -0.201 0.000 1.169 46 A CA 1.054 53.010 52.037 -0.135 0.000 0.635 46 A CB -0.408 18.504 19.000 -0.146 0.000 0.810 46 A HN 0.326 nan 8.150 nan 0.000 0.446 47 R N -0.396 119.962 120.500 -0.236 0.000 2.066 47 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 47 R C 1.948 178.165 176.300 -0.137 0.000 1.131 47 R CA 1.260 57.195 56.100 -0.276 0.000 0.955 47 R CB -0.238 29.935 30.300 -0.213 0.000 0.851 47 R HN 0.242 nan 8.270 nan 0.000 0.432 48 K N 0.748 121.094 120.400 -0.089 0.000 2.152 48 K HA -0.195 4.124 4.320 -0.000 0.000 0.206 48 K C 1.973 178.542 176.600 -0.051 0.000 1.048 48 K CA 1.252 57.507 56.287 -0.054 0.000 0.933 48 K CB -0.122 32.353 32.500 -0.042 0.000 0.721 48 K HN 0.087 nan 8.250 nan 0.000 0.447 49 Q N -0.052 119.709 119.800 -0.066 0.000 2.436 49 Q HA -0.018 4.322 4.340 -0.000 0.000 0.209 49 Q C 0.318 176.290 176.000 -0.046 0.000 0.965 49 Q CA 1.037 56.809 55.803 -0.051 0.000 0.910 49 Q CB 0.166 28.871 28.738 -0.056 0.000 0.980 49 Q HN 0.458 nan 8.270 nan 0.000 0.491 50 G N -0.378 108.383 108.800 -0.064 0.000 2.237 50 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.153 50 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.153 50 G C 0.279 175.138 174.900 -0.068 0.000 1.039 50 G CA 0.201 45.279 45.100 -0.037 0.000 0.719 50 G HN 0.341 nan 8.290 nan 0.000 0.491 51 L N -0.869 120.241 121.223 -0.189 0.000 2.005 51 L HA 0.196 4.536 4.340 -0.000 0.000 0.207 51 L C 2.326 179.099 176.870 -0.163 0.000 1.072 51 L CA 1.897 56.552 54.840 -0.308 0.000 0.744 51 L CB -0.106 41.539 42.059 -0.689 0.000 0.895 51 L HN 0.438 nan 8.230 nan 0.000 0.433 52 F N -1.535 118.424 119.950 0.015 0.000 2.695 52 F HA 0.130 4.657 4.527 -0.000 0.000 0.303 52 F C 0.937 176.719 175.800 -0.029 0.000 1.091 52 F CA -0.920 57.077 58.000 -0.005 0.000 1.300 52 F CB 0.398 39.420 39.000 0.038 0.000 1.071 52 F HN -0.215 nan 8.300 nan 0.000 0.578 53 V N 0.915 120.923 119.914 0.156 0.000 2.999 53 V HA -0.142 3.978 4.120 -0.000 0.000 0.307 53 V C 0.088 176.282 176.094 0.167 0.000 1.084 53 V CA -0.214 62.185 62.300 0.165 0.000 1.155 53 V CB 0.185 32.091 31.823 0.138 0.000 0.975 53 V HN 0.063 nan 8.190 nan 0.000 0.490 54 Y N 4.309 124.731 120.300 0.205 0.000 2.300 54 Y HA 0.311 4.861 4.550 -0.001 0.000 0.328 54 Y C -1.716 174.295 175.900 0.184 0.000 1.270 54 Y CA -1.858 56.380 58.100 0.230 0.000 1.352 54 Y CB 0.256 38.841 38.460 0.209 0.000 1.286 54 Y HN 0.475 nan 8.280 nan 0.000 0.536 55 P HA 0.088 nan 4.420 nan 0.000 0.274 55 P C -1.059 176.355 177.300 0.189 0.000 1.256 55 P CA -0.383 62.855 63.100 0.230 0.000 0.795 55 P CB 0.816 32.640 31.700 0.206 0.000 1.038 56 S N 1.019 116.799 115.700 0.133 0.000 2.707 56 S HA 0.501 4.971 4.470 -0.000 0.000 0.303 56 S C -1.236 173.407 174.600 0.072 0.000 1.132 56 S CA -0.636 57.624 58.200 0.100 0.000 1.046 56 S CB -0.254 63.008 63.200 0.103 0.000 1.004 56 S HN 0.286 nan 8.310 nan 0.000 0.483 57 L N 5.699 126.955 121.223 0.054 0.000 2.275 57 L HA 0.717 5.056 4.340 -0.000 0.000 0.288 57 L C -0.469 176.420 176.870 0.032 0.000 1.046 57 L CA 0.587 55.457 54.840 0.050 0.000 0.805 57 L CB 1.214 43.315 42.059 0.070 0.000 1.193 57 L HN 0.660 nan 8.230 nan 0.000 0.426 58 T N 4.471 119.050 114.554 0.042 0.000 2.861 58 T HA 0.705 5.054 4.350 -0.000 0.000 0.287 58 T C -0.932 173.816 174.700 0.079 0.000 1.003 58 T CA -0.487 61.648 62.100 0.059 0.000 0.977 58 T CB 1.739 70.649 68.868 0.071 0.000 0.996 58 T HN 0.355 nan 8.240 nan 0.000 0.448 59 V N 2.855 122.851 119.914 0.137 0.000 2.588 59 V HA 0.669 4.789 4.120 -0.000 0.000 0.304 59 V C -0.152 176.118 176.094 0.292 0.000 1.042 59 V CA -0.683 61.739 62.300 0.203 0.000 0.877 59 V CB 2.264 34.222 31.823 0.225 0.000 0.996 59 V HN 1.024 nan 8.190 nan 0.000 0.425 60 T N 3.205 117.919 114.554 0.267 0.000 2.908 60 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 60 T C -1.645 173.172 174.700 0.195 0.000 1.034 60 T CA -0.423 61.822 62.100 0.241 0.000 1.010 60 T CB 1.889 70.890 68.868 0.221 0.000 1.068 60 T HN 0.671 nan 8.240 nan 0.000 0.481 61 W N 3.805 124.996 121.300 -0.183 0.000 2.900 61 W HA 0.360 5.020 4.660 -0.000 0.000 0.336 61 W C 0.403 176.829 176.519 -0.155 0.000 1.064 61 W CA -1.474 55.681 57.345 -0.317 0.000 1.237 61 W CB 1.235 30.137 29.460 -0.930 0.000 1.391 61 W HN 0.785 nan 8.180 nan 0.000 0.468 62 D N 2.614 122.768 120.400 -0.410 0.000 2.348 62 D HA 0.023 4.663 4.640 -0.000 0.000 0.216 62 D C 1.459 177.315 176.300 -0.740 0.000 0.970 62 D CA 0.985 54.725 54.000 -0.434 0.000 0.889 62 D CB -0.209 40.410 40.800 -0.302 0.000 0.912 62 D HN 0.898 nan 8.370 nan 0.000 0.524 63 G N 0.642 108.448 108.800 -1.657 0.000 2.160 63 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 63 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 63 G C 0.090 174.262 174.900 -1.213 0.000 1.022 63 G CA 0.397 44.315 45.100 -1.970 0.000 0.741 63 G HN 0.935 nan 8.290 nan 0.000 0.508 64 S N -0.875 114.275 115.700 -0.916 0.000 2.721 64 S HA 0.736 5.205 4.470 -0.000 0.000 0.264 64 S C -0.591 173.982 174.600 -0.045 0.000 1.161 64 S CA 0.136 58.151 58.200 -0.309 0.000 1.113 64 S CB 2.239 65.303 63.200 -0.227 0.000 1.079 64 S HN 0.708 nan 8.310 nan 0.000 0.479 65 T N 2.258 116.906 114.554 0.157 0.000 2.912 65 T HA 0.470 4.820 4.350 -0.000 0.000 0.299 65 T C 1.509 176.271 174.700 0.103 0.000 1.052 65 T CA -0.385 61.828 62.100 0.187 0.000 0.996 65 T CB 1.887 70.944 68.868 0.315 0.000 1.070 65 T HN 0.709 nan 8.240 nan 0.000 0.465 66 T N 0.103 114.683 114.554 0.043 0.000 2.708 66 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 66 T C 0.881 175.587 174.700 0.011 0.000 1.037 66 T CA 1.072 63.184 62.100 0.020 0.000 1.146 66 T CB -0.261 68.608 68.868 0.002 0.000 0.865 66 T HN 0.689 nan 8.240 nan 0.000 0.435 67 N N 1.495 120.185 118.700 -0.016 0.000 2.813 67 N HA 0.335 5.075 4.740 -0.000 0.000 0.282 67 N C -3.504 171.949 175.510 -0.094 0.000 1.748 67 N CA -1.647 51.380 53.050 -0.039 0.000 0.860 67 N CB 0.700 39.159 38.487 -0.046 0.000 1.204 67 N HN 0.198 nan 8.380 nan 0.000 0.490 68 P HA 0.238 nan 4.420 nan 0.000 0.267 68 P C -2.435 174.772 177.300 -0.156 0.000 1.209 68 P CA -0.532 62.454 63.100 -0.191 0.000 0.763 68 P CB 0.094 31.827 31.700 0.055 0.000 0.816 69 P HA 0.028 nan 4.420 nan 0.000 0.262 69 P C 0.438 177.705 177.300 -0.056 0.000 1.199 69 P CA 0.349 63.367 63.100 -0.136 0.000 0.763 69 P CB 0.419 32.023 31.700 -0.159 0.000 0.790 70 K N 1.368 121.739 120.400 -0.047 0.000 2.402 70 K HA 0.145 4.464 4.320 -0.000 0.000 0.204 70 K C 1.032 177.605 176.600 -0.045 0.000 1.056 70 K CA 0.450 56.723 56.287 -0.025 0.000 1.069 70 K CB 0.330 32.828 32.500 -0.005 0.000 0.888 70 K HN 0.292 nan 8.250 nan 0.000 0.546 71 T N 0.283 114.798 114.554 -0.065 0.000 3.034 71 T HA 0.091 4.441 4.350 -0.000 0.000 0.248 71 T C 0.901 175.539 174.700 -0.104 0.000 1.040 71 T CA -0.112 61.946 62.100 -0.070 0.000 1.107 71 T CB 0.537 69.367 68.868 -0.062 0.000 0.932 71 T HN 0.108 nan 8.240 nan 0.000 0.474 72 R N 1.131 121.540 120.500 -0.151 0.000 2.698 72 R HA 0.243 4.582 4.340 -0.000 0.000 0.266 72 R C 1.277 177.436 176.300 -0.235 0.000 1.026 72 R CA 0.346 56.292 56.100 -0.257 0.000 1.102 72 R CB 0.271 30.359 30.300 -0.354 0.000 0.978 72 R HN 0.216 nan 8.270 nan 0.000 0.436 73 A N 4.767 127.428 122.820 -0.263 0.000 2.021 73 A HA 0.084 4.403 4.320 -0.000 0.000 0.216 73 A C 0.175 177.762 177.584 0.005 0.000 1.163 73 A CA 0.666 52.661 52.037 -0.069 0.000 0.676 73 A CB -0.171 18.895 19.000 0.109 0.000 0.818 73 A HN 0.654 nan 8.150 nan 0.000 0.453 74 F N -4.769 115.142 119.950 -0.065 0.000 2.706 74 F HA 0.661 5.187 4.527 -0.001 0.000 0.328 74 F C 0.822 176.537 175.800 -0.143 0.000 1.123 74 F CA -1.240 56.703 58.000 -0.095 0.000 0.978 74 F CB 0.457 39.406 39.000 -0.085 0.000 1.404 74 F HN 0.391 nan 8.300 nan 0.000 0.497 75 G N 1.496 110.371 108.800 0.126 0.000 2.338 75 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.296 75 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.296 75 G C -0.280 174.433 174.900 -0.312 0.000 1.040 75 G CA 0.137 45.186 45.100 -0.086 0.000 1.004 75 G HN 0.762 nan 8.290 nan 0.000 0.509 76 R N -1.713 118.516 120.500 -0.451 0.000 2.919 76 R HA 0.758 5.098 4.340 -0.000 0.000 0.260 76 R C -1.106 174.597 176.300 -0.995 0.000 1.067 76 R CA -0.887 54.891 56.100 -0.536 0.000 1.003 76 R CB 1.138 31.307 30.300 -0.218 0.000 1.192 76 R HN 0.078 nan 8.270 nan 0.000 0.488 77 F N -0.493 118.929 119.950 -0.880 0.000 2.493 77 F HA 0.282 4.809 4.527 -0.000 0.000 0.329 77 F C 1.241 176.796 175.800 -0.408 0.000 1.126 77 F CA -0.446 57.026 58.000 -0.880 0.000 0.937 77 F CB 2.272 40.388 39.000 -1.472 0.000 1.146 77 F HN 0.452 nan 8.300 nan 0.000 0.442 78 T N 0.831 115.337 114.554 -0.080 0.000 2.809 78 T HA -0.044 4.306 4.350 -0.000 0.000 0.260 78 T C 0.026 174.867 174.700 0.234 0.000 1.039 78 T CA 1.474 63.608 62.100 0.056 0.000 1.141 78 T CB -0.239 68.673 68.868 0.075 0.000 0.869 78 T HN 0.710 nan 8.240 nan 0.000 0.437 79 H N -1.179 118.132 119.070 0.402 0.000 2.931 79 H HA 0.812 5.368 4.556 -0.000 0.000 0.331 79 H C -0.804 174.854 175.328 0.550 0.000 1.273 79 H CA -1.194 55.095 56.048 0.401 0.000 1.171 79 H CB 0.705 30.612 29.762 0.242 0.000 1.898 79 H HN 0.061 nan 8.280 nan 0.000 0.562 80 A N -0.198 122.952 122.820 0.550 0.000 2.293 80 A HA 0.828 5.148 4.320 -0.000 0.000 0.302 80 A C 0.613 178.385 177.584 0.313 0.000 1.119 80 A CA 0.128 52.370 52.037 0.341 0.000 0.823 80 A CB 0.031 18.968 19.000 -0.105 0.000 1.097 80 A HN 1.609 nan 8.150 nan 0.000 0.491 81 G N -0.708 108.201 108.800 0.183 0.000 2.339 81 G HA2 0.403 4.363 3.960 -0.000 0.000 0.275 81 G HA3 0.403 4.363 3.960 -0.000 0.000 0.275 81 G C -0.813 174.097 174.900 0.017 0.000 1.323 81 G CA -0.148 44.968 45.100 0.027 0.000 0.927 81 G HN 1.145 nan 8.290 nan 0.000 0.486 82 S N -0.132 115.516 115.700 -0.087 0.000 2.449 82 S HA 0.716 5.186 4.470 -0.000 0.000 0.310 82 S C -1.445 173.095 174.600 -0.099 0.000 1.096 82 S CA -0.262 57.953 58.200 0.024 0.000 1.095 82 S CB 0.865 64.113 63.200 0.080 0.000 1.007 82 S HN 0.460 nan 8.310 nan 0.000 0.474 83 Y N 1.202 121.571 120.300 0.115 0.000 2.341 83 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 83 Y C 0.734 176.623 175.900 -0.018 0.000 0.965 83 Y CA -0.592 57.540 58.100 0.053 0.000 1.108 83 Y CB 1.875 40.352 38.460 0.028 0.000 1.180 83 Y HN 0.527 nan 8.280 nan 0.000 0.458 84 T N 0.958 115.559 114.554 0.079 0.000 2.864 84 T HA 0.808 5.157 4.350 -0.000 0.000 0.289 84 T C -1.115 173.558 174.700 -0.044 0.000 1.082 84 T CA -0.376 61.733 62.100 0.015 0.000 1.009 84 T CB 1.921 70.809 68.868 0.033 0.000 1.234 84 T HN 0.697 nan 8.240 nan 0.000 0.526 85 T N 0.716 115.242 114.554 -0.045 0.000 2.927 85 T HA 0.469 4.819 4.350 -0.000 0.000 0.350 85 T C -1.046 173.626 174.700 -0.046 0.000 1.746 85 T CA -0.248 61.809 62.100 -0.072 0.000 1.081 85 T CB 0.703 69.501 68.868 -0.117 0.000 1.551 85 T HN 0.996 nan 8.240 nan 0.000 0.489 86 T N 2.368 116.872 114.554 -0.083 0.000 2.904 86 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 86 T C -0.014 174.618 174.700 -0.113 0.000 1.018 86 T CA -0.824 61.232 62.100 -0.073 0.000 1.075 86 T CB 0.539 69.304 68.868 -0.172 0.000 0.986 86 T HN 0.476 nan 8.240 nan 0.000 0.523 87 I N 0.979 121.523 120.570 -0.043 0.000 2.646 87 I HA 0.605 4.774 4.170 -0.000 0.000 0.299 87 I C 0.342 176.437 176.117 -0.037 0.000 1.036 87 I CA -0.476 60.783 61.300 -0.068 0.000 1.074 87 I CB 2.053 40.052 38.000 -0.003 0.000 1.258 87 I HN 0.886 nan 8.210 nan 0.000 0.430 88 T N 4.127 118.581 114.554 -0.166 0.000 2.864 88 T HA 0.399 4.749 4.350 -0.000 0.000 0.299 88 T C -0.549 173.922 174.700 -0.382 0.000 1.166 88 T CA -0.501 61.461 62.100 -0.230 0.000 1.007 88 T CB 0.991 69.877 68.868 0.030 0.000 1.219 88 T HN 0.600 nan 8.240 nan 0.000 0.506 89 R N 0.972 121.031 120.500 -0.736 0.000 3.038 89 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 89 R C -2.303 173.954 176.300 -0.072 0.000 0.866 89 R CA 0.426 56.349 56.100 -0.294 0.000 0.601 89 R CB -2.041 28.279 30.300 0.034 0.000 1.107 89 R HN 0.575 nan 8.270 nan 0.000 0.492 90 P HA -0.123 nan 4.420 nan 0.000 0.216 90 P C 1.304 178.639 177.300 0.058 0.000 1.150 90 P CA 1.205 64.305 63.100 -0.001 0.000 0.837 90 P CB 0.171 31.864 31.700 -0.012 0.000 0.786 91 T N 0.104 114.676 114.554 0.031 0.000 2.674 91 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 91 T C 1.663 176.353 174.700 -0.016 0.000 1.039 91 T CA 1.159 63.274 62.100 0.024 0.000 1.150 91 T CB -1.016 67.871 68.868 0.031 0.000 0.864 91 T HN 0.017 nan 8.240 nan 0.000 0.427 92 L N 0.483 121.663 121.223 -0.071 0.000 2.042 92 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 92 L C 1.430 178.099 176.870 -0.335 0.000 1.076 92 L CA 1.818 56.514 54.840 -0.241 0.000 0.749 92 L CB -0.766 41.065 42.059 -0.380 0.000 0.893 92 L HN 0.225 nan 8.230 nan 0.000 0.432 93 F N -0.901 119.024 119.950 -0.041 0.000 2.732 93 F HA 0.183 4.710 4.527 -0.000 0.000 0.303 93 F C 2.153 177.972 175.800 0.031 0.000 1.110 93 F CA 0.223 58.226 58.000 0.004 0.000 1.355 93 F CB -0.380 38.630 39.000 0.016 0.000 1.081 93 F HN 0.078 nan 8.300 nan 0.000 0.565 94 R N 1.016 121.587 120.500 0.117 0.000 2.112 94 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 94 R C 1.981 178.310 176.300 0.048 0.000 1.137 94 R CA 2.524 58.664 56.100 0.067 0.000 0.944 94 R CB -1.021 29.298 30.300 0.031 0.000 0.857 94 R HN 0.153 nan 8.270 nan 0.000 0.435 95 S N -0.302 115.425 115.700 0.045 0.000 2.365 95 S HA -0.232 4.238 4.470 -0.000 0.000 0.221 95 S C 1.735 176.352 174.600 0.028 0.000 1.037 95 S CA 1.440 59.658 58.200 0.030 0.000 1.060 95 S CB -1.007 62.212 63.200 0.033 0.000 0.974 95 S HN 0.537 nan 8.310 nan 0.000 0.427 96 Y N 2.450 122.722 120.300 -0.045 0.000 2.081 96 Y HA -0.166 4.384 4.550 -0.001 0.000 0.280 96 Y C 2.079 177.871 175.900 -0.181 0.000 1.163 96 Y CA 1.410 59.457 58.100 -0.089 0.000 1.135 96 Y CB -0.648 37.823 38.460 0.018 0.000 0.970 96 Y HN 0.126 nan 8.280 nan 0.000 0.498 97 L N 0.219 121.382 121.223 -0.100 0.000 2.079 97 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 97 L C 2.347 179.030 176.870 -0.312 0.000 1.081 97 L CA 1.840 56.514 54.840 -0.276 0.000 0.752 97 L CB -0.714 41.341 42.059 -0.007 0.000 0.896 97 L HN 0.352 nan 8.230 nan 0.000 0.433 98 N N 0.155 118.747 118.700 -0.179 0.000 2.062 98 N HA -0.254 4.485 4.740 -0.000 0.000 0.191 98 N C 1.836 177.230 175.510 -0.194 0.000 1.042 98 N CA 1.608 54.571 53.050 -0.146 0.000 0.845 98 N CB -0.131 38.309 38.487 -0.078 0.000 1.024 98 N HN 0.229 nan 8.380 nan 0.000 0.424 99 E N -0.491 119.585 120.200 -0.207 0.000 2.086 99 E HA -0.298 4.052 4.350 -0.000 0.000 0.200 99 E C 1.550 177.985 176.600 -0.275 0.000 1.012 99 E CA 1.396 57.677 56.400 -0.198 0.000 0.812 99 E CB -0.022 29.565 29.700 -0.189 0.000 0.743 99 E HN 0.482 nan 8.360 nan 0.000 0.453 100 Q N 0.201 119.675 119.800 -0.542 0.000 2.049 100 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 100 Q C 2.579 178.353 176.000 -0.377 0.000 0.971 100 Q CA 0.783 56.191 55.803 -0.658 0.000 0.833 100 Q CB -0.448 27.380 28.738 -1.516 0.000 0.896 100 Q HN 0.396 nan 8.270 nan 0.000 0.434 101 L N 0.581 121.603 121.223 -0.336 0.000 2.042 101 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 101 L C 2.436 179.325 176.870 0.033 0.000 1.076 101 L CA 1.459 56.276 54.840 -0.039 0.000 0.749 101 L CB -0.714 41.321 42.059 -0.041 0.000 0.893 101 L HN 0.251 nan 8.230 nan 0.000 0.432 102 T N 0.302 114.843 114.554 -0.021 0.000 2.652 102 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 102 T C 1.942 176.712 174.700 0.115 0.000 1.039 102 T CA 1.424 63.563 62.100 0.064 0.000 1.153 102 T CB -0.365 68.510 68.868 0.012 0.000 0.863 102 T HN 0.195 nan 8.240 nan 0.000 0.428 103 L N 0.372 121.619 121.223 0.041 0.000 2.013 103 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 103 L C 2.533 179.474 176.870 0.119 0.000 1.073 103 L CA 1.384 56.255 54.840 0.051 0.000 0.753 103 L CB -0.665 41.399 42.059 0.009 0.000 0.890 103 L HN 0.281 nan 8.230 nan 0.000 0.432 104 L N -2.208 119.088 121.223 0.122 0.000 2.109 104 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 104 L C 2.583 179.652 176.870 0.332 0.000 1.086 104 L CA 0.947 55.906 54.840 0.197 0.000 0.760 104 L CB -0.661 41.470 42.059 0.121 0.000 0.910 104 L HN 0.180 nan 8.230 nan 0.000 0.437 105 Y N 1.145 121.535 120.300 0.150 0.000 2.089 105 Y HA -0.281 4.269 4.550 -0.001 0.000 0.282 105 Y C 2.692 178.676 175.900 0.139 0.000 1.139 105 Y CA 1.700 59.887 58.100 0.145 0.000 1.123 105 Y CB -0.263 38.253 38.460 0.094 0.000 0.980 105 Y HN 0.177 nan 8.280 nan 0.000 0.493 106 Q N -0.311 119.570 119.800 0.135 0.000 1.946 106 Q HA -0.170 4.170 4.340 -0.000 0.000 0.199 106 Q C 1.956 177.955 176.000 -0.002 0.000 0.979 106 Q CA 1.407 57.215 55.803 0.008 0.000 0.834 106 Q CB -0.387 28.389 28.738 0.063 0.000 0.899 106 Q HN 0.471 nan 8.270 nan 0.000 0.431 107 D N -0.227 120.183 120.400 0.015 0.000 2.190 107 D HA -0.165 4.474 4.640 -0.000 0.000 0.200 107 D C 1.364 177.545 176.300 -0.197 0.000 0.992 107 D CA 1.496 55.433 54.000 -0.104 0.000 0.854 107 D CB 0.056 40.771 40.800 -0.141 0.000 0.936 107 D HN 0.317 nan 8.370 nan 0.000 0.462 108 Y N -0.822 119.499 120.300 0.036 0.000 2.430 108 Y HA 0.287 4.837 4.550 -0.001 0.000 0.248 108 Y C 1.472 177.501 175.900 0.216 0.000 1.108 108 Y CA 0.165 58.331 58.100 0.109 0.000 1.264 108 Y CB 0.917 39.318 38.460 -0.098 0.000 1.172 108 Y HN -0.072 nan 8.280 nan 0.000 0.520 109 G N 1.483 110.409 108.800 0.210 0.000 2.333 109 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.296 109 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.296 109 G C 0.128 175.159 174.900 0.217 0.000 1.059 109 G CA 0.075 45.222 45.100 0.079 0.000 1.050 109 G HN 0.589 nan 8.290 nan 0.000 0.508 110 A N -0.088 122.911 122.820 0.298 0.000 2.304 110 A HA 0.679 4.999 4.320 -0.000 0.000 0.271 110 A C 0.231 178.043 177.584 0.380 0.000 1.091 110 A CA -0.143 52.111 52.037 0.362 0.000 0.812 110 A CB 0.582 19.819 19.000 0.394 0.000 1.056 110 A HN 1.261 nan 8.150 nan 0.000 0.489 111 H N 1.254 120.465 119.070 0.235 0.000 2.690 111 H HA 0.535 5.091 4.556 -0.000 0.000 0.289 111 H C -0.424 175.025 175.328 0.202 0.000 1.089 111 H CA -0.420 55.753 56.048 0.208 0.000 1.299 111 H CB -0.217 29.630 29.762 0.141 0.000 1.405 111 H HN 0.458 nan 8.280 nan 0.000 0.463 112 I N 3.723 124.231 120.570 -0.103 0.000 2.612 112 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 112 I C -0.028 175.915 176.117 -0.289 0.000 1.011 112 I CA -0.392 60.842 61.300 -0.110 0.000 1.326 112 I CB 1.288 39.272 38.000 -0.026 0.000 1.427 112 I HN 0.710 nan 8.210 nan 0.000 0.537 113 S N 3.901 119.518 115.700 -0.137 0.000 2.548 113 S HA 0.650 5.120 4.470 -0.000 0.000 0.278 113 S C -1.212 173.382 174.600 -0.009 0.000 1.150 113 S CA -0.822 57.322 58.200 -0.093 0.000 0.907 113 S CB 1.467 64.615 63.200 -0.087 0.000 1.108 113 S HN 0.273 nan 8.310 nan 0.000 0.459 114 V N 3.619 123.540 119.914 0.011 0.000 2.769 114 V HA 0.921 5.040 4.120 -0.000 0.000 0.312 114 V C -0.998 175.126 176.094 0.050 0.000 1.061 114 V CA -0.377 61.946 62.300 0.039 0.000 0.931 114 V CB 1.624 33.473 31.823 0.043 0.000 1.010 114 V HN 1.112 nan 8.190 nan 0.000 0.433 115 Q N 2.918 122.757 119.800 0.065 0.000 2.736 115 Q HA 0.383 4.723 4.340 -0.000 0.000 0.273 115 Q C -3.345 172.703 176.000 0.081 0.000 0.948 115 Q CA -1.912 53.930 55.803 0.066 0.000 0.854 115 Q CB 1.176 29.948 28.738 0.057 0.000 1.569 115 Q HN 0.392 nan 8.270 nan 0.000 0.405 116 P HA 0.002 nan 4.420 nan 0.000 0.262 116 P C 0.049 177.404 177.300 0.092 0.000 1.182 116 P CA 0.774 63.928 63.100 0.090 0.000 0.761 116 P CB 0.632 32.370 31.700 0.062 0.000 0.795 117 S N 3.170 118.949 115.700 0.131 0.000 2.552 117 S HA 0.177 4.647 4.470 -0.000 0.000 0.271 117 S C 0.702 175.338 174.600 0.061 0.000 1.168 117 S CA -0.180 58.100 58.200 0.132 0.000 1.026 117 S CB 0.409 63.755 63.200 0.242 0.000 1.120 117 S HN 0.335 nan 8.310 nan 0.000 0.514 118 Q N 0.159 119.932 119.800 -0.045 0.000 2.194 118 Q HA 0.270 4.609 4.340 -0.000 0.000 0.214 118 Q C -0.665 175.119 176.000 -0.360 0.000 0.838 118 Q CA 0.118 55.788 55.803 -0.222 0.000 0.972 118 Q CB 0.089 28.634 28.738 -0.321 0.000 1.131 118 Q HN 0.658 nan 8.270 nan 0.000 0.498 119 H N 0.659 119.824 119.070 0.158 0.000 2.511 119 H HA 0.356 4.912 4.556 -0.000 0.000 0.328 119 H C -0.158 175.361 175.328 0.319 0.000 1.044 119 H CA -0.236 55.943 56.048 0.220 0.000 1.212 119 H CB 1.305 31.192 29.762 0.207 0.000 1.428 119 H HN 0.063 nan 8.280 nan 0.000 0.483 120 E N 2.691 123.099 120.200 0.346 0.000 2.349 120 E HA 0.262 4.611 4.350 -0.000 0.000 0.262 120 E C 0.229 176.989 176.600 0.267 0.000 1.088 120 E CA -0.622 55.950 56.400 0.288 0.000 0.899 120 E CB 1.682 31.558 29.700 0.292 0.000 1.044 120 E HN 0.438 nan 8.360 nan 0.000 0.420 121 I N 3.397 123.967 120.570 -0.001 0.000 2.379 121 I HA 0.126 4.295 4.170 -0.000 0.000 0.290 121 I C -2.140 174.039 176.117 0.103 0.000 1.063 121 I CA -2.111 59.108 61.300 -0.135 0.000 1.351 121 I CB 0.363 38.088 38.000 -0.458 0.000 1.410 121 I HN 0.109 nan 8.210 nan 0.000 0.505 122 P HA -0.122 nan 4.420 nan 0.000 0.262 122 P C 0.315 177.570 177.300 -0.075 0.000 1.182 122 P CA 0.190 63.336 63.100 0.077 0.000 0.761 122 P CB 0.213 31.936 31.700 0.039 0.000 0.795 123 Y N 5.471 125.688 120.300 -0.138 0.000 2.298 123 Y HA -0.118 4.431 4.550 -0.001 0.000 0.287 123 Y C -1.163 174.600 175.900 -0.228 0.000 1.164 123 Y CA 1.203 59.170 58.100 -0.221 0.000 1.229 123 Y CB -2.752 35.531 38.460 -0.295 0.000 0.977 123 Y HN 0.354 nan 8.280 nan 0.000 0.538 124 P HA -0.124 nan 4.420 nan 0.000 0.221 124 P C 0.794 177.896 177.300 -0.329 0.000 1.150 124 P CA 1.590 64.335 63.100 -0.591 0.000 0.800 124 P CB -0.247 30.966 31.700 -0.812 0.000 0.787 125 Y N -0.992 119.239 120.300 -0.115 0.000 2.571 125 Y HA -0.040 4.509 4.550 -0.001 0.000 0.294 125 Y C 2.019 177.896 175.900 -0.037 0.000 1.141 125 Y CA 0.325 58.399 58.100 -0.044 0.000 1.308 125 Y CB -1.243 37.237 38.460 0.034 0.000 1.002 125 Y HN -0.087 nan 8.280 nan 0.000 0.551 126 V N -3.103 116.840 119.914 0.049 0.000 3.644 126 V HA 0.189 4.309 4.120 -0.000 0.000 0.267 126 V C 0.797 176.876 176.094 -0.026 0.000 1.277 126 V CA 0.021 62.316 62.300 -0.008 0.000 1.096 126 V CB -0.384 31.394 31.823 -0.076 0.000 0.828 126 V HN 0.122 nan 8.190 nan 0.000 0.446 127 I N 2.701 123.255 120.570 -0.026 0.000 2.352 127 I HA 0.084 4.254 4.170 -0.000 0.000 0.303 127 I C 1.499 177.601 176.117 -0.025 0.000 1.194 127 I CA 0.345 61.627 61.300 -0.030 0.000 1.518 127 I CB -0.005 37.981 38.000 -0.023 0.000 1.489 127 I HN 0.245 nan 8.210 nan 0.000 0.702 128 D N 4.263 124.651 120.400 -0.021 0.000 2.172 128 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 128 D C 1.321 177.609 176.300 -0.020 0.000 0.999 128 D CA 1.070 55.061 54.000 -0.015 0.000 0.856 128 D CB 0.258 41.048 40.800 -0.016 0.000 0.934 128 D HN 0.546 nan 8.370 nan 0.000 0.453 129 G N -0.827 107.959 108.800 -0.023 0.000 2.380 129 G HA2 0.294 4.253 3.960 -0.000 0.000 0.262 129 G HA3 0.294 4.253 3.960 -0.000 0.000 0.262 129 G C 1.182 176.067 174.900 -0.025 0.000 1.243 129 G CA 0.208 45.295 45.100 -0.022 0.000 0.865 129 G HN 0.227 nan 8.290 nan 0.000 0.513 130 S N 2.028 117.714 115.700 -0.022 0.000 2.414 130 S HA -0.178 4.291 4.470 -0.000 0.000 0.238 130 S C 0.771 175.354 174.600 -0.028 0.000 1.055 130 S CA 1.779 59.963 58.200 -0.025 0.000 1.174 130 S CB -0.224 62.968 63.200 -0.014 0.000 1.087 130 S HN 0.591 nan 8.310 nan 0.000 0.428 131 E N -0.581 119.607 120.200 -0.021 0.000 2.449 131 E HA 0.615 4.964 4.350 -0.000 0.000 0.278 131 E C -1.529 175.062 176.600 -0.015 0.000 0.992 131 E CA -0.666 55.722 56.400 -0.019 0.000 0.807 131 E CB 1.729 31.419 29.700 -0.018 0.000 1.350 131 E HN 0.388 nan 8.360 nan 0.000 0.462 132 L N -0.667 120.548 121.223 -0.013 0.000 3.088 132 L HA 0.358 4.698 4.340 -0.000 0.000 0.337 132 L C -0.359 176.506 176.870 -0.008 0.000 1.293 132 L CA -0.455 54.378 54.840 -0.012 0.000 0.784 132 L CB -0.975 41.073 42.059 -0.019 0.000 1.215 132 L HN 0.523 nan 8.230 nan 0.000 0.581 133 T N 0.030 114.582 114.554 -0.004 0.000 1.861 133 T HA -0.143 4.206 4.350 -0.000 0.000 0.607 133 T C -0.094 174.608 174.700 0.004 0.000 0.930 133 T CA 0.840 62.940 62.100 0.000 0.000 3.333 133 T CB -1.333 67.534 68.868 -0.001 0.000 1.727 133 T HN 0.308 nan 8.240 nan 0.000 0.336 134 L N 3.485 124.714 121.223 0.011 0.000 2.329 134 L HA 0.594 4.933 4.340 -0.000 0.000 0.279 134 L C 0.788 177.672 176.870 0.023 0.000 1.014 134 L CA -0.560 54.291 54.840 0.019 0.000 0.814 134 L CB 1.913 43.989 42.059 0.027 0.000 1.257 134 L HN 0.857 nan 8.230 nan 0.000 0.424 135 D N 1.198 121.613 120.400 0.026 0.000 2.356 135 D HA 0.159 4.799 4.640 -0.000 0.000 0.258 135 D C 1.044 177.364 176.300 0.034 0.000 1.279 135 D CA -0.412 53.603 54.000 0.025 0.000 1.016 135 D CB 0.678 41.491 40.800 0.021 0.000 1.107 135 D HN 0.194 nan 8.370 nan 0.000 0.544 136 R N 0.053 120.571 120.500 0.031 0.000 2.113 136 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 136 R C 1.079 177.408 176.300 0.049 0.000 1.129 136 R CA 0.907 57.028 56.100 0.035 0.000 0.915 136 R CB -1.532 28.785 30.300 0.029 0.000 0.837 136 R HN 0.521 nan 8.270 nan 0.000 0.430 140 A N 1.731 124.585 122.820 0.057 0.000 1.903 140 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 140 A C 2.142 179.738 177.584 0.020 0.000 1.191 140 A CA 2.645 54.702 52.037 0.034 0.000 0.638 140 A CB -1.568 17.455 19.000 0.038 0.000 0.823 140 A HN 0.712 nan 8.150 nan 0.000 0.451 141 G N -0.640 108.224 108.800 0.108 0.000 2.418 141 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 141 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 141 G C 1.584 176.476 174.900 -0.013 0.000 1.158 141 G CA 0.988 46.202 45.100 0.190 0.000 0.771 141 G HN 0.434 nan 8.290 nan 0.000 0.545 142 L N 0.908 122.082 121.223 -0.081 0.000 1.955 142 L HA -0.129 4.210 4.340 -0.000 0.000 0.213 142 L C 3.396 180.235 176.870 -0.053 0.000 1.072 142 L CA 2.052 56.761 54.840 -0.218 0.000 0.755 142 L CB -0.853 40.943 42.059 -0.439 0.000 0.888 142 L HN 0.461 nan 8.230 nan 0.000 0.432 143 T N -2.901 111.677 114.554 0.039 0.000 3.025 143 T HA -0.240 4.110 4.350 -0.000 0.000 0.270 143 T C 1.783 176.473 174.700 -0.017 0.000 1.126 143 T CA 1.167 63.345 62.100 0.129 0.000 1.105 143 T CB -0.297 68.638 68.868 0.110 0.000 0.884 143 T HN 0.320 nan 8.240 nan 0.000 0.522 144 R N -0.544 119.854 120.500 -0.170 0.000 2.128 144 R HA 0.115 4.455 4.340 -0.000 0.000 0.211 144 R C 1.035 176.995 176.300 -0.566 0.000 1.067 144 R CA 0.546 56.397 56.100 -0.415 0.000 1.010 144 R CB 0.080 29.981 30.300 -0.664 0.000 0.922 144 R HN 0.483 nan 8.270 nan 0.000 0.457 145 Y N -1.162 119.026 120.300 -0.186 0.000 2.467 145 Y HA 0.346 4.896 4.550 -0.001 0.000 0.250 145 Y C -0.538 174.962 175.900 -0.667 0.000 1.155 145 Y CA -0.439 57.413 58.100 -0.413 0.000 1.249 145 Y CB 0.527 38.644 38.460 -0.571 0.000 1.146 145 Y HN -0.121 nan 8.280 nan 0.000 0.524 146 F N -0.317 119.609 119.950 -0.039 0.000 2.611 146 F HA 0.568 5.095 4.527 -0.000 0.000 0.324 146 F C -2.395 173.445 175.800 0.067 0.000 1.061 146 F CA -3.234 54.746 58.000 -0.033 0.000 0.954 146 F CB 0.963 39.825 39.000 -0.231 0.000 1.301 146 F HN -0.307 nan 8.300 nan 0.000 0.482 147 P HA 0.169 nan 4.420 nan 0.000 0.263 147 P C -0.666 176.760 177.300 0.210 0.000 1.195 147 P CA 0.136 63.371 63.100 0.226 0.000 0.762 147 P CB 0.439 32.257 31.700 0.197 0.000 0.799 148 T N -1.327 113.308 114.554 0.136 0.000 2.864 148 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 148 T C -0.394 174.335 174.700 0.048 0.000 1.082 148 T CA -0.871 61.254 62.100 0.042 0.000 1.009 148 T CB 0.877 69.775 68.868 0.050 0.000 1.234 148 T HN 0.269 nan 8.240 nan 0.000 0.526 149 T N -0.078 114.476 114.554 0.000 0.000 2.739 149 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 149 T C -0.464 174.257 174.700 0.034 0.000 0.929 149 T CA -0.649 61.478 62.100 0.046 0.000 1.014 149 T CB -0.243 68.651 68.868 0.044 0.000 0.914 149 T HN 0.687 nan 8.240 nan 0.000 0.509 150 E N 4.290 124.517 120.200 0.046 0.000 2.256 150 E HA 0.293 4.642 4.350 -0.000 0.000 0.243 150 E C 0.413 177.026 176.600 0.022 0.000 0.925 150 E CA -0.882 55.536 56.400 0.032 0.000 0.748 150 E CB 0.591 30.315 29.700 0.039 0.000 1.206 150 E HN 0.455 nan 8.360 nan 0.000 0.428 169 S N 1.209 116.933 115.700 0.039 0.000 2.600 169 S HA 0.614 5.084 4.470 -0.000 0.000 0.300 169 S C -2.756 171.876 174.600 0.053 0.000 1.087 169 S CA -1.239 56.968 58.200 0.012 0.000 0.965 169 S CB 2.265 65.385 63.200 -0.133 0.000 1.089 169 S HN -0.221 nan 8.310 nan 0.000 0.496 170 P HA 0.160 nan 4.420 nan 0.000 0.271 170 P C 0.333 177.639 177.300 0.010 0.000 1.220 170 P CA -0.313 62.784 63.100 -0.004 0.000 0.768 170 P CB 0.516 32.182 31.700 -0.056 0.000 0.848 171 L N 3.629 124.781 121.223 -0.117 0.000 2.202 171 L HA 0.094 4.434 4.340 -0.000 0.000 0.205 171 L C 0.699 177.236 176.870 -0.555 0.000 1.083 