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 2pyi_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NXXXXXXXXX DATA SEQUENCE XGYIQAVLDR NLAENISRVL YPNDNFFEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKXXXX XXXXXNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV LPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM XFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.270 176.300 -0.050 0.000 0.893 10 R CA 0.000 56.073 56.100 -0.045 0.000 0.921 10 R CB 0.000 30.262 30.300 -0.064 0.000 0.687 11 K N 1.113 121.468 120.400 -0.075 0.000 2.361 11 K HA 0.105 4.418 4.320 -0.013 0.000 0.196 11 K C 0.923 177.493 176.600 -0.050 0.000 1.039 11 K CA 0.965 57.209 56.287 -0.071 0.000 1.001 11 K CB 0.317 32.752 32.500 -0.108 0.000 0.795 11 K HN 0.441 nan 8.250 nan 0.000 0.495 12 Q N 0.194 119.967 119.800 -0.045 0.000 2.439 12 Q HA -0.038 4.294 4.340 -0.013 0.000 0.211 12 Q C -0.053 175.938 176.000 -0.015 0.000 0.978 12 Q CA 0.410 56.195 55.803 -0.029 0.000 0.897 12 Q CB -0.018 28.704 28.738 -0.026 0.000 0.956 12 Q HN 0.125 nan 8.270 nan 0.000 0.483 13 I N 1.203 121.765 120.570 -0.013 0.000 2.421 13 I HA -0.090 4.072 4.170 -0.013 0.000 0.291 13 I C 1.279 177.398 176.117 0.004 0.000 1.089 13 I CA 0.209 61.509 61.300 -0.000 0.000 1.354 13 I CB 1.297 39.298 38.000 0.002 0.000 1.413 13 I HN 0.067 nan 8.210 nan 0.000 0.513 14 S N 4.952 120.660 115.700 0.013 0.000 2.402 14 S HA -0.134 4.328 4.470 -0.013 0.000 0.229 14 S C 1.798 176.412 174.600 0.022 0.000 1.021 14 S CA 0.829 59.038 58.200 0.015 0.000 0.974 14 S CB -0.657 62.555 63.200 0.020 0.000 0.800 14 S HN 0.607 nan 8.310 nan 0.000 0.484 15 V N -0.190 119.746 119.914 0.036 0.000 2.913 15 V HA 0.105 4.217 4.120 -0.013 0.000 0.260 15 V C 2.062 178.179 176.094 0.038 0.000 1.098 15 V CA 1.230 63.558 62.300 0.046 0.000 1.121 15 V CB -1.071 30.788 31.823 0.061 0.000 0.714 15 V HN 0.388 nan 8.190 nan 0.000 0.487 16 R N 1.068 121.580 120.500 0.019 0.000 2.310 16 R HA 0.428 4.760 4.340 -0.013 0.000 0.202 16 R C 1.191 177.485 176.300 -0.009 0.000 0.933 16 R CA 0.576 56.679 56.100 0.006 0.000 1.054 16 R CB 0.046 30.344 30.300 -0.004 0.000 0.985 16 R HN 0.779 nan 8.270 nan 0.000 0.489 17 G N 0.854 109.649 108.800 -0.009 0.000 2.627 17 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.214 17 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.214 17 G C -0.786 174.100 174.900 -0.023 0.000 1.331 17 G CA -0.964 44.122 45.100 -0.023 0.000 0.891 17 G HN 0.081 nan 8.290 nan 0.000 0.539 18 L N 0.212 121.418 121.223 -0.028 0.000 2.322 18 L HA 0.698 5.030 4.340 -0.013 0.000 0.279 18 L C 0.935 177.790 176.870 -0.024 0.000 1.036 18 L CA -0.428 54.398 54.840 -0.023 0.000 0.807 18 L CB 2.024 44.071 42.059 -0.020 0.000 1.226 18 L HN 1.157 nan 8.230 nan 0.000 0.433 19 A N 2.370 125.178 122.820 -0.020 0.000 3.016 19 A HA 0.519 4.832 4.320 -0.013 0.000 0.303 19 A C 0.642 178.220 177.584 -0.009 0.000 1.507 19 A CA -0.391 51.637 52.037 -0.016 0.000 1.196 19 A CB -0.576 18.414 19.000 -0.016 0.000 1.169 19 A HN 0.801 nan 8.150 nan 0.000 0.544 20 G N 0.424 109.219 108.800 -0.008 0.000 2.353 20 G HA2 0.321 4.273 3.960 -0.013 0.000 0.239 20 G HA3 0.321 4.273 3.960 -0.013 0.000 0.239 20 G C 1.192 176.096 174.900 0.006 0.000 1.295 20 G CA 0.165 45.264 45.100 -0.001 0.000 0.884 20 G HN 1.305 nan 8.290 nan 0.000 0.537 21 V N 0.797 120.715 119.914 0.008 0.000 2.332 21 V HA -0.181 3.931 4.120 -0.013 0.000 0.248 21 V C 2.059 178.163 176.094 0.017 0.000 1.055 21 V CA 2.357 64.664 62.300 0.011 0.000 1.038 21 V CB -0.765 31.063 31.823 0.010 0.000 0.651 21 V HN 0.759 nan 8.190 nan 0.000 0.450 22 E N 0.537 120.748 120.200 0.018 0.000 2.152 22 E HA -0.167 4.175 4.350 -0.013 0.000 0.192 22 E C 2.176 178.798 176.600 0.037 0.000 0.983 22 E CA 1.128 57.544 56.400 0.025 0.000 0.818 22 E CB -0.247 29.467 29.700 0.023 0.000 0.758 22 E HN 0.673 nan 8.360 nan 0.000 0.467 23 N N 0.653 119.373 118.700 0.034 0.000 2.106 23 N HA -0.133 4.599 4.740 -0.013 0.000 0.188 23 N C 1.779 177.316 175.510 0.045 0.000 1.029 23 N CA 0.933 54.010 53.050 0.045 0.000 0.848 23 N CB -0.148 38.352 38.487 0.020 0.000 1.007 23 N HN -0.052 nan 8.380 nan 0.000 0.423 24 V N 0.278 120.209 119.914 0.027 0.000 2.343 24 V HA -0.220 3.892 4.120 -0.013 0.000 0.247 24 V C 2.218 178.332 176.094 0.033 0.000 1.051 24 V CA 2.073 64.387 62.300 0.024 0.000 1.036 24 V CB -1.054 30.777 31.823 0.014 0.000 0.654 24 V HN 0.396 nan 8.190 nan 0.000 0.451 25 T N -0.682 113.892 114.554 0.034 0.000 2.684 25 T HA -0.255 4.087 4.350 -0.013 0.000 0.267 25 T C 1.889 176.623 174.700 0.056 0.000 1.036 25 T CA 1.918 64.040 62.100 0.037 0.000 1.148 25 T CB -0.207 68.678 68.868 0.029 0.000 0.863 25 T HN 0.627 nan 8.240 nan 0.000 0.436 26 E N 0.455 120.696 120.200 0.069 0.000 2.051 26 E HA -0.101 4.241 4.350 -0.013 0.000 0.192 26 E C 2.191 178.871 176.600 0.133 0.000 0.991 26 E CA 0.870 57.326 56.400 0.094 0.000 0.799 26 E CB -0.201 29.562 29.700 0.106 0.000 0.748 26 E HN 0.414 nan 8.360 nan 0.000 0.449 27 L N 0.585 121.894 121.223 0.143 0.000 2.042 27 L HA -0.222 4.110 4.340 -0.013 0.000 0.210 27 L C 2.600 179.580 176.870 0.184 0.000 1.076 27 L CA 1.473 56.420 54.840 0.179 0.000 0.749 27 L CB -0.297 41.834 42.059 0.119 0.000 0.893 27 L HN 0.060 nan 8.230 nan 0.000 0.432 28 K N -0.055 120.410 120.400 0.108 0.000 2.057 28 K HA -0.237 4.075 4.320 -0.013 0.000 0.207 28 K C 2.178 178.882 176.600 0.172 0.000 1.049 28 K CA 1.429 57.771 56.287 0.091 0.000 0.931 28 K CB -0.110 32.402 32.500 0.020 0.000 0.714 28 K HN 0.174 nan 8.250 nan 0.000 0.440 29 K N 0.825 121.306 120.400 0.136 0.000 2.057 29 K HA -0.123 4.189 4.320 -0.013 0.000 0.206 29 K C 1.677 178.367 176.600 0.149 0.000 1.050 29 K CA 1.397 57.757 56.287 0.121 0.000 0.935 29 K CB 0.081 32.629 32.500 0.080 0.000 0.715 29 K HN 0.059 nan 8.250 nan 0.000 0.439 30 N N 0.155 118.958 118.700 0.173 0.000 2.300 30 N HA -0.121 4.611 4.740 -0.013 0.000 0.179 30 N C 1.555 177.234 175.510 0.282 0.000 1.016 30 N CA 0.737 53.888 53.050 0.168 0.000 0.876 30 N CB -0.247 38.346 38.487 0.178 0.000 0.979 30 N HN 0.176 nan 8.380 nan 0.000 0.432 31 F N 2.542 122.604 119.950 0.186 0.000 2.069 31 F HA -0.158 4.361 4.527 -0.013 0.000 0.298 31 F C 1.988 177.904 175.800 0.193 0.000 1.113 31 F CA 1.402 59.523 58.000 0.201 0.000 1.214 31 F CB -0.175 38.907 39.000 0.135 0.000 0.978 31 F HN -0.023 nan 8.300 nan 0.000 0.474 32 N N 0.421 119.360 118.700 0.398 0.000 2.166 32 N HA -0.192 4.540 4.740 -0.013 0.000 0.186 32 N C 2.030 177.634 175.510 0.156 0.000 1.019 32 N CA 1.218 54.423 53.050 0.259 0.000 0.856 32 N CB -0.573 38.042 38.487 0.213 0.000 0.993 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.210 120.799 120.500 0.148 0.000 2.073 33 R HA -0.110 4.222 4.340 -0.013 0.000 0.234 33 R C 1.798 178.190 176.300 0.153 0.000 1.134 33 R CA 1.520 57.726 56.100 0.177 0.000 0.952 33 R CB -0.218 30.119 30.300 0.062 0.000 0.850 33 R HN 0.391 nan 8.270 nan 0.000 0.433 34 H N -0.398 118.727 119.070 0.090 0.000 2.357 34 H HA -0.116 4.432 4.556 -0.013 0.000 0.301 34 H C 1.886 177.176 175.328 -0.063 0.000 1.082 34 H CA 1.428 57.469 56.048 -0.010 0.000 1.342 34 H CB 0.057 29.778 29.762 -0.068 0.000 1.389 34 H HN 0.114 nan 8.280 nan 0.000 0.511 35 L N 0.025 121.259 121.223 0.018 0.000 2.042 35 L HA -0.224 4.108 4.340 -0.013 0.000 0.210 35 L C 2.234 179.099 176.870 -0.007 0.000 1.076 35 L CA 1.927 56.750 54.840 -0.028 0.000 0.749 35 L CB -0.466 41.590 42.059 -0.005 0.000 0.893 35 L HN 0.324 nan 8.230 nan 0.000 0.432 36 H N -1.884 117.123 119.070 -0.104 0.000 2.294 36 H HA -0.078 4.470 4.556 -0.013 0.000 0.306 36 H C 1.795 176.927 175.328 -0.327 0.000 1.065 36 H CA 2.297 58.182 56.048 -0.272 0.000 1.343 36 H CB -0.240 29.263 29.762 -0.432 0.000 1.396 36 H HN 0.301 nan 8.280 nan 0.000 0.506 37 F N -0.694 119.224 119.950 -0.054 0.000 2.335 37 F HA 0.026 4.545 4.527 -0.013 0.000 0.296 37 F C 2.533 178.254 175.800 -0.132 0.000 1.091 37 F CA 1.250 59.176 58.000 -0.124 0.000 1.399 37 F CB -0.228 38.736 39.000 -0.059 0.000 1.067 37 F HN 0.162 nan 8.300 nan 0.000 0.520 38 T N 0.004 114.593 114.554 0.058 0.000 2.901 38 T HA 0.079 4.421 4.350 -0.013 0.000 0.252 38 T C 1.969 176.600 174.700 -0.117 0.000 1.035 38 T CA 0.829 62.893 62.100 -0.059 0.000 1.142 38 T CB -0.300 68.494 68.868 -0.124 0.000 0.869 38 T HN 0.096 nan 8.240 nan 0.000 0.442 39 L N 1.312 122.473 121.223 -0.102 0.000 2.446 39 L HA 0.188 4.520 4.340 -0.013 0.000 0.219 39 L C 0.445 177.239 176.870 -0.127 0.000 1.116 39 L CA -0.055 54.715 54.840 -0.116 0.000 0.844 39 L CB -0.205 41.798 42.059 -0.094 0.000 0.970 39 L HN 0.003 nan 8.230 nan 0.000 0.457 40 V N 0.436 120.254 119.914 -0.159 0.000 5.820 40 V HA -0.277 3.835 4.120 -0.013 0.000 0.300 40 V C -0.059 175.939 176.094 -0.160 0.000 0.585 40 V CA 1.126 63.300 62.300 -0.209 0.000 0.629 40 V CB -2.288 29.430 31.823 -0.174 0.000 0.291 40 V HN 0.431 nan 8.190 nan 0.000 0.887 41 K N 1.022 121.342 120.400 -0.133 0.000 2.443 41 K HA 0.725 5.037 4.320 -0.013 0.000 0.251 41 K C -0.420 176.164 176.600 -0.027 0.000 0.972 41 K CA -0.565 55.673 56.287 -0.082 0.000 0.833 41 K CB 2.776 35.224 32.500 -0.086 0.000 1.317 41 K HN 0.467 nan 8.250 nan 0.000 0.441 42 D N -0.488 119.914 120.400 0.003 0.000 2.467 42 D HA 0.292 4.924 4.640 -0.013 0.000 0.245 42 D C 0.676 177.017 176.300 0.068 0.000 1.038 42 D CA -0.704 53.329 54.000 0.054 0.000 1.038 42 D CB 0.895 41.729 40.800 0.056 0.000 1.278 42 D HN 0.169 nan 8.370 nan 0.000 0.564 43 R N -0.244 120.326 120.500 0.117 0.000 2.293 43 R HA -0.019 4.313 4.340 -0.013 0.000 0.219 43 R C 0.914 177.288 176.300 0.124 0.000 1.091 43 R CA 0.415 56.622 56.100 0.178 0.000 1.004 43 R CB -0.464 29.947 30.300 0.185 0.000 0.865 43 R HN 0.478 nan 8.270 nan 0.000 0.469 44 N N 0.447 119.189 118.700 0.070 0.000 2.270 44 N HA -0.099 4.633 4.740 -0.013 0.000 0.181 44 N C 1.736 177.265 175.510 0.031 0.000 1.016 44 N CA 1.486 54.565 53.050 0.047 0.000 0.870 44 N CB 0.198 38.703 38.487 0.030 0.000 0.979 44 N HN 0.221 nan 8.380 nan 0.000 0.431 45 V N -2.830 117.090 119.914 0.011 0.000 3.605 45 V HA 0.510 4.622 4.120 -0.013 0.000 0.284 45 V C 0.807 176.868 176.094 -0.055 0.000 1.386 45 V CA -0.416 61.875 62.300 -0.014 0.000 1.053 45 V CB -0.417 31.393 31.823 -0.022 0.000 0.857 45 V HN 0.058 nan 8.190 nan 0.000 0.436 46 A N 2.560 125.328 122.820 -0.086 0.000 2.520 46 A HA 0.516 4.828 4.320 -0.013 0.000 0.245 46 A C 0.808 178.182 177.584 -0.350 0.000 1.072 46 A CA 0.831 52.700 52.037 -0.279 0.000 0.761 46 A CB -0.354 18.393 19.000 -0.422 0.000 1.004 46 A HN 0.813 nan 8.150 nan 0.000 0.499 47 T N 0.748 115.100 114.554 -0.336 0.000 2.927 47 T HA 0.521 4.863 4.350 -0.013 0.000 0.281 47 T C -1.990 172.581 174.700 -0.216 0.000 0.998 47 T CA -1.706 60.282 62.100 -0.187 0.000 1.019 47 T CB 1.043 69.859 68.868 -0.086 0.000 1.061 47 T HN 0.277 nan 8.240 nan 0.000 0.518 48 P HA -0.101 nan 4.420 nan 0.000 0.217 48 P C 1.610 179.011 177.300 0.169 0.000 1.148 48 P CA 0.959 64.181 63.100 0.203 0.000 0.828 48 P CB 0.051 31.843 31.700 0.155 0.000 0.783 49 R N -0.031 120.516 120.500 0.078 0.000 2.075 49 R HA -0.139 4.193 4.340 -0.013 0.000 0.232 49 R C 1.714 178.175 176.300 0.268 0.000 1.126 49 R CA 1.762 57.951 56.100 0.149 0.000 0.963 49 R CB -0.705 29.604 30.300 0.014 0.000 0.858 49 R HN 0.072 nan 8.270 nan 0.000 0.435 50 D N -0.246 120.187 120.400 0.055 0.000 2.133 50 D HA -0.210 4.422 4.640 -0.013 0.000 0.195 50 D C 1.767 178.090 176.300 0.038 0.000 0.997 50 D CA 1.436 55.425 54.000 -0.019 0.000 0.840 50 D CB -0.360 40.286 40.800 -0.256 0.000 0.947 50 D HN 0.313 nan 8.370 nan 0.000 0.452 51 Y N -0.086 120.312 120.300 0.163 0.000 2.200 51 Y HA -0.183 4.359 4.550 -0.013 0.000 0.290 51 Y C 2.314 178.345 175.900 0.217 0.000 1.137 51 Y CA 0.233 58.473 58.100 0.234 0.000 1.163 51 Y CB -1.208 37.466 38.460 0.358 0.000 0.988 51 Y HN 0.094 nan 8.280 nan 0.000 0.518 52 Y N -0.401 120.039 120.300 0.234 0.000 2.097 52 Y HA -0.303 4.239 4.550 -0.013 0.000 0.282 52 Y C 2.001 177.851 175.900 -0.083 0.000 1.152 52 Y CA 1.433 59.561 58.100 0.046 0.000 1.136 52 Y CB -1.150 37.242 38.460 -0.113 0.000 0.975 52 Y HN 0.039 nan 8.280 nan 0.000 0.498 53 F N 0.206 119.919 119.950 -0.395 0.000 2.171 53 F HA -0.131 4.389 4.527 -0.013 0.000 0.300 53 F C 2.643 178.227 175.800 -0.361 0.000 1.090 53 F CA 1.265 58.941 58.000 -0.539 0.000 1.293 53 F CB -0.845 38.047 39.000 -0.180 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.093 122.663 122.820 -0.108 0.000 1.883 54 A HA -0.203 4.109 4.320 -0.013 0.000 0.217 54 A C 2.074 179.505 177.584 -0.255 0.000 1.186 54 A CA 1.705 53.554 52.037 -0.314 0.000 0.624 54 A CB -1.065 17.400 19.000 -0.892 0.000 0.822 54 A HN 0.347 nan 8.150 nan 0.000 0.444 55 L N -0.323 120.861 121.223 -0.065 0.000 2.056 55 L HA -0.022 4.310 4.340 -0.013 0.000 0.207 55 L C 2.692 179.511 176.870 -0.085 0.000 1.078 55 L CA 2.138 57.074 54.840 0.160 0.000 0.749 55 L CB -0.871 41.361 42.059 0.289 0.000 0.901 55 L HN 0.351 nan 8.230 nan 0.000 0.433 56 A N -1.098 121.460 122.820 -0.437 0.000 1.883 56 A HA -0.290 4.022 4.320 -0.013 0.000 0.217 56 A C 2.134 179.294 177.584 -0.706 0.000 1.186 56 A CA 2.089 53.712 52.037 -0.690 0.000 0.624 56 A CB -1.152 17.059 19.000 -1.314 0.000 0.822 56 A HN 0.689 nan 8.150 nan 0.000 0.444 57 H N -0.840 117.883 119.070 -0.578 0.000 2.353 57 H HA -0.071 4.477 4.556 -0.013 0.000 0.300 57 H C 2.381 177.440 175.328 -0.448 0.000 1.090 57 H CA 1.891 57.541 56.048 -0.664 0.000 1.327 57 H CB -0.232 28.864 29.762 -1.111 0.000 1.383 57 H HN 0.463 nan 8.280 nan 0.000 0.508 58 T N -0.034 114.448 114.554 -0.120 0.000 2.708 58 T HA -0.156 4.186 4.350 -0.013 0.000 0.266 58 T C 2.284 177.156 174.700 0.287 0.000 1.037 58 T CA 1.419 63.653 62.100 0.223 0.000 1.146 58 T CB -0.432 68.627 68.868 0.319 0.000 0.865 58 T HN 0.090 nan 8.240 nan 0.000 0.435 59 V N 1.557 121.598 119.914 0.212 0.000 2.307 59 V HA -0.121 3.991 4.120 -0.013 0.000 0.245 59 V C 2.742 179.023 176.094 0.311 0.000 1.045 59 V CA 1.415 63.877 62.300 0.270 0.000 1.024 59 V CB -0.583 31.398 31.823 0.262 0.000 0.651 59 V HN 0.318 nan 8.190 nan 0.000 0.449 60 R N 0.256 120.899 120.500 0.239 0.000 2.105 60 R HA -0.199 4.133 4.340 -0.013 0.000 0.239 60 R C 1.936 178.356 176.300 0.201 0.000 1.135 60 R CA 1.921 58.168 56.100 0.245 0.000 0.967 60 R CB -0.679 29.630 30.300 0.014 0.000 0.861 60 R HN 0.513 nan 8.270 nan 0.000 0.442 61 D N -0.493 120.011 120.400 0.173 0.000 2.182 61 D HA -0.161 4.471 4.640 -0.013 0.000 0.201 61 D C 1.680 178.015 176.300 0.057 0.000 0.986 61 D CA 1.035 55.108 54.000 0.122 0.000 0.847 61 D CB -0.353 40.514 40.800 0.111 0.000 0.942 61 D HN 0.441 nan 8.370 nan 0.000 0.467 62 H N -0.425 118.714 119.070 0.114 0.000 2.524 62 H HA 0.080 4.628 4.556 -0.013 0.000 0.282 62 H C 2.035 177.406 175.328 0.072 0.000 1.016 62 H CA 0.355 56.453 56.048 0.083 0.000 1.270 62 H CB 0.402 30.205 29.762 0.068 0.000 1.394 62 H HN 0.200 nan 8.280 nan 0.000 0.568 63 L N -0.377 120.957 121.223 0.184 0.000 2.307 63 L HA -0.062 4.270 4.340 -0.013 0.000 0.211 63 L C 2.445 179.426 176.870 0.184 0.000 1.099 63 L CA 0.080 54.992 54.840 0.120 0.000 0.816 63 L CB 0.080 42.165 42.059 0.043 0.000 0.952 63 L HN 0.008 nan 8.230 nan 0.000 0.455 64 V N 0.253 120.294 119.914 0.211 0.000 2.261 64 V HA -0.233 3.879 4.120 -0.013 0.000 0.246 64 V C 2.618 178.828 176.094 0.195 0.000 1.047 64 V CA 2.175 64.634 62.300 0.265 0.000 1.015 64 V CB -1.243 30.691 31.823 0.184 0.000 0.642 64 V HN 0.558 nan 8.190 nan 0.000 0.446 65 G N -0.243 108.625 108.800 0.112 0.000 2.459 65 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.217 65 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.217 65 G C 1.733 176.680 174.900 0.078 0.000 1.183 65 G CA 0.960 46.102 45.100 0.069 0.000 0.776 65 G HN 0.446 nan 8.290 nan 0.000 0.552 66 R N -1.438 119.116 120.500 0.090 0.000 2.096 66 R HA -0.092 4.240 4.340 -0.013 0.000 0.235 66 R C 2.266 178.650 176.300 0.140 0.000 1.127 66 R CA 1.231 57.374 56.100 0.071 0.000 0.968 66 R CB -0.365 29.961 30.300 0.044 0.000 0.861 66 R HN 0.495 nan 8.270 nan 0.000 0.440 67 W N 1.484 122.769 121.300 -0.024 0.000 2.355 67 W HA -0.079 4.573 4.660 -0.013 0.000 0.309 67 W C 1.729 178.230 176.519 -0.030 0.000 1.206 67 W CA 0.940 58.271 57.345 -0.022 0.000 1.284 67 W CB -0.636 28.831 29.460 0.010 0.000 1.145 67 W HN -0.039 nan 8.180 nan 0.000 0.502 68 I N 0.112 120.738 120.570 0.092 0.000 2.179 68 I HA -0.333 3.829 4.170 -0.013 0.000 0.242 68 I C 2.683 178.783 176.117 -0.028 0.000 1.088 68 I CA 1.565 62.837 61.300 -0.047 0.000 1.357 68 I CB -0.599 37.377 38.000 -0.040 0.000 1.051 68 I HN -0.115 nan 8.210 nan 0.000 0.409 69 R N -0.022 120.478 120.500 -0.001 0.000 2.075 69 R HA -0.119 4.213 4.340 -0.013 0.000 0.232 69 R C 2.359 178.621 176.300 -0.063 0.000 1.126 69 R CA 1.940 58.027 56.100 -0.021 0.000 0.963 69 R CB -0.545 29.744 30.300 -0.019 0.000 0.858 69 R HN 0.348 nan 8.270 nan 0.000 0.435 70 T N 1.168 115.663 114.554 -0.098 0.000 2.652 70 T HA -0.163 4.180 4.350 -0.013 0.000 0.267 70 T C 1.771 176.195 174.700 -0.461 0.000 1.039 70 T CA 1.180 63.109 62.100 -0.286 0.000 1.153 70 T CB -0.126 68.629 68.868 -0.189 0.000 0.863 70 T HN 0.212 nan 8.240 nan 0.000 0.428 71 Q N 0.646 120.336 119.800 -0.182 0.000 2.167 71 Q HA -0.047 4.285 4.340 -0.013 0.000 0.202 71 Q C 2.328 178.342 176.000 0.023 0.000 0.970 71 Q CA 1.139 56.917 55.803 -0.041 0.000 0.855 71 Q CB -0.457 28.293 28.738 0.020 0.000 0.911 71 Q HN 0.502 nan 8.270 nan 0.000 0.438 72 Q N 0.213 120.009 119.800 -0.008 0.000 2.119 72 Q HA -0.176 4.156 4.340 -0.013 0.000 0.201 72 Q C 1.891 177.957 176.000 0.110 0.000 0.972 72 Q CA 1.821 57.656 55.803 0.054 0.000 0.847 72 Q CB -0.343 28.407 28.738 0.019 0.000 0.903 72 Q HN 0.558 nan 8.270 nan 0.000 0.433 73 H N -1.004 118.021 119.070 -0.074 0.000 2.352 73 H HA -0.182 4.366 4.556 -0.013 0.000 0.299 73 H C 1.071 176.435 175.328 0.061 0.000 1.097 73 H CA 2.256 58.265 56.048 -0.065 0.000 1.311 73 H CB -0.236 29.413 29.762 -0.188 0.000 1.377 73 H HN 0.357 nan 8.280 nan 0.000 0.504 74 Y N -1.129 119.209 120.300 0.063 0.000 2.293 74 Y HA -0.166 4.376 4.550 -0.013 0.000 0.291 74 Y C 2.402 178.319 175.900 0.028 0.000 1.137 74 Y CA 1.011 59.120 58.100 0.014 0.000 1.202 74 Y CB -1.314 37.217 38.460 0.118 0.000 0.990 74 Y HN 0.360 nan 8.280 nan 0.000 0.537 75 Y N 1.047 121.416 120.300 0.114 0.000 2.200 75 Y HA -0.191 4.351 4.550 -0.013 0.000 0.290 75 Y C 2.062 177.958 175.900 -0.007 0.000 1.137 75 Y CA 1.848 59.976 58.100 0.047 0.000 1.163 75 Y CB -0.173 38.304 38.460 0.029 0.000 0.988 75 Y HN 0.177 nan 8.280 nan 0.000 0.518 76 E N -0.164 120.046 120.200 0.017 0.000 2.028 76 E HA -0.185 4.157 4.350 -0.013 0.000 0.190 76 E C 2.118 178.627 176.600 -0.153 0.000 0.984 76 E CA 1.036 57.389 56.400 -0.078 0.000 0.800 76 E CB -0.179 29.521 29.700 -0.001 0.000 0.758 76 E HN 0.186 nan 8.360 nan 0.000 0.448 77 K N 1.229 121.508 120.400 -0.203 0.000 2.288 77 K HA -0.140 4.172 4.320 -0.013 0.000 0.201 77 K C -0.134 176.391 176.600 -0.127 0.000 1.048 77 K CA 0.781 56.948 56.287 -0.199 0.000 0.956 77 K CB -0.013 32.264 32.500 -0.372 0.000 0.746 77 K HN -0.017 nan 8.250 nan 0.000 0.461 78 D N 1.002 121.334 120.400 -0.113 0.000 2.735 78 D HA -0.114 4.518 4.640 -0.013 0.000 0.235 78 D C -2.390 173.875 176.300 -0.058 0.000 1.175 78 D CA 0.201 54.146 54.000 -0.092 0.000 0.683 78 D CB -0.085 40.631 40.800 -0.140 0.000 1.008 78 D HN 0.272 nan 8.370 nan 0.000 0.416 79 P HA 0.096 nan 4.420 nan 0.000 0.276 79 P C -0.109 177.153 177.300 -0.063 0.000 1.261 79 P CA -0.572 62.498 63.100 -0.050 0.000 0.800 79 P CB 0.632 32.295 31.700 -0.062 0.000 1.066 80 K N 1.394 121.760 120.400 -0.057 0.000 2.451 80 K HA 0.023 4.335 4.320 -0.013 0.000 0.280 80 K C 0.101 176.623 176.600 -0.130 0.000 1.020 80 K CA -0.132 56.115 56.287 -0.066 0.000 1.008 80 K CB 0.274 32.751 32.500 -0.037 0.000 0.917 80 K HN 0.278 nan 8.250 nan 0.000 0.478 81 R N 4.244 124.660 120.500 -0.141 0.000 2.349 81 R HA 0.327 4.659 4.340 -0.013 0.000 0.299 81 R C -0.165 175.903 176.300 -0.386 0.000 1.027 81 R CA -0.752 55.195 56.100 -0.254 0.000 0.958 81 R CB 0.617 30.771 30.300 -0.244 0.000 1.047 81 R HN 0.515 nan 8.270 nan 0.000 0.468 82 I N 4.178 124.455 120.570 -0.488 0.000 2.339 82 I HA 0.250 4.412 4.170 -0.013 0.000 0.290 82 I C -0.396 175.450 176.117 -0.451 0.000 0.994 82 I CA -1.082 59.877 61.300 -0.569 0.000 1.191 82 I CB 0.445 37.948 38.000 -0.829 0.000 1.343 82 I HN 0.409 nan 8.210 nan 0.000 0.458 83 Y N 6.037 126.301 120.300 -0.061 0.000 2.356 83 Y HA 0.291 4.833 4.550 -0.013 0.000 0.334 83 Y C -0.297 175.704 175.900 0.169 0.000 0.958 83 Y CA -0.659 57.524 58.100 0.139 0.000 1.196 83 Y CB 1.157 39.646 38.460 0.049 0.000 1.137 83 Y HN 0.406 nan 8.280 nan 0.000 0.485 84 Y N 4.665 125.154 120.300 0.315 0.000 2.504 84 Y HA 0.493 5.035 4.550 -0.013 0.000 0.339 84 Y C -1.314 174.868 175.900 0.470 0.000 0.974 84 Y CA -0.972 57.327 58.100 0.331 0.000 1.232 84 Y CB 0.282 38.936 38.460 0.324 0.000 1.108 84 Y HN 0.504 nan 8.280 nan 0.000 0.509 85 L N 4.901 126.204 121.223 0.133 0.000 2.264 85 L HA 0.513 4.845 4.340 -0.013 0.000 0.289 85 L C -0.185 176.746 176.870 0.102 0.000 1.044 85 L CA 0.075 55.055 54.840 0.234 0.000 0.807 85 L CB 1.426 43.578 42.059 0.155 0.000 1.192 85 L HN 0.553 nan 8.230 nan 0.000 0.425 86 S N 2.578 118.422 115.700 0.241 0.000 2.536 86 S HA 0.468 4.930 4.470 -0.013 0.000 0.271 86 S C 0.307 175.018 174.600 0.185 0.000 1.134 86 S CA -0.609 57.623 58.200 0.054 0.000 0.897 86 S CB 1.017 64.004 63.200 -0.355 0.000 1.094 86 S HN 0.486 nan 8.310 nan 0.000 0.473 87 L N 2.508 123.864 121.223 0.222 0.000 2.554 87 L HA 0.374 4.707 4.340 -0.013 0.000 0.226 87 L C 0.239 177.304 176.870 0.324 0.000 1.137 87 L CA 1.209 56.235 54.840 0.310 0.000 0.863 87 L CB -0.884 41.359 42.059 0.308 0.000 0.985 87 L HN 0.705 nan 8.230 nan 0.000 0.451 88 E N -0.949 119.316 120.200 0.108 0.000 2.275 88 E HA 0.367 4.709 4.350 -0.013 0.000 0.270 88 E C -1.506 174.961 176.600 -0.221 0.000 0.882 88 E CA -0.365 56.077 56.400 0.071 0.000 0.758 88 E CB 2.041 31.748 29.700 0.010 0.000 1.195 88 E HN -0.153 nan 8.360 nan 0.000 0.419 89 F N 2.262 122.320 119.950 0.180 0.000 2.646 89 F HA 0.182 4.701 4.527 -0.013 0.000 0.364 89 F C -0.712 175.174 175.800 0.144 0.000 1.137 89 F CA -0.740 57.353 58.000 0.154 0.000 1.085 89 F CB 0.904 39.987 39.000 0.138 0.000 1.331 89 F HN 0.500 nan 8.300 nan 0.000 0.472 90 Y N 5.131 125.498 120.300 0.111 0.000 2.667 90 Y HA 0.194 4.736 4.550 -0.013 0.000 0.340 90 Y C 1.047 176.962 175.900 0.025 0.000 1.303 90 Y CA -0.898 57.220 58.100 0.030 0.000 1.769 90 Y CB 0.212 38.675 38.460 0.006 0.000 1.804 90 Y HN 0.545 nan 8.280 nan 0.000 0.451 91 M N 0.843 120.544 119.600 0.169 0.000 2.349 91 M HA 0.093 4.565 4.480 -0.013 0.000 0.266 91 M C 1.550 177.804 176.300 -0.076 0.000 1.076 91 M CA 1.062 56.384 55.300 0.037 0.000 1.126 91 M CB -1.164 31.444 32.600 0.013 0.000 1.392 91 M HN 0.648 nan 8.290 nan 0.000 0.440 92 G N 1.190 109.939 108.800 -0.086 0.000 2.562 92 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.250 92 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.250 92 G C -0.267 174.567 174.900 -0.110 0.000 1.269 92 G CA -0.335 44.678 45.100 -0.145 0.000 0.919 92 G HN 0.438 nan 8.290 nan 0.000 0.574 93 R N -0.941 119.479 120.500 -0.134 0.000 2.560 93 R HA 0.593 4.925 4.340 -0.013 0.000 0.270 93 R C 1.047 177.219 176.300 -0.213 0.000 1.074 93 R CA 0.298 56.334 56.100 -0.107 0.000 1.140 93 R CB 0.665 30.912 30.300 -0.088 0.000 1.073 93 R HN 0.522 nan 8.270 nan 0.000 0.527 94 T N 0.738 115.115 114.554 -0.296 0.000 2.955 94 T HA 0.002 4.344 4.350 -0.013 0.000 0.251 94 T C 1.366 175.644 174.700 -0.704 0.000 1.002 94 T CA -0.176 61.518 62.100 -0.677 0.000 0.970 94 T CB 0.164 68.240 68.868 -1.319 0.000 1.091 94 T HN 0.320 nan 8.240 nan 0.000 0.495 95 L N 1.959 123.021 121.223 -0.267 0.000 1.970 95 L HA -0.009 4.323 4.340 -0.013 0.000 0.212 95 L C 2.420 179.251 176.870 -0.066 0.000 1.071 95 L CA 2.024 56.876 54.840 0.019 0.000 0.751 95 L CB -0.662 41.627 42.059 0.383 0.000 0.889 95 L HN 0.171 nan 8.230 nan 0.000 0.432 96 Q N -0.687 119.071 119.800 -0.071 0.000 2.084 96 Q HA -0.251 4.081 4.340 -0.013 0.000 0.202 96 Q C 2.242 178.166 176.000 -0.127 0.000 0.978 96 Q CA 1.833 57.589 55.803 -0.078 0.000 0.844 96 Q CB -0.318 28.371 28.738 -0.081 0.000 0.898 96 Q HN 0.713 nan 8.270 nan 0.000 0.426 97 N N -0.898 117.686 118.700 -0.194 0.000 2.104 97 N HA -0.157 4.575 4.740 -0.013 0.000 0.190 97 N C 1.424 176.823 175.510 -0.185 0.000 1.024 97 N CA 1.876 54.805 53.050 -0.202 0.000 0.853 97 N CB 0.040 38.373 38.487 -0.257 0.000 1.008 97 N HN 0.215 nan 8.380 nan 0.000 0.424 98 T N 1.355 115.758 114.554 -0.250 0.000 2.708 98 T HA -0.071 4.271 4.350 -0.013 0.000 0.266 98 T C 2.085 176.720 174.700 -0.109 0.000 1.037 98 T CA 1.161 63.135 62.100 -0.210 0.000 1.146 98 T CB -0.095 68.602 68.868 -0.286 0.000 0.865 98 T HN 0.269 nan 8.240 nan 0.000 0.435 99 M N 0.580 120.132 119.600 -0.080 0.000 2.117 99 M HA -0.094 4.378 4.480 -0.013 0.000 0.262 99 M C 2.497 178.763 176.300 -0.057 0.000 1.065 99 M CA 1.273 56.540 55.300 -0.055 0.000 1.114 99 M CB -0.685 31.898 32.600 -0.028 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 0.997 120.885 119.914 -0.043 0.000 2.287 100 V HA -0.289 3.823 4.120 -0.013 0.000 0.248 100 V C 1.987 178.096 