171 L CA 1.627 56.258 54.840 -0.349 0.000 0.790 171 L CB -0.411 41.361 42.059 -0.478 0.000 0.942 171 L HN 0.418 nan 8.230 nan 0.000 0.452 172 S N -3.378 112.100 115.700 -0.370 0.000 2.745 172 S HA 0.343 4.813 4.470 -0.000 0.000 0.306 172 S C 0.903 175.287 174.600 -0.360 0.000 1.137 172 S CA -0.577 57.464 58.200 -0.265 0.000 0.900 172 S CB 0.390 63.597 63.200 0.013 0.000 1.176 172 S HN 0.250 nan 8.310 nan 0.000 0.520 173 H N -0.384 118.542 119.070 -0.239 0.000 2.395 173 H HA 0.236 4.792 4.556 -0.000 0.000 0.299 173 H C -0.433 174.436 175.328 -0.765 0.000 1.070 173 H CA 1.202 56.903 56.048 -0.577 0.000 1.356 173 H CB -0.050 29.184 29.762 -0.880 0.000 1.401 173 H HN 0.470 nan 8.280 nan 0.000 0.524 174 F N 1.512 121.489 119.950 0.045 0.000 2.551 174 F HA 0.204 4.731 4.527 -0.001 0.000 0.316 174 F C 0.395 176.122 175.800 -0.121 0.000 1.089 174 F CA -1.464 56.511 58.000 -0.042 0.000 0.915 174 F CB 1.421 40.379 39.000 -0.069 0.000 1.186 174 F HN -0.024 nan 8.300 nan 0.000 0.456 175 D N 1.507 121.922 120.400 0.025 0.000 2.388 175 D HA 0.371 5.010 4.640 -0.000 0.000 0.254 175 D C 1.022 177.195 176.300 -0.212 0.000 1.111 175 D CA -0.190 53.736 54.000 -0.124 0.000 0.993 175 D CB 1.638 42.332 40.800 -0.176 0.000 1.118 175 D HN 0.605 nan 8.370 nan 0.000 0.502 176 A N 1.741 124.339 122.820 -0.370 0.000 1.909 176 A HA -0.304 4.016 4.320 -0.000 0.000 0.221 176 A C 2.277 179.528 177.584 -0.555 0.000 1.223 176 A CA 1.944 53.611 52.037 -0.616 0.000 0.658 176 A CB -0.694 17.565 19.000 -1.236 0.000 0.831 176 A HN 0.709 nan 8.150 nan 0.000 0.462 177 R N -1.628 118.592 120.500 -0.467 0.000 2.081 177 R HA -0.151 4.188 4.340 -0.000 0.000 0.235 177 R C 2.482 178.716 176.300 -0.110 0.000 1.131 177 R CA 1.600 57.585 56.100 -0.192 0.000 0.960 177 R CB -0.326 29.937 30.300 -0.061 0.000 0.856 177 R HN 0.495 nan 8.270 nan 0.000 0.436 178 R N 0.985 121.425 120.500 -0.099 0.000 2.081 178 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 178 R C 1.987 178.267 176.300 -0.033 0.000 1.131 178 R CA 1.486 57.571 56.100 -0.025 0.000 0.960 178 R CB -0.832 29.490 30.300 0.037 0.000 0.856 178 R HN 0.040 nan 8.270 nan 0.000 0.436 179 V N 1.120 120.962 119.914 -0.121 0.000 2.270 179 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 179 V C 1.859 177.861 176.094 -0.154 0.000 1.043 179 V CA 2.232 64.440 62.300 -0.154 0.000 1.014 179 V CB -0.632 31.082 31.823 -0.181 0.000 0.645 179 V HN 0.306 nan 8.190 nan 0.000 0.447 180 D N -0.415 119.834 120.400 -0.252 0.000 2.133 180 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 180 D C 1.890 177.899 176.300 -0.485 0.000 0.997 180 D CA 1.538 55.246 54.000 -0.486 0.000 0.840 180 D CB -0.348 39.884 40.800 -0.947 0.000 0.947 180 D HN 0.437 nan 8.370 nan 0.000 0.452 181 F N 1.513 121.212 119.950 -0.418 0.000 2.065 181 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 181 F C 2.474 178.224 175.800 -0.084 0.000 1.112 181 F CA 1.708 59.676 58.000 -0.052 0.000 1.212 181 F CB -0.290 38.731 39.000 0.035 0.000 0.975 181 F HN -0.153 nan 8.300 nan 0.000 0.476 182 S N 0.783 116.447 115.700 -0.059 0.000 2.387 182 S HA -0.076 4.393 4.470 -0.000 0.000 0.226 182 S C 2.110 176.524 174.600 -0.310 0.000 1.026 182 S CA 1.162 59.274 58.200 -0.147 0.000 0.972 182 S CB -0.474 62.770 63.200 0.073 0.000 0.814 182 S HN 0.366 nan 8.310 nan 0.000 0.477 183 L N 1.264 122.349 121.223 -0.230 0.000 2.012 183 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 183 L C 2.836 179.559 176.870 -0.246 0.000 1.073 183 L CA 1.306 56.009 54.840 -0.228 0.000 0.748 183 L CB -0.809 41.157 42.059 -0.156 0.000 0.891 183 L HN 0.326 nan 8.230 nan 0.000 0.431 184 A N 0.114 122.797 122.820 -0.229 0.000 1.883 184 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 184 A C 2.319 179.706 177.584 -0.328 0.000 1.186 184 A CA 1.956 53.870 52.037 -0.204 0.000 0.624 184 A CB -0.475 18.461 19.000 -0.108 0.000 0.822 184 A HN 0.248 nan 8.150 nan 0.000 0.444 185 R N -0.524 119.649 120.500 -0.545 0.000 2.073 185 R HA 0.023 4.363 4.340 -0.000 0.000 0.234 185 R C 2.115 178.150 176.300 -0.443 0.000 1.134 185 R CA 1.222 56.896 56.100 -0.710 0.000 0.952 185 R CB -0.886 28.672 30.300 -1.237 0.000 0.850 185 R HN 0.562 nan 8.270 nan 0.000 0.433 186 L N 0.215 121.234 121.223 -0.339 0.000 2.051 186 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 186 L C 2.598 179.437 176.870 -0.052 0.000 1.076 186 L CA 1.704 56.468 54.840 -0.127 0.000 0.758 186 L CB -0.262 41.624 42.059 -0.288 0.000 0.890 186 L HN 0.236 nan 8.230 nan 0.000 0.433 187 R N -1.195 119.233 120.500 -0.119 0.000 2.070 187 R HA -0.250 4.089 4.340 -0.000 0.000 0.232 187 R C 2.420 178.676 176.300 -0.075 0.000 1.138 187 R CA 1.902 57.958 56.100 -0.074 0.000 0.936 187 R CB -0.371 29.875 30.300 -0.090 0.000 0.839 187 R HN 0.375 nan 8.270 nan 0.000 0.429 188 H N -0.527 118.420 119.070 -0.206 0.000 2.251 188 H HA -0.218 4.337 4.556 -0.000 0.000 0.294 188 H C 1.710 177.001 175.328 -0.062 0.000 1.078 188 H CA 2.598 58.536 56.048 -0.183 0.000 1.246 188 H CB -0.569 28.971 29.762 -0.370 0.000 1.358 188 H HN 0.265 nan 8.280 nan 0.000 0.488 189 Y N -0.203 120.032 120.300 -0.108 0.000 2.145 189 Y HA -0.161 4.389 4.550 -0.001 0.000 0.286 189 Y C 3.088 178.911 175.900 -0.128 0.000 1.145 189 Y CA 1.734 59.758 58.100 -0.126 0.000 1.148 189 Y CB -1.008 37.444 38.460 -0.013 0.000 0.981 189 Y HN 0.277 nan 8.280 nan 0.000 0.507 190 T N -1.559 113.020 114.554 0.041 0.000 2.942 190 T HA 0.098 4.447 4.350 -0.000 0.000 0.265 190 T C 1.553 175.970 174.700 -0.471 0.000 1.062 190 T CA 1.311 63.359 62.100 -0.085 0.000 1.139 190 T CB -0.814 68.166 68.868 0.187 0.000 0.883 190 T HN 0.610 nan 8.240 nan 0.000 0.468 191 G N 1.454 109.821 108.800 -0.723 0.000 2.198 191 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 191 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 191 G C 0.192 174.804 174.900 -0.481 0.000 1.042 191 G CA 0.384 44.741 45.100 -1.239 0.000 0.791 191 G HN 0.581 nan 8.290 nan 0.000 0.502 192 T N -0.133 114.299 114.554 -0.204 0.000 2.868 192 T HA 0.599 4.949 4.350 -0.000 0.000 0.306 192 T C -3.009 171.726 174.700 0.058 0.000 1.224 192 T CA -0.935 61.160 62.100 -0.008 0.000 1.012 192 T CB 2.885 71.819 68.868 0.111 0.000 1.221 192 T HN -0.026 nan 8.240 nan 0.000 0.499 193 P HA 0.167 nan 4.420 nan 0.000 0.282 193 P C 1.284 178.523 177.300 -0.101 0.000 1.262 193 P CA -0.510 62.481 63.100 -0.181 0.000 0.773 193 P CB 0.543 31.937 31.700 -0.511 0.000 0.879 194 V N 1.435 121.283 119.914 -0.110 0.000 2.660 194 V HA -0.266 3.853 4.120 -0.000 0.000 0.257 194 V C 1.259 177.273 176.094 -0.132 0.000 1.088 194 V CA 1.747 63.937 62.300 -0.185 0.000 1.106 194 V CB -1.381 30.248 31.823 -0.323 0.000 0.686 194 V HN 0.351 nan 8.190 nan 0.000 0.481 195 E N 0.056 120.137 120.200 -0.198 0.000 2.274 195 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 195 E C 1.911 178.525 176.600 0.023 0.000 0.996 195 E CA 1.330 57.643 56.400 -0.144 0.000 0.840 195 E CB -0.530 29.071 29.700 -0.164 0.000 0.772 195 E HN 0.875 nan 8.360 nan 0.000 0.491 196 H N -1.255 117.803 119.070 -0.021 0.000 2.551 196 H HA 0.125 4.681 4.556 -0.000 0.000 0.266 196 H C -0.123 174.995 175.328 -0.350 0.000 0.964 196 H CA -0.694 55.279 56.048 -0.125 0.000 1.180 196 H CB 0.116 29.794 29.762 -0.140 0.000 1.408 196 H HN 0.065 nan 8.280 nan 0.000 0.563 197 F N 2.629 122.332 119.950 -0.412 0.000 2.608 197 F HA -0.057 4.470 4.527 -0.000 0.000 0.380 197 F C 0.775 176.567 175.800 -0.013 0.000 1.083 197 F CA -0.084 57.766 58.000 -0.250 0.000 1.266 197 F CB 0.557 39.479 39.000 -0.130 0.000 1.076 197 F HN 0.152 nan 8.300 nan 0.000 0.574 198 Q N 4.992 124.935 119.800 0.240 0.000 2.204 198 Q HA 0.244 4.584 4.340 -0.000 0.000 0.254 198 Q C -1.673 174.421 176.000 0.157 0.000 0.981 198 Q CA -1.998 53.937 55.803 0.221 0.000 0.897 198 Q CB 0.820 29.738 28.738 0.299 0.000 1.273 198 Q HN 0.284 nan 8.270 nan 0.000 0.464 199 P HA -0.061 nan 4.420 nan 0.000 0.222 199 P C -0.507 176.485 177.300 -0.512 0.000 1.147 199 P CA 1.168 64.095 63.100 -0.288 0.000 0.790 199 P CB 0.197 31.607 31.700 -0.483 0.000 0.780 200 F N -0.824 119.192 119.950 0.110 0.000 2.361 200 F HA 0.294 4.821 4.527 -0.000 0.000 0.364 200 F C 0.227 176.058 175.800 0.052 0.000 1.117 200 F CA -1.142 56.907 58.000 0.082 0.000 1.071 200 F CB 0.810 39.865 39.000 0.092 0.000 1.188 200 F HN -0.414 nan 8.300 nan 0.000 0.464 201 V N 4.683 124.664 119.914 0.111 0.000 2.547 201 V HA 0.485 4.604 4.120 -0.000 0.000 0.299 201 V C -0.581 175.387 176.094 -0.209 0.000 1.040 201 V CA -0.755 61.504 62.300 -0.068 0.000 0.913 201 V CB 1.995 33.741 31.823 -0.129 0.000 0.992 201 V HN 0.436 nan 8.190 nan 0.000 0.449 202 L N 4.266 125.277 121.223 -0.353 0.000 2.356 202 L HA 0.632 4.972 4.340 -0.000 0.000 0.277 202 L C -0.990 175.645 176.870 -0.392 0.000 0.996 202 L CA -0.074 54.566 54.840 -0.332 0.000 0.822 202 L CB 1.496 43.368 42.059 -0.312 0.000 1.256 202 L HN 0.417 nan 8.230 nan 0.000 0.413 203 F N 1.594 121.472 119.950 -0.119 0.000 2.436 203 F HA 0.718 5.245 4.527 -0.001 0.000 0.340 203 F C 0.526 176.210 175.800 -0.193 0.000 1.113 203 F CA -0.717 57.196 58.000 -0.145 0.000 1.022 203 F CB 2.048 40.950 39.000 -0.164 0.000 1.128 203 F HN 0.446 nan 8.300 nan 0.000 0.466 204 T N -0.942 113.632 114.554 0.033 0.000 2.893 204 T HA 0.378 4.728 4.350 -0.000 0.000 0.293 204 T C -0.044 174.679 174.700 0.038 0.000 1.027 204 T CA -0.948 61.085 62.100 -0.112 0.000 0.988 204 T CB 1.632 70.380 68.868 -0.199 0.000 1.043 204 T HN 0.472 nan 8.240 nan 0.000 0.461 205 N N 0.255 118.979 118.700 0.039 0.000 2.214 205 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 205 N C -0.862 174.884 175.510 0.393 0.000 1.132 205 N CA -0.493 52.634 53.050 0.129 0.000 0.856 205 N CB 0.042 38.488 38.487 -0.069 0.000 1.020 205 N HN 0.627 nan 8.380 nan 0.000 0.509 206 Y N 0.082 120.594 120.300 0.354 0.000 2.386 206 Y HA 0.375 4.925 4.550 -0.001 0.000 0.334 206 Y C 1.377 177.499 175.900 0.369 0.000 1.002 206 Y CA -1.637 56.729 58.100 0.443 0.000 1.068 206 Y CB 1.635 40.505 38.460 0.683 0.000 1.203 206 Y HN -0.016 nan 8.280 nan 0.000 0.443 207 T N 3.822 118.445 114.554 0.115 0.000 2.699 207 T HA -0.169 4.180 4.350 -0.000 0.000 0.268 207 T C 1.807 176.317 174.700 -0.318 0.000 1.036 207 T CA 2.245 64.269 62.100 -0.126 0.000 1.147 207 T CB -0.046 68.584 68.868 -0.397 0.000 0.862 207 T HN 0.779 nan 8.240 nan 0.000 0.446 208 R N -0.878 119.143 120.500 -0.798 0.000 2.249 208 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 208 R C 2.016 178.067 176.300 -0.415 0.000 1.121 208 R CA 1.181 56.880 56.100 -0.669 0.000 0.997 208 R CB -0.391 29.350 30.300 -0.932 0.000 0.867 208 R HN 0.577 nan 8.270 nan 0.000 0.465 209 Y N -0.247 119.932 120.300 -0.201 0.000 2.263 209 Y HA -0.204 4.346 4.550 -0.000 0.000 0.292 209 Y C 2.467 178.315 175.900 -0.087 0.000 1.130 209 Y CA 1.254 59.305 58.100 -0.082 0.000 1.179 209 Y CB -0.338 38.117 38.460 -0.009 0.000 0.998 209 Y HN -0.096 nan 8.280 nan 0.000 0.532 210 V N -1.881 118.047 119.914 0.023 0.000 2.358 210 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 210 V C 1.779 177.759 176.094 -0.191 0.000 1.047 210 V CA 2.130 64.331 62.300 -0.166 0.000 1.035 210 V CB -0.619 30.927 31.823 -0.462 0.000 0.658 210 V HN 0.182 nan 8.190 nan 0.000 0.452 211 D N 0.569 120.869 120.400 -0.166 0.000 2.103 211 D HA -0.233 4.407 4.640 -0.000 0.000 0.190 211 D C 2.162 178.400 176.300 -0.104 0.000 0.997 211 D CA 2.248 56.158 54.000 -0.149 0.000 0.833 211 D CB -0.365 40.340 40.800 -0.158 0.000 0.961 211 D HN 0.614 nan 8.370 nan 0.000 0.447 212 E N -0.449 119.700 120.200 -0.085 0.000 2.153 212 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 212 E C 1.772 178.410 176.600 0.063 0.000 0.988 212 E CA 0.414 56.793 56.400 -0.035 0.000 0.811 212 E CB -0.335 29.320 29.700 -0.075 0.000 0.746 212 E HN 0.248 nan 8.360 nan 0.000 0.466 213 F N -0.380 119.520 119.950 -0.084 0.000 2.098 213 F HA -0.114 4.413 4.527 -0.000 0.000 0.294 213 F C 1.987 177.792 175.800 0.007 0.000 1.107 213 F CA 1.048 59.032 58.000 -0.026 0.000 1.234 213 F CB -0.587 38.362 39.000 -0.085 0.000 1.002 213 F HN -0.109 nan 8.300 nan 0.000 0.472 214 V N 1.672 121.489 119.914 -0.162 0.000 2.255 214 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 214 V C 2.676 178.645 176.094 -0.208 0.000 1.051 214 V CA 2.402 64.540 62.300 -0.269 0.000 1.018 214 V CB -0.916 30.755 31.823 -0.252 0.000 0.641 214 V HN 0.357 nan 8.190 nan 0.000 0.445 215 R N -1.073 119.356 120.500 -0.118 0.000 2.094 215 R HA -0.284 4.055 4.340 -0.000 0.000 0.239 215 R C 2.216 178.473 176.300 -0.071 0.000 1.137 215 R CA 2.680 58.732 56.100 -0.081 0.000 0.943 215 R CB -0.597 29.678 30.300 -0.041 0.000 0.850 215 R HN 0.643 nan 8.270 nan 0.000 0.433 216 W N 1.088 122.255 121.300 -0.222 0.000 2.374 216 W HA -0.038 4.621 4.660 -0.001 0.000 0.288 216 W C 1.777 178.105 176.519 -0.318 0.000 1.218 216 W CA 1.775 58.986 57.345 -0.224 0.000 1.245 216 W CB -0.573 28.771 29.460 -0.194 0.000 1.126 216 W HN 0.259 nan 8.180 nan 0.000 0.545 217 G N 0.068 108.617 108.800 -0.418 0.000 2.464 217 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.214 217 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.214 217 G C 1.416 175.998 174.900 -0.530 0.000 1.218 217 G CA 1.603 46.290 45.100 -0.688 0.000 0.794 217 G HN 0.343 nan 8.290 nan 0.000 0.542 218 C N 0.570 119.659 119.300 -0.352 0.000 2.398 218 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 218 C C 3.402 178.234 174.990 -0.265 0.000 1.222 218 C CA 1.539 60.402 59.018 -0.258 0.000 1.746 218 C CB -1.032 26.601 27.740 -0.178 0.000 2.039 218 C HN 0.532 nan 8.230 nan 0.000 0.470 219 S N -0.100 115.428 115.700 -0.287 0.000 2.374 219 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 219 S C 1.950 176.352 174.600 -0.330 0.000 1.037 219 S CA 1.802 59.841 58.200 -0.268 0.000 1.024 219 S CB -0.331 62.717 63.200 -0.253 0.000 0.861 219 S HN 0.627 nan 8.310 nan 0.000 0.456 220 Q N 0.683 120.168 119.800 -0.525 0.000 2.124 220 Q HA 0.043 4.382 4.340 -0.000 0.000 0.202 220 Q C 2.262 178.111 176.000 -0.252 0.000 0.977 220 Q CA 1.320 56.833 55.803 -0.483 0.000 0.850 220 Q CB -0.575 27.678 28.738 -0.808 0.000 0.901 220 Q HN 0.671 nan 8.270 nan 0.000 0.429 221 I N 0.037 120.460 120.570 -0.244 0.000 2.202 221 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 221 I C 1.764 177.805 176.117 -0.125 0.000 1.091 221 I CA 0.630 61.835 61.300 -0.159 0.000 1.368 221 I CB -0.266 37.630 38.000 -0.174 0.000 1.058 221 I HN 0.147 nan 8.210 nan 0.000 0.410 222 L N 0.302 121.445 121.223 -0.133 0.000 2.131 222 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 222 L C 1.059 177.876 176.870 -0.088 0.000 1.092 222 L CA 1.319 56.099 54.840 -0.099 0.000 0.759 222 L CB -1.198 40.803 42.059 -0.097 0.000 0.903 222 L HN 0.219 nan 8.230 nan 0.000 0.435 223 D N 0.492 120.828 120.400 -0.106 0.000 2.358 223 D HA 0.048 4.688 4.640 -0.000 0.000 0.258 223 D C -1.992 174.264 176.300 -0.073 0.000 1.223 223 D CA -2.073 51.875 54.000 -0.086 0.000 0.886 223 D CB 1.245 41.986 40.800 -0.098 0.000 1.120 223 D HN 0.018 nan 8.370 nan 0.000 0.482 224 P HA 0.129 nan 4.420 nan 0.000 0.269 224 P C -0.364 176.907 177.300 -0.048 0.000 1.461 224 P CA 0.305 63.376 63.100 -0.048 0.000 0.809 224 P CB 0.355 32.032 31.700 -0.038 0.000 1.503 225 D N -2.908 117.459 120.400 -0.055 0.000 2.415 225 D HA 0.024 4.664 4.640 -0.000 0.000 0.269 225 D C 0.314 176.571 176.300 -0.073 0.000 1.099 225 D CA 0.303 54.271 54.000 -0.053 0.000 0.865 225 D CB 0.120 40.896 40.800 -0.040 0.000 1.359 225 D HN -0.016 nan 8.370 nan 0.000 0.506 226 S N 2.081 117.732 115.700 -0.081 0.000 2.455 226 S HA 0.162 4.632 4.470 -0.000 0.000 0.278 226 S C -1.673 172.825 174.600 -0.168 0.000 1.216 226 S CA -1.252 56.886 58.200 -0.104 0.000 1.055 226 S CB 1.437 64.600 63.200 -0.062 0.000 0.939 226 S HN -0.191 nan 8.310 nan 0.000 0.494 227 P HA -0.108 nan 4.420 nan 0.000 0.220 227 P C -0.603 176.512 177.300 -0.309 0.000 1.144 227 P CA 0.960 63.870 63.100 -0.316 0.000 0.800 227 P CB -0.062 31.395 31.700 -0.405 0.000 0.772 228 Y N 0.341 120.581 120.300 -0.101 0.000 2.650 228 Y HA 0.034 4.584 4.550 -0.001 0.000 0.342 228 Y C 1.808 177.621 175.900 -0.145 0.000 1.110 228 Y CA -0.087 57.935 58.100 -0.131 0.000 1.438 228 Y CB -0.709 37.620 38.460 -0.218 0.000 1.181 228 Y HN 0.047 nan 8.280 nan 0.000 0.526 229 I N -0.405 120.167 120.570 0.004 0.000 4.082 229 I HA 0.714 4.884 4.170 -0.000 0.000 0.337 229 I C 0.393 176.449 176.117 -0.101 0.000 1.352 229 I CA -0.036 61.241 61.300 -0.039 0.000 1.097 229 I CB 0.255 38.250 38.000 -0.009 0.000 1.048 229 I HN 0.450 nan 8.210 nan 0.000 0.393 230 A N 1.311 124.023 122.820 -0.180 0.000 2.581 230 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 230 A C -1.965 175.327 177.584 -0.487 0.000 1.119 230 A CA -0.524 51.240 52.037 -0.456 0.000 0.670 230 A CB 1.724 20.328 19.000 -0.660 0.000 1.280 230 A HN 0.251 nan 8.150 nan 0.000 0.425 231 L N 0.599 121.393 121.223 -0.716 0.000 2.595 231 L HA 0.545 4.885 4.340 -0.000 0.000 0.259 231 L C -0.231 176.389 176.870 -0.415 0.000 1.033 231 L CA 0.224 54.808 54.840 -0.427 0.000 0.901 231 L CB 1.428 43.322 42.059 -0.274 0.000 1.151 231 L HN 0.783 nan 8.230 nan 0.000 0.453 232 S N 3.196 118.709 115.700 -0.312 0.000 2.531 232 S HA 0.492 4.962 4.470 -0.000 0.000 0.279 232 S C -0.199 174.390 174.600 -0.018 0.000 1.305 232 S CA -0.185 57.978 58.200 -0.062 0.000 1.058 232 S CB -0.026 63.282 63.200 0.179 0.000 0.899 232 S HN 0.745 nan 8.310 nan 0.000 0.493 233 C N 4.149 123.425 119.300 -0.040 0.000 2.456 233 C HA 0.764 5.223 4.460 -0.000 0.000 0.325 233 C C 0.765 175.501 174.990 -0.423 0.000 1.217 233 C CA -1.182 57.690 59.018 -0.243 0.000 1.687 233 C CB 0.470 28.256 27.740 0.076 0.000 2.270 233 C HN 1.024 nan 8.230 nan 0.000 0.499 234 A N 2.112 124.337 122.820 -0.992 0.000 2.537 234 A HA 0.472 4.792 4.320 -0.000 0.000 0.260 234 A C 1.317 178.699 177.584 -0.336 0.000 1.082 234 A CA 1.096 52.656 52.037 -0.796 0.000 0.765 234 A CB -0.809 17.433 19.000 -1.263 0.000 1.019 234 A HN 2.072 nan 8.150 nan 0.000 0.507 235 G N 1.103 109.810 108.800 -0.155 0.000 2.699 235 G HA2 0.280 4.240 3.960 -0.000 0.000 0.198 235 G HA3 0.280 4.240 3.960 -0.000 0.000 0.198 235 G C 1.223 176.153 174.900 0.049 0.000 1.033 235 G CA 0.898 46.027 45.100 0.048 0.000 0.728 235 G HN 2.466 nan 8.290 nan 0.000 0.484 236 G N 0.049 108.866 108.800 0.028 0.000 3.514 236 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.197 236 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.197 236 G C 0.029 175.008 174.900 0.132 0.000 1.098 236 G CA 0.479 45.628 45.100 0.081 0.000 0.884 236 G HN 1.006 nan 8.290 nan 0.000 0.433 237 N N 1.251 120.018 118.700 0.112 0.000 2.223 237 N HA 0.193 4.932 4.740 -0.000 0.000 0.271 237 N C -0.398 175.223 175.510 0.185 0.000 1.315 237 N CA 0.628 53.761 53.050 0.138 0.000 0.835 237 N CB 0.188 38.739 38.487 0.107 0.000 1.066 237 N HN 0.431 nan 8.380 nan 0.000 0.486 238 W N 5.879 127.190 121.300 0.018 0.000 2.417 238 W HA 0.532 5.192 4.660 -0.000 0.000 0.315 238 W C -1.469 175.047 176.519 -0.005 0.000 1.045 238 W CA -0.642 56.700 57.345 -0.005 0.000 1.221 238 W CB 0.517 29.971 29.460 -0.010 0.000 1.309 238 W HN 0.325 nan 8.180 nan 0.000 0.453 239 I N 6.035 126.337 120.570 -0.448 0.000 2.389 239 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 239 I C 0.291 176.154 176.117 -0.424 0.000 0.999 239 I CA -0.226 60.896 61.300 -0.296 0.000 1.129 239 I CB 2.330 40.216 38.000 -0.189 0.000 1.288 239 I HN 0.253 nan 8.210 nan 0.000 0.444 240 T N 3.358 117.799 114.554 -0.188 0.000 2.910 240 T HA 0.555 4.904 4.350 -0.000 0.000 0.287 240 T C 1.181 175.842 174.700 -0.065 0.000 1.050 240 T CA 0.221 62.251 62.100 -0.117 0.000 1.011 240 T CB 1.776 70.685 68.868 0.068 0.000 1.195 240 T HN 0.624 nan 8.240 nan 0.000 0.540 241 A N 1.170 123.961 122.820 -0.049 0.000 1.954 241 A HA -0.093 4.227 4.320 -0.000 0.000 0.222 241 A C 1.036 178.605 177.584 -0.025 0.000 1.199 241 A CA 2.077 54.088 52.037 -0.043 0.000 0.657 241 A CB -0.682 18.300 19.000 -0.030 0.000 0.823 241 A HN 0.819 nan 8.150 nan 0.000 0.463 242 E N 0.346 120.546 120.200 -0.000 0.000 2.167 242 E HA 0.355 4.704 4.350 -0.000 0.000 0.247 242 E C -1.341 175.271 176.600 0.020 0.000 0.961 242 E CA -0.288 56.117 56.400 0.008 0.000 0.797 242 E CB -0.004 29.707 29.700 0.018 0.000 1.182 242 E HN 0.080 nan 8.360 nan 0.000 0.437 243 T N 3.289 117.846 114.554 0.006 0.000 2.985 243 T HA 0.123 4.473 4.350 -0.000 0.000 0.315 243 T C 0.385 175.090 174.700 0.008 0.000 1.001 243 T CA -0.645 61.465 62.100 0.016 0.000 1.016 243 T CB 1.339 70.212 68.868 0.009 0.000 0.993 243 T HN 0.237 nan 8.240 nan 0.000 0.454 244 E N 2.934 123.143 120.200 0.014 0.000 2.336 244 E HA -0.237 4.112 4.350 -0.000 0.000 0.247 244 E C 0.893 177.495 176.600 0.004 0.000 0.953 244 E CA 1.862 58.268 56.400 0.010 0.000 0.997 244 E CB -0.656 29.054 29.700 0.016 0.000 0.972 244 E HN 0.770 nan 8.360 nan 0.000 0.542 245 A N 0.947 123.772 122.820 0.008 0.000 2.394 245 A HA 0.481 4.801 4.320 -0.000 0.000 0.333 245 A C -2.298 175.289 177.584 0.005 0.000 1.397 245 A CA -1.513 50.527 52.037 0.005 0.000 0.884 245 A CB 0.687 19.693 19.000 0.010 0.000 1.147 245 A HN 0.051 nan 8.150 nan 0.000 0.505 246 P HA 0.132 nan 4.420 nan 0.000 0.246 246 P C 0.198 177.495 177.300 -0.005 0.000 1.675 246 P CA 0.708 63.800 63.100 -0.015 0.000 0.908 246 P CB 0.403 32.078 31.700 -0.041 0.000 1.890 247 E N 0.072 120.279 120.200 0.013 0.000 2.175 247 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 247 E C 1.241 177.870 176.600 0.048 0.000 0.934 247 E CA 0.694 57.107 56.400 0.022 0.000 0.870 247 E CB -0.392 29.320 29.700 0.021 0.000 0.838 247 E HN 0.139 nan 8.360 nan 0.000 0.474 248 E N 0.980 121.215 120.200 0.058 0.000 2.533 248 E HA -0.049 4.301 4.350 -0.000 0.000 0.203 248 E C 1.390 178.058 176.600 0.113 0.000 1.101 248 E CA 0.608 57.057 56.400 0.083 0.000 0.894 248 E CB -0.455 29.290 29.700 0.075 0.000 0.843 248 E HN 0.284 nan 8.360 nan 0.000 0.552 249 A N 0.627 123.508 122.820 0.103 0.000 1.948 249 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 249 A C 1.457 179.200 177.584 0.266 0.000 1.177 249 A CA 1.024 53.150 52.037 0.147 0.000 0.636 249 A CB -0.177 18.865 19.000 0.070 0.000 0.815 249 A HN 0.298 nan 8.150 nan 0.000 0.449 250 I N 0.306 121.004 120.570 0.213 0.000 3.010 250 I HA 0.088 4.258 4.170 -0.000 0.000 0.330 250 I C 0.397 176.696 176.117 0.304 0.000 1.334 250 I CA -0.248 61.234 61.300 0.304 0.000 0.945 250 I CB 0.637 38.769 38.000 0.220 0.000 2.027 250 I HN 0.158 nan 8.210 nan 0.000 0.564 251 S N 1.706 117.553 115.700 0.244 0.000 2.611 251 S HA -0.067 4.403 4.470 -0.000 0.000 0.317 251 S C 1.206 175.956 174.600 0.251 0.000 1.208 251 S CA -0.200 58.117 58.200 0.195 0.000 1.217 251 S CB -0.073 63.209 63.200 0.137 0.000 1.085 251 S HN 0.385 nan 8.310 nan 0.000 0.529 252 D N 3.720 124.292 120.400 0.287 0.000 2.244 252 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 252 D C 1.577 178.068 176.300 0.318 0.000 1.006 252 D CA 1.022 55.243 54.000 0.367 0.000 0.888 252 D CB -0.171 40.763 40.800 0.224 0.000 0.912 252 D HN 0.583 nan 8.370 nan 0.000 0.452 253 L N 0.211 121.547 121.223 0.187 0.000 2.261 253 L HA -0.073 4.267 4.340 -0.000 0.000 0.216 253 L C 1.998 178.912 176.870 0.073 0.000 1.114 253 L CA 1.323 56.232 54.840 0.114 0.000 0.777 253 L CB -0.711 41.387 42.059 0.065 0.000 0.910 253 L HN 0.002 nan 8.230 nan 0.000 0.440 254 A N -0.804 122.065 122.820 0.082 0.000 1.865 254 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 254 A C 2.016 179.563 177.584 -0.061 0.000 1.191 254 A CA 1.818 53.832 52.037 -0.039 0.000 0.623 254 A CB -1.281 17.612 19.000 -0.178 0.000 0.826 254 A HN 0.668 nan 8.150 nan 0.000 0.444 255 W N -0.049 121.320 121.300 0.116 0.000 2.747 255 W HA -0.008 4.651 4.660 -0.000 0.000 0.244 255 W C 1.907 178.453 176.519 0.044 0.000 1.270 255 W CA 1.351 58.757 57.345 0.102 0.000 1.333 255 W CB -0.110 29.422 29.460 0.120 0.000 1.139 255 W HN 0.537 nan 8.180 nan 0.000 0.662 256 K N 0.330 120.819 120.400 0.148 0.000 2.399 256 K HA 0.006 4.326 4.320 -0.000 0.000 0.196 256 K C 1.619 178.194 176.600 -0.042 0.000 1.117 256 K CA 0.383 56.714 56.287 0.073 0.000 0.965 256 K CB 0.316 32.856 32.500 0.066 0.000 0.983 256 K HN -0.068 nan 8.250 nan 0.000 0.531 257 K N -0.457 119.826 120.400 -0.196 0.000 2.334 257 K HA 0.089 4.409 4.320 -0.000 0.000 0.195 257 K C -0.435 175.815 176.600 -0.583 0.000 1.045 257 K CA 0.317 56.348 56.287 -0.426 0.000 1.004 257 K CB 0.536 32.648 32.500 -0.647 0.000 0.837 257 K HN 0.167 nan 8.250 nan 0.000 0.510 258 H N 0.770 119.789 119.070 -0.085 0.000 2.906 258 H HA 0.190 4.745 4.556 -0.001 0.000 0.324 258 H C -0.675 174.624 175.328 -0.050 0.000 0.973 258 H CA -0.780 55.193 56.048 -0.126 0.000 1.321 258 H CB 1.300 30.948 29.762 -0.191 0.000 1.535 258 H HN -0.033 nan 8.280 nan 0.000 0.518 262 A N 1.352 123.750 122.820 -0.703 0.000 2.384 262 A HA 0.935 5.255 4.320 -0.000 0.000 0.312 262 A C -1.689 175.308 177.584 -0.979 0.000 1.113 262 A CA -0.536 51.147 52.037 -0.591 0.000 0.779 262 A CB 1.599 20.267 19.000 -0.553 0.000 1.307 262 A HN 0.447 nan 8.150 nan 0.000 0.436 263 W N 1.693 122.635 121.300 -0.598 0.000 2.968 263 W HA 0.339 4.999 4.660 -0.000 0.000 0.337 263 W C -1.140 175.106 176.519 -0.456 0.000 1.060 263 W CA -0.302 56.822 57.345 -0.368 0.000 1.240 263 W CB 1.513 30.996 29.460 0.038 0.000 1.370 263 W HN 0.710 nan 8.180 nan 0.000 0.459 264 H N 4.441 123.579 119.070 0.113 0.000 2.595 264 H HA 0.297 4.853 4.556 -0.000 0.000 0.313 264 H C -0.151 175.217 175.328 0.066 0.000 1.023 264 H CA -0.609 55.482 56.048 0.072 0.000 1.218 264 H CB 2.344 32.077 29.762 -0.048 0.000 1.403 264 H HN 0.159 nan 8.280 nan 0.000 0.477 265 L N 5.824 127.186 121.223 0.233 0.000 2.358 265 L HA 0.245 4.585 4.340 -0.000 0.000 0.274 265 L C 0.101 177.098 176.870 0.212 0.000 1.136 265 L CA -0.344 54.532 54.840 0.061 0.000 0.970 265 L CB -0.289 41.676 42.059 -0.156 0.000 1.314 265 L HN 0.459 nan 8.230 nan 0.000 0.427 266 I N 2.264 122.899 120.570 0.109 0.000 2.779 266 I HA 0.141 4.310 4.170 -0.000 0.000 0.285 266 I C 0.913 177.118 176.117 0.147 0.000 1.134 266 I CA 0.144 61.523 61.300 0.133 0.000 1.398 266 I CB 1.321 39.343 38.000 0.036 0.000 1.404 266 I HN 0.480 nan 8.210 nan 0.000 0.587 267 T N 1.266 115.898 114.554 0.129 0.000 2.907 267 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 267 T C 0.730 175.462 174.700 0.055 0.000 1.066 267 T CA -0.222 61.907 62.100 0.048 0.000 1.012 267 T CB 1.709 70.555 68.868 -0.037 0.000 1.184 267 T HN 0.593 nan 8.240 nan 0.000 0.522 268 A N 1.569 124.403 122.820 0.024 0.000 1.859 268 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 268 A C 1.805 179.417 177.584 0.046 0.000 1.209 268 A CA 2.261 54.319 52.037 0.036 0.000 0.639 268 A CB -1.330 17.678 19.000 0.013 0.000 0.835 268 A HN 1.002 nan 8.150 nan 0.000 0.450 269 D N -1.111 119.311 120.400 0.037 0.000 2.352 269 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 269 D C 1.070 177.415 176.300 0.075 0.000 1.055 269 D CA 0.859 54.888 54.000 0.049 0.000 0.891 269 D CB -1.078 39.746 40.800 0.039 0.000 0.897 269 D HN 1.021 nan 8.370 nan 0.000 0.529 270 G N 1.030 109.885 108.800 0.092 0.000 2.273 270 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.280 270 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.280 270 G C 0.372 175.376 174.900 0.173 0.000 1.047 270 G CA -0.044 45.131 45.100 0.124 0.000 0.869 270 G HN 0.362 nan 8.290 nan 0.000 0.502 271 Q N -0.214 119.701 119.800 0.193 0.000 2.206 271 Q HA 0.337 4.677 4.340 -0.000 0.000 0.265 271 Q C 1.519 177.722 176.000 0.339 0.000 0.866 271 Q CA 0.374 56.367 55.803 0.317 0.000 1.073 271 Q CB 0.545 29.424 28.738 0.235 0.000 1.165 271 Q HN 0.601 nan 8.270 nan 0.000 0.465 272 G N 0.632 109.639 108.800 0.344 0.000 2.481 272 G HA2 0.450 4.409 3.960 -0.000 0.000 0.251 272 G HA3 0.450 4.409 3.960 -0.000 0.000 0.251 272 G C -0.079 175.125 174.900 0.506 0.000 1.492 272 G CA -0.337 45.042 45.100 0.466 0.000 1.060 272 G HN 0.254 nan 8.290 nan 0.000 0.553 273 I N -0.723 120.124 120.570 0.461 0.000 2.533 273 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 273 I C -0.656 175.645 176.117 0.307 0.000 1.056 273 I CA -0.389 61.138 61.300 0.378 0.000 1.057 273 I CB 2.621 40.837 38.000 0.361 0.000 1.240 273 I HN 0.237 nan 8.210 nan 0.000 0.423 274 T N 6.744 121.404 114.554 0.177 0.000 2.797 274 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 274 T C -0.714 173.868 174.700 -0.196 0.000 0.991 274 T CA -0.353 61.773 62.100 0.043 0.000 0.979 274 T CB 1.444 70.398 68.868 0.144 0.000 0.943 274 T HN 0.339 nan 8.240 nan 0.000 0.444 275 L N 4.633 125.642 121.223 -0.356 0.000 2.333 275 L HA 0.798 5.137 4.340 -0.000 0.000 0.280 275 L C -1.343 175.419 176.870 -0.179 0.000 1.004 275 L CA -0.628 53.953 54.840 -0.431 0.000 0.820 275 L CB 