176.094 0.025 0.000 1.053 100 V CA 1.830 64.137 62.300 0.011 0.000 1.027 100 V CB -0.838 30.997 31.823 0.021 0.000 0.646 100 V HN 0.508 nan 8.190 nan 0.000 0.447 101 N N -0.173 118.524 118.700 -0.005 0.000 2.396 101 N HA 0.012 4.744 4.740 -0.013 0.000 0.180 101 N C 1.433 176.842 175.510 -0.168 0.000 1.028 101 N CA 0.959 53.985 53.050 -0.041 0.000 0.893 101 N CB 0.079 38.554 38.487 -0.019 0.000 0.967 101 N HN 0.425 nan 8.380 nan 0.000 0.440 102 L N 0.255 121.400 121.223 -0.131 0.000 2.640 102 L HA 0.291 4.623 4.340 -0.013 0.000 0.230 102 L C 0.677 177.462 176.870 -0.142 0.000 1.123 102 L CA -0.181 54.582 54.840 -0.127 0.000 0.900 102 L CB 0.036 42.046 42.059 -0.082 0.000 1.146 102 L HN -0.068 nan 8.230 nan 0.000 0.484 103 A N 0.569 123.297 122.820 -0.154 0.000 2.822 103 A HA -0.210 4.102 4.320 -0.013 0.000 0.287 103 A C 0.859 178.383 177.584 -0.099 0.000 1.479 103 A CA 0.951 52.911 52.037 -0.128 0.000 0.779 103 A CB -2.027 16.885 19.000 -0.147 0.000 1.022 103 A HN 0.446 nan 8.150 nan 0.000 0.532 104 L N -1.567 119.597 121.223 -0.098 0.000 2.766 104 L HA 0.174 4.506 4.340 -0.013 0.000 0.242 104 L C 1.893 178.722 176.870 -0.069 0.000 1.136 104 L CA 0.697 55.471 54.840 -0.109 0.000 0.933 104 L CB 0.110 42.066 42.059 -0.172 0.000 1.241 104 L HN 0.644 nan 8.230 nan 0.000 0.522 105 E N 1.233 121.404 120.200 -0.048 0.000 2.031 105 E HA -0.238 4.104 4.350 -0.013 0.000 0.193 105 E C 1.634 178.219 176.600 -0.025 0.000 0.994 105 E CA 1.789 58.172 56.400 -0.029 0.000 0.800 105 E CB 0.111 29.799 29.700 -0.021 0.000 0.752 105 E HN 0.505 nan 8.360 nan 0.000 0.447 106 N N -0.488 118.195 118.700 -0.028 0.000 2.166 106 N HA -0.159 4.573 4.740 -0.013 0.000 0.186 106 N C 1.754 177.247 175.510 -0.027 0.000 1.019 106 N CA 0.744 53.777 53.050 -0.028 0.000 0.856 106 N CB -0.090 38.380 38.487 -0.028 0.000 0.993 106 N HN 0.181 nan 8.380 nan 0.000 0.426 107 A N 0.384 123.185 122.820 -0.032 0.000 1.902 107 A HA -0.144 4.169 4.320 -0.013 0.000 0.217 107 A C 2.404 179.976 177.584 -0.020 0.000 1.181 107 A CA 1.029 53.049 52.037 -0.028 0.000 0.623 107 A CB -0.846 18.128 19.000 -0.043 0.000 0.818 107 A HN 0.459 nan 8.150 nan 0.000 0.443 108 C N -0.824 118.463 119.300 -0.021 0.000 2.440 108 C HA -0.055 4.397 4.460 -0.013 0.000 0.278 108 C C 2.463 177.451 174.990 -0.004 0.000 1.295 108 C CA 1.038 60.054 59.018 -0.003 0.000 1.738 108 C CB -1.055 26.693 27.740 0.014 0.000 1.987 108 C HN 0.692 nan 8.230 nan 0.000 0.492 109 D N 0.806 121.204 120.400 -0.003 0.000 2.097 109 D HA -0.151 4.481 4.640 -0.013 0.000 0.195 109 D C 2.119 178.430 176.300 0.018 0.000 0.989 109 D CA 1.563 55.564 54.000 0.002 0.000 0.827 109 D CB -0.241 40.549 40.800 -0.015 0.000 0.966 109 D HN 0.480 nan 8.370 nan 0.000 0.456 110 E N 0.203 120.408 120.200 0.008 0.000 2.047 110 E HA -0.036 4.306 4.350 -0.013 0.000 0.191 110 E C 1.892 178.525 176.600 0.055 0.000 0.987 110 E CA 1.548 57.972 56.400 0.041 0.000 0.799 110 E CB -0.570 29.137 29.700 0.012 0.000 0.752 110 E HN 0.210 nan 8.360 nan 0.000 0.449 111 A N -0.007 122.813 122.820 -0.000 0.000 1.865 111 A HA -0.241 4.071 4.320 -0.013 0.000 0.217 111 A C 2.516 180.019 177.584 -0.135 0.000 1.191 111 A CA 3.062 55.069 52.037 -0.049 0.000 0.623 111 A CB -1.577 17.398 19.000 -0.041 0.000 0.826 111 A HN 0.526 nan 8.150 nan 0.000 0.444 112 T N -3.561 110.905 114.554 -0.147 0.000 2.821 112 T HA -0.229 4.114 4.350 -0.013 0.000 0.267 112 T C 1.844 176.458 174.700 -0.143 0.000 1.046 112 T CA 1.540 63.494 62.100 -0.242 0.000 1.139 112 T CB -0.639 68.132 68.868 -0.162 0.000 0.871 112 T HN 0.506 nan 8.240 nan 0.000 0.454 113 Y N 2.073 122.290 120.300 -0.138 0.000 2.165 113 Y HA -0.147 4.395 4.550 -0.012 0.000 0.286 113 Y C 2.751 178.587 175.900 -0.106 0.000 1.155 113 Y CA 1.666 59.705 58.100 -0.102 0.000 1.164 113 Y CB -0.353 38.067 38.460 -0.067 0.000 0.978 113 Y HN 0.223 nan 8.280 nan 0.000 0.513 114 Q N -0.097 119.635 119.800 -0.115 0.000 2.224 114 Q HA -0.132 4.201 4.340 -0.013 0.000 0.203 114 Q C 1.843 177.708 176.000 -0.224 0.000 0.970 114 Q CA 1.389 57.087 55.803 -0.175 0.000 0.865 114 Q CB -0.080 28.626 28.738 -0.054 0.000 0.922 114 Q HN 0.539 nan 8.270 nan 0.000 0.445 115 L N -0.899 120.171 121.223 -0.254 0.000 2.591 115 L HA 0.157 4.489 4.340 -0.013 0.000 0.228 115 L C 0.977 177.671 176.870 -0.293 0.000 1.133 115 L CA 0.295 54.967 54.840 -0.281 0.000 0.880 115 L CB 0.076 41.885 42.059 -0.417 0.000 1.033 115 L HN 0.331 nan 8.230 nan 0.000 0.450 116 G N 0.679 109.290 108.800 -0.314 0.000 2.149 116 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.235 116 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.235 116 G C -0.160 174.607 174.900 -0.223 0.000 1.018 116 G CA -0.145 44.785 45.100 -0.283 0.000 0.728 116 G HN 0.230 nan 8.290 nan 0.000 0.508 117 L N -0.238 120.855 121.223 -0.218 0.000 2.354 117 L HA 0.609 4.941 4.340 -0.013 0.000 0.269 117 L C -0.576 176.273 176.870 -0.034 0.000 1.005 117 L CA -1.190 53.562 54.840 -0.147 0.000 0.819 117 L CB 1.890 43.805 42.059 -0.239 0.000 1.311 117 L HN 0.069 nan 8.230 nan 0.000 0.423 118 D N 2.162 122.572 120.400 0.016 0.000 2.396 118 D HA 0.165 4.797 4.640 -0.013 0.000 0.225 118 D C 0.696 177.032 176.300 0.059 0.000 1.121 118 D CA -0.205 53.828 54.000 0.055 0.000 0.853 118 D CB 1.422 42.258 40.800 0.061 0.000 1.043 118 D HN 0.516 nan 8.370 nan 0.000 0.500 119 M N 3.142 122.775 119.600 0.055 0.000 2.149 119 M HA -0.175 4.297 4.480 -0.013 0.000 0.261 119 M C 1.290 177.635 176.300 0.075 0.000 1.064 119 M CA 1.596 56.937 55.300 0.068 0.000 1.102 119 M CB 0.205 32.836 32.600 0.051 0.000 1.369 119 M HN 0.406 nan 8.290 nan 0.000 0.408 120 E N -0.170 120.064 120.200 0.056 0.000 2.150 120 E HA -0.207 4.135 4.350 -0.013 0.000 0.193 120 E C 1.817 178.449 176.600 0.054 0.000 0.985 120 E CA 1.311 57.740 56.400 0.048 0.000 0.814 120 E CB -0.096 29.627 29.700 0.039 0.000 0.752 120 E HN 0.668 nan 8.360 nan 0.000 0.466 121 E N 0.603 120.841 120.200 0.063 0.000 2.106 121 E HA -0.144 4.198 4.350 -0.013 0.000 0.192 121 E C 2.209 178.852 176.600 0.073 0.000 0.984 121 E CA 0.639 57.078 56.400 0.065 0.000 0.806 121 E CB 0.014 29.756 29.700 0.070 0.000 0.750 121 E HN 0.244 nan 8.360 nan 0.000 0.458 122 L N 0.832 122.121 121.223 0.110 0.000 2.093 122 L HA -0.179 4.153 4.340 -0.013 0.000 0.208 122 L C 2.246 179.182 176.870 0.110 0.000 1.085 122 L CA 1.183 56.123 54.840 0.165 0.000 0.755 122 L CB -0.456 41.753 42.059 0.251 0.000 0.904 122 L HN 0.133 nan 8.230 nan 0.000 0.435 123 E N -0.043 120.211 120.200 0.089 0.000 2.160 123 E HA -0.206 4.136 4.350 -0.013 0.000 0.195 123 E C 1.930 178.485 176.600 -0.074 0.000 0.991 123 E CA 0.840 57.261 56.400 0.035 0.000 0.810 123 E CB 0.025 29.748 29.700 0.039 0.000 0.742 123 E HN 0.381 nan 8.360 nan 0.000 0.466 124 E N 0.401 120.574 120.200 -0.044 0.000 2.409 124 E HA -0.123 4.219 4.350 -0.013 0.000 0.198 124 E C 1.834 178.365 176.600 -0.114 0.000 1.024 124 E CA 0.450 56.822 56.400 -0.046 0.000 0.861 124 E CB 0.077 29.788 29.700 0.018 0.000 0.788 124 E HN 0.340 nan 8.360 nan 0.000 0.521 125 I N 0.725 121.159 120.570 -0.226 0.000 2.439 125 I HA -0.090 4.073 4.170 -0.013 0.000 0.251 125 I C 1.317 177.124 176.117 -0.516 0.000 1.139 125 I CA 0.364 61.461 61.300 -0.339 0.000 1.438 125 I CB -0.747 37.040 38.000 -0.354 0.000 1.085 125 I HN 0.099 nan 8.210 nan 0.000 0.427 126 E N 2.804 122.579 120.200 -0.709 0.000 2.376 126 E HA -0.029 4.313 4.350 -0.013 0.000 0.266 126 E C -0.123 176.392 176.600 -0.142 0.000 1.009 126 E CA -0.204 55.855 56.400 -0.568 0.000 0.902 126 E CB 0.742 30.212 29.700 -0.384 0.000 0.972 126 E HN 0.118 nan 8.360 nan 0.000 0.439 127 E N 3.495 123.710 120.200 0.026 0.000 2.354 127 E HA 0.045 4.387 4.350 -0.013 0.000 0.269 127 E C -0.764 175.937 176.600 0.168 0.000 1.036 127 E CA -0.188 56.308 56.400 0.160 0.000 0.876 127 E CB 0.646 30.536 29.700 0.317 0.000 1.009 127 E HN 0.491 nan 8.360 nan 0.000 0.416 128 D N 0.942 121.408 120.400 0.110 0.000 2.488 128 D HA 0.103 4.735 4.640 -0.013 0.000 0.238 128 D C -0.210 176.122 176.300 0.054 0.000 1.138 128 D CA 0.272 54.305 54.000 0.054 0.000 0.873 128 D CB 0.504 41.313 40.800 0.016 0.000 1.183 128 D HN 0.384 nan 8.370 nan 0.000 0.458 129 A N 2.619 125.416 122.820 -0.037 0.000 2.797 129 A HA 0.445 4.757 4.320 -0.013 0.000 0.296 129 A C 1.096 178.524 177.584 -0.260 0.000 1.580 129 A CA -0.356 51.453 52.037 -0.380 0.000 1.277 129 A CB -0.394 18.446 19.000 -0.267 0.000 1.101 129 A HN 0.547 nan 8.150 nan 0.000 0.562 130 G N 1.909 110.537 108.800 -0.286 0.000 3.741 130 G HA2 0.405 4.357 3.960 -0.013 0.000 0.263 130 G HA3 0.405 4.357 3.960 -0.013 0.000 0.263 130 G C 0.326 175.100 174.900 -0.211 0.000 1.175 130 G CA -0.310 44.767 45.100 -0.039 0.000 1.642 130 G HN 0.686 nan 8.290 nan 0.000 0.644 131 L N 1.351 122.472 121.223 -0.171 0.000 2.862 131 L HA 0.374 4.706 4.340 -0.013 0.000 0.240 131 L C 1.053 177.889 176.870 -0.057 0.000 1.283 131 L CA -0.210 54.598 54.840 -0.054 0.000 1.117 131 L CB -0.304 41.814 42.059 0.099 0.000 1.444 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 G N -1.410 107.146 108.800 -0.406 0.000 2.660 132 G HA2 0.189 4.141 3.960 -0.013 0.000 0.290 132 G HA3 0.189 4.141 3.960 -0.013 0.000 0.290 132 G C -0.135 174.211 174.900 -0.922 0.000 1.432 132 G CA -0.459 44.298 45.100 -0.572 0.000 0.807 132 G HN -0.111 nan 8.290 nan 0.000 0.485 133 N N -0.748 117.633 118.700 -0.532 0.000 2.368 133 N HA 0.188 4.920 4.740 -0.013 0.000 0.178 133 N C 1.188 176.578 175.510 -0.200 0.000 1.021 133 N CA 1.406 54.258 53.050 -0.330 0.000 0.875 133 N CB 0.940 39.380 38.487 -0.078 0.000 1.020 133 N HN 0.809 nan 8.380 nan 0.000 0.433 134 G N -0.949 107.820 108.800 -0.051 0.000 2.929 134 G HA2 0.260 4.212 3.960 -0.013 0.000 0.123 134 G HA3 0.260 4.212 3.960 -0.013 0.000 0.123 134 G C 0.699 175.745 174.900 0.244 0.000 1.212 134 G CA 0.256 45.500 45.100 0.240 0.000 1.238 134 G HN 0.161 nan 8.290 nan 0.000 0.617 135 G N 0.245 109.125 108.800 0.134 0.000 2.418 135 G HA2 -0.042 3.910 3.960 -0.013 0.000 0.217 135 G HA3 -0.042 3.910 3.960 -0.013 0.000 0.217 135 G C 1.853 176.756 174.900 0.005 0.000 1.158 135 G CA 1.410 46.548 45.100 0.063 0.000 0.771 135 G HN 0.630 nan 8.290 nan 0.000 0.545 136 L N 0.666 121.863 121.223 -0.043 0.000 2.017 136 L HA 0.095 4.427 4.340 -0.013 0.000 0.208 136 L C 2.877 179.673 176.870 -0.123 0.000 1.073 136 L CA 2.004 56.735 54.840 -0.182 0.000 0.745 136 L CB -0.574 41.332 42.059 -0.255 0.000 0.894 136 L HN 0.225 nan 8.230 nan 0.000 0.432 137 G N -0.775 108.005 108.800 -0.033 0.000 2.422 137 G HA2 -0.316 3.636 3.960 -0.013 0.000 0.218 137 G HA3 -0.316 3.636 3.960 -0.013 0.000 0.218 137 G C 1.648 176.624 174.900 0.127 0.000 1.146 137 G CA 0.767 45.870 45.100 0.006 0.000 0.769 137 G HN 0.286 nan 8.290 nan 0.000 0.547 138 R N 0.014 120.643 120.500 0.216 0.000 2.090 138 R HA 0.128 4.460 4.340 -0.013 0.000 0.228 138 R C 2.341 178.658 176.300 0.028 0.000 1.110 138 R CA 0.827 57.026 56.100 0.166 0.000 0.973 138 R CB -0.929 29.446 30.300 0.126 0.000 0.869 138 R HN 0.332 nan 8.270 nan 0.000 0.440 139 L N 0.235 121.399 121.223 -0.100 0.000 2.012 139 L HA -0.055 4.277 4.340 -0.013 0.000 0.210 139 L C 2.106 178.672 176.870 -0.506 0.000 1.073 139 L CA 2.222 56.847 54.840 -0.359 0.000 0.748 139 L CB -0.876 40.926 42.059 -0.430 0.000 0.891 139 L HN 0.261 nan 8.230 nan 0.000 0.431 140 A N -0.581 122.078 122.820 -0.269 0.000 1.908 140 A HA -0.204 4.108 4.320 -0.013 0.000 0.218 140 A C 2.446 180.083 177.584 0.089 0.000 1.181 140 A CA 2.093 54.049 52.037 -0.136 0.000 0.627 140 A CB -1.223 17.645 19.000 -0.220 0.000 0.818 140 A HN 0.588 nan 8.150 nan 0.000 0.445 141 A N -1.113 121.795 122.820 0.148 0.000 1.873 141 A HA -0.160 4.152 4.320 -0.013 0.000 0.215 141 A C 2.325 179.991 177.584 0.137 0.000 1.186 141 A CA 1.656 53.810 52.037 0.196 0.000 0.616 141 A CB -1.302 17.800 19.000 0.170 0.000 0.823 141 A HN 0.610 nan 8.150 nan 0.000 0.442 142 C N -1.456 117.922 119.300 0.130 0.000 2.429 142 C HA -0.079 4.373 4.460 -0.013 0.000 0.277 142 C C 2.435 177.595 174.990 0.283 0.000 1.262 142 C CA 0.669 59.803 59.018 0.194 0.000 1.733 142 C CB -1.631 26.241 27.740 0.221 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 0.502 120.441 119.950 -0.019 0.000 2.134 143 F HA -0.074 4.445 4.527 -0.014 0.000 0.299 143 F C 2.123 177.865 175.800 -0.098 0.000 1.097 143 F CA 1.031 58.964 58.000 -0.112 0.000 1.264 143 F CB -1.428 37.359 39.000 -0.356 0.000 1.001 143 F HN 0.092 nan 8.300 nan 0.000 0.479 144 L N 0.390 121.692 121.223 0.132 0.000 2.012 144 L HA -0.257 4.075 4.340 -0.013 0.000 0.210 144 L C 2.195 179.083 176.870 0.030 0.000 1.073 144 L CA 2.106 56.981 54.840 0.059 0.000 0.748 144 L CB -1.306 40.794 42.059 0.067 0.000 0.891 144 L HN 0.129 nan 8.230 nan 0.000 0.431 145 D N -1.625 118.803 120.400 0.047 0.000 2.104 145 D HA -0.182 4.450 4.640 -0.013 0.000 0.194 145 D C 2.166 178.488 176.300 0.037 0.000 0.994 145 D CA 1.570 55.584 54.000 0.023 0.000 0.830 145 D CB 0.130 40.943 40.800 0.023 0.000 0.959 145 D HN 0.208 nan 8.370 nan 0.000 0.452 146 S N -0.849 114.891 115.700 0.067 0.000 2.383 146 S HA -0.070 4.392 4.470 -0.013 0.000 0.227 146 S C 1.980 176.600 174.600 0.034 0.000 1.026 146 S CA 0.747 58.979 58.200 0.054 0.000 0.981 146 S CB -0.200 63.041 63.200 0.069 0.000 0.818 146 S HN 0.336 nan 8.310 nan 0.000 0.472 147 M N 0.958 120.571 119.600 0.022 0.000 2.159 147 M HA -0.103 4.369 4.480 -0.013 0.000 0.263 147 M C 2.427 178.732 176.300 0.009 0.000 1.063 147 M CA 1.412 56.721 55.300 0.016 0.000 1.110 147 M CB -0.491 32.100 32.600 -0.014 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.333 122.489 122.820 0.003 0.000 1.898 148 A HA -0.113 4.199 4.320 -0.013 0.000 0.216 148 A C 2.154 179.755 177.584 0.028 0.000 1.181 148 A CA 1.965 54.008 52.037 0.009 0.000 0.620 148 A CB -1.018 17.973 19.000 -0.016 0.000 0.819 148 A HN 0.415 nan 8.150 nan 0.000 0.442 149 T N 0.346 114.922 114.554 0.036 0.000 2.867 149 T HA 0.006 4.348 4.350 -0.013 0.000 0.268 149 T C 1.336 176.066 174.700 0.050 0.000 1.057 149 T CA 1.057 63.190 62.100 0.055 0.000 1.136 149 T CB -0.263 68.646 68.868 0.069 0.000 0.874 149 T HN 0.340 nan 8.240 nan 0.000 0.466 150 L N 0.514 121.764 121.223 0.046 0.000 2.629 150 L HA 0.285 4.617 4.340 -0.013 0.000 0.230 150 L C 1.680 178.584 176.870 0.056 0.000 1.151 150 L CA 0.017 54.887 54.840 0.049 0.000 0.924 150 L CB -0.506 41.584 42.059 0.051 0.000 1.137 150 L HN 0.418 nan 8.230 nan 0.000 0.457 151 G N 1.020 109.856 108.800 0.059 0.000 2.198 151 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.260 151 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.260 151 G C 0.169 175.125 174.900 0.093 0.000 1.025 151 G CA -0.005 45.148 45.100 0.088 0.000 0.769 151 G HN 0.290 nan 8.290 nan 0.000 0.507 152 L N -0.048 121.195 121.223 0.034 0.000 2.350 152 L HA 0.574 4.907 4.340 -0.013 0.000 0.275 152 L C 1.286 178.015 176.870 -0.235 0.000 1.099 152 L CA -0.246 54.560 54.840 -0.057 0.000 0.808 152 L CB 1.462 43.502 42.059 -0.031 0.000 1.149 152 L HN 0.256 nan 8.230 nan 0.000 0.442 153 A N 3.176 125.700 122.820 -0.493 0.000 3.026 153 A HA 0.526 4.838 4.320 -0.013 0.000 0.272 153 A C 0.384 177.537 177.584 -0.718 0.000 1.782 153 A CA -0.128 51.266 52.037 -1.071 0.000 1.451 153 A CB -0.713 17.600 19.000 -1.145 0.000 1.081 153 A HN 0.710 nan 8.150 nan 0.000 0.611 154 A N 1.245 123.693 122.820 -0.621 0.000 2.337 154 A HA 0.784 5.096 4.320 -0.013 0.000 0.329 154 A C -1.053 176.200 177.584 -0.553 0.000 1.146 154 A CA -0.459 51.300 52.037 -0.464 0.000 0.800 154 A CB 0.762 19.593 19.000 -0.282 0.000 1.220 154 A HN 0.592 nan 8.150 nan 0.000 0.472 155 Y N 0.506 120.721 120.300 -0.141 0.000 2.346 155 Y HA 0.514 5.056 4.550 -0.013 0.000 0.332 155 Y C 0.861 176.861 175.900 0.167 0.000 0.985 155 Y CA -0.507 57.598 58.100 0.009 0.000 1.112 155 Y CB 2.260 40.808 38.460 0.147 0.000 1.170 155 Y HN 0.844 nan 8.280 nan 0.000 0.447 156 G N 2.389 111.282 108.800 0.155 0.000 2.370 156 G HA2 0.397 4.350 3.960 -0.013 0.000 0.272 156 G HA3 0.397 4.350 3.960 -0.013 0.000 0.272 156 G C -1.619 173.298 174.900 0.028 0.000 1.208 156 G CA -0.147 45.058 45.100 0.176 0.000 0.856 156 G HN 0.548 nan 8.290 nan 0.000 0.500 157 Y N 1.122 121.641 120.300 0.365 0.000 2.361 157 Y HA 0.602 5.144 4.550 -0.013 0.000 0.337 157 Y C 0.740 176.959 175.900 0.532 0.000 0.965 157 Y CA 0.130 58.427 58.100 0.328 0.000 1.091 157 Y CB 2.627 41.318 38.460 0.384 0.000 1.182 157 Y HN 0.870 nan 8.280 nan 0.000 0.450 158 G N 2.482 111.608 108.800 0.542 0.000 2.846 158 G HA2 0.634 4.586 3.960 -0.013 0.000 0.299 158 G HA3 0.634 4.586 3.960 -0.013 0.000 0.299 158 G C -1.643 173.508 174.900 0.417 0.000 1.242 158 G CA -0.858 44.597 45.100 0.592 0.000 0.800 158 G HN 0.425 nan 8.290 nan 0.000 0.538 159 I N 0.374 121.090 120.570 0.243 0.000 2.474 159 I HA 0.451 4.613 4.170 -0.013 0.000 0.294 159 I C 0.166 176.220 176.117 -0.105 0.000 1.005 159 I CA -0.774 60.576 61.300 0.083 0.000 1.113 159 I CB 2.314 40.206 38.000 -0.180 0.000 1.289 159 I HN 0.352 nan 8.210 nan 0.000 0.436 160 R N 5.761 126.291 120.500 0.049 0.000 2.608 160 R HA 0.229 4.561 4.340 -0.013 0.000 0.277 160 R C -1.170 175.190 176.300 0.100 0.000 1.341 160 R CA -0.481 55.673 56.100 0.090 0.000 1.199 160 R CB -0.090 30.236 30.300 0.042 0.000 1.156 160 R HN 0.414 nan 8.270 nan 0.000 0.558 161 Y N 1.480 121.943 120.300 0.270 0.000 2.620 161 Y HA -0.122 4.420 4.550 -0.013 0.000 0.330 161 Y C 1.616 177.693 175.900 0.295 0.000 1.186 161 Y CA 0.261 58.507 58.100 0.244 0.000 1.467 161 Y CB 0.618 39.200 38.460 0.204 0.000 1.262 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 2.289 122.641 120.200 0.252 0.000 2.106 162 E HA -0.093 4.249 4.350 -0.013 0.000 0.192 162 E C -0.727 175.685 176.600 -0.313 0.000 0.984 162 E CA 0.751 57.065 56.400 -0.144 0.000 0.806 162 E CB 0.152 29.625 29.700 -0.379 0.000 0.750 162 E HN 0.512 nan 8.360 nan 0.000 0.458 163 F N -0.270 119.912 119.950 0.387 0.000 2.507 163 F HA 0.432 4.951 4.527 -0.013 0.000 0.328 163 F C 0.787 176.691 175.800 0.173 0.000 1.136 163 F CA -0.893 57.293 58.000 0.309 0.000 0.930 163 F CB 1.824 40.928 39.000 0.175 0.000 1.166 163 F HN -0.108 nan 8.300 nan 0.000 0.436 164 G N 1.834 110.766 108.800 0.220 0.000 2.504 164 G HA2 0.300 4.252 3.960 -0.013 0.000 0.257 164 G HA3 0.300 4.252 3.960 -0.013 0.000 0.257 164 G C -0.466 174.409 174.900 -0.041 0.000 1.451 164 G CA -0.634 44.434 45.100 -0.053 0.000 1.059 164 G HN 0.561 nan 8.290 nan 0.000 0.550 165 I N 0.903 121.380 120.570 -0.154 0.000 2.683 165 I HA 0.204 4.366 4.170 -0.013 0.000 0.286 165 I C 0.577 176.618 176.117 -0.127 0.000 1.175 165 I CA -1.101 60.083 61.300 -0.193 0.000 1.429 165 I CB -0.324 37.470 38.000 -0.345 0.000 1.371 165 I HN 0.336 nan 8.210 nan 0.000 0.569 166 F N 5.168 125.138 119.950 0.034 0.000 2.628 166 F HA 0.137 4.656 4.527 -0.013 0.000 0.362 166 F C 0.429 176.286 175.800 0.095 0.000 1.148 166 F CA -0.532 57.506 58.000 0.063 0.000 1.352 166 F CB -0.693 38.330 39.000 0.039 0.000 1.081 166 F HN 0.524 nan 8.300 nan 0.000 0.605 167 N N 2.229 121.099 118.700 0.282 0.000 2.475 167 N HA 0.036 4.768 4.740 -0.013 0.000 0.267 167 N C -0.731 175.014 175.510 0.391 0.000 1.169 167 N CA -0.454 52.742 53.050 0.243 0.000 0.947 167 N CB 0.511 39.129 38.487 0.218 0.000 1.061 167 N HN 0.692 nan 8.380 nan 0.000 0.466 168 Q N 2.751 122.752 119.800 0.335 0.000 2.274 168 Q HA 0.154 4.486 4.340 -0.013 0.000 0.256 168 Q C -1.000 175.177 176.000 0.295 0.000 0.927 168 Q CA -0.472 55.578 55.803 0.410 0.000 0.939 168 Q CB 0.575 29.551 28.738 0.397 0.000 1.201 168 Q HN 0.319 nan 8.270 nan 0.000 0.426 169 K N 4.300 124.849 120.400 0.248 0.000 2.207 169 K HA 0.462 4.774 4.320 -0.013 0.000 0.255 169 K C -0.550 176.152 176.600 0.169 0.000 0.941 169 K CA -0.836 55.570 56.287 0.198 0.000 0.825 169 K CB 1.549 34.142 32.500 0.156 0.000 1.119 169 K HN 0.612 nan 8.250 nan 0.000 0.430 170 I N 2.675 123.337 120.570 0.153 0.000 2.312 170 I HA 0.217 4.379 4.170 -0.013 0.000 0.290 170 I C -0.327 175.850 176.117 0.100 0.000 1.008 170 I CA -0.622 60.737 61.300 0.098 0.000 1.226 170 I CB 0.595 38.632 38.000 0.061 0.000 1.371 170 I HN 0.421 nan 8.210 nan 0.000 0.468 171 C N 3.774 123.142 119.300 0.114 0.000 2.381 171 C HA 0.588 5.040 4.460 -0.013 0.000 0.328 171 C C 1.094 176.189 174.990 0.175 0.000 1.190 171 C CA -0.552 58.538 59.018 0.120 0.000 1.369 171 C CB 0.714 28.515 27.740 0.102 0.000 2.029 171 C HN 1.088 nan 8.230 nan 0.000 0.448 172 G N 2.121 111.003 108.800 0.137 0.000 2.203 172 G HA2 0.128 4.080 3.960 -0.013 0.000 0.263 172 G HA3 0.128 4.080 3.960 -0.013 0.000 0.263 172 G C 1.082 176.044 174.900 0.103 0.000 1.012 172 G CA 1.026 46.227 45.100 0.167 0.000 0.749 172 G HN 2.507 nan 8.290 nan 0.000 0.512 173 G N -3.042 105.751 108.800 -0.012 0.000 2.159 173 G HA2 -0.267 3.685 3.960 -0.013 0.000 0.256 173 G HA3 -0.267 3.685 3.960 -0.013 0.000 0.256 173 G C 0.255 174.931 174.900 -0.374 0.000 0.977 173 G CA 0.655 45.625 45.100 -0.217 0.000 0.652 173 G HN 1.217 nan 8.290 nan 0.000 0.531 174 W N 0.348 121.594 121.300 -0.092 0.000 2.627 174 W HA 0.668 5.320 4.660 -0.013 0.000 0.339 174 W C 0.535 176.994 176.519 -0.101 0.000 1.058 174 W CA -1.015 56.267 57.345 -0.105 0.000 1.223 174 W CB 0.938 30.357 29.460 -0.068 0.000 1.389 174 W HN 0.241 nan 8.180 nan 0.000 0.541 175 Q N 3.040 122.927 119.800 0.145 0.000 2.311 175 Q HA 0.223 4.555 4.340 -0.013 0.000 0.272 175 Q C -0.600 175.458 176.000 0.097 0.000 1.012 175 Q CA 0.310 56.174 55.803 0.102 0.000 0.891 175 Q CB 0.532 29.326 28.738 0.093 0.000 1.201 175 Q HN 0.314 nan 8.270 nan 0.000 0.391 176 M N 3.165 122.816 119.600 0.085 0.000 2.393 176 M HA 0.375 4.847 4.480 -0.013 0.000 0.316 176 M C -1.145 175.163 176.300 0.013 0.000 1.087 176 M CA -0.703 54.612 55.300 0.026 0.000 0.937 176 M CB 1.787 34.415 32.600 0.047 0.000 1.668 176 M HN 0.595 nan 8.290 nan 0.000 0.438 177 E N 1.807 121.935 120.200 -0.120 0.000 2.197 177 E HA 0.469 4.812 4.350 -0.013 0.000 0.281 177 E C -0.724 175.868 176.600 -0.014 0.000 0.995 177 E CA -0.417 55.876 56.400 -0.179 0.000 0.808 177 E CB 1.473 30.807 29.700 -0.610 0.000 1.093 177 E HN 0.252 nan 8.360 nan 0.000 0.394 178 E N 0.917 121.193 120.200 0.127 0.000 2.288 178 E HA 0.500 4.842 4.350 -0.013 0.000 0.268 178 E C -0.806 175.878 176.600 0.139 0.000 0.885 178 E CA -1.129 55.331 56.400 0.100 0.000 0.767 178 E CB 1.948 31.717 29.700 0.115 0.000 1.220 178 E HN 0.536 nan 8.360 nan 0.000 0.427 179 A N 1.692 124.541 122.820 0.049 0.000 2.546 179 A HA 0.006 4.318 4.320 -0.013 0.000 0.243 179 A C 0.161 177.882 177.584 0.227 0.000 1.063 179 A CA 0.100 52.153 52.037 0.027 0.000 0.757 179 A CB -0.227 18.613 19.000 -0.266 0.000 0.991 179 A HN 0.513 nan 8.150 nan 0.000 0.503 180 D N 1.854 122.468 120.400 0.357 0.000 2.483 180 D HA 0.186 4.818 4.640 -0.013 0.000 0.220 180 D C -0.372 176.291 176.300 0.605 0.000 1.173 180 D CA -0.186 54.056 54.000 0.403 0.000 0.964 180 D CB 0.350 41.328 40.800 0.296 0.000 1.046 180 D HN 0.382 nan 8.370 nan 0.000 0.517 181 D N 3.892 124.600 120.400 0.513 0.000 2.801 181 D HA -0.026 4.606 4.640 -0.013 0.000 0.232 181 D C 1.132 177.585 176.300 0.256 0.000 1.128 181 D CA -0.547 53.699 54.000 0.410 0.000 1.003 181 D CB -0.203 40.803 40.800 0.344 0.000 1.110 181 D HN 0.562 nan 8.370 nan 0.000 0.477 182 W N 1.546 122.905 121.300 0.098 0.000 2.525 182 W HA -0.042 4.610 4.660 -0.013 0.000 0.259 182 W C 0.037 176.617 176.519 0.102 0.000 1.253 182 W CA 0.129 57.542 57.345 0.112 0.000 1.262 182 W CB -0.707 28.822 29.460 0.114 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 1.007 121.894 121.223 -0.559 0.000 2.628 183 L HA 0.222 4.554 4.340 -0.013 0.000 0.229 183 L C 2.679 179.387 176.870 -0.270 0.000 1.137 183 L CA -0.153 54.330 54.840 -0.595 0.000 0.909 183 L CB -0.587 40.969 42.059 -0.837 0.000 1.137 183 L HN -0.121 nan 8.230 nan 0.000 0.470 184 R N 0.667 121.067 120.500 -0.168 0.000 2.112 184 R HA -0.227 4.105 4.340 -0.013 0.000 0.242 184 R C 1.101 177.195 176.300 -0.343 0.000 1.137 184 R CA 2.132 58.074 56.100 -0.264 0.000 0.944 184 R CB -0.143 29.961 30.300 -0.326 0.000 0.857 184 R HN 0.325 nan 8.270 nan 0.000 0.435 185 Y N -0.476 119.839 120.300 0.025 0.000 2.524 185 Y HA 0.335 4.877 4.550 -0.013 0.000 0.266 185 Y C 0.808 176.671 175.900 -0.062 0.000 1.180 185 Y CA 0.333 58.435 58.100 0.003 0.000 1.244 185 Y CB 0.889 39.451 38.460 0.171 0.000 1.125 185 Y HN 0.440 nan 8.280 nan 0.000 0.524 186 G N 1.354 110.181 108.800 0.045 0.000 2.712 186 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.683 186 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.683 186 G C -1.199 173.759 174.900 0.098 0.000 1.320 186 G CA -0.747 44.352 45.100 -0.001 0.000 0.847 186 G HN 0.273 nan 8.290 nan 0.000 0.553 187 N N 0.847 119.567 118.700 0.034 0.000 2.531 187 N HA 0.561 5.293 4.740 -0.013 0.000 0.268 187 N C -0.946 174.585 175.510 0.035 0.000 1.023 187 N CA -1.923 51.174 53.050 0.079 0.000 0.896 187 N CB 2.143 40.621 38.487 -0.013 0.000 1.233 187 N HN 0.265 nan 8.380 nan 0.000 0.512 188 P HA 0.077 nan 4.420 nan 0.000 0.241 188 P C 0.491 177.472 177.300 -0.533 0.000 1.191 188 P CA 0.519 63.329 63.100 -0.482 0.000 0.771 188 P CB 0.124 31.215 31.700 -1.016 0.000 0.929 189 W N 1.813 123.145 121.300 0.055 0.000 2.574 189 W HA 0.081 4.733 4.660 -0.013 0.000 0.282 189 W C 1.239 177.810 176.519 0.087 0.000 1.197 189 W CA -0.304 57.062 