1.182 42.682 42.059 -0.932 0.000 1.247 275 L HN 0.387 nan 8.230 nan 0.000 0.416 276 V N 3.715 123.589 119.914 -0.066 0.000 2.487 276 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 276 V C -0.414 175.802 176.094 0.204 0.000 1.028 276 V CA -0.706 61.662 62.300 0.113 0.000 0.860 276 V CB 1.768 33.744 31.823 0.255 0.000 0.991 276 V HN 0.771 nan 8.190 nan 0.000 0.427 277 N N 3.891 122.735 118.700 0.240 0.000 2.767 277 N HA 0.260 5.000 4.740 -0.000 0.000 0.238 277 N C 1.123 176.754 175.510 0.202 0.000 1.083 277 N CA -0.450 52.760 53.050 0.267 0.000 0.964 277 N CB 0.400 39.148 38.487 0.435 0.000 1.252 277 N HN 0.755 nan 8.380 nan 0.000 0.512 278 I N 0.055 120.695 120.570 0.117 0.000 2.916 278 I HA 0.172 4.341 4.170 -0.000 0.000 0.267 278 I C 1.150 177.284 176.117 0.027 0.000 1.263 278 I CA 0.257 61.556 61.300 -0.001 0.000 1.471 278 I CB -1.032 36.854 38.000 -0.190 0.000 1.089 278 I HN 0.470 nan 8.210 nan 0.000 0.468 279 G N 1.152 110.019 108.800 0.113 0.000 2.562 279 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.250 279 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.250 279 G C -0.402 174.538 174.900 0.068 0.000 1.269 279 G CA -0.118 45.063 45.100 0.135 0.000 0.919 279 G HN 0.297 nan 8.290 nan 0.000 0.574 280 V N 1.111 121.066 119.914 0.069 0.000 2.555 280 V HA 0.849 4.968 4.120 -0.000 0.000 0.302 280 V C 0.823 176.927 176.094 0.016 0.000 1.038 280 V CA 0.973 63.298 62.300 0.041 0.000 0.887 280 V CB 0.907 32.782 31.823 0.087 0.000 0.991 280 V HN 2.769 nan 8.190 nan 0.000 0.434 281 G N 5.479 114.273 108.800 -0.009 0.000 2.931 281 G HA2 0.038 3.997 3.960 -0.000 0.000 0.675 281 G HA3 0.038 3.997 3.960 -0.000 0.000 0.675 281 G C -2.688 172.178 174.900 -0.056 0.000 1.339 281 G CA -0.472 44.620 45.100 -0.014 0.000 0.866 281 G HN 0.507 nan 8.290 nan 0.000 0.616 282 P HA -0.016 nan 4.420 nan 0.000 0.221 282 P C 2.062 179.307 177.300 -0.091 0.000 1.150 282 P CA 1.679 64.724 63.100 -0.091 0.000 0.800 282 P CB 0.218 31.873 31.700 -0.075 0.000 0.787 283 S N -0.662 115.005 115.700 -0.055 0.000 2.370 283 S HA -0.216 4.253 4.470 -0.000 0.000 0.226 283 S C 1.849 176.393 174.600 -0.093 0.000 1.033 283 S CA 1.453 59.624 58.200 -0.049 0.000 1.011 283 S CB -1.202 61.988 63.200 -0.017 0.000 0.852 283 S HN 0.342 nan 8.310 nan 0.000 0.457 284 N N 1.002 119.635 118.700 -0.112 0.000 2.171 284 N HA -0.000 4.739 4.740 -0.000 0.000 0.184 284 N C 2.025 177.394 175.510 -0.235 0.000 1.021 284 N CA 0.839 53.789 53.050 -0.168 0.000 0.854 284 N CB -0.209 38.197 38.487 -0.135 0.000 0.994 284 N HN 0.424 nan 8.380 nan 0.000 0.426 285 A N 1.763 124.433 122.820 -0.250 0.000 1.908 285 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 285 A C 2.075 179.455 177.584 -0.339 0.000 1.181 285 A CA 1.406 53.221 52.037 -0.369 0.000 0.627 285 A CB -0.451 18.344 19.000 -0.342 0.000 0.818 285 A HN 0.248 nan 8.150 nan 0.000 0.445 286 K N -0.971 119.297 120.400 -0.219 0.000 2.001 286 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 286 K C 2.078 178.587 176.600 -0.151 0.000 1.048 286 K CA 1.870 58.068 56.287 -0.148 0.000 0.932 286 K CB -0.481 31.968 32.500 -0.085 0.000 0.715 286 K HN 0.398 nan 8.250 nan 0.000 0.437 287 T N 1.944 116.398 114.554 -0.166 0.000 2.607 287 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 287 T C 1.813 176.371 174.700 -0.237 0.000 1.049 287 T CA 1.742 63.729 62.100 -0.188 0.000 1.162 287 T CB -0.329 68.414 68.868 -0.208 0.000 0.863 287 T HN 0.249 nan 8.240 nan 0.000 0.424 288 I N 0.733 121.160 120.570 -0.239 0.000 2.208 288 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 288 I C 2.423 178.446 176.117 -0.157 0.000 1.097 288 I CA 1.039 62.248 61.300 -0.153 0.000 1.363 288 I CB -0.536 37.333 38.000 -0.219 0.000 1.051 288 I HN 0.330 nan 8.210 nan 0.000 0.413 289 C N 0.375 119.508 119.300 -0.279 0.000 2.435 289 C HA -0.114 4.346 4.460 -0.000 0.000 0.279 289 C C 2.362 177.331 174.990 -0.033 0.000 1.321 289 C CA 0.683 59.577 59.018 -0.206 0.000 1.752 289 C CB -1.293 26.303 27.740 -0.241 0.000 1.959 289 C HN 0.517 nan 8.230 nan 0.000 0.500 290 D N 0.020 120.349 120.400 -0.117 0.000 2.158 290 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 290 D C 1.948 177.971 176.300 -0.462 0.000 0.995 290 D CA 1.415 55.264 54.000 -0.251 0.000 0.846 290 D CB -0.341 40.272 40.800 -0.312 0.000 0.941 290 D HN 0.621 nan 8.370 nan 0.000 0.456 291 H N -0.585 118.420 119.070 -0.109 0.000 2.344 291 H HA 0.050 4.606 4.556 -0.001 0.000 0.307 291 H C 2.097 177.308 175.328 -0.195 0.000 1.057 291 H CA 0.158 56.110 56.048 -0.159 0.000 1.373 291 H CB -0.771 28.953 29.762 -0.064 0.000 1.421 291 H HN 0.060 nan 8.280 nan 0.000 0.532 292 L N 1.730 122.984 121.223 0.051 0.000 2.263 292 L HA -0.084 4.255 4.340 -0.000 0.000 0.216 292 L C 2.298 179.241 176.870 0.121 0.000 1.111 292 L CA 1.410 56.304 54.840 0.091 0.000 0.773 292 L CB -0.862 41.368 42.059 0.284 0.000 0.906 292 L HN 0.211 nan 8.230 nan 0.000 0.439 293 A N -0.916 121.915 122.820 0.019 0.000 1.972 293 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 293 A C 2.266 179.730 177.584 -0.200 0.000 1.169 293 A CA 1.779 53.764 52.037 -0.086 0.000 0.635 293 A CB -1.157 17.487 19.000 -0.595 0.000 0.810 293 A HN 0.488 nan 8.150 nan 0.000 0.446 294 V N -2.228 117.407 119.914 -0.465 0.000 2.720 294 V HA -0.071 4.048 4.120 -0.000 0.000 0.256 294 V C 1.805 177.873 176.094 -0.043 0.000 1.082 294 V CA 1.693 63.757 62.300 -0.394 0.000 1.101 294 V CB -0.846 30.697 31.823 -0.467 0.000 0.693 294 V HN 0.440 nan 8.190 nan 0.000 0.479 295 L N -0.120 121.062 121.223 -0.068 0.000 2.627 295 L HA 0.278 4.617 4.340 -0.000 0.000 0.233 295 L C 0.824 177.629 176.870 -0.108 0.000 1.144 295 L CA -0.159 54.642 54.840 -0.064 0.000 0.892 295 L CB -0.370 41.593 42.059 -0.159 0.000 1.039 295 L HN 0.319 nan 8.230 nan 0.000 0.442 296 R N -1.098 119.335 120.500 -0.112 0.000 3.092 296 R HA -0.153 4.186 4.340 -0.000 0.000 0.245 296 R C -2.237 173.968 176.300 -0.158 0.000 0.881 296 R CA 0.037 56.033 56.100 -0.174 0.000 0.614 296 R CB -2.046 28.016 30.300 -0.397 0.000 1.128 296 R HN 0.246 nan 8.270 nan 0.000 0.483 297 P HA 0.046 nan 4.420 nan 0.000 0.272 297 P C 0.671 177.855 177.300 -0.194 0.000 1.254 297 P CA -0.290 62.727 63.100 -0.137 0.000 0.795 297 P CB 0.546 32.215 31.700 -0.052 0.000 1.022 298 D N -1.200 119.035 120.400 -0.275 0.000 2.355 298 D HA 0.152 4.792 4.640 -0.000 0.000 0.206 298 D C -0.089 176.056 176.300 -0.258 0.000 1.010 298 D CA 0.781 54.653 54.000 -0.213 0.000 0.875 298 D CB 0.770 41.318 40.800 -0.420 0.000 0.966 298 D HN 0.056 nan 8.370 nan 0.000 0.512 299 V N 0.768 120.536 119.914 -0.243 0.000 2.946 299 V HA 0.357 4.476 4.120 -0.000 0.000 0.258 299 V C -2.171 173.934 176.094 0.019 0.000 1.726 299 V CA -0.912 61.293 62.300 -0.158 0.000 0.940 299 V CB 1.291 33.096 31.823 -0.031 0.000 1.309 299 V HN 0.132 nan 8.190 nan 0.000 0.458 300 W N 6.664 127.993 121.300 0.049 0.000 2.785 300 W HA 0.910 5.570 4.660 -0.001 0.000 0.333 300 W C -1.888 174.678 176.519 0.077 0.000 1.062 300 W CA -1.440 55.889 57.345 -0.027 0.000 1.233 300 W CB 0.805 30.231 29.460 -0.057 0.000 1.413 300 W HN 0.502 nan 8.180 nan 0.000 0.489 304 G N 3.913 112.673 108.800 -0.065 0.000 2.827 304 G HA2 0.667 4.627 3.960 -0.000 0.000 0.296 304 G HA3 0.667 4.627 3.960 -0.000 0.000 0.296 304 G C -1.025 174.051 174.900 0.294 0.000 1.362 304 G CA -0.551 44.531 45.100 -0.031 0.000 0.809 304 G HN 0.639 nan 8.290 nan 0.000 0.522 305 H N -2.326 116.908 119.070 0.273 0.000 2.499 305 H HA 0.787 5.343 4.556 -0.000 0.000 0.352 305 H C 0.447 175.784 175.328 0.015 0.000 1.237 305 H CA -0.711 55.399 56.048 0.103 0.000 1.343 305 H CB 1.288 30.941 29.762 -0.182 0.000 1.578 305 H HN 1.064 nan 8.280 nan 0.000 0.577 306 C N -0.423 118.977 119.300 0.166 0.000 3.295 306 C HA 0.839 5.299 4.460 -0.000 0.000 0.341 306 C C 0.213 175.247 174.990 0.073 0.000 1.418 306 C CA -0.472 58.613 59.018 0.113 0.000 1.240 306 C CB 0.977 28.744 27.740 0.044 0.000 1.562 306 C HN 1.271 nan 8.230 nan 0.000 0.457 307 G N 0.211 109.058 108.800 0.079 0.000 2.356 307 G HA2 0.626 4.586 3.960 -0.000 0.000 0.322 307 G HA3 0.626 4.586 3.960 -0.000 0.000 0.322 307 G C 0.133 175.065 174.900 0.052 0.000 1.125 307 G CA 0.101 45.255 45.100 0.090 0.000 0.885 307 G HN 1.609 nan 8.290 nan 0.000 0.467 308 G N 0.619 109.445 108.800 0.044 0.000 2.339 308 G HA2 0.432 4.392 3.960 -0.000 0.000 0.287 308 G HA3 0.432 4.392 3.960 -0.000 0.000 0.287 308 G C 0.677 175.625 174.900 0.080 0.000 1.163 308 G CA -0.571 44.542 45.100 0.022 0.000 0.872 308 G HN 0.555 nan 8.290 nan 0.000 0.464 309 L N 1.675 122.938 121.223 0.067 0.000 2.590 309 L HA 0.281 4.621 4.340 -0.000 0.000 0.227 309 L C 0.918 177.900 176.870 0.186 0.000 1.099 309 L CA -0.109 54.818 54.840 0.144 0.000 0.872 309 L CB -0.070 42.045 42.059 0.092 0.000 1.088 309 L HN 0.239 nan 8.230 nan 0.000 0.479 310 R N 0.896 121.441 120.500 0.074 0.000 2.368 310 R HA 0.083 4.422 4.340 -0.000 0.000 0.302 310 R C 1.155 177.388 176.300 -0.111 0.000 1.002 310 R CA -0.285 55.839 56.100 0.041 0.000 0.929 310 R CB 1.112 31.411 30.300 -0.002 0.000 1.073 310 R HN -0.042 nan 8.270 nan 0.000 0.464 311 E N 2.133 122.259 120.200 -0.124 0.000 2.070 311 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 311 E C 0.833 177.279 176.600 -0.257 0.000 1.004 311 E CA 2.321 58.500 56.400 -0.368 0.000 0.805 311 E CB 0.178 29.857 29.700 -0.034 0.000 0.744 311 E HN 0.568 nan 8.360 nan 0.000 0.451 312 S N -0.128 115.495 115.700 -0.129 0.000 2.537 312 S HA -0.104 4.366 4.470 -0.000 0.000 0.240 312 S C 0.946 175.478 174.600 -0.113 0.000 0.981 312 S CA 0.201 58.340 58.200 -0.101 0.000 0.948 312 S CB -0.225 62.939 63.200 -0.060 0.000 0.759 312 S HN 0.228 nan 8.310 nan 0.000 0.531 313 Q N 0.855 120.573 119.800 -0.136 0.000 2.259 313 Q HA 0.691 5.031 4.340 -0.000 0.000 0.249 313 Q C -0.535 175.382 176.000 -0.140 0.000 0.914 313 Q CA -0.287 55.443 55.803 -0.121 0.000 0.904 313 Q CB 1.522 30.201 28.738 -0.100 0.000 1.213 313 Q HN 0.496 nan 8.270 nan 0.000 0.428 314 A N 2.754 125.495 122.820 -0.131 0.000 2.365 314 A HA 0.507 4.827 4.320 -0.000 0.000 0.318 314 A C -0.419 177.094 177.584 -0.119 0.000 1.091 314 A CA -0.801 51.152 52.037 -0.139 0.000 0.763 314 A CB 0.726 19.625 19.000 -0.167 0.000 1.248 314 A HN 0.782 nan 8.150 nan 0.000 0.442 315 I N 1.767 122.288 120.570 -0.082 0.000 2.821 315 I HA 0.189 4.359 4.170 -0.000 0.000 0.294 315 I C 1.464 177.572 176.117 -0.015 0.000 1.210 315 I CA 2.065 63.356 61.300 -0.016 0.000 1.430 315 I CB 0.201 38.240 38.000 0.066 0.000 1.356 315 I HN 1.117 nan 8.210 nan 0.000 0.563 316 G N 4.102 112.891 108.800 -0.018 0.000 2.231 316 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.206 316 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.206 316 G C 0.029 174.685 174.900 -0.407 0.000 0.996 316 G CA -0.483 44.556 45.100 -0.103 0.000 0.645 316 G HN 0.561 nan 8.290 nan 0.000 0.498 317 D N -0.055 120.147 120.400 -0.331 0.000 2.371 317 D HA 0.563 5.202 4.640 -0.000 0.000 0.242 317 D C 0.146 176.145 176.300 -0.502 0.000 1.218 317 D CA 0.360 54.115 54.000 -0.409 0.000 0.945 317 D CB 0.338 41.020 40.800 -0.196 0.000 1.137 317 D HN 0.198 nan 8.370 nan 0.000 0.464 318 Y N -0.994 119.278 120.300 -0.046 0.000 2.528 318 Y HA 0.533 5.083 4.550 -0.000 0.000 0.335 318 Y C 0.084 175.966 175.900 -0.030 0.000 1.093 318 Y CA -0.993 57.076 58.100 -0.053 0.000 1.134 318 Y CB 1.454 39.888 38.460 -0.044 0.000 1.253 318 Y HN -0.085 nan 8.280 nan 0.000 0.478 319 V N 3.406 123.422 119.914 0.170 0.000 2.525 319 V HA 0.322 4.441 4.120 -0.000 0.000 0.299 319 V C -1.259 174.887 176.094 0.085 0.000 1.034 319 V CA -0.753 61.594 62.300 0.078 0.000 0.863 319 V CB 1.915 33.756 31.823 0.030 0.000 0.999 319 V HN 0.521 nan 8.190 nan 0.000 0.423 320 L N 5.205 126.460 121.223 0.053 0.000 2.264 320 L HA 0.824 5.164 4.340 -0.000 0.000 0.287 320 L C 0.606 177.470 176.870 -0.011 0.000 1.039 320 L CA -0.113 54.765 54.840 0.062 0.000 0.829 320 L CB 0.856 42.979 42.059 0.107 0.000 1.211 320 L HN 0.783 nan 8.230 nan 0.000 0.427 321 A N 3.771 126.584 122.820 -0.011 0.000 2.492 321 A HA 0.331 4.651 4.320 -0.000 0.000 0.254 321 A C 0.430 177.967 177.584 -0.078 0.000 1.091 321 A CA 0.323 52.276 52.037 -0.141 0.000 0.768 321 A CB -0.223 18.622 19.000 -0.258 0.000 1.028 321 A HN 0.954 nan 8.150 nan 0.000 0.498 322 H N 0.330 119.259 119.070 -0.235 0.000 2.923 322 H HA 0.631 5.187 4.556 -0.000 0.000 0.268 322 H C -0.262 174.952 175.328 -0.190 0.000 1.148 322 H CA -0.139 55.818 56.048 -0.151 0.000 1.146 322 H CB -0.569 29.142 29.762 -0.086 0.000 1.607 322 H HN 1.138 nan 8.280 nan 0.000 0.566 323 A N -0.085 122.621 122.820 -0.189 0.000 2.522 323 A HA 0.564 4.883 4.320 -0.000 0.000 0.291 323 A C -2.291 174.982 177.584 -0.519 0.000 1.039 323 A CA -0.880 50.994 52.037 -0.272 0.000 0.643 323 A CB 0.541 19.412 19.000 -0.215 0.000 1.310 323 A HN 0.154 nan 8.150 nan 0.000 0.436 324 Y N -0.733 119.555 120.300 -0.021 0.000 2.457 324 Y HA 0.599 5.149 4.550 -0.000 0.000 0.343 324 Y C -0.423 175.426 175.900 -0.086 0.000 0.994 324 Y CA -0.656 57.410 58.100 -0.057 0.000 1.031 324 Y CB 2.146 40.562 38.460 -0.073 0.000 1.246 324 Y HN 0.645 nan 8.280 nan 0.000 0.449 325 L N 4.158 125.398 121.223 0.029 0.000 2.259 325 L HA 0.495 4.834 4.340 -0.000 0.000 0.288 325 L C -0.193 176.654 176.870 -0.038 0.000 1.051 325 L CA -0.540 54.283 54.840 -0.028 0.000 0.824 325 L CB 0.343 42.349 42.059 -0.089 0.000 1.206 325 L HN 0.541 nan 8.230 nan 0.000 0.429 326 R N 3.616 124.090 120.500 -0.043 0.000 2.878 326 R HA 0.123 4.463 4.340 -0.000 0.000 0.239 326 R C -0.447 175.765 176.300 -0.147 0.000 1.515 326 R CA 0.035 56.078 56.100 -0.095 0.000 1.210 326 R CB -0.143 30.098 30.300 -0.099 0.000 1.209 326 R HN 0.559 nan 8.270 nan 0.000 0.610 327 D N 0.996 121.282 120.400 -0.190 0.000 2.491 327 D HA -0.038 4.601 4.640 -0.000 0.000 0.228 327 D C 0.362 176.337 176.300 -0.541 0.000 1.183 327 D CA 0.231 54.037 54.000 -0.323 0.000 0.827 327 D CB 0.597 41.312 40.800 -0.143 0.000 0.989 327 D HN 0.472 nan 8.370 nan 0.000 0.494 328 D N -1.119 119.039 120.400 -0.404 0.000 2.333 328 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 328 D C 0.992 177.148 176.300 -0.240 0.000 0.984 328 D CA 0.419 54.245 54.000 -0.291 0.000 0.873 328 D CB -0.041 40.652 40.800 -0.177 0.000 0.935 328 D HN 0.074 nan 8.370 nan 0.000 0.521 329 H N -0.706 118.351 119.070 -0.021 0.000 5.197 329 H HA -0.230 4.326 4.556 -0.001 