57.345 0.034 0.000 1.376 189 W CB -0.362 29.113 29.460 0.024 0.000 1.091 189 W HN -0.072 nan 8.180 nan 0.000 0.569 190 E N 2.011 122.416 120.200 0.340 0.000 2.390 190 E HA 0.196 4.538 4.350 -0.013 0.000 0.261 190 E C -0.521 176.270 176.600 0.318 0.000 1.076 190 E CA -0.475 56.129 56.400 0.339 0.000 0.905 190 E CB 1.018 30.932 29.700 0.357 0.000 0.984 190 E HN -0.320 nan 8.360 nan 0.000 0.427 191 K N 1.796 122.401 120.400 0.342 0.000 2.425 191 K HA 0.392 4.704 4.320 -0.013 0.000 0.259 191 K C -1.100 175.530 176.600 0.050 0.000 0.978 191 K CA -0.502 55.909 56.287 0.207 0.000 0.883 191 K CB 1.376 34.001 32.500 0.208 0.000 1.110 191 K HN 0.651 nan 8.250 nan 0.000 0.436 192 A N 4.426 127.183 122.820 -0.104 0.000 2.520 192 A HA 0.266 4.578 4.320 -0.013 0.000 0.245 192 A C -0.244 177.128 177.584 -0.353 0.000 1.072 192 A CA -0.012 51.686 52.037 -0.566 0.000 0.761 192 A CB 0.170 18.846 19.000 -0.540 0.000 1.004 192 A HN 0.663 nan 8.150 nan 0.000 0.499 193 R N 3.489 123.765 120.500 -0.374 0.000 2.868 193 R HA 0.210 4.542 4.340 -0.013 0.000 0.289 193 R C -2.342 173.823 176.300 -0.226 0.000 1.443 193 R CA -1.804 54.160 56.100 -0.227 0.000 1.651 193 R CB 0.662 30.974 30.300 0.020 0.000 1.242 193 R HN 0.569 nan 8.270 nan 0.000 0.621 194 P HA -0.169 nan 4.420 nan 0.000 0.222 194 P C 0.961 178.170 177.300 -0.150 0.000 1.147 194 P CA 1.030 64.044 63.100 -0.144 0.000 0.790 194 P CB 0.385 32.011 31.700 -0.125 0.000 0.780 195 E N 0.310 120.313 120.200 -0.328 0.000 2.268 195 E HA -0.151 4.191 4.350 -0.013 0.000 0.195 195 E C 0.952 177.376 176.600 -0.293 0.000 0.995 195 E CA 0.896 57.053 56.400 -0.404 0.000 0.836 195 E CB -1.065 28.244 29.700 -0.651 0.000 0.763 195 E HN 0.374 nan 8.360 nan 0.000 0.491 196 F N 1.872 121.837 119.950 0.024 0.000 2.684 196 F HA 0.228 4.747 4.527 -0.013 0.000 0.298 196 F C 0.487 176.379 175.800 0.153 0.000 1.120 196 F CA -0.688 57.355 58.000 0.071 0.000 1.332 196 F CB 0.562 39.595 39.000 0.055 0.000 0.986 196 F HN -0.277 nan 8.300 nan 0.000 0.524 197 T N 3.081 117.781 114.554 0.243 0.000 2.940 197 T HA 0.325 4.667 4.350 -0.013 0.000 0.309 197 T C -0.045 174.763 174.700 0.180 0.000 1.056 197 T CA 0.392 62.633 62.100 0.235 0.000 1.137 197 T CB 0.752 69.708 68.868 0.146 0.000 0.976 197 T HN 0.083 nan 8.240 nan 0.000 0.547 198 L N 4.981 126.277 121.223 0.121 0.000 2.370 198 L HA 0.522 4.854 4.340 -0.013 0.000 0.266 198 L C -2.299 174.516 176.870 -0.091 0.000 1.002 198 L CA -2.612 52.222 54.840 -0.011 0.000 0.818 198 L CB 2.490 44.482 42.059 -0.111 0.000 1.325 198 L HN 0.395 nan 8.230 nan 0.000 0.418 199 P HA 0.248 nan 4.420 nan 0.000 0.286 199 P C -1.058 176.057 177.300 -0.309 0.000 1.269 199 P CA -0.334 62.647 63.100 -0.198 0.000 0.787 199 P CB 1.783 33.362 31.700 -0.201 0.000 0.920 200 V N 4.583 124.298 119.914 -0.332 0.000 2.555 200 V HA 0.333 4.446 4.120 -0.013 0.000 0.302 200 V C 0.283 176.078 176.094 -0.498 0.000 1.038 200 V CA -0.604 61.478 62.300 -0.364 0.000 0.887 200 V CB 1.328 32.996 31.823 -0.258 0.000 0.991 200 V HN 0.596 nan 8.190 nan 0.000 0.434 201 H N 3.818 122.669 119.070 -0.366 0.000 2.472 201 H HA 0.601 5.149 4.556 -0.013 0.000 0.338 201 H C -1.272 173.696 175.328 -0.601 0.000 1.133 201 H CA -0.177 55.572 56.048 -0.499 0.000 1.216 201 H CB 1.882 31.127 29.762 -0.863 0.000 1.497 201 H HN 0.479 nan 8.280 nan 0.000 0.500 202 F N 0.543 120.515 119.950 0.037 0.000 2.603 202 F HA 0.219 4.738 4.527 -0.013 0.000 0.317 202 F C -0.209 175.703 175.800 0.186 0.000 1.066 202 F CA -0.518 57.529 58.000 0.078 0.000 0.941 202 F CB 1.151 40.122 39.000 -0.048 0.000 1.291 202 F HN 0.558 nan 8.300 nan 0.000 0.472 203 Y N 0.234 120.828 120.300 0.490 0.000 2.904 203 Y HA -0.038 4.505 4.550 -0.013 0.000 0.466 203 Y C 1.397 177.547 175.900 0.416 0.000 1.202 203 Y CA 0.672 58.982 58.100 0.350 0.000 2.492 203 Y CB -1.912 36.681 38.460 0.221 0.000 1.237 203 Y HN 1.244 nan 8.280 nan 0.000 0.633 204 G N 0.733 109.810 108.800 0.461 0.000 2.562 204 G HA2 0.066 4.018 3.960 -0.013 0.000 0.250 204 G HA3 0.066 4.018 3.960 -0.013 0.000 0.250 204 G C -0.490 174.630 174.900 0.368 0.000 1.269 204 G CA 1.177 46.475 45.100 0.330 0.000 0.919 204 G HN 1.378 nan 8.290 nan 0.000 0.574 205 R N -2.680 118.039 120.500 0.365 0.000 2.733 205 R HA 0.690 5.022 4.340 -0.013 0.000 0.272 205 R C -1.379 175.072 176.300 0.251 0.000 1.029 205 R CA -0.990 55.264 56.100 0.258 0.000 0.888 205 R CB 1.248 31.646 30.300 0.163 0.000 1.251 205 R HN 0.895 nan 8.270 nan 0.000 0.464 206 V N 0.990 120.969 119.914 0.108 0.000 2.394 206 V HA 0.329 4.441 4.120 -0.013 0.000 0.282 206 V C -0.229 175.843 176.094 -0.037 0.000 1.031 206 V CA -0.603 61.688 62.300 -0.014 0.000 0.881 206 V CB 1.382 33.113 31.823 -0.153 0.000 0.982 206 V HN 0.670 nan 8.190 nan 0.000 0.451 207 E N 3.717 123.872 120.200 -0.076 0.000 2.113 207 E HA 0.351 4.693 4.350 -0.013 0.000 0.273 207 E C -0.837 175.676 176.600 -0.145 0.000 0.924 207 E CA -0.565 55.809 56.400 -0.043 0.000 0.764 207 E CB 0.862 30.564 29.700 0.003 0.000 1.104 207 E HN 0.669 nan 8.360 nan 0.000 0.406 208 H N 2.901 121.984 119.070 0.022 0.000 2.705 208 H HA 0.152 4.700 4.556 -0.013 0.000 0.291 208 H C 0.477 175.812 175.328 0.012 0.000 1.085 208 H CA -0.062 55.993 56.048 0.013 0.000 1.357 208 H CB 0.831 30.595 29.762 0.003 0.000 1.419 208 H HN 0.586 nan 8.280 nan 0.000 0.462 209 T N -1.260 113.348 114.554 0.089 0.000 2.619 209 T HA 0.125 4.467 4.350 -0.013 0.000 0.244 209 T C 1.543 176.273 174.700 0.050 0.000 0.893 209 T CA -0.400 61.735 62.100 0.058 0.000 1.093 209 T CB 1.008 69.896 68.868 0.033 0.000 1.567 209 T HN 0.348 nan 8.240 nan 0.000 0.549 210 S N -0.531 115.190 115.700 0.035 0.000 2.395 210 S HA -0.079 4.383 4.470 -0.013 0.000 0.225 210 S C 1.967 176.584 174.600 0.028 0.000 1.027 210 S CA 0.783 59.001 58.200 0.029 0.000 0.965 210 S CB -0.722 62.492 63.200 0.022 0.000 0.812 210 S HN 0.564 nan 8.310 nan 0.000 0.482 211 Q N 0.311 120.126 119.800 0.025 0.000 2.297 211 Q HA 0.226 4.558 4.340 -0.013 0.000 0.204 211 Q C 1.308 177.324 176.000 0.027 0.000 0.962 211 Q CA 0.939 56.755 55.803 0.022 0.000 0.879 211 Q CB 0.070 28.818 28.738 0.015 0.000 0.947 211 Q HN 0.648 nan 8.270 nan 0.000 0.462 212 G N -0.371 108.449 108.800 0.034 0.000 2.250 212 G HA2 0.155 4.107 3.960 -0.013 0.000 0.252 212 G HA3 0.155 4.107 3.960 -0.013 0.000 0.252 212 G C -1.448 173.466 174.900 0.022 0.000 1.325 212 G CA -0.465 44.664 45.100 0.048 0.000 1.091 212 G HN 0.343 nan 8.290 nan 0.000 0.476 213 A N -0.129 122.681 122.820 -0.015 0.000 2.340 213 A HA 0.755 5.067 4.320 -0.013 0.000 0.268 213 A C 0.124 177.636 177.584 -0.120 0.000 1.100 213 A CA 0.320 52.245 52.037 -0.186 0.000 0.803 213 A CB 0.573 19.414 19.000 -0.265 0.000 1.043 213 A HN 0.695 nan 8.150 nan 0.000 0.488 214 K N 1.060 121.382 120.400 -0.131 0.000 2.541 214 K HA 0.192 4.504 4.320 -0.013 0.000 0.250 214 K C -1.779 174.851 176.600 0.050 0.000 0.950 214 K CA -0.318 55.952 56.287 -0.029 0.000 0.805 214 K CB 1.838 34.327 32.500 -0.018 0.000 1.166 214 K HN 0.726 nan 8.250 nan 0.000 0.430 215 W N 5.871 127.087 121.300 -0.141 0.000 2.387 215 W HA 0.324 4.976 4.660 -0.013 0.000 0.310 215 W C -0.626 175.831 176.519 -0.103 0.000 1.181 215 W CA -0.763 56.509 57.345 -0.122 0.000 1.333 215 W CB 0.150 29.528 29.460 -0.136 0.000 1.286 215 W HN 0.309 nan 8.180 nan 0.000 0.455 216 V N 2.794 122.782 119.914 0.123 0.000 3.113 216 V HA 0.606 4.719 4.120 -0.013 0.000 0.316 216 V C -0.097 175.990 176.094 -0.011 0.000 1.125 216 V CA -0.941 61.351 62.300 -0.013 0.000 1.026 216 V CB 1.979 33.816 31.823 0.023 0.000 1.080 216 V HN 0.464 nan 8.190 nan 0.000 0.444 217 D N -0.081 120.308 120.400 -0.019 0.000 2.837 217 D HA -0.146 4.486 4.640 -0.013 0.000 0.230 217 D C 0.579 176.890 176.300 0.019 0.000 1.152 217 D CA 1.542 55.551 54.000 0.016 0.000 0.736 217 D CB -1.859 38.973 40.800 0.054 0.000 1.084 217 D HN 1.315 nan 8.370 nan 0.000 0.429 218 T N -2.717 111.795 114.554 -0.070 0.000 2.882 218 T HA 0.446 4.788 4.350 -0.013 0.000 0.287 218 T C 0.469 175.206 174.700 0.061 0.000 1.014 218 T CA -0.674 61.387 62.100 -0.066 0.000 1.049 218 T CB 1.780 70.430 68.868 -0.363 0.000 1.001 218 T HN 0.054 nan 8.240 nan 0.000 0.525 219 Q N 0.752 120.651 119.800 0.165 0.000 2.243 219 Q HA 0.561 4.893 4.340 -0.013 0.000 0.252 219 Q C -0.811 175.274 176.000 0.142 0.000 0.909 219 Q CA -0.887 55.024 55.803 0.179 0.000 0.922 219 Q CB 1.780 30.687 28.738 0.282 0.000 1.215 219 Q HN 0.517 nan 8.270 nan 0.000 0.427 220 V N 2.902 122.850 119.914 0.056 0.000 2.472 220 V HA 0.398 4.510 4.120 -0.013 0.000 0.290 220 V C -0.331 175.805 176.094 0.070 0.000 1.037 220 V CA -0.642 61.622 62.300 -0.061 0.000 0.908 220 V CB 1.736 33.470 31.823 -0.148 0.000 0.985 220 V HN 0.493 nan 8.190 nan 0.000 0.454 221 V N 5.889 125.873 119.914 0.117 0.000 2.487 221 V HA 0.455 4.567 4.120 -0.013 0.000 0.298 221 V C -0.145 176.056 176.094 0.179 0.000 1.028 221 V CA -0.597 61.824 62.300 0.202 0.000 0.860 221 V CB 1.799 33.839 31.823 0.362 0.000 0.991 221 V HN 0.636 nan 8.190 nan 0.000 0.427 222 L N 3.692 125.016 121.223 0.168 0.000 2.371 222 L HA 0.688 5.021 4.340 -0.013 0.000 0.272 222 L C 0.555 177.624 176.870 0.330 0.000 1.124 222 L CA -0.206 54.731 54.840 0.162 0.000 0.816 222 L CB 1.125 43.259 42.059 0.125 0.000 1.129 222 L HN 0.758 nan 8.230 nan 0.000 0.448 223 A N 5.116 128.061 122.820 0.208 0.000 2.277 223 A HA 0.547 4.859 4.320 -0.013 0.000 0.318 223 A C -0.437 177.428 177.584 0.468 0.000 1.339 223 A CA -0.490 51.699 52.037 0.254 0.000 0.875 223 A CB 0.856 19.515 19.000 -0.569 0.000 1.158 223 A HN 0.786 nan 8.150 nan 0.000 0.514 224 M N 6.078 126.008 119.600 0.550 0.000 2.113 224 M HA 0.434 4.906 4.480 -0.013 0.000 0.352 224 M C -2.550 174.034 176.300 0.474 0.000 1.170 224 M CA -2.053 53.514 55.300 0.445 0.000 1.053 224 M CB 1.677 34.465 32.600 0.313 0.000 1.601 224 M HN 0.329 nan 8.290 nan 0.000 0.459 225 P HA 0.219 nan 4.420 nan 0.000 0.284 225 P C -1.928 175.335 177.300 -0.062 0.000 1.253 225 P CA 0.041 63.061 63.100 -0.133 0.000 0.800 225 P CB 0.445 31.880 31.700 -0.441 0.000 0.961 226 Y N 0.783 121.027 120.300 -0.095 0.000 2.331 226 Y HA 0.319 4.861 4.550 -0.013 0.000 0.334 226 Y C 0.218 176.111 175.900 -0.011 0.000 0.960 226 Y CA -0.310 57.791 58.100 0.002 0.000 1.130 226 Y CB 1.271 39.767 38.460 0.059 0.000 1.164 226 Y HN 0.221 nan 8.280 nan 0.000 0.458 227 D N 2.001 122.510 120.400 0.182 0.000 2.193 227 D HA 0.389 5.021 4.640 -0.013 0.000 0.244 227 D C -0.566 175.983 176.300 0.416 0.000 1.064 227 D CA -0.195 53.953 54.000 0.245 0.000 0.845 227 D CB 1.721 42.672 40.800 0.251 0.000 1.148 227 D HN 0.368 nan 8.370 nan 0.000 0.464 228 T N 3.314 118.023 114.554 0.258 0.000 2.807 228 T HA 0.456 4.798 4.350 -0.013 0.000 0.279 228 T C -2.503 172.069 174.700 -0.214 0.000 0.993 228 T CA -1.501 60.647 62.100 0.080 0.000 0.970 228 T CB 1.987 70.887 68.868 0.053 0.000 0.950 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.272 nan 4.420 nan 0.000 0.271 229 P C -0.982 176.003 177.300 -0.525 0.000 1.216 229 P CA -0.338 62.093 63.100 -1.115 0.000 0.776 229 P CB 0.740 31.614 31.700 -1.377 0.000 0.881 230 V N 5.147 124.816 119.914 -0.409 0.000 2.340 230 V HA 0.254 4.366 4.120 -0.013 0.000 0.277 230 V C -2.130 173.846 176.094 -0.197 0.000 1.017 230 V CA -1.864 60.290 62.300 -0.243 0.000 0.820 230 V CB 1.415 33.142 31.823 -0.160 0.000 1.028 230 V HN 0.534 nan 8.190 nan 0.000 0.436 231 P HA 0.272 nan 4.420 nan 0.000 0.281 231 P C 0.386 177.643 177.300 -0.072 0.000 1.252 231 P CA 0.319 63.339 63.100 -0.134 0.000 0.778 231 P CB 1.591 33.206 31.700 -0.142 0.000 0.895 232 G N 2.369 111.144 108.800 -0.042 0.000 2.572 232 G HA2 0.118 4.070 3.960 -0.013 0.000 0.261 232 G HA3 0.118 4.070 3.960 -0.013 0.000 0.261 232 G C -1.126 173.791 174.900 0.028 0.000 1.197 232 G CA -0.582 44.522 45.100 0.006 0.000 0.870 232 G HN 0.503 nan 8.290 nan 0.000 0.548 233 Y N 1.219 121.484 120.300 -0.057 0.000 2.674 233 Y HA 0.200 4.742 4.550 -0.014 0.000 0.354 233 Y C 1.367 177.232 175.900 -0.058 0.000 1.089 233 Y CA -0.089 57.972 58.100 -0.065 0.000 1.444 233 Y CB -0.140 38.279 38.460 -0.068 0.000 1.187 233 Y HN 0.728 nan 8.280 nan 0.000 0.523 234 R N 2.912 123.141 120.500 -0.451 0.000 3.627 234 R HA -0.326 4.006 4.340 -0.013 0.000 0.281 234 R C 0.075 176.249 176.300 -0.209 0.000 1.140 234 R CA 1.311 57.160 56.100 -0.418 0.000 0.761 234 R CB -2.185 27.701 30.300 -0.690 0.000 1.181 234 R HN 0.937 nan 8.270 nan 0.000 0.472 235 N N -0.616 118.009 118.700 -0.125 0.000 2.177 235 N HA 0.040 4.772 4.740 -0.013 0.000 0.218 235 N C -0.085 175.382 175.510 -0.071 0.000 1.182 235 N CA -0.492 52.514 53.050 -0.073 0.000 0.882 235 N CB 0.476 38.944 38.487 -0.031 