0.000 0.082 329 H C 1.863 177.178 175.328 -0.022 0.000 0.552 329 H CA 1.494 57.533 56.048 -0.015 0.000 1.126 329 H CB -1.616 28.145 29.762 -0.001 0.000 0.581 329 H HN 0.266 nan 8.280 nan 0.000 0.658 330 V N 1.505 121.461 119.914 0.070 0.000 2.546 330 V HA -0.188 3.931 4.120 -0.000 0.000 0.254 330 V C 2.139 178.234 176.094 0.003 0.000 1.076 330 V CA 2.420 64.737 62.300 0.028 0.000 1.087 330 V CB -0.390 31.427 31.823 -0.009 0.000 0.674 330 V HN 0.379 nan 8.190 nan 0.000 0.470 331 L N -0.987 120.225 121.223 -0.019 0.000 2.906 331 L HA 0.219 4.558 4.340 -0.000 0.000 0.255 331 L C 1.555 178.413 176.870 -0.021 0.000 1.166 331 L CA -0.013 54.808 54.840 -0.032 0.000 0.977 331 L CB 0.115 42.130 42.059 -0.073 0.000 1.313 331 L HN 0.219 nan 8.230 nan 0.000 0.549 332 D N 1.209 121.611 120.400 0.004 0.000 2.149 332 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 332 D C 2.178 178.485 176.300 0.012 0.000 0.990 332 D CA 1.432 55.440 54.000 0.014 0.000 0.839 332 D CB 0.171 41.002 40.800 0.053 0.000 0.948 332 D HN 0.344 nan 8.370 nan 0.000 0.460 333 A N 0.498 123.327 122.820 0.015 0.000 1.835 333 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 333 A C 2.396 179.986 177.584 0.010 0.000 1.199 333 A CA 2.236 54.281 52.037 0.014 0.000 0.615 333 A CB -1.022 17.988 19.000 0.017 0.000 0.838 333 A HN 0.230 nan 8.150 nan 0.000 0.444 334 V N -3.603 116.315 119.914 0.007 0.000 2.970 334 V HA 0.227 4.347 4.120 -0.000 0.000 0.260 334 V C 0.717 176.811 176.094 0.001 0.000 1.100 334 V CA 1.357 63.660 62.300 0.005 0.000 1.122 334 V CB -0.418 31.406 31.823 0.002 0.000 0.721 334 V HN 0.414 nan 8.190 nan 0.000 0.483 335 L N 1.388 122.606 121.223 -0.008 0.000 2.534 335 L HA 0.653 4.993 4.340 -0.000 0.000 0.259 335 L C -2.875 173.981 176.870 -0.024 0.000 1.108 335 L CA -1.839 52.993 54.840 -0.013 0.000 0.905 335 L CB 1.313 43.351 42.059 -0.035 0.000 1.138 335 L HN -0.010 nan 8.230 nan 0.000 0.475 336 P HA 0.048 nan 4.420 nan 0.000 0.263 336 P C -2.070 175.216 177.300 -0.023 0.000 1.168 336 P CA -0.518 62.578 63.100 -0.007 0.000 0.759 336 P CB 0.201 31.902 31.700 0.002 0.000 0.782 337 P HA -0.182 nan 4.420 nan 0.000 0.222 337 P C 0.703 177.986 177.300 -0.027 0.000 1.142 337 P CA 1.428 64.512 63.100 -0.026 0.000 0.788 337 P CB -0.178 31.519 31.700 -0.005 0.000 0.767 338 D N -1.926 118.463 120.400 -0.017 0.000 2.328 338 D HA -0.024 4.616 4.640 -0.000 0.000 0.221 338 D C 0.337 176.626 176.300 -0.018 0.000 1.072 338 D CA 0.135 54.127 54.000 -0.013 0.000 0.850 338 D CB -0.146 40.654 40.800 -0.002 0.000 0.922 338 D HN 0.073 nan 8.370 nan 0.000 0.516 339 I N 3.334 123.884 120.570 -0.035 0.000 2.352 339 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 339 I C -2.038 174.020 176.117 -0.099 0.000 1.036 339 I CA -2.760 58.516 61.300 -0.041 0.000 1.336 339 I CB 0.490 38.467 38.000 -0.039 0.000 1.407 339 I HN -0.142 nan 8.210 nan 0.000 0.497 340 P HA 0.245 nan 4.420 nan 0.000 0.276 340 P C -0.722 176.454 177.300 -0.206 0.000 1.243 340 P CA -0.255 62.792 63.100 -0.088 0.000 0.768 340 P CB 1.142 32.833 31.700 -0.016 0.000 0.856 341 I N 6.235 126.674 120.570 -0.220 0.000 2.330 341 I HA 0.264 4.433 4.170 -0.000 0.000 0.286 341 I C -1.260 174.890 176.117 0.055 0.000 1.025 341 I CA -2.509 58.626 61.300 -0.276 0.000 1.197 341 I CB 0.590 38.428 38.000 -0.271 0.000 1.358 341 I HN 0.267 nan 8.210 nan 0.000 0.467 342 P HA 0.354 nan 4.420 nan 0.000 0.293 342 P C -0.417 177.045 177.300 0.270 0.000 1.304 342 P CA -0.381 62.824 63.100 0.176 0.000 0.767 342 P CB 1.077 32.869 31.700 0.153 0.000 1.247 343 S N -0.231 115.556 115.700 0.145 0.000 2.578 343 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 343 S C 0.208 174.807 174.600 -0.000 0.000 1.195 343 S CA -0.568 57.703 58.200 0.118 0.000 1.050 343 S CB 0.309 63.552 63.200 0.071 0.000 1.012 343 S HN 0.220 nan 8.310 nan 0.000 0.511 344 I N 3.077 123.575 120.570 -0.121 0.000 2.291 344 I HA 0.221 4.390 4.170 -0.000 0.000 0.292 344 I C 1.445 177.511 176.117 -0.084 0.000 1.064 344 I CA -0.659 60.542 61.300 -0.165 0.000 1.269 344 I CB -0.445 37.353 38.000 -0.337 0.000 1.418 344 I HN 0.808 nan 8.210 nan 0.000 0.485 345 A N 6.150 128.939 122.820 -0.051 0.000 1.896 345 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 345 A C 1.989 179.555 177.584 -0.029 0.000 1.206 345 A CA 2.013 54.030 52.037 -0.033 0.000 0.647 345 A CB -0.394 18.589 19.000 -0.028 0.000 0.828 345 A HN 0.682 nan 8.150 nan 0.000 0.455 346 E N -0.410 119.767 120.200 -0.038 0.000 2.058 346 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 346 E C 1.904 178.495 176.600 -0.015 0.000 0.997 346 E CA 1.425 57.810 56.400 -0.024 0.000 0.801 346 E CB -0.593 29.088 29.700 -0.032 0.000 0.746 346 E HN 0.407 nan 8.360 nan 0.000 0.450 347 V N 1.136 121.027 119.914 -0.039 0.000 2.548 347 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 347 V C 2.174 178.283 176.094 0.025 0.000 1.055 347 V CA 1.367 63.659 62.300 -0.013 0.000 1.065 347 V CB -0.480 31.314 31.823 -0.048 0.000 0.681 347 V HN 0.228 nan 8.190 nan 0.000 0.462 348 Q N 0.352 120.163 119.800 0.019 0.000 2.046 348 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 348 Q C 2.464 178.506 176.000 0.070 0.000 0.975 348 Q CA 1.546 57.377 55.803 0.047 0.000 0.836 348 Q CB -0.329 28.421 28.738 0.020 0.000 0.896 348 Q HN 0.613 nan 8.270 nan 0.000 0.428 349 R N 0.521 121.047 120.500 0.043 0.000 2.083 349 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 349 R C 2.363 178.726 176.300 0.106 0.000 1.137 349 R CA 1.326 57.469 56.100 0.071 0.000 0.951 349 R CB -0.557 29.765 30.300 0.037 0.000 0.851 349 R HN 0.236 nan 8.270 nan 0.000 0.434 350 A N 1.397 124.258 122.820 0.068 0.000 1.873 350 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 350 A C 2.074 179.695 177.584 0.063 0.000 1.193 350 A CA 1.304 53.375 52.037 0.057 0.000 0.629 350 A CB -0.550 18.476 19.000 0.042 0.000 0.826 350 A HN 0.105 nan 8.150 nan 0.000 0.447 351 L N -1.933 119.335 121.223 0.075 0.000 2.042 351 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 351 L C 2.346 179.268 176.870 0.087 0.000 1.076 351 L CA 1.881 56.762 54.840 0.069 0.000 0.749 351 L CB -1.676 40.437 42.059 0.090 0.000 0.893 351 L HN 0.593 nan 8.230 nan 0.000 0.432 352 Y N 1.031 121.331 120.300 0.000 0.000 2.070 352 Y HA -0.261 4.289 4.550 -0.000 0.000 0.279 352 Y C 2.519 178.417 175.900 -0.005 0.000 1.134 352 Y CA 1.925 60.026 58.100 0.000 0.000 1.113 352 Y CB -0.239 38.225 38.460 0.007 0.000 0.981 352 Y HN 0.268 nan 8.280 nan 0.000 0.487 353 D N -0.080 120.401 120.400 0.136 0.000 2.149 353 D HA -0.214 4.426 4.640 -0.000 0.000 0.198 353 D C 2.231 178.511 176.300 -0.035 0.000 0.990 353 D CA 1.483 55.505 54.000 0.037 0.000 0.839 353 D CB -0.677 40.167 40.800 0.074 0.000 0.948 353 D HN 0.472 nan 8.370 nan 0.000 0.460 354 A N 0.326 123.130 122.820 -0.027 0.000 1.940 354 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 354 A C 2.350 179.873 177.584 -0.101 0.000 1.176 354 A CA 2.025 54.030 52.037 -0.054 0.000 0.631 354 A CB -0.754 18.217 19.000 -0.048 0.000 0.814 354 A HN 0.233 nan 8.150 nan 0.000 0.446 355 T N -0.522 113.945 114.554 -0.145 0.000 2.904 355 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 355 T C 1.917 176.520 174.700 -0.163 0.000 1.059 355 T CA 1.411 63.396 62.100 -0.191 0.000 1.137 355 T CB -0.081 68.649 68.868 -0.229 0.000 0.879 355 T HN 0.507 nan 8.240 nan 0.000 0.467 356 K N 0.713 120.995 120.400 -0.196 0.000 2.026 356 K HA 0.019 4.339 4.320 -0.000 0.000 0.208 356 K C 2.187 178.742 176.600 -0.076 0.000 1.048 356 K CA 1.089 57.285 56.287 -0.152 0.000 0.929 356 K CB -0.287 32.128 32.500 -0.143 0.000 0.713 356 K HN 0.288 nan 8.250 nan 0.000 0.439 357 L N 0.271 121.459 121.223 -0.059 0.000 1.988 357 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 357 L C 2.391 179.244 176.870 -0.027 0.000 1.071 357 L CA 0.941 55.762 54.840 -0.032 0.000 0.744 357 L CB -0.715 41.331 42.059 -0.022 0.000 0.893 357 L HN -0.019 nan 8.230 nan 0.000 0.433 358 V N 0.133 120.023 119.914 -0.039 0.000 2.343 358 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 358 V C 2.538 178.629 176.094 -0.006 0.000 1.051 358 V CA 2.035 64.317 62.300 -0.029 0.000 1.036 358 V CB -0.647 31.143 31.823 -0.055 0.000 0.654 358 V HN 0.633 nan 8.190 nan 0.000 0.451 359 S N -0.227 115.471 115.700 -0.004 0.000 2.660 359 S HA 0.273 4.742 4.470 -0.000 0.000 0.223 359 S C 1.190 175.802 174.600 0.019 0.000 0.963 359 S CA 0.443 58.667 58.200 0.040 0.000 0.932 359 S CB -0.817 62.431 63.200 0.079 0.000 0.775 359 S HN 1.164 nan 8.310 nan 0.000 0.531 360 G N 1.928 110.730 108.800 0.003 0.000 2.726 360 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 360 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 360 G C -0.273 174.624 174.900 -0.004 0.000 1.352 360 G CA -0.375 44.726 45.100 0.001 0.000 0.906 360 G HN 0.787 nan 8.290 nan 0.000 0.566 361 R N -1.932 118.565 120.500 -0.004 0.000 2.965 361 R HA -0.148 4.192 4.340 -0.000 0.000 0.245 361 R C -2.048 174.242 176.300 -0.016 0.000 0.861 361 R CA 1.468 57.564 56.100 -0.006 0.000 0.614 361 R CB -2.579 27.719 30.300 -0.004 0.000 1.229 361 R HN 0.530 nan 8.270 nan 0.000 0.503 362 P HA 0.395 nan 4.420 nan 0.000 0.329 362 P C 1.087 178.377 177.300 -0.017 0.000 1.319 362 P CA 0.470 63.551 63.100 -0.032 0.000 0.742 362 P CB 0.512 32.199 31.700 -0.022 0.000 1.564 363 G N 0.036 108.833 108.800 -0.004 0.000 2.552 363 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.267 363 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.267 363 G C 0.428 175.353 174.900 0.041 0.000 1.174 363 G CA 0.509 45.623 45.100 0.024 0.000 0.955 363 G HN 0.568 nan 8.290 nan 0.000 0.546 364 E N 1.441 121.663 120.200 0.036 0.000 2.526 364 E HA 0.203 4.553 4.350 -0.000 0.000 0.208 364 E C 1.548 178.164 176.600 0.026 0.000 0.997 364 E CA 0.895 57.324 56.400 0.049 0.000 0.961 364 E CB 0.276 30.003 29.700 0.046 0.000 1.030 364 E HN 0.802 nan 8.360 nan 0.000 0.483 365 E N 1.361 121.566 120.200 0.008 0.000 2.358 365 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 365 E C 2.137 178.730 176.600 -0.011 0.000 1.010 365 E CA 1.019 57.418 56.400 -0.002 0.000 0.856 365 E CB -0.074 29.623 29.700 -0.006 0.000 0.795 365 E HN 0.200 nan 8.360 nan 0.000 0.504 366 V N 0.446 120.343 119.914 -0.029 0.000 2.392 366 V HA -0.270 3.849 4.120 -0.000 0.000 0.249 366 V C 1.899 177.980 176.094 -0.022 0.000 1.059 366 V CA 1.532 63.795 62.300 -0.061 0.000 1.051 366 V CB -0.628 31.078 31.823 -0.195 0.000 0.658 366 V HN 0.099 nan 8.190 nan 0.000 0.455 367 K N 0.217 120.625 120.400 0.013 0.000 2.442 367 K HA -0.174 4.146 4.320 -0.000 0.000 0.199 367 K C 2.141 178.746 176.600 0.008 0.000 1.044 367 K CA 1.544 57.851 56.287 0.033 0.000 0.941 367 K CB -0.200 32.331 32.500 0.051 0.000 0.759 367 K HN 0.661 nan 8.250 nan 0.000 0.472 368 Q N -0.396 119.401 119.800 -0.005 0.000 2.398 368 Q HA -0.047 4.293 4.340 -0.000 0.000 0.204 368 Q C 1.755 177.735 176.000 -0.033 0.000 0.932 368 Q CA 0.655 56.446 55.803 -0.021 0.000 0.916 368 Q CB 0.291 29.015 28.738 -0.023 0.000 1.024 368 Q HN 0.045 nan 8.270 nan 0.000 0.504 369 R N -0.458 120.031 120.500 -0.018 0.000 2.369 369 R HA 0.200 4.540 4.340 -0.000 0.000 0.210 369 R C -0.694 175.617 176.300 0.019 0.000 0.881 369 R CA 0.107 56.192 56.100 -0.024 0.000 1.031 369 R CB 0.686 30.992 30.300 0.011 0.000 1.184 369 R HN 0.044 nan 8.270 nan 0.000 0.581 370 L N 1.134 122.384 121.223 0.046 0.000 2.356 370 L HA 0.613 4.953 4.340 -0.000 0.000 0.277 370 L C -1.375 175.529 176.870 0.056 0.000 0.996 370 L CA -0.817 54.073 54.840 0.084 0.000 0.822 370 L CB 1.600 43.700 42.059 0.069 0.000 1.256 370 L HN -0.046 nan 8.230 nan 0.000 0.413 371 R N 2.591 123.116 120.500 0.041 0.000 2.437 371 R HA 0.667 5.007 4.340 -0.000 0.000 0.310 371 R C -1.237 175.051 176.300 -0.020 0.000 0.955 371 R CA -0.202 55.900 56.100 0.002 0.000 0.851 371 R CB 1.475 31.758 30.300 -0.029 0.000 1.161 371 R HN 0.717 nan 8.270 nan 0.000 0.446 372 T N 2.890 117.413 114.554 -0.053 0.000 2.744 372 T HA 0.754 5.104 4.350 -0.000 0.000 0.291 372 T C -0.223 174.233 174.700 -0.407 0.000 0.957 372 T CA -0.030 61.978 62.100 -0.154 0.000 1.002 372 T CB 1.384 70.196 68.868 -0.092 0.000 0.919 372 T HN 0.765 nan 8.240 nan 0.000 0.468 373 G N 1.662 110.121 108.800 -0.567 0.000 2.489 373 G HA2 0.503 4.463 3.960 -0.000 0.000 0.305 373 G HA3 0.503 4.463 3.960 -0.000 0.000 0.305 373 G C -0.966 173.682 174.900 -0.420 0.000 1.311 373 G CA -0.728 43.935 45.100 -0.729 0.000 0.813 373 G HN 0.519 nan 8.290 nan 0.000 0.480 374 T N 0.365 114.854 114.554 -0.109 0.000 2.869 374 T HA 0.500 4.850 4.350 -0.000 0.000 0.295 374 T C 0.023 174.635 174.700 -0.147 0.000 0.987 374 T CA 0.022 62.102 62.100 -0.032 0.000 1.109 374 T CB 1.230 70.104 68.868 0.011 0.000 0.932 374 T HN 0.462 nan 8.240 nan 0.000 0.518 375 V N 4.212 124.010 119.914 -0.192 0.000 2.513 375 V HA 0.414 4.534 4.120 -0.000 0.000 0.299 375 V C -0.005 176.016 176.094 -0.122 0.000 1.035 375 V CA -0.809 61.400 62.300 -0.152 0.000 0.889 375 V CB 1.988 33.762 31.823 -0.082 0.000 0.988 375 V HN 0.660 nan 8.190 nan 0.000 0.440 376 V N 3.450 123.225 119.914 -0.231 0.000 2.407 376 V HA 0.446 4.566 4.120 -0.000 0.000 0.278 376 V C 0.317 176.300 176.094 -0.186 0.000 1.037 376 V CA -0.183 61.955 62.300 -0.271 0.000 0.900 376 V CB 1.638 33.113 31.823 -0.580 0.000 0.983 376 V HN 0.960 nan 8.190 nan 0.000 0.459 377 T N 3.573 118.057 114.554 -0.117 0.000 2.797 377 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 377 T C -0.131 174.491 174.700 -0.130 0.000 0.991 377 T CA -0.267 61.769 62.100 -0.107 0.000 0.979 377 T CB 1.578 70.390 68.868 -0.093 0.000 0.943 377 T HN 0.833 nan 8.240 nan 0.000 0.444 378 T N 0.707 115.200 114.554 -0.102 0.000 2.896 378 T HA 0.415 4.765 4.350 -0.000 0.000 0.297 378 T C -0.255 174.441 174.700 -0.008 0.000 1.108 378 T CA -0.809 61.249 62.100 -0.070 0.000 1.004 378 T CB 1.431 70.288 68.868 -0.018 0.000 1.159 378 T HN 0.596 nan 8.240 nan 0.000 0.499 379 D N 1.034 121.447 120.400 0.022 0.000 2.369 379 D HA 0.144 4.784 4.640 -0.000 0.000 0.211 379 D C 0.029 176.406 176.300 0.129 0.000 1.077 379 D CA -0.120 53.926 54.000 0.076 0.000 0.842 379 D CB 0.192 41.058 40.800 0.109 0.000 0.947 379 D HN 0.415 nan 8.370 nan 0.000 0.509 380 D N 0.733 121.235 120.400 0.170 0.000 2.485 380 D HA 0.152 4.791 4.640 -0.000 0.000 0.229 380 D C 1.256 177.721 176.300 0.275 0.000 1.101 380 D CA -0.607 53.514 54.000 0.202 0.000 