0.000 1.052 235 N HN 0.092 nan 8.380 nan 0.000 0.519 236 N N -0.208 118.445 118.700 -0.078 0.000 2.753 236 N HA -0.133 4.599 4.740 -0.013 0.000 0.251 236 N C -0.973 174.499 175.510 -0.063 0.000 1.097 236 N CA 0.650 53.661 53.050 -0.066 0.000 0.786 236 N CB -1.343 37.105 38.487 -0.065 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.106 120.987 119.914 -0.054 0.000 2.465 237 V HA 0.441 4.553 4.120 -0.013 0.000 0.279 237 V C 0.638 176.713 176.094 -0.032 0.000 1.045 237 V CA -0.514 61.764 62.300 -0.037 0.000 0.938 237 V CB 2.127 33.951 31.823 0.001 0.000 0.986 237 V HN -0.032 nan 8.190 nan 0.000 0.467 238 V N 5.280 125.186 119.914 -0.012 0.000 2.419 238 V HA 0.431 4.543 4.120 -0.013 0.000 0.287 238 V C -0.094 176.030 176.094 0.049 0.000 1.017 238 V CA -0.816 61.457 62.300 -0.044 0.000 0.844 238 V CB 1.344 33.119 31.823 -0.081 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.985 120.683 118.700 -0.004 0.000 2.431 239 N HA 0.565 5.297 4.740 -0.013 0.000 0.289 239 N C -0.034 175.508 175.510 0.053 0.000 1.277 239 N CA -0.292 52.782 53.050 0.041 0.000 0.972 239 N CB 1.046 39.500 38.487 -0.055 0.000 1.143 239 N HN 0.576 nan 8.380 nan 0.000 0.578 240 T N 0.717 115.307 114.554 0.060 0.000 2.848 240 T HA 0.372 4.714 4.350 -0.013 0.000 0.285 240 T C -0.330 174.358 174.700 -0.019 0.000 0.995 240 T CA -0.506 61.696 62.100 0.171 0.000 0.970 240 T CB 1.141 70.222 68.868 0.355 0.000 0.976 240 T HN 0.290 nan 8.240 nan 0.000 0.441 241 M N 3.831 123.381 119.600 -0.083 0.000 2.088 241 M HA 0.487 4.959 4.480 -0.013 0.000 0.346 241 M C -0.353 175.805 176.300 -0.236 0.000 1.111 241 M CA -0.712 54.441 55.300 -0.245 0.000 1.017 241 M CB 0.583 32.982 32.600 -0.335 0.000 1.568 241 M HN 0.486 nan 8.290 nan 0.000 0.445 242 R N 5.975 126.214 120.500 -0.435 0.000 2.295 242 R HA 0.617 4.949 4.340 -0.013 0.000 0.324 242 R C -1.939 174.059 176.300 -0.503 0.000 0.968 242 R CA -0.425 55.355 56.100 -0.533 0.000 0.837 242 R CB 0.844 30.608 30.300 -0.892 0.000 1.133 242 R HN 0.811 nan 8.270 nan 0.000 0.450 243 L N 5.210 126.251 121.223 -0.303 0.000 2.333 243 L HA 0.489 4.821 4.340 -0.013 0.000 0.280 243 L C -0.881 175.957 176.870 -0.053 0.000 1.004 243 L CA -0.911 53.859 54.840 -0.117 0.000 0.820 243 L CB 1.542 43.622 42.059 0.036 0.000 1.247 243 L HN 0.605 nan 8.230 nan 0.000 0.416 244 W N 1.916 123.343 121.300 0.211 0.000 2.315 244 W HA 0.461 5.113 4.660 -0.013 0.000 0.316 244 W C 0.573 177.338 176.519 0.410 0.000 1.211 244 W CA -0.207 57.286 57.345 0.246 0.000 1.201 244 W CB 1.484 30.929 29.460 -0.025 0.000 1.184 244 W HN 0.344 nan 8.180 nan 0.000 0.544 245 S N 2.095 118.217 115.700 0.704 0.000 2.473 245 S HA 0.747 5.209 4.470 -0.013 0.000 0.307 245 S C -0.376 174.574 174.600 0.584 0.000 1.094 245 S CA -0.734 57.781 58.200 0.524 0.000 1.070 245 S CB 0.559 63.998 63.200 0.398 0.000 1.019 245 S HN 0.540 nan 8.310 nan 0.000 0.480 246 A N 5.110 128.104 122.820 0.291 0.000 2.409 246 A HA 0.623 4.936 4.320 -0.013 0.000 0.262 246 A C -0.222 177.453 177.584 0.151 0.000 1.113 246 A CA -0.165 51.931 52.037 0.099 0.000 0.790 246 A CB 0.230 19.025 19.000 -0.342 0.000 1.046 246 A HN 0.660 nan 8.150 nan 0.000 0.496 247 K N 1.297 121.810 120.400 0.188 0.000 2.427 247 K HA 0.586 4.898 4.320 -0.013 0.000 0.252 247 K C -0.334 176.331 176.600 0.107 0.000 0.931 247 K CA -0.418 55.953 56.287 0.141 0.000 0.793 247 K CB 2.110 34.706 32.500 0.162 0.000 1.211 247 K HN 0.817 nan 8.250 nan 0.000 0.426 248 A N 4.357 127.220 122.820 0.072 0.000 2.462 248 A HA 0.337 4.649 4.320 -0.013 0.000 0.243 248 A C -1.872 175.744 177.584 0.054 0.000 1.076 248 A CA -0.691 51.380 52.037 0.056 0.000 0.773 248 A CB -0.578 18.443 19.000 0.034 0.000 1.010 248 A HN 0.383 nan 8.150 nan 0.000 0.493 249 P HA 0.091 nan 4.420 nan 0.000 0.272 249 P C -0.519 176.800 177.300 0.031 0.000 1.230 249 P CA -0.344 62.778 63.100 0.036 0.000 0.788 249 P CB 0.366 32.081 31.700 0.025 0.000 0.949 262 Y N 0.562 120.864 120.300 0.003 0.000 2.097 262 Y HA -0.132 4.411 4.550 -0.013 0.000 0.282 262 Y C 2.555 178.458 175.900 0.005 0.000 1.152 262 Y CA 2.286 60.389 58.100 0.004 0.000 1.136 262 Y CB -0.011 38.451 38.460 0.004 0.000 0.975 262 Y HN 0.306 nan 8.280 nan 0.000 0.498 263 I N 0.456 120.978 120.570 -0.080 0.000 2.163 263 I HA -0.299 3.863 4.170 -0.013 0.000 0.243 263 I C 2.396 178.417 176.117 -0.161 0.000 1.085 263 I CA 1.786 62.990 61.300 -0.160 0.000 1.347 263 I CB -1.490 36.519 38.000 0.013 0.000 1.044 263 I HN 0.339 nan 8.210 nan 0.000 0.408 264 Q N 1.229 120.979 119.800 -0.082 0.000 2.096 264 Q HA -0.140 4.192 4.340 -0.013 0.000 0.204 264 Q C 2.250 178.197 176.000 -0.089 0.000 0.982 264 Q CA 2.382 58.146 55.803 -0.064 0.000 0.850 264 Q CB -0.440 28.280 28.738 -0.029 0.000 0.901 264 Q HN 0.477 nan 8.270 nan 0.000 0.422 265 A N -0.776 121.975 122.820 -0.114 0.000 1.908 265 A HA -0.153 4.159 4.320 -0.013 0.000 0.218 265 A C 2.270 179.765 177.584 -0.148 0.000 1.181 265 A CA 1.777 53.747 52.037 -0.112 0.000 0.627 265 A CB -0.795 18.146 19.000 -0.098 0.000 0.818 265 A HN 0.274 nan 8.150 nan 0.000 0.445 266 V N 0.114 119.877 119.914 -0.252 0.000 2.358 266 V HA -0.211 3.901 4.120 -0.013 0.000 0.246 266 V C 2.514 178.536 176.094 -0.121 0.000 1.047 266 V CA 1.741 63.909 62.300 -0.220 0.000 1.035 266 V CB -0.728 30.894 31.823 -0.335 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.220 120.939 121.223 -0.107 0.000 2.083 267 L HA -0.161 4.171 4.340 -0.013 0.000 0.209 267 L C 2.127 178.972 176.870 -0.042 0.000 1.083 267 L CA 1.351 56.155 54.840 -0.060 0.000 0.752 267 L CB -0.745 41.285 42.059 -0.048 0.000 0.899 267 L HN 0.317 nan 8.230 nan 0.000 0.433 268 D N 0.113 120.485 120.400 -0.047 0.000 2.350 268 D HA -0.101 4.531 4.640 -0.013 0.000 0.216 268 D C 2.174 178.462 176.300 -0.020 0.000 0.968 268 D CA 0.555 54.538 54.000 -0.030 0.000 0.894 268 D CB -0.050 40.732 40.800 -0.030 0.000 0.909 268 D HN 0.227 nan 8.370 nan 0.000 0.520 269 R N 0.400 120.885 120.500 -0.024 0.000 2.159 269 R HA -0.082 4.250 4.340 -0.013 0.000 0.237 269 R C 1.579 177.880 176.300 0.002 0.000 1.131 269 R CA 0.675 56.770 56.100 -0.009 0.000 0.982 269 R CB -0.102 30.192 30.300 -0.012 0.000 0.868 269 R HN 0.156 nan 8.270 nan 0.000 0.453 270 N N 0.839 119.538 118.700 -0.001 0.000 2.205 270 N HA -0.150 4.582 4.740 -0.013 0.000 0.186 270 N C 1.736 177.251 175.510 0.007 0.000 1.015 270 N CA 1.094 54.149 53.050 0.008 0.000 0.862 270 N CB -0.182 38.310 38.487 0.008 0.000 0.986 270 N HN 0.249 nan 8.380 nan 0.000 0.429 271 L N 0.449 121.672 121.223 0.001 0.000 1.994 271 L HA -0.112 4.220 4.340 -0.013 0.000 0.208 271 L C 2.460 179.323 176.870 -0.013 0.000 1.071 271 L CA 1.362 56.201 54.840 -0.003 0.000 0.745 271 L CB -0.657 41.400 42.059 -0.003 0.000 0.892 271 L HN 0.108 nan 8.230 nan 0.000 0.431 272 A N 0.007 122.823 122.820 -0.007 0.000 1.933 272 A HA -0.206 4.106 4.320 -0.013 0.000 0.218 272 A C 2.121 179.680 177.584 -0.042 0.000 1.175 272 A CA 1.649 53.677 52.037 -0.016 0.000 0.628 272 A CB -0.457 18.559 19.000 0.026 0.000 0.814 272 A HN 0.496 nan 8.150 nan 0.000 0.444 273 E N -0.073 120.119 120.200 -0.013 0.000 2.347 273 E HA -0.095 4.247 4.350 -0.013 0.000 0.196 273 E C 1.111 177.705 176.600 -0.010 0.000 1.008 273 E CA 0.371 56.766 56.400 -0.008 0.000 0.852 273 E CB -0.157 29.559 29.700 0.026 0.000 0.783 273 E HN 0.490 nan 8.360 nan 0.000 0.505 274 N N 1.045 119.741 118.700 -0.006 0.000 2.443 274 N HA -0.096 4.636 4.740 -0.013 0.000 0.184 274 N C 1.649 177.161 175.510 0.004 0.000 1.037 274 N CA 0.622 53.682 53.050 0.018 0.000 0.896 274 N CB -0.059 38.439 38.487 0.018 0.000 0.959 274 N HN 0.260 nan 8.380 nan 0.000 0.442 275 I N 0.482 121.001 120.570 -0.086 0.000 2.194 275 I HA -0.259 3.904 4.170 -0.013 0.000 0.246 275 I C 1.458 177.536 176.117 -0.065 0.000 1.093 275 I CA 1.315 62.530 61.300 -0.142 0.000 1.355 275 I CB -0.237 37.533 38.000 -0.383 0.000 1.046 275 I HN 0.140 nan 8.210 nan 0.000 0.413 276 S N -0.423 115.229 115.700 -0.080 0.000 2.583 276 S HA 0.175 4.637 4.470 -0.013 0.000 0.239 276 S C 1.465 176.185 174.600 0.200 0.000 0.966 276 S CA -0.521 57.716 58.200 0.061 0.000 0.973 276 S CB 0.245 63.469 63.200 0.039 0.000 0.794 276 S HN 0.204 nan 8.310 nan 0.000 0.463 277 R N 1.309 121.932 120.500 0.205 0.000 2.062 277 R HA 0.255 4.587 4.340 -0.013 0.000 0.229 277 R C 0.403 176.952 176.300 0.415 0.000 1.128 277 R CA 1.233 57.499 56.100 0.275 0.000 0.960 277 R CB -0.287 30.146 30.300 0.223 0.000 0.855 277 R HN 0.408 nan 8.270 nan 0.000 0.432 278 V N 0.324 120.445 119.914 0.344 0.000 2.851 278 V HA 0.336 4.448 4.120 -0.013 0.000 0.307 278 V C -1.577 174.482 176.094 -0.058 0.000 1.129 278 V CA -1.385 61.043 62.300 0.214 0.000 0.932 278 V CB 1.734 33.614 31.823 0.095 0.000 1.024 278 V HN 0.159 nan 8.190 nan 0.000 0.426 279 L N 6.974 127.912 121.223 -0.475 0.000 2.462 279 L HA 0.420 4.753 4.340 -0.013 0.000 0.272 279 L C -0.754 175.944 176.870 -0.286 0.000 1.166 279 L CA 0.530 54.888 54.840 -0.802 0.000 0.880 279 L CB 0.275 41.779 42.059 -0.925 0.000 1.142 279 L HN 0.679 nan 8.230 nan 0.000 0.473 280 Y N 7.316 127.538 120.300 -0.130 0.000 2.650 280 Y HA 0.148 4.690 4.550 -0.013 0.000 0.331 280 Y C -1.237 174.659 175.900 -0.007 0.000 1.165 280 Y CA -0.964 57.126 58.100 -0.016 0.000 1.473 280 Y CB 0.284 38.761 38.460 0.029 0.000 1.224 280 Y HN 0.599 nan 8.280 nan 0.000 0.533 281 P HA -0.047 nan 4.420 nan 0.000 0.255 281 P C -0.731 176.709 177.300 0.234 0.000 1.248 281 P CA 0.256 63.475 63.100 0.199 0.000 0.807 281 P CB 0.178 32.084 31.700 0.343 0.000 1.150 282 N N 1.530 120.372 118.700 0.235 0.000 2.444 282 N HA 0.040 4.773 4.740 -0.013 0.000 0.271 282 N C -0.096 175.548 175.510 0.224 0.000 1.069 282 N CA -0.176 53.019 53.050 0.241 0.000 0.965 282 N CB 0.970 39.592 38.487 0.226 0.000 1.092 282 N HN -0.048 nan 8.380 nan 0.000 0.476 283 D N 0.098 120.660 120.400 0.271 0.000 2.501 283 D HA 0.174 4.806 4.640 -0.013 0.000 0.224 283 D C -0.450 176.026 176.300 0.293 0.000 1.202 283 D CA -0.195 53.963 54.000 0.264 0.000 0.829 283 D CB -0.091 40.879 40.800 0.284 0.000 1.023 283 D HN 0.446 nan 8.370 nan 0.000 0.499 284 N N -0.325 118.552 118.700 0.296 0.000 3.020 284 N HA 0.374 5.106 4.740 -0.013 0.000 0.248 284 N C -1.432 174.192 175.510 0.190 0.000 1.480 284 N CA -0.763 52.374 53.050 0.145 0.000 0.874 284 N CB 0.590 39.128 38.487 0.086 0.000 1.433 284 N HN -0.074 nan 8.380 nan 0.000 0.530 285 F N 0.101 120.080 119.950 0.049 0.000 2.460 285 F HA -0.205 4.314 4.527 -0.013 0.000 0.328 285 F C -0.019 175.800 175.800 0.031 0.000 1.081 285 F CA -0.048 57.957 58.000 0.009 0.000 1.136 285 F CB -1.263 37.685 39.000 -0.085 0.000 1.527 285 F HN 0.380 nan 8.300 nan 0.000 0.806 286 F N 3.285 123.245 119.950 0.016 0.000 2.612 286 F HA 0.172 4.691 4.527 -0.013 0.000 0.389 286 F C 0.687 176.439 175.800 -0.081 0.000 1.055 286 F CA 0.223 58.178 58.000 -0.074 0.000 1.232 286 F CB 0.340 39.241 39.000 -0.164 0.000 1.044 286 F HN 0.347 nan 8.300 nan 0.000 0.560 287 E N 4.088 123.790 120.200 -0.830 0.000 2.155 287 E HA 0.293 4.635 4.350 -0.013 0.000 0.264 287 E C 0.113 176.016 176.600 -1.161 0.000 0.886 287 E CA -0.659 55.290 56.400 -0.752 0.000 0.752 287 E CB 1.395 30.914 29.700 -0.302 0.000 1.133 287 E HN 0.874 nan 8.360 nan 0.000 0.414 288 G N 4.924 113.083 108.800 -1.069 0.000 3.180 288 G HA2 -0.045 3.907 3.960 -0.013 0.000 0.252 288 G HA3 -0.045 3.907 3.960 -0.013 0.000 0.252 288 G C 0.107 175.000 174.900 -0.013 0.000 0.871 288 G CA -0.139 44.544 45.100 -0.695 0.000 1.979 288 G HN 0.202 nan 8.290 nan 0.000 0.624 289 K N 0.749 121.120 120.400 -0.048 0.000 2.368 289 K HA 0.064 4.376 4.320 -0.013 0.000 0.282 289 K C 1.120 177.849 176.600 0.216 0.000 1.035 289 K CA -0.279 56.055 56.287 0.079 0.000 0.973 289 K CB 1.755 34.245 32.500 -0.017 0.000 0.957 289 K HN 0.535 nan 8.250 nan 0.000 0.474 290 E N 2.390 122.689 120.200 0.165 0.000 2.110 290 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 290 E C 1.494 178.118 176.600 0.040 0.000 0.988 290 E CA 0.884 57.336 56.400 0.087 0.000 0.804 290 E CB 0.176 29.927 29.700 0.085 0.000 0.745 290 E HN 0.422 nan 8.360 nan 0.000 0.458 291 L N 1.249 122.538 121.223 0.111 0.000 2.083 291 L HA -0.153 4.179 4.340 -0.013 0.000 0.209 291 L C 2.468 179.449 176.870 0.186 0.000 1.083 291 L CA 1.710 56.636 54.840 0.144 0.000 0.752 291 L CB -0.490 41.718 42.059 0.249 0.000 0.899 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.487 120.085 120.500 0.120 0.000 2.081 292 R HA -0.178 4.154 4.340 -0.013 0.000 0.235 292 R C 2.123 178.499 176.300 0.126 0.000 1.131 292 R CA 1.989 58.112 56.100 0.038 0.000 0.960 292 R CB -1.088 29.016 30.300 -0.327 0.000 0.856 292 R HN 0.405 nan 8.270 nan 0.000 0.436 293 L N 0.904 122.113 121.223 -0.023 0.000 2.083 293 L HA -0.092 4.240 4.340 -0.013 0.000 0.209 293 L C 1.714 178.538 176.870 -0.078 0.000 1.083 293 L CA 1.913 56.532 54.840 -0.368 0.000 0.752 293 L CB -0.408 41.105 42.059 -0.910 0.000 0.899 293 L HN 0.174 nan 8.230 nan 0.000 0.433 294 K N -0.965 119.424 120.400 -0.020 0.000 2.057 294 K HA -0.201 4.111 4.320 -0.013 0.000 0.207 294 K C 2.084 178.851 176.600 0.279 0.000 1.049 294 K CA 1.822 58.150 56.287 0.068 0.000 0.931 294 K CB -0.238 32.081 32.500 -0.301 0.000 0.714 294 K HN 0.505 nan 8.250 nan 0.000 0.440 295 Q N 0.764 120.698 119.800 0.222 0.000 2.061 295 Q HA -0.213 4.120 4.340 -0.013 0.000 0.204 295 Q C 2.019 178.233 176.000 0.358 0.000 0.984 295 Q CA 1.599 57.591 55.803 0.314 0.000 0.846 295 Q CB -0.078 28.869 28.738 0.347 0.000 0.902 295 Q HN 0.395 nan 8.270 nan 0.000 0.421 296 E N -0.248 120.121 120.200 0.281 0.000 2.077 296 E HA -0.210 4.132 4.350 -0.013 0.000 0.193 296 E C 1.768 178.503 176.600 0.225 0.000 0.989 296 E CA 1.045 57.594 56.400 0.250 0.000 0.800 296 E CB -0.159 29.672 29.700 0.218 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.452 297 Y N 0.464 120.829 120.300 0.110 0.000 2.242 297 Y HA -0.225 4.317 4.550 -0.013 0.000 0.291 297 Y C 1.967 177.918 175.900 0.084 0.000 1.137 297 Y CA 1.040 59.162 58.100 0.036 0.000 1.181 297 Y CB -0.378 38.072 38.460 -0.016 0.000 0.989 297 Y HN 0.012 nan 8.280 nan 0.000 0.527 298 F N -0.019 119.948 119.950 0.028 0.000 2.043 298 F HA -0.315 4.204 4.527 -0.013 0.000 0.297 298 F C 2.217 177.881 175.800 -0.227 0.000 1.118 298 F CA 2.323 60.285 58.000 -0.062 0.000 1.202 298 F CB -0.963 38.138 39.000 0.169 0.000 0.965 298 F HN -0.108 nan 8.300 nan 0.000 0.482 299 V N -0.491 119.399 119.914 -0.041 0.000 2.295 299 V HA -0.306 3.807 4.120 -0.013 0.000 0.246 299 V C 2.441 178.413 176.094 -0.203 0.000 1.049 299 V CA 1.664 63.930 62.300 -0.057 0.000 1.024 299 V CB -1.005 30.961 31.823 0.237 0.000 0.648 299 V HN 0.305 nan 8.190 nan 0.000 0.447 300 V N 0.201 120.005 119.914 -0.184 0.000 2.261 300 V HA -0.279 3.833 4.120 -0.013 0.000 0.246 300 V C 2.709 178.563 176.094 -0.400 0.000 1.047 300 V CA 2.246 64.418 62.300 -0.214 0.000 1.015 300 V CB -1.076 30.683 31.823 -0.107 0.000 0.642 300 V HN 0.566 nan 8.190 nan 0.000 0.446 301 A N -0.256 122.146 122.820 -0.697 0.000 1.855 301 A HA -0.096 4.216 4.320 -0.013 0.000 0.215 301 A C 2.414 179.633 177.584 -0.608 0.000 1.191 301 A CA 2.142 53.759 52.037 -0.700 0.000 0.613 301 A CB -0.896 17.470 19.000 -1.057 0.000 0.829 301 A HN 0.574 nan 8.150 nan 0.000 0.442 302 A N -1.019 121.274 122.820 -0.879 0.000 1.877 302 A HA -0.081 4.231 4.320 -0.013 0.000 0.216 302 A C 2.316 179.428 177.584 -0.787 0.000 1.186 302 A CA 2.343 53.666 52.037 -1.190 0.000 0.620 302 A CB -1.360 16.240 19.000 -2.332 0.000 0.822 302 A HN 0.435 nan 8.150 nan 0.000 0.443 303 T N 0.319 114.565 114.554 -0.513 0.000 2.652 303 T HA -0.142 4.200 4.350 -0.013 0.000 0.267 303 T C 1.718 176.165 174.700 -0.422 0.000 1.039 303 T CA 1.698 63.614 62.100 -0.308 0.000 1.153 303 T CB -0.361 68.325 68.868 -0.304 0.000 0.863 303 T HN 0.214 nan 8.240 nan 0.000 0.428 304 L N 1.105 122.122 121.223 -0.344 0.000 2.131 304 L HA -0.039 4.293 4.340 -0.013 0.000 0.210 304 L C 2.617 179.372 176.870 -0.191 0.000 1.092 304 L CA 1.483 56.164 54.840 -0.264 0.000 0.759 304 L CB -0.833 41.114 42.059 -0.188 0.000 0.903 304 L HN 0.313 nan 8.230 nan 0.000 0.435 305 Q N -0.792 118.894 119.800 -0.189 0.000 2.050 305 Q HA -0.236 4.096 4.340 -0.013 0.000 0.202 305 Q C 1.829 177.798 176.000 -0.052 0.000 0.980 305 Q CA 1.645 57.385 55.803 -0.105 0.000 0.840 305 Q CB -0.171 28.490 28.738 -0.128 0.000 0.898 305 Q HN 0.435 nan 8.270 nan 0.000 0.424 306 D N 0.550 120.921 120.400 -0.047 0.000 2.104 306 D HA -0.143 4.490 4.640 -0.013 0.000 0.194 306 D C 1.771 178.012 176.300 -0.099 0.000 0.994 306 D CA 0.992 54.998 54.000 0.010 0.000 0.830 306 D CB -0.143 40.753 40.800 0.161 0.000 0.959 306 D HN 0.196 nan 8.370 nan 0.000 0.452 307 I N 0.550 120.941 120.570 -0.298 0.000 2.179 307 I HA -0.248 3.914 4.170 -0.013 0.000 0.242 307 I C 2.227 178.354 176.117 0.016 0.000 1.088 307 I CA 0.583 61.649 61.300 -0.390 0.000 1.357 307 I CB -0.131 37.490 38.000 -0.631 0.000 1.051 307 I HN 0.047 nan 8.210 nan 0.000 0.409 308 I N 0.593 121.229 120.570 0.111 0.000 2.179 308 I HA -0.289 3.873 4.170 -0.013 0.000 0.242 308 I C 2.688 178.966 176.117 0.267 0.000 1.088 308 I CA 1.507 62.987 61.300 0.300 0.000 1.357 308 I CB -1.247 36.870 38.000 0.196 0.000 1.051 308 I HN 0.339 nan 8.210 nan 0.000 0.409 309 R N 1.188 121.770 120.500 0.136 0.000 2.080 309 R HA -0.183 4.149 4.340 -0.013 0.000 0.236 309 R C 2.476 178.835 176.300 0.098 0.000 1.137 309 R CA 1.617 57.776 56.100 0.100 0.000 0.943 309 R CB -0.186 30.146 30.300 0.054 0.000 0.846 309 R HN 0.252 nan 8.270 nan 0.000 0.431 310 R N -0.626 119.930 120.500 0.095 0.000 2.096 310 R HA -0.160 4.172 4.340 -0.013 0.000 0.235 310 R C 2.228 178.603 176.300 0.125 0.000 1.127 310 R CA 1.592 57.752 56.100 0.100 0.000 0.968 310 R CB -0.427 29.930 30.300 0.095 0.000 0.861 310 R HN 0.279 nan 8.270 nan 0.000 0.440 311 F N 1.999 121.967 119.950 0.030 0.000 2.134 311 F HA -0.169 4.349 4.527 -0.013 0.000 0.299 311 F C 1.795 177.581 175.800 -0.023 0.000 1.097 311 F CA 1.556 59.559 58.000 0.006 0.000 1.264 311 F CB 0.020 39.079 39.000 0.098 0.000 1.001 311 F HN -0.204 nan 8.300 nan 0.000 0.479 312 K N -0.506 119.842 120.400 -0.087 0.000 2.217 312 K HA -0.003 4.309 4.320 -0.013 0.000 0.202 312 K C 1.474 177.975 176.600 -0.164 0.000 1.051 312 K CA 1.166 57.330 56.287 -0.205 0.000 0.952 312 K CB -0.188 32.304 32.500 -0.014 0.000 0.736 312 K HN 0.101 nan 8.250 nan 0.000 0.453 313 S N 0.538 116.198 115.700 -0.067 0.000 2.685 313 S HA 0.025 4.487 4.470 -0.013 0.000 0.240 313 S C 1.183 175.777 174.600 -0.010 0.000 0.967 313 S CA 0.044 58.248 58.200 0.006 0.000 1.009 313 S CB 0.256 63.509 63.200 0.088 0.000 0.776 313 S HN 0.319 nan 8.310 nan 0.000 0.467 314 S N 0.362 115.962 115.700 -0.166 0.000 2.564 314 S HA 0.384 4.846 4.470 -0.013 0.000 0.231 314 S C 0.421 174.856 174.600 -0.275 0.000 1.067 314 S CA -0.231 57.828 58.200 -0.235 0.000 0.908 314 S CB 0.571 63.640 63.200 -0.219 0.000 0.809 314 S HN 0.318 nan 8.310 nan 0.000 0.491 326 F N 2.568 122.635 119.950 0.196 0.000 2.802 326 F HA 0.237 4.756 4.527 -0.013 0.000 0.300 326 F C 1.410 177.268 175.800 0.098 0.000 1.168 326 F CA 0.294 58.380 58.000 0.144 0.000 1.433 326 F CB 0.042 39.006 39.000 -0.059 0.000 1.115 326 F HN -0.061 nan 8.300 nan 0.000 0.582 327 D N 0.279 120.818 120.400 0.233 0.000 2.178 327 D HA -0.138 4.494 4.640 -0.013 0.000 0.201 327 D C 2.225 178.618 176.300 0.155 0.000 0.980 327 D CA 1.236 55.329 54.000 0.155 0.000 0.842 327 D CB -0.118 40.748 40.800 0.111 0.000 0.948 327 D HN 0.284 nan 8.370 nan 0.000 0.472 328 A N -0.415 122.532 122.820 0.213 0.000 2.251 328 A HA 0.047 4.360 4.320 -0.013 0.000 0.209 328 A C 1.716 179.432 177.584 0.220 0.000 1.187 328 A CA -0.249 51.915 52.037 0.212 0.000 0.823 328 A CB -0.676 18.457 19.000 0.222 0.000 0.846 328 A HN 0.135 nan 8.150 nan 0.000 0.486 329 F N 1.945 121.844 119.950 -0.085 0.000 2.065 329 F HA -0.126 4.393 4.527 -0.013 0.000 0.298 329 F C -0.780 174.907 175.800 -0.188 0.000 1.112 329 F CA 2.494 60.209 58.000 -0.474 0.000 1.212 329 F CB -0.538 38.159 39.000 -0.504 0.000 0.975 329 F HN 0.197 nan 8.300 nan 0.000 0.476 330 P HA -0.072 nan 4.420 nan 0.000 0.226 330 P C 0.598 177.860 177.300 -0.062 0.000 1.153 330 P CA 1.301 64.379 63.100 -0.036 0.000 0.777 330 P CB -0.081 31.616 31.700 -0.004 0.000 0.794 331 D N -0.658 119.726 120.400 -0.027 0.000 2.317 331 D HA -0.038 4.594 4.640 -0.013 0.000 0.211 331 D C 1.481 177.769 176.300 -0.020 0.000 0.966 331 D CA 0.948 54.943 54.000 -0.009 0.000 0.876 331 D CB 0.026 40.841 40.800 0.025 0.000 0.927 331 D HN 0.152 nan 8.370 nan 0.000 0.519 332 K N -0.111 120.255 120.400 -0.056 0.000 2.402 332 K HA 0.226 4.538 4.320 -0.013 0.000 0.203 332 K C -0.197 176.323 176.600 -0.135 0.000 1.077 332 K CA 0.056 56.319 56.287 -0.041 0.000 1.051 332 K CB 2.441 35.010 32.500 0.116 0.000 0.907 332 K HN -0.061 nan 8.250 nan 0.000 0.554 333 V N 1.140 120.888 119.914 -0.276 0.000 2.623 333 V HA 0.596 4.708 4.120 -0.013 0.000 0.304 333 V C -1.063 174.955 176.094 -0.127 0.000 1.054 333 V CA -1.263 60.873 62.300 -0.273 0.000 0.882 333 V CB 1.803 33.141 31.823 -0.808 0.000 1.002 333 V HN 0.121 nan 8.190 nan 0.000 0.424 334 A N 5.804 128.606 122.820 -0.030 0.000 2.330 334 A HA 0.907 5.220 4.320 -0.013 0.000 0.313 334 A C -0.867 176.761 177.584 0.074 0.000 1.124 334 A CA -0.475 51.570 52.037 0.013 0.000 0.774 334 A CB 0.855 19.796 19.000 -0.098 0.000 1.198 334 A HN 0.780 nan 8.150 nan 0.000 0.465 335 I N 2.043 122.688 120.570 0.126 0.000 2.354 335 I HA 0.270 4.432 4.170 -0.013 0.000 0.286 335 I C -0.207 176.004 176.117 0.156 0.000 1.007 335 I CA -0.496 60.883 61.300 0.133 0.000 1.167 335 I CB 1.755 39.807 38.000 0.088 0.000 1.320 335 I HN 0.676 nan 8.210 nan 0.000 0.458 336 Q N 6.872 126.764 119.800 0.152 0.000 2.314 336 Q HA 0.486 4.818 4.340 -0.013 0.000 0.259 336 Q C -1.239 174.758 176.000 -0.005 0.000 0.951 336 Q CA -0.252 55.659 55.803 0.181 0.000 0.909 336 Q CB 1.258 30.211 28.738 0.359 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.784 125.047 121.223 0.066 0.000 2.261 337 L HA 0.389 4.721 4.340 -0.013 0.000 0.289 337 L C 0.076 176.984 176.870 0.062 0.000 1.059 337 L CA -0.741 54.135 54.840 0.059 0.000 0.816 337 L CB 0.547 42.687 42.059 0.135 0.000 1.191 337 L HN 0.545 nan 8.230 nan 0.000 0.431 338 N N 3.620 122.276 118.700 -0.073 0.000 2.421 338 N HA 0.080 4.812 4.740 -0.013 0.000 0.260 338 N C -0.203 175.342 175.510 0.058 0.000 1.173 338 N CA 0.516 53.578 53.050 0.021 0.000 0.960 338 N CB -0.095 38.322 38.487 -0.115 0.000 1.273 338 N HN 0.635 nan 8.380 nan 0.000 0.497 339 D N -0.362 120.176 120.400 0.229 0.000 4.658 339 D HA -0.234 4.398 4.640 -0.013 0.000 0.304 339 D C 0.443 176.825 176.300 0.137 0.000 2.363 339 D CA 1.731 55.819 54.000 0.147 0.000 1.179 339 D CB -0.408 40.157 40.800 -0.391 0.000 1.091 339 D HN 0.509 nan 8.370 nan 0.000 1.274 340 T N -2.848 111.711 114.554 0.008 0.000 3.129 340 T HA 0.084 4.426 4.350 -0.013 0.000 0.251 340 T C 1.546 176.306 174.700 0.101 0.000 1.117 340 T CA 1.525 63.611 62.100 -0.023 0.000 1.034 340 T CB -0.503 68.318 68.868 -0.078 0.000 0.968 340 T HN 0.527 nan 8.240 nan 0.000 0.526 341 H N 2.601 121.758 119.070 0.145 0.000 2.352 341 H HA -0.002 4.546 4.556 -0.013 0.000 0.299 341 H C -0.810 174.615 175.328 0.163 0.000 1.097 341 H CA 1.049 57.203 56.048 0.176 0.000 1.311 341 H CB -0.833 29.033 29.762 0.174 0.000 1.377 341 H HN 0.434 nan 8.280 nan 0.000 0.504 342 P HA 0.073 nan 4.420 nan 0.000 0.254 342 P C 0.726 178.081 177.300 0.092 0.000 1.620 342 P CA 0.371 63.565 63.100 0.156 0.000 1.050 342 P CB 0.287 32.068 31.700 0.136 0.000 1.539 343 S N -0.223 115.521 115.700 0.074 0.000 2.440 343 S HA -0.135 4.327 4.470 -0.013 0.000 0.238 343 S C 1.773 176.386 174.600 0.021 0.000 1.010 343 S CA 0.760 58.961 58.200 0.002 0.000 0.972 343 S CB -1.509 61.658 63.200 -0.055 0.000 0.774 343 S HN 0.148 nan 8.310 nan 0.000 0.501 344 L N 1.002 122.257 121.223 0.053 0.000 2.450 344 L HA -0.020 4.312 4.340 -0.013 0.000 0.224 344 L C 2.927 179.850 176.870 0.089 0.000 1.149 344 L CA 0.679 55.556 54.840 0.062 0.000 0.816 344 L CB -0.754 41.343 42.059 0.063 0.000 0.932 344 L HN 0.483 nan 8.230 nan 0.000 0.449 345 A N 0.433 123.283 122.820 0.050 0.000 1.978 345 A HA -0.196 4.116 4.320 -0.013 0.000 0.220 345 A C 2.169 179.762 177.584 0.015 0.000 1.170 345 A CA 1.489 53.539 52.037 0.022 0.000 0.636 345 A CB -0.458 18.544 19.000 0.003 0.000 0.810 345 A HN 0.372 nan 8.150 nan 0.000 0.448 346 I N 0.305 120.886 120.570 0.018 0.000 2.110 346 I HA -0.143 4.019 4.170 -0.013 0.000 0.236 346 I C -0.321 175.824 176.117 0.047 0.000 1.068 346 I CA 1.585 62.894 61.300 0.016 0.000 1.333 346 I CB -0.950 37.064 38.000 0.023 0.000 1.054 346 I HN 0.236 nan 8.210 nan 0.000 0.402 347 P HA -0.179 nan 4.420 nan 0.000 0.221 347 P C 1.283 178.597 177.300 0.024 0.000 1.150 347 P CA 1.515 64.650 63.100 0.058 0.000 0.800 347 P CB 0.027 31.790 31.700 0.104 0.000 0.787 348 E N 0.289 120.586 120.200 0.162 0.000 2.072 348 E HA -0.162 4.180 4.350 -0.013 0.000 0.191 348 E C 1.948 178.532 176.600 -0.026 0.000 0.985 348 E CA 0.748 57.256 56.400 0.179 0.000 0.801 348 E CB -1.231 28.635 29.700 0.277 0.000 0.750 348 E HN 0.009 nan 8.360 nan 0.000 0.452 349 L N -0.062 121.116 121.223 -0.074 0.000 2.017 349 L HA -0.123 4.209 4.340 -0.013 0.000 0.208 349 L C 2.149 178.865 176.870 -0.257 0.000 1.073 349 L CA 1.805 