0.906 380 D CB 1.043 41.979 40.800 0.227 0.000 1.019 380 D HN -0.076 nan 8.370 nan 0.000 0.516 381 R N 3.003 123.625 120.500 0.203 0.000 2.105 381 R HA -0.048 4.292 4.340 -0.000 0.000 0.239 381 R C 0.323 176.703 176.300 0.134 0.000 1.135 381 R CA 1.164 57.393 56.100 0.215 0.000 0.967 381 R CB 0.037 30.410 30.300 0.121 0.000 0.861 381 R HN 0.227 nan 8.270 nan 0.000 0.442 382 N N 1.436 120.165 118.700 0.048 0.000 2.597 382 N HA -0.039 4.701 4.740 -0.000 0.000 0.269 382 N C 0.354 175.794 175.510 -0.115 0.000 1.204 382 N CA 0.199 53.189 53.050 -0.101 0.000 0.947 382 N CB -0.095 38.356 38.487 -0.060 0.000 1.258 382 N HN 0.481 nan 8.380 nan 0.000 0.508 383 W N 0.594 121.929 121.300 0.058 0.000 2.421 383 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 383 W C 0.501 177.056 176.519 0.060 0.000 1.233 383 W CA 0.285 57.673 57.345 0.073 0.000 1.226 383 W CB -0.567 28.968 29.460 0.124 0.000 1.121 383 W HN 0.065 nan 8.180 nan 0.000 0.579 384 E N 1.567 121.161 120.200 -1.011 0.000 2.118 384 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 384 E C 2.240 178.674 176.600 -0.275 0.000 0.992 384 E CA 1.811 57.693 56.400 -0.864 0.000 0.804 384 E CB -0.801 28.344 29.700 -0.925 0.000 0.741 384 E HN 0.273 nan 8.360 nan 0.000 0.458 385 L N 0.101 121.204 121.223 -0.199 0.000 2.549 385 L HA -0.103 4.237 4.340 -0.000 0.000 0.230 385 L C 1.359 178.219 176.870 -0.017 0.000 1.162 385 L CA 0.971 55.759 54.840 -0.087 0.000 0.834 385 L CB -0.133 41.886 42.059 -0.067 0.000 0.947 385 L HN 0.056 nan 8.230 nan 0.000 0.452 386 R N -2.675 117.844 120.500 0.032 0.000 2.590 386 R HA 0.032 4.372 4.340 -0.000 0.000 0.410 386 R C 1.126 177.477 176.300 0.086 0.000 1.010 386 R CA -0.289 55.845 56.100 0.056 0.000 1.155 386 R CB 0.171 30.513 30.300 0.070 0.000 1.455 386 R HN 0.006 nan 8.270 nan 0.000 0.567 387 Y N 2.650 122.942 120.300 -0.014 0.000 2.003 387 Y HA -0.451 4.099 4.550 -0.000 0.000 0.261 387 Y C 2.371 178.216 175.900 -0.091 0.000 1.211 387 Y CA 2.271 60.358 58.100 -0.022 0.000 1.098 387 Y CB -0.729 37.722 38.460 -0.016 0.000 0.925 387 Y HN 0.163 nan 8.280 nan 0.000 0.498 388 S N 0.297 115.825 115.700 -0.286 0.000 2.390 388 S HA -0.392 4.078 4.470 -0.000 0.000 0.234 388 S C 2.252 176.655 174.600 -0.328 0.000 1.063 388 S CA 2.360 60.340 58.200 -0.366 0.000 1.108 388 S CB -1.651 61.454 63.200 -0.158 0.000 0.975 388 S HN 0.683 nan 8.310 nan 0.000 0.442 389 A N 1.537 124.241 122.820 -0.192 0.000 1.933 389 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 389 A C 2.472 179.953 177.584 -0.171 0.000 1.175 389 A CA 1.918 53.874 52.037 -0.135 0.000 0.628 389 A CB -1.048 17.917 19.000 -0.058 0.000 0.814 389 A HN 0.611 nan 8.150 nan 0.000 0.444 390 S N -0.060 115.485 115.700 -0.259 0.000 2.377 390 S HA 0.091 4.560 4.470 -0.000 0.000 0.223 390 S C 2.345 176.640 174.600 -0.509 0.000 1.030 390 S CA 0.904 58.878 58.200 -0.377 0.000 0.970 390 S CB -0.598 62.238 63.200 -0.606 0.000 0.830 390 S HN 0.851 nan 8.310 nan 0.000 0.473 391 A N 2.164 124.561 122.820 -0.704 0.000 1.944 391 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 391 A C 2.118 179.608 177.584 -0.157 0.000 1.237 391 A CA 2.116 53.822 52.037 -0.552 0.000 0.668 391 A CB -1.099 17.386 19.000 -0.858 0.000 0.830 391 A HN 0.435 nan 8.150 nan 0.000 0.471 392 L N -0.492 120.650 121.223 -0.136 0.000 1.989 392 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 392 L C 2.477 179.377 176.870 0.050 0.000 1.071 392 L CA 2.410 57.231 54.840 -0.032 0.000 0.749 392 L CB -0.687 41.349 42.059 -0.038 0.000 0.890 392 L HN 0.416 nan 8.230 nan 0.000 0.431 393 R N -1.734 118.815 120.500 0.082 0.000 2.096 393 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 393 R C 2.198 178.655 176.300 0.261 0.000 1.127 393 R CA 1.458 57.649 56.100 0.152 0.000 0.968 393 R CB -0.478 29.923 30.300 0.169 0.000 0.861 393 R HN 0.270 nan 8.270 nan 0.000 0.440 394 F N 1.244 121.193 119.950 -0.001 0.000 2.095 394 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 394 F C 2.206 178.019 175.800 0.021 0.000 1.104 394 F CA 1.091 59.099 58.000 0.013 0.000 1.232 394 F CB -0.984 38.058 39.000 0.069 0.000 0.987 394 F HN 0.146 nan 8.300 nan 0.000 0.475 395 N N 0.029 118.873 118.700 0.241 0.000 2.106 395 N HA -0.175 4.564 4.740 -0.000 0.000 0.188 395 N C 1.958 177.520 175.510 0.086 0.000 1.029 395 N CA 0.653 53.784 53.050 0.136 0.000 0.848 395 N CB -0.158 38.390 38.487 0.100 0.000 1.007 395 N HN 0.059 nan 8.380 nan 0.000 0.423 396 L N 1.350 122.619 121.223 0.077 0.000 2.043 396 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 396 L C 2.251 179.144 176.870 0.038 0.000 1.075 396 L CA 1.742 56.612 54.840 0.050 0.000 0.752 396 L CB -0.889 41.198 42.059 0.047 0.000 0.891 396 L HN 0.270 nan 8.230 nan 0.000 0.432 397 S N -1.720 114.003 115.700 0.038 0.000 2.575 397 S HA 0.070 4.539 4.470 -0.000 0.000 0.215 397 S C 0.672 175.274 174.600 0.004 0.000 0.966 397 S CA -0.452 57.753 58.200 0.009 0.000 0.911 397 S CB -0.042 63.148 63.200 -0.017 0.000 0.780 397 S HN 0.393 nan 8.310 nan 0.000 0.514 398 R N 0.473 120.986 120.500 0.021 0.000 3.525 398 R HA -0.125 4.215 4.340 -0.000 0.000 0.276 398 R C 0.349 176.639 176.300 -0.017 0.000 1.116 398 R CA 0.765 56.877 56.100 0.020 0.000 0.745 398 R CB -3.058 27.261 30.300 0.031 0.000 1.185 398 R HN 0.749 nan 8.270 nan 0.000 0.454 399 A N -0.160 122.623 122.820 -0.061 0.000 2.520 399 A HA 0.259 4.579 4.320 -0.000 0.000 0.235 399 A C 1.414 178.927 177.584 -0.118 0.000 1.065 399 A CA 0.639 52.576 52.037 -0.167 0.000 0.764 399 A CB 0.713 19.474 19.000 -0.398 0.000 1.002 399 A HN 0.189 nan 8.150 nan 0.000 0.502 400 V N 0.727 120.557 119.914 -0.140 0.000 3.480 400 V HA 0.543 4.662 4.120 -0.000 0.000 0.263 400 V C 0.700 176.738 176.094 -0.094 0.000 1.442 400 V CA 1.388 63.631 62.300 -0.094 0.000 1.053 400 V CB 0.100 31.862 31.823 -0.101 0.000 0.846 400 V HN 1.481 nan 8.190 nan 0.000 0.440 401 A N -0.164 122.571 122.820 -0.142 0.000 2.599 401 A HA 0.809 5.129 4.320 -0.000 0.000 0.290 401 A C -1.790 175.671 177.584 -0.205 0.000 1.101 401 A CA -0.357 51.608 52.037 -0.120 0.000 0.674 401 A CB 1.838 20.797 19.000 -0.069 0.000 1.277 401 A HN 0.207 nan 8.150 nan 0.000 0.419 402 I N 0.806 121.273 120.570 -0.171 0.000 2.686 402 I HA 0.598 4.768 4.170 -0.000 0.000 0.295 402 I C -1.776 174.279 176.117 -0.103 0.000 1.114 402 I CA -0.360 60.793 61.300 -0.246 0.000 1.038 402 I CB 1.925 39.637 38.000 -0.479 0.000 1.238 402 I HN 0.975 nan 8.210 nan 0.000 0.420 406 S N 1.400 117.039 115.700 -0.102 0.000 2.432 406 S HA -0.380 4.089 4.470 -0.000 0.000 0.266 406 S C 2.092 176.476 174.600 -0.359 0.000 1.076 406 S CA 2.373 60.536 58.200 -0.062 0.000 1.320 406 S CB -0.845 62.462 63.200 0.178 0.000 1.222 406 S HN 0.488 nan 8.310 nan 0.000 0.439 407 A N 0.562 123.111 122.820 -0.450 0.000 1.986 407 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 407 A C 2.304 179.577 177.584 -0.518 0.000 1.171 407 A CA 2.394 53.981 52.037 -0.750 0.000 0.640 407 A CB -1.328 17.473 19.000 -0.331 0.000 0.811 407 A HN 0.613 nan 8.150 nan 0.000 0.451 408 T N 0.147 114.495 114.554 -0.343 0.000 2.812 408 T HA -0.046 4.304 4.350 -0.000 0.000 0.264 408 T C 1.782 176.309 174.700 -0.288 0.000 1.042 408 T CA 1.220 63.153 62.100 -0.279 0.000 1.140 408 T CB -0.229 68.500 68.868 -0.231 0.000 0.870 408 T HN 0.308 nan 8.240 nan 0.000 0.445 409 I N 1.993 122.375 120.570 -0.314 0.000 2.179 409 I HA -0.104 4.065 4.170 -0.000 0.000 0.242 409 I C 2.908 178.959 176.117 -0.110 0.000 1.088 409 I CA 1.071 62.204 61.300 -0.278 0.000 1.357 409 I CB -1.681 36.168 38.000 -0.252 0.000 1.051 409 I HN 0.186 nan 8.210 nan 0.000 0.409 410 A N 0.919 123.537 122.820 -0.337 0.000 1.858 410 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 410 A C 2.590 179.725 177.584 -0.749 0.000 1.190 410 A CA 2.212 53.838 52.037 -0.685 0.000 0.617 410 A CB -0.969 17.499 19.000 -0.888 0.000 0.827 410 A HN 0.405 nan 8.150 nan 0.000 0.443 411 A N -1.232 121.285 122.820 -0.505 0.000 1.908 411 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 411 A C 2.135 179.631 177.584 -0.146 0.000 1.181 411 A CA 1.763 53.604 52.037 -0.326 0.000 0.627 411 A CB -0.529 18.301 19.000 -0.284 0.000 0.818 411 A HN 0.527 nan 8.150 nan 0.000 0.445 412 Q N -0.632 119.124 119.800 -0.074 0.000 2.084 412 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 412 Q C 2.256 178.454 176.000 0.330 0.000 0.978 412 Q CA 1.571 57.426 55.803 0.087 0.000 0.844 412 Q CB -0.886 27.996 28.738 0.240 0.000 0.898 412 Q HN 0.672 nan 8.270 nan 0.000 0.426 413 G N -0.101 108.975 108.800 0.460 0.000 2.421 413 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 413 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 413 G C 1.384 176.437 174.900 0.255 0.000 1.171 413 G CA 0.892 46.242 45.100 0.416 0.000 0.775 413 G HN 0.406 nan 8.290 nan 0.000 0.543 414 Y N 1.659 121.933 120.300 -0.044 0.000 2.081 414 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 414 Y C 3.082 178.968 175.900 -0.022 0.000 1.163 414 Y CA 2.312 60.449 58.100 0.063 0.000 1.135 414 Y CB -0.149 38.260 38.460 -0.084 0.000 0.970 414 Y HN 0.048 nan 8.280 nan 0.000 0.498 415 R N -0.948 119.544 120.500 -0.013 0.000 2.073 415 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 415 R C 1.663 177.777 176.300 -0.311 0.000 1.134 415 R CA 1.778 57.712 56.100 -0.276 0.000 0.952 415 R CB -0.735 29.215 30.300 -0.583 0.000 0.850 415 R HN 0.352 nan 8.270 nan 0.000 0.433 416 F N 0.486 120.480 119.950 0.073 0.000 2.731 416 F HA 0.196 4.722 4.527 -0.001 0.000 0.304 416 F C 0.181 175.873 175.800 -0.180 0.000 1.133 416 F CA -0.388 57.613 58.000 0.001 0.000 1.380 416 F CB -0.191 38.910 39.000 0.169 0.000 1.079 416 F HN -0.160 nan 8.300 nan 0.000 0.550 417 R N -0.264 120.220 120.500 -0.027 0.000 3.209 417 R HA -0.113 4.227 4.340 -0.000 0.000 0.252 417 R C -1.609 174.620 176.300 -0.119 0.000 0.958 417 R CA 0.089 56.137 56.100 -0.088 0.000 0.651 417 R CB -2.347 27.869 30.300 -0.141 0.000 1.142 417 R HN 0.047 nan 8.270 nan 0.000 0.441 418 V N 0.831 120.652 119.914 -0.154 0.000 2.482 418 V HA 0.379 4.498 4.120 -0.000 0.000 0.295 418 V C -2.032 173.882 176.094 -0.299 0.000 1.026 418 V CA -2.132 59.940 62.300 -0.381 0.000 0.856 418 V CB 2.438 33.701 31.823 -0.933 0.000 1.001 418 V HN 0.047 nan 8.190 nan 0.000 0.424 419 P HA 0.115 nan 4.420 nan 0.000 0.264 419 P C -1.349 175.821 177.300 -0.217 0.000 1.183 419 P CA 0.510 63.409 63.100 -0.334 0.000 0.763 419 P CB 0.073 31.547 31.700 -0.378 0.000 0.807 420 Y N 0.539 120.834 120.300 -0.007 0.000 2.609 420 Y HA 0.906 5.456 4.550 -0.001 0.000 0.342 420 Y C -0.165 175.850 175.900 0.191 0.000 1.058 420 Y CA -1.506 56.690 58.100 0.159 0.000 1.055 420 Y CB 1.113 39.751 38.460 0.295 0.000 1.292 420 Y HN 0.560 nan 8.280 nan 0.000 0.476 421 G N -0.105 108.959 108.800 0.440 0.000 2.703 421 G HA2 0.531 4.491 3.960 -0.000 0.000 0.294 421 G HA3 0.531 4.491 3.960 -0.000 0.000 0.294 421 G C -1.953 173.150 174.900 0.339 0.000 1.451 421 G CA -1.018 44.283 45.100 0.336 0.000 0.869 421 G HN 0.681 nan 8.290 nan 0.000 0.516 422 T N 0.600 115.341 114.554 0.310 0.000 2.879 422 T HA 0.568 4.917 4.350 -0.000 0.000 0.290 422 T C -1.145 173.669 174.700 0.190 0.000 0.993 422 T CA -0.302 61.956 62.100 0.264 0.000 0.975 422 T CB 1.503 70.581 68.868 0.350 0.000 0.981 422 T HN 0.581 nan 8.240 nan 0.000 0.439 423 L N 5.114 126.444 121.223 0.179 0.000 2.485 423 L HA 0.567 4.907 4.340 -0.000 0.000 0.260 423 L C -1.233 175.832 176.870 0.326 0.000 0.998 423 L CA -0.401 54.556 54.840 0.194 0.000 0.883 423 L CB 0.422 42.568 42.059 0.145 0.000 1.196 423 L HN 0.576 nan 8.230 nan 0.000 0.443 424 L N 2.677 124.056 121.223 0.260 0.000 2.400 424 L HA 0.599 4.939 4.340 -0.000 0.000 0.264 424 L C -0.354 176.627 176.870 0.184 0.000 1.061 424 L CA -0.799 54.205 54.840 0.272 0.000 0.799 424 L CB 1.702 43.853 42.059 0.153 0.000 1.240 424 L HN 0.574 nan 8.230 nan 0.000 0.461 425 C N 1.183 120.558 119.300 0.125 0.000 2.364 425 C HA 0.504 4.964 4.460 -0.000 0.000 0.324 425 C C 0.114 175.152 174.990 0.080 0.000 1.234 425 C CA -0.592 58.450 59.018 0.041 0.000 1.417 425 C CB 0.867 28.596 27.740 -0.018 0.000 2.101 425 C HN 0.493 nan 8.230 nan 0.000 0.466 426 V N 7.073 126.982 119.914 -0.007 0.000 2.434 426 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 426 V C 1.408 177.461 176.094 -0.068 0.000 1.005 426 V CA 1.200 63.480 62.300 -0.033 0.000 1.089 426 V CB 0.705 32.496 31.823 -0.052 0.000 0.978 426 V HN 1.060 nan 8.190 nan 0.000 0.474 427 S N 2.226 117.789 115.700 -0.229 0.000 2.535 427 S HA 0.164 4.633 4.470 -0.000 0.000 0.214 427 S C 0.290 174.762 174.600 -0.213 0.000 0.980 427 S CA 0.123 58.038 58.200 -0.474 0.000 0.907 427 S CB -0.038 62.517 63.200 -1.075 0.000 0.790 427 S HN 0.940 nan 8.310 nan 0.000 0.510 428 D N -0.277 120.061 120.400 -0.103 0.000 2.807 428 D HA 0.146 4.785 4.640 -0.000 0.000 0.279 428 D C -1.905 174.403 176.300 0.013 0.000 1.247 428 D CA -0.651 53.325 54.000 -0.041 0.000 0.749 428 D CB 0.582 41.346 40.800 -0.061 0.000 1.264 428 D HN 0.097 nan 8.370 nan 0.000 0.421 429 K N 0.873 121.298 120.400 0.042 0.000 2.592 429 K HA 0.351 4.671 4.320 -0.000 0.000 0.212 429 K C -2.154 174.525 176.600 0.133 0.000 1.013 429 K CA -1.618 54.735 56.287 0.111 0.000 1.034 429 K CB 2.246 34.801 32.500 0.091 0.000 1.292 429 K HN 0.039 nan 8.250 nan 0.000 0.521 430 P HA -0.193 nan 4.420 nan 0.000 0.216 430 P C 0.757 178.028 177.300 -0.048 0.000 1.153 430 P CA 0.899 64.023 63.100 0.040 0.000 0.858 430 P CB 0.266 32.060 31.700 0.156 0.000 0.789 431 L N -2.517 118.689 121.223 -0.028 0.000 2.610 431 L HA -0.015 4.325 4.340 -0.000 0.000 0.232 431 L C 0.335 176.852 176.870 -0.588 0.000 1.149 431 L CA 1.291 55.931 54.840 -0.334 0.000 0.872 431 L CB -1.586 40.242 42.059 -0.385 0.000 0.992 431 L HN 0.114 nan 8.230 nan 0.000 0.447 432 H N -1.768 117.277 119.070 -0.042 0.000 2.535 432 H HA 0.493 5.049 4.556 -0.001 0.000 0.232 432 H C 1.389 176.699 175.328 -0.030 0.000 1.405 432 H CA -0.131 55.899 56.048 -0.030 0.000 1.224 432 H CB 0.151 29.902 29.762 -0.020 0.000 1.763 432 H HN 0.067 nan 8.280 nan 0.000 0.529 433 G N 0.825 109.630 108.800 0.008 0.000 2.216 433 G HA2 -0.385 3.574 3.960 -0.000 0.000 0.269 433 G HA3 -0.385 3.574 3.960 -0.000 0.000 0.269 433 G C 0.558 175.460 174.900 0.004 0.000 0.981 433 G CA 0.687 45.787 45.100 -0.001 0.000 0.658 433 G HN 0.586 nan 8.290 nan 0.000 0.539 434 E N 0.152 120.364 120.200 0.021 0.000 2.947 434 E HA 0.321 4.671 4.350 -0.000 0.000 0.229 434 E C 0.537 177.133 176.600 -0.007 0.000 1.158 434 E CA -0.516 55.892 56.400 0.013 0.000 1.441 434 E CB 0.199 29.917 29.700 0.029 0.000 1.414 434 E HN 0.549 nan 8.360 nan 0.000 0.432 435 I N 1.619 122.169 120.570 -0.032 0.000 2.505 435 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 435 I C 0.376 176.460 176.117 -0.056 0.000 1.104 435 I CA 0.499 61.767 61.300 -0.053 0.000 1.387 435 I CB 0.150 38.096 38.000 -0.089 0.000 1.404 435 I HN -0.095 nan 8.210 nan 0.000 0.528 436 K N 5.920 126.280 120.400 -0.066 0.000 2.375 436 K HA 0.665 4.984 4.320 -0.000 0.000 0.249 436 K C -1.360 175.162 176.600 -0.129 0.000 0.942 436 K CA -0.921 55.316 56.287 -0.082 0.000 0.806 436 K CB 2.461 34.919 32.500 -0.069 0.000 1.227 436 K HN 0.251 nan 8.250 nan 0.000 0.430 437 L N 2.796 123.943 121.223 -0.127 0.000 2.325 437 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 437 L C -2.369 174.368 176.870 -0.221 0.000 1.023 437 L CA -2.208 52.534 54.840 -0.164 0.000 0.811 437 L CB 1.094 43.091 42.059 -0.104 0.000 1.249 437 L HN 0.391 nan 8.230 nan 0.000 0.431 438 P HA 0.296 nan 4.420 nan 0.000 0.267 438 P C 0.542 177.723 177.300 -0.199 0.000 1.328 438 P CA 0.427 63.217 63.100 -0.517 0.000 0.990 438 P CB 0.493 31.687 31.700 -0.843 0.000 1.168 439 G N 2.363 111.130 108.800 -0.056 0.000 3.505 439 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.210 439 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.210 439 G C 0.076 174.985 174.900 0.016 0.000 1.047 439 G CA -0.407 44.722 45.100 0.049 0.000 0.884 439 G HN 0.431 nan 8.290 nan 0.000 0.434 440 Q N 0.751 120.535 119.800 -0.027 0.000 2.417 440 Q HA 0.573 4.913 4.340 -0.000 0.000 0.241 440 Q C 0.558 176.551 176.000 -0.012 0.000 1.008 440 Q CA 0.134 55.922 55.803 -0.026 0.000 0.901 440 Q CB 1.170 29.882 28.738 -0.044 0.000 1.259 440 Q HN 0.606 nan 8.270 nan 0.000 0.489 441 A N 2.537 125.348 122.820 -0.015 0.000 2.505 441 A HA 0.036 4.356 4.320 -0.000 0.000 0.271 441 A C -0.011 177.563 177.584 -0.016 0.000 1.112 441 A CA 0.165 52.191 52.037 -0.019 0.000 0.781 441 A CB -0.436 18.546 19.000 -0.031 0.000 1.059 441 A HN 0.627 nan 8.150 nan 0.000 0.508 442 N N 1.820 120.520 118.700 -0.000 0.000 2.733 442 N HA 0.115 4.854 4.740 -0.000 0.000 0.271 442 N C 0.888 176.389 175.510 -0.016 0.000 1.720 442 N CA -0.394 52.670 53.050 0.024 0.000 0.803 442 N CB 0.204 38.740 38.487 0.083 0.000 1.208 442 N HN 0.695 nan 8.380 nan 0.000 0.498 443 R N 0.698 121.107 120.500 -0.153 0.000 2.224 443 R HA -0.261 4.079 4.340 -0.000 0.000 0.251 443 R C 0.642 176.702 176.300 -0.400 0.000 1.123 443 R CA 2.338 58.220 56.100 -0.362 0.000 0.944 443 R CB -0.413 29.520 30.300 -0.613 0.000 0.910 443 R HN 0.442 nan 8.270 nan 0.000 0.440 444 F N -1.411 118.546 119.950 0.013 0.000 2.407 444 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 444 F C 2.109 177.926 175.800 0.028 0.000 1.097 444 F CA 0.703 58.706 58.000 0.005 0.000 1.422 444 F CB -0.249 38.749 39.000 -0.003 0.000 1.067 444 F HN 0.179 nan 8.300 nan 0.000 0.539 445 Y N 1.330 121.681 120.300 0.086 0.000 2.201 445 Y HA -0.079 4.470 4.550 -0.001 0.000 0.292 445 Y C 2.280 178.208 175.900 0.046 0.000 1.119 445 Y CA 1.152 59.283 58.100 0.052 0.000 1.127 445 Y CB -0.611 37.863 38.460 0.024 0.000 1.019 445 Y HN -0.127 nan 8.280 nan 0.000 0.514 446 E N 0.241 120.313 120.200 -0.214 0.000 2.147 446 E HA -0.227 4.122 4.350 -0.000 0.000 0.199 446 E C 2.343 178.799 176.600 -0.239 0.000 1.005 446 E CA 1.352 57.595 56.400 -0.262 0.000 0.810 446 E CB -0.945 28.694 29.700 -0.102 0.000 0.736 446 E HN 0.654 nan 8.360 nan 0.000 0.460 447 G N 0.616 109.326 108.800 -0.150 0.000 2.448 447 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 447 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 447 G C 1.553 176.410 174.900 -0.072 0.000 1.127 447 G CA 0.889 45.934 45.100 -0.092 0.000 0.766 447 G HN 0.385 nan 8.290 nan 0.000 0.552 448 A N 0.080 122.840 122.820 -0.099 0.000 2.220 448 A HA 0.396 4.716 4.320 -0.000 0.000 0.211 448 A C 2.118 179.700 177.584 -0.004 0.000 1.176 448 A CA -0.101 51.929 52.037 -0.011 0.000 0.834 448 A CB -0.047 18.962 19.000 0.016 0.000 0.868 448 A HN 0.296 nan 8.150 nan 0.000 0.488 449 I N -0.073 120.365 120.570 -0.220 0.000 2.300 449 I HA -0.293 3.876 4.170 -0.000 0.000 0.252 449 I C 2.757 178.794 176.117 -0.134 0.000 1.119 449 I CA 1.699 62.822 61.300 -0.294 0.000 1.384 449 I CB -0.083 37.560 38.000 -0.595 0.000 1.062 449 I HN 0.450 nan 8.210 nan 0.000 0.426 450 S N 0.123 115.767 115.700 -0.092 0.000 2.362 450 S HA -0.207 4.263 4.470 -0.000 0.000 0.221 450 S C 2.030 176.632 174.600 0.004 0.000 1.032 450 S CA 1.352 59.520 58.200 -0.053 0.000 0.973 450 S CB -0.153 63.016 63.200 -0.052 0.000 0.849 450 S HN 0.468 nan 8.310 nan 0.000 0.465 451 E N -0.182 120.051 120.200 0.056 0.000 2.110 451 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 451 E C 1.928 178.607 176.600 0.130 0.000 0.988 451 E CA 1.172 57.625 56.400 0.088 0.000 0.804 451 E CB -0.377 29.412 29.700 0.147 0.000 0.745 451 E HN 0.795 nan 8.360 nan 0.000 0.458 452 H N -0.109 119.031 119.070 0.118 0.000 2.253 452 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 452 H C 2.418 177.777 175.328 0.052 0.000 1.074 452 H CA 1.372 57.495 56.048 0.126 0.000 1.263 452 H CB -0.023 29.983 29.762 0.407 0.000 1.363 452 H HN 0.219 nan 8.280 nan 0.000 0.489 453 L N 1.290 122.586 121.223 0.122 0.000 2.129 453 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 453 L C 2.218 178.986 176.870 -0.170 0.000 1.087 453 L CA 1.523 56.338 54.840 -0.042 0.000 0.757 453 L CB -0.603 41.482 42.059 0.043 0.000 0.896 453 L HN 0.374 nan 8.230 nan 0.000 0.434 454 Q N -0.485 119.221 119.800 -0.156 0.000 2.167 454 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 454 Q C 2.341 178.240 176.000 -0.169 0.000 0.970 454 Q CA 1.749 57.418 55.803 -0.223 0.000 0.855 454 Q CB -0.205 28.436 28.738 -0.161 0.000 0.911 454 Q HN 0.638 nan 8.270 nan 0.000 0.438 455 I N -0.211 120.280 120.570 -0.132 0.000 2.252 455 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 455 I C 2.253 178.296 176.117 -0.123 0.000 1.102 455 I CA 1.117 62.336 61.300 -0.136 0.000 1.385 455 I CB -0.643 37.239 38.000 -0.197 0.000 1.064 455 I HN 0.184 nan 8.210 nan 0.000 0.414 456 G N 1.564 110.276 108.800 -0.147 0.000 2.459 456 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 456 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 456 G C 1.695 176.522 174.900 -0.122 0.000 1.183 456 G CA 0.704 45.721 45.100 -0.138 0.000 0.776 456 G HN 0.299 nan 8.290 nan 0.000 0.552 457 I N 0.292 120.754 120.570 -0.181 0.000 2.208 457 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 457 I C 2.833 178.891 176.117 -0.099 0.000 1.097 457 I CA 1.346 62.538 61.300 -0.181 0.000 1.363 457 I CB -0.193 37.553 38.000 -0.422 0.000 1.051 457 I HN 0.088 nan 8.210 nan 0.000 0.413 458 R N 1.687 122.127 120.500 -0.100 0.000 2.081 458 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 458 R C 2.207 178.486 176.300 -0.035 0.000 1.131 458 R CA 1.844 57.914 56.100 -0.050 0.000 0.960 458 R CB -0.777 29.492 30.300 -0.051 0.000 0.856 458 R HN 0.351 nan 8.270 nan 0.000 0.436 459 A N 0.503 123.300 122.820 -0.038 0.000 1.908 459 A HA -0.124 4.195 4.320 -0.000 0.000 0.218 459 A C 2.321 179.902 177.584 -0.004 0.000 1.181 459 A CA 1.689 53.719 52.037 -0.011 0.000 0.627 459 A CB -0.616 18.382 19.000 -0.002 0.000 0.818 459 A HN 0.384 nan 8.150 nan 0.000 0.445 460 I N -0.289 120.272 120.570 -0.015 0.000 2.179 460 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 460 I C 2.005 178.038 176.117 -0.139 0.000 1.088 460 I CA 1.561 62.841 61.300 -0.033 0.000 1.357 460 I CB -0.576 37.413 38.000 -0.018 0.000 1.051 460 I HN 0.270 nan 8.210 nan 0.000 0.409 461 D N 1.060 121.406 120.400 -0.091 0.000 2.106 461 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 461 D C 2.319 178.575 176.300 -0.075 0.000 0.997 461 D CA 1.347 55.296 54.000 -0.086 0.000 0.834 461 D CB -0.480 40.315 40.800 -0.009 0.000 0.956 461 D HN 0.255 nan 8.370 nan 0.000 0.448 462 L N 0.198 121.401 121.223 -0.033 0.000 2.013 462 L HA -0.195 4.144 4.340 -0.000 0.000 0.212 462 L C 2.625 179.495 176.870 0.001 0.000 1.073 462 L CA 0.856 55.690 54.840 -0.009 0.000 0.753 462 L CB -0.354 41.709 42.059 0.006 0.000 0.890 462 L HN 0.081 nan 8.230 nan 0.000 0.432 463 L N -0.959 120.268 121.223 0.007 0.000 2.093 463 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 463 L C 2.812 179.735 176.870 0.089 0.000 1.085 463 L CA 0.941 55.819 54.840 0.063 0.000 0.755 463 L CB -0.481 41.646 42.059 0.114 0.000 0.904 463 L HN 0.261 nan 8.230 nan 0.000 0.435 464 R N 0.481 120.936 120.500 -0.075 0.000 2.081 464 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 464 R C 2.236 178.543 176.300 0.011 0.000 1.131 464 R CA 1.432 57.450 56.100 -0.137 0.000 0.960 464 R CB -0.183 29.767 30.300 -0.584 0.000 0.856 464 R HN 0.329 nan 8.270 nan 0.000 0.436 465 A N 0.933 123.743 122.820 -0.017 0.000 2.067 465 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 465 A C 1.690 179.300 177.584 0.042 0.000 1.158 465 A CA 0.978 53.021 52.037 0.011 0.000 0.661 465 A CB -0.240 18.758 19.000 -0.002 0.000 0.801 465 A HN 0.355 nan 8.150 nan 0.000 0.452 466 E N -0.495 119.742 120.200 0.061 0.000 2.333 466 E HA 0.036 4.386 4.350 -0.000 0.000 0.198 466 E C 1.619 178.277 176.600 0.097 0.000 1.007 466 E CA 0.616 57.060 56.400 0.073 0.000 0.845 466 E CB -0.390 29.359 29.700 0.082 0.000 0.766 466 E HN 0.671 nan 8.360 nan 0.000 0.507 467 G N 1.925 110.798 108.800 0.122 0.000 2.591 467 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.298 467 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.298 467 G C 0.568 175.575 174.900 0.179 0.000 1.195 467 G CA 0.626 45.807 45.100 0.135 0.000 0.989 467 G HN 0.286 nan 8.290 nan 0.000 0.551 468 D N 0.277 120.768 120.400 0.153 0.000 2.323 468 D HA 0.175 4.815 4.640 -0.000 0.000 0.209 468 D C 2.473 178.887 176.300 0.190 0.000 0.973 468 D CA 0.513 54.632 54.000 0.199 0.000 0.874 468 D CB -0.061 40.812 40.800 0.123 0.000 0.930 468 D HN 0.291 nan 8.370 nan 0.000 0.521 469 R N 0.444 121.018 120.500 0.122 0.000 2.133 469 R HA -0.138 4.202 4.340 -0.000 0.000 0.247 469 R C 1.935 178.294 176.300 0.099 0.000 1.151 469 R CA 0.477 56.628 56.100 0.086 0.000 0.971 469 R CB -0.803 29.532 30.300 0.059 0.000 0.866 469 R HN 0.191 nan 8.270 nan 0.000 0.447 470 L N 0.181 121.483 121.223 0.132 0.000 2.034 470 L HA -0.206 4.134 4.340 -0.000 0.000 0.217 470 L C -0.041 176.806 176.870 -0.038 0.000 1.077 470 L CA 1.893 56.768 54.840 0.059 0.000 0.769 470 L CB -0.704 41.419 42.059 0.108 0.000 0.890 470 L HN 0.241 nan 8.230 nan 0.000 0.435 471 H N -0.223 118.898 119.070 0.085 0.000 2.723 471 H HA 0.482 5.038 4.556 -0.000 0.000 0.294 471 H C 0.513 175.877 175.328 0.061 0.000 1.079 471 H CA 0.176 56.283 56.048 0.097 0.000 1.411 471 H CB 0.488 30.400 29.762 0.250 0.000 1.439 471 H HN 0.402 nan 8.280 nan 0.000 0.474 472 S N 2.241 117.991 115.700 0.083 0.000 2.786 472 S HA 0.428 4.898 4.470 -0.000 0.000 0.307 472 S C 0.878 175.499 174.600 0.034 0.000 1.121 472 S CA -1.173 57.048 58.200 0.036 0.000 0.975 472 S CB 1.784 64.980 63.200 -0.006 0.000 1.220 472 S HN 0.664 nan 8.310 nan 0.000 0.550 473 R N 0.260 120.761 120.500 0.001 0.000 2.310 473 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 473 R C 1.255 177.540 176.300 -0.025 0.000 0.933 473 R CA 0.006 56.098 56.100 -0.013 0.000 1.054 473 R CB -0.182 30.096 30.300 -0.037 0.000 0.985 473 R HN 0.599 nan 8.270 nan 0.000 0.489 474 K N 0.535 120.924 120.400 -0.018 0.000 2.442 474 K HA -0.103 4.217 4.320 -0.000 0.000 0.199 474 K C 1.088 177.675 176.600 -0.021 0.000 1.044 474 K CA 0.957 57.237 56.287 -0.012 0.000 0.941 474 K CB 0.122 32.617 32.500 -0.008 0.000 0.759 474 K HN 0.263 nan 8.250 nan 0.000 0.472 475 L N 0.048 121.243 121.223 -0.048 0.000 2.858 475 L HA 0.165 4.505 4.340 -0.000 0.000 0.251 475 L C 0.203 177.009 176.870 -0.107 0.000 1.149 475 L CA -0.373 54.398 54.840 -0.116 0.000 0.955 475 L CB 0.348 42.347 42.059 -0.100 0.000 1.289 475 L HN -0.029 nan 8.230 nan 0.000 0.542 476 R N 1.347 121.811 120.500 -0.061 0.000 2.537 476 R HA 0.170 4.510 4.340 -0.000 0.000 0.280 476 R C 0.498 176.755 176.300 -0.072 0.000 1.058 476 R CA 0.165 56.237 56.100 -0.046 0.000 1.057 476 R CB 0.718 30.983 30.300 -0.059 0.000 0.973 476 R HN 0.105 nan 8.270 nan 0.000 0.438 477 T N -1.100 113.443 114.554 -0.019 0.000 2.884 477 T HA 0.228 4.578 4.350 -0.000 0.000 0.277 477 T C 1.027 175.762 174.700 0.057 0.000 0.976 477 T CA -0.702 61.431 62.100 0.053 0.000 0.956 477 T CB 0.439 69.368 68.868 0.102 0.000 1.113 477 T HN 0.348 nan 8.240 nan 0.000 0.554 478 F N 1.576 121.544 119.950 0.030 0.000 2.234 478 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 478 F C 2.020 177.858 175.800 0.064 0.000 1.087 478 F CA 0.963 58.992 58.000 0.048 0.000 1.340 478 F CB -0.659 38.373 39.000 0.054 0.000 1.031 478 F HN 0.614 nan 8.300 nan 0.000 0.500 479 N N -0.165 118.683 118.700 0.247 0.000 2.276 479 N HA 0.008 4.747 4.740 -0.000 0.000 0.212 479 N C -0.110 175.454 175.510 0.090 0.000 1.127 479 N CA -0.093 53.064 53.050 0.178 0.000 0.834 479 N CB -0.652 37.927 38.487 0.154 0.000 1.014 479 N HN 0.010 nan 8.380 nan 0.000 0.491 480 E N 2.024 122.254 120.200 0.051 0.000 2.820 480 E HA 0.015 4.365 4.350 -0.000 0.000 0.251 480 E C -2.146 174.396 176.600 -0.097 0.000 0.944 480 E CA -1.028 55.365 56.400 -0.012 0.000 0.955 480 E CB 0.174 29.869 29.700 -0.008 0.000 0.904 480 E HN 0.268 nan 8.360 nan 0.000 0.513 481 P HA 0.017 nan 4.420 nan 0.000 0.269 481 P C -2.169 174.941 177.300 -0.317 0.000 1.215 481 P CA -0.886 62.030 63.100 -0.306 0.000 0.780 481 P CB 0.479 31.852 31.700 -0.545 0.000 0.898 482 P HA -0.114 nan 4.420 nan 0.000 0.215 482 P C 0.187 177.405 177.300 -0.137 0.000 1.157 482 P CA 1.218 63.986 63.100 -0.554 0.000 0.868 482 P CB -0.116 31.010 31.700 -0.958 0.000 0.788 483 F N 0.219 119.998 119.950 -0.286 0.000 2.563 483 F HA 0.106 4.633 4.527 -0.000 0.000 0.363 483 F C 1.688 177.495 175.800 0.011 0.000 1.123 483 F CA -0.984 56.924 58.000 -0.154 0.000 1.307 483 F CB -0.721 38.230 39.000 -0.081 0.000 1.115 483 F HN -0.160 nan 8.300 nan 0.000 0.592 484 R N 0.000 120.582 120.500 0.137 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.116 56.100 0.027 0.000 0.921 484 R CB 0.000 29.914 30.300 -0.644 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535