56.537 54.840 -0.180 0.000 0.745 349 L CB -0.588 41.366 42.059 -0.174 0.000 0.894 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.758 118.704 119.600 -0.228 0.000 2.108 350 M HA -0.243 4.229 4.480 -0.013 0.000 0.261 350 M C 2.450 178.560 176.300 -0.315 0.000 1.066 350 M CA 1.641 56.744 55.300 -0.329 0.000 1.107 350 M CB -1.270 31.110 32.600 -0.368 0.000 1.356 350 M HN 0.344 nan 8.290 nan 0.000 0.406 351 R N -0.007 120.339 120.500 -0.257 0.000 2.083 351 R HA -0.130 4.202 4.340 -0.013 0.000 0.237 351 R C 2.088 178.274 176.300 -0.190 0.000 1.137 351 R CA 1.669 57.624 56.100 -0.241 0.000 0.951 351 R CB -0.183 29.916 30.300 -0.335 0.000 0.851 351 R HN 0.217 nan 8.270 nan 0.000 0.434 352 V N 1.475 121.277 119.914 -0.187 0.000 2.295 352 V HA -0.260 3.852 4.120 -0.013 0.000 0.246 352 V C 2.422 178.345 176.094 -0.284 0.000 1.049 352 V CA 1.771 63.956 62.300 -0.191 0.000 1.024 352 V CB -0.417 31.295 31.823 -0.184 0.000 0.648 352 V HN 0.343 nan 8.190 nan 0.000 0.447 353 L N -0.668 120.316 121.223 -0.398 0.000 2.056 353 L HA -0.128 4.205 4.340 -0.013 0.000 0.207 353 L C 2.384 179.051 176.870 -0.337 0.000 1.078 353 L CA 1.089 55.619 54.840 -0.517 0.000 0.749 353 L CB -0.573 41.127 42.059 -0.599 0.000 0.901 353 L HN 0.202 nan 8.230 nan 0.000 0.433 354 V N -0.592 119.169 119.914 -0.256 0.000 2.331 354 V HA -0.178 3.934 4.120 -0.013 0.000 0.242 354 V C 1.937 177.981 176.094 -0.084 0.000 1.034 354 V CA 1.680 63.896 62.300 -0.139 0.000 1.027 354 V CB -0.340 31.431 31.823 -0.086 0.000 0.667 354 V HN 0.356 nan 8.190 nan 0.000 0.457 355 D N -0.153 120.192 120.400 -0.091 0.000 2.194 355 D HA 0.008 4.640 4.640 -0.013 0.000 0.204 355 D C 1.993 178.261 176.300 -0.053 0.000 0.964 355 D CA 1.103 55.069 54.000 -0.058 0.000 0.846 355 D CB 0.152 40.915 40.800 -0.061 0.000 0.962 355 D HN 0.336 nan 8.370 nan 0.000 0.490 356 L N 0.152 121.328 121.223 -0.078 0.000 2.362 356 L HA 0.123 4.455 4.340 -0.013 0.000 0.204 356 L C 1.816 178.655 176.870 -0.053 0.000 1.060 356 L CA 0.405 55.212 54.840 -0.056 0.000 0.827 356 L CB 0.122 42.149 42.059 -0.053 0.000 1.027 356 L HN -0.211 nan 8.230 nan 0.000 0.474 357 E N 0.453 120.584 120.200 -0.114 0.000 2.478 357 E HA 0.037 4.379 4.350 -0.013 0.000 0.194 357 E C 0.118 176.681 176.600 -0.063 0.000 1.045 357 E CA -0.048 56.293 56.400 -0.098 0.000 0.868 357 E CB 0.301 29.811 29.700 -0.317 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.505 358 R N 0.177 120.635 120.500 -0.070 0.000 3.651 358 R HA -0.166 4.166 4.340 -0.013 0.000 0.292 358 R C -0.157 176.127 176.300 -0.027 0.000 1.161 358 R CA 0.362 56.444 56.100 -0.029 0.000 0.787 358 R CB -2.612 27.690 30.300 0.004 0.000 1.249 358 R HN 0.218 nan 8.270 nan 0.000 0.476 359 L N 1.758 122.933 121.223 -0.079 0.000 2.418 359 L HA 0.162 4.494 4.340 -0.013 0.000 0.265 359 L C 1.437 178.296 176.870 -0.017 0.000 1.143 359 L CA -0.324 54.479 54.840 -0.061 0.000 0.809 359 L CB 0.483 42.455 42.059 -0.146 0.000 1.124 359 L HN 0.134 nan 8.230 nan 0.000 0.456 360 D N 0.829 121.244 120.400 0.025 0.000 2.382 360 D HA -0.148 4.484 4.640 -0.013 0.000 0.240 360 D C 0.819 177.186 176.300 0.110 0.000 1.146 360 D CA -0.463 53.586 54.000 0.082 0.000 0.897 360 D CB 1.184 42.036 40.800 0.088 0.000 1.197 360 D HN 0.665 nan 8.370 nan 0.000 0.432 361 W N 2.128 123.427 121.300 -0.001 0.000 2.318 361 W HA -0.229 4.423 4.660 -0.013 0.000 0.313 361 W C 0.967 177.525 176.519 0.065 0.000 1.221 361 W CA 1.868 59.218 57.345 0.009 0.000 1.266 361 W CB -0.202 29.245 29.460 -0.022 0.000 1.150 361 W HN 0.454 nan 8.180 nan 0.000 0.496 362 D N 0.323 120.911 120.400 0.312 0.000 2.104 362 D HA -0.208 4.424 4.640 -0.013 0.000 0.194 362 D C 1.897 178.294 176.300 0.161 0.000 0.994 362 D CA 2.009 56.166 54.000 0.262 0.000 0.830 362 D CB -0.465 40.458 40.800 0.204 0.000 0.959 362 D HN 0.054 nan 8.370 nan 0.000 0.452 363 K N 1.146 121.598 120.400 0.088 0.000 2.025 363 K HA 0.016 4.328 4.320 -0.013 0.000 0.207 363 K C 1.855 178.438 176.600 -0.028 0.000 1.049 363 K CA 1.519 57.829 56.287 0.038 0.000 0.933 363 K CB -0.672 31.847 32.500 0.031 0.000 0.714 363 K HN 0.003 nan 8.250 nan 0.000 0.438 364 A N 0.622 123.382 122.820 -0.099 0.000 1.917 364 A HA -0.207 4.105 4.320 -0.013 0.000 0.219 364 A C 2.273 179.753 177.584 -0.174 0.000 1.182 364 A CA 1.630 53.535 52.037 -0.221 0.000 0.633 364 A CB -1.213 17.588 19.000 -0.331 0.000 0.819 364 A HN 0.710 nan 8.150 nan 0.000 0.448 365 W N 0.540 121.636 121.300 -0.339 0.000 2.381 365 W HA -0.141 4.511 4.660 -0.013 0.000 0.301 365 W C 2.020 178.478 176.519 -0.100 0.000 1.205 365 W CA 1.667 58.863 57.345 -0.249 0.000 1.285 365 W CB -0.122 29.231 29.460 -0.179 0.000 1.133 365 W HN 0.625 nan 8.180 nan 0.000 0.521 366 E N 0.229 120.409 120.200 -0.032 0.000 2.058 366 E HA -0.237 4.105 4.350 -0.013 0.000 0.194 366 E C 2.014 178.525 176.600 -0.147 0.000 0.997 366 E CA 2.065 58.413 56.400 -0.087 0.000 0.801 366 E CB -0.344 29.363 29.700 0.011 0.000 0.746 366 E HN 0.060 nan 8.360 nan 0.000 0.450 367 V N 0.757 120.598 119.914 -0.123 0.000 2.295 367 V HA -0.263 3.849 4.120 -0.013 0.000 0.246 367 V C 2.446 178.454 176.094 -0.143 0.000 1.049 367 V CA 2.222 64.463 62.300 -0.099 0.000 1.024 367 V CB -0.827 30.923 31.823 -0.122 0.000 0.648 367 V HN 0.388 nan 8.190 nan 0.000 0.447 368 T N 0.096 114.492 114.554 -0.264 0.000 2.652 368 T HA -0.186 4.156 4.350 -0.013 0.000 0.267 368 T C 1.942 176.444 174.700 -0.331 0.000 1.039 368 T CA 1.830 63.750 62.100 -0.301 0.000 1.153 368 T CB -0.314 68.329 68.868 -0.375 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.392 120.982 119.914 -0.540 0.000 2.343 369 V HA -0.178 3.934 4.120 -0.013 0.000 0.247 369 V C 2.367 178.409 176.094 -0.088 0.000 1.051 369 V CA 1.649 63.703 62.300 -0.411 0.000 1.036 369 V CB -0.511 30.987 31.823 -0.541 0.000 0.654 369 V HN 0.463 nan 8.190 nan 0.000 0.451 370 K N -0.397 119.931 120.400 -0.119 0.000 2.283 370 K HA -0.097 4.215 4.320 -0.013 0.000 0.202 370 K C 2.118 178.682 176.600 -0.060 0.000 1.048 370 K CA 1.586 57.787 56.287 -0.144 0.000 0.948 370 K CB -0.243 32.169 32.500 -0.146 0.000 0.742 370 K HN 0.479 nan 8.250 nan 0.000 0.458 371 T N 0.218 114.796 114.554 0.039 0.000 2.937 371 T HA 0.001 4.343 4.350 -0.013 0.000 0.260 371 T C 0.938 175.745 174.700 0.177 0.000 1.051 371 T CA 0.475 62.640 62.100 0.107 0.000 1.141 371 T CB 0.066 69.039 68.868 0.175 0.000 0.879 371 T HN 0.168 nan 8.240 nan 0.000 0.459 372 C N 2.203 121.591 119.300 0.146 0.000 2.365 372 C HA 0.886 5.338 4.460 -0.013 0.000 0.351 372 C C 0.564 175.605 174.990 0.086 0.000 1.240 372 C CA -1.205 57.877 59.018 0.105 0.000 2.062 372 C CB 0.196 27.936 27.740 -0.001 0.000 2.387 372 C HN 0.600 nan 8.230 nan 0.000 0.537 373 A N 2.083 124.946 122.820 0.072 0.000 2.539 373 A HA 0.776 5.088 4.320 -0.013 0.000 0.296 373 A C -1.614 176.034 177.584 0.107 0.000 1.073 373 A CA -0.433 51.589 52.037 -0.024 0.000 0.700 373 A CB 1.090 20.059 19.000 -0.052 0.000 1.296 373 A HN 0.949 nan 8.150 nan 0.000 0.405 374 Y N 1.034 121.274 120.300 -0.101 0.000 2.361 374 Y HA 0.619 5.162 4.550 -0.013 0.000 0.337 374 Y C -0.568 175.302 175.900 -0.050 0.000 0.965 374 Y CA -0.346 57.707 58.100 -0.079 0.000 1.091 374 Y CB 2.027 40.395 38.460 -0.155 0.000 1.182 374 Y HN 0.572 nan 8.280 nan 0.000 0.450 375 T N 6.489 120.862 114.554 -0.301 0.000 2.758 375 T HA 0.169 4.512 4.350 -0.013 0.000 0.285 375 T C -0.686 173.570 174.700 -0.740 0.000 0.981 375 T CA -0.753 61.089 62.100 -0.430 0.000 0.965 375 T CB 0.355 69.207 68.868 -0.026 0.000 0.927 375 T HN 0.628 nan 8.240 nan 0.000 0.448 376 N N 1.946 120.168 118.700 -0.796 0.000 2.479 376 N HA 0.105 4.837 4.740 -0.013 0.000 0.285 376 N C -0.012 175.369 175.510 -0.215 0.000 1.075 376 N CA -0.278 52.539 53.050 -0.389 0.000 0.967 376 N CB 0.700 39.111 38.487 -0.127 0.000 1.137 376 N HN 0.665 nan 8.380 nan 0.000 0.472 377 H N 1.241 120.337 119.070 0.044 0.000 2.674 377 H HA 0.185 4.733 4.556 -0.013 0.000 0.274 377 H C -0.239 174.996 175.328 -0.156 0.000 1.121 377 H CA -0.088 55.931 56.048 -0.048 0.000 1.132 377 H CB 1.004 30.742 29.762 -0.041 0.000 1.606 377 H HN 0.556 nan 8.280 nan 0.000 0.558 378 T N -0.057 114.491 114.554 -0.010 0.000 2.831 378 T HA 0.151 4.493 4.350 -0.013 0.000 0.333 378 T C 0.451 175.151 174.700 0.000 0.000 1.684 378 T CA -0.195 61.836 62.100 -0.115 0.000 1.049 378 T CB 0.999 69.781 68.868 -0.144 0.000 1.518 378 T HN -0.053 nan 8.240 nan 0.000 0.491 379 V N 1.324 121.197 119.914 -0.069 0.000 3.661 379 V HA 0.551 4.663 4.120 -0.013 0.000 0.271 379 V C 0.852 176.881 176.094 -0.108 0.000 1.315 379 V CA 0.130 62.393 62.300 -0.061 0.000 1.072 379 V CB -0.393 31.405 31.823 -0.041 0.000 0.830 379 V HN 0.711 nan 8.190 nan 0.000 0.443 380 L N 3.178 124.306 121.223 -0.159 0.000 2.562 380 L HA 0.196 4.528 4.340 -0.013 0.000 0.271 380 L C -0.677 176.117 176.870 -0.127 0.000 1.167 380 L CA -0.918 53.827 54.840 -0.159 0.000 0.917 380 L CB 0.656 42.567 42.059 -0.248 0.000 1.187 380 L HN 0.163 nan 8.230 nan 0.000 0.482 381 P HA -0.189 nan 4.420 nan 0.000 0.220 381 P C 0.963 178.217 177.300 -0.076 0.000 1.148 381 P CA 1.087 64.143 63.100 -0.073 0.000 0.803 381 P CB 0.083 31.753 31.700 -0.049 0.000 0.782 382 E N 0.422 120.555 120.200 -0.113 0.000 2.478 382 E HA -0.047 4.295 4.350 -0.013 0.000 0.198 382 E C 1.588 178.131 176.600 -0.095 0.000 1.046 382 E CA 0.928 57.261 56.400 -0.112 0.000 0.870 382 E CB -0.729 28.821 29.700 -0.250 0.000 0.818 382 E HN 0.186 nan 8.360 nan 0.000 0.527 383 A N 1.209 123.963 122.820 -0.111 0.000 2.132 383 A HA 0.204 4.516 4.320 -0.013 0.000 0.213 383 A C 1.392 178.952 177.584 -0.040 0.000 1.154 383 A CA -0.242 51.768 52.037 -0.044 0.000 0.753 383 A CB -0.175 18.787 19.000 -0.064 0.000 0.826 383 A HN 0.181 nan 8.150 nan 0.000 0.469 384 L N 1.417 122.581 121.223 -0.098 0.000 2.453 384 L HA 0.084 4.417 4.340 -0.013 0.000 0.272 384 L C 0.033 176.594 176.870 -0.514 0.000 1.182 384 L CA -0.091 54.636 54.840 -0.189 0.000 0.858 384 L CB 0.524 42.504 42.059 -0.133 0.000 1.120 384 L HN 0.333 nan 8.230 nan 0.000 0.474 385 E N 4.399 124.178 120.200 -0.702 0.000 2.152 385 E HA 0.241 4.583 4.350 -0.013 0.000 0.285 385 E C -0.677 175.304 176.600 -1.032 0.000 1.043 385 E CA -0.258 55.251 56.400 -1.486 0.000 0.839 385 E CB 0.735 29.890 29.700 -0.908 0.000 1.069 385 E HN 0.398 nan 8.360 nan 0.000 0.399 386 R N 3.804 123.630 120.500 -1.122 0.000 2.472 386 R HA 0.206 4.538 4.340 -0.013 0.000 0.294 386 R C -1.226 174.953 176.300 -0.201 0.000 1.243 386 R CA -0.595 55.254 56.100 -0.420 0.000 1.023 386 R CB 0.863 31.043 30.300 -0.200 0.000 1.157 386 R HN 0.436 nan 8.270 nan 0.000 0.530 387 W N 4.404 125.706 121.300 0.002 0.000 2.316 387 W HA 0.278 4.930 4.660 -0.013 0.000 0.311 387 W C -1.917 174.584 176.519 -0.030 0.000 1.217 387 W CA -2.199 55.190 57.345 0.073 0.000 1.199 387 W CB 0.674 30.152 29.460 0.030 0.000 1.202 387 W HN 0.255 nan 8.180 nan 0.000 0.528 388 P HA -0.117 nan 4.420 nan 0.000 0.264 388 P C 0.902 178.089 177.300 -0.188 0.000 1.193 388 P CA 0.220 63.224 63.100 -0.159 0.000 0.763 388 P CB 0.632 32.001 31.700 -0.550 0.000 0.810 389 V N 2.530 122.377 119.914 -0.112 0.000 2.490 389 V HA -0.288 3.824 4.120 -0.013 0.000 0.250 389 V C 2.007 178.103 176.094 0.003 0.000 1.061 389 V CA 1.945 64.230 62.300 -0.024 0.000 1.064 389 V CB -1.854 30.023 31.823 0.089 0.000 0.670 389 V HN 0.693 nan 8.190 nan 0.000 0.461 390 H N -0.172 118.963 119.070 0.108 0.000 2.387 390 H HA -0.124 4.424 4.556 -0.013 0.000 0.299 390 H C 2.223 177.605 175.328 0.091 0.000 1.090 390 H CA 1.835 57.941 56.048 0.097 0.000 1.332 390 H CB -0.253 29.566 29.762 0.095 0.000 1.386 390 H HN 0.488 nan 8.280 nan 0.000 0.516 391 L N 1.335 122.637 121.223 0.132 0.000 2.056 391 L HA -0.056 4.276 4.340 -0.013 0.000 0.207 391 L C 2.585 179.479 176.870 0.040 0.000 1.078 391 L CA 1.113 56.063 54.840 0.185 0.000 0.749 391 L CB -0.693 41.457 42.059 0.152 0.000 0.901 391 L HN 0.232 nan 8.230 nan 0.000 0.433 392 L N -0.673 120.531 121.223 -0.032 0.000 2.046 392 L HA -0.221 4.111 4.340 -0.013 0.000 0.208 392 L C 2.569 179.400 176.870 -0.066 0.000 1.077 392 L CA 1.610 56.386 54.840 -0.107 0.000 0.747 392 L CB -0.555 41.423 42.059 -0.135 0.000 0.896 392 L HN 0.418 nan 8.230 nan 0.000 0.432 393 E N -0.414 119.789 120.200 0.005 0.000 2.077 393 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 393 E C 1.963 178.613 176.600 0.083 0.000 0.989 393 E CA 1.874 58.300 56.400 0.044 0.000 0.800 393 E CB 0.125 29.886 29.700 0.102 0.000 0.746 393 E HN 0.421 nan 8.360 nan 0.000 0.452 394 T N 1.085 115.716 114.554 0.129 0.000 2.732 394 T HA -0.126 4.216 4.350 -0.013 0.000 0.261 394 T C 1.773 176.603 174.700 0.217 0.000 1.040 394 T CA 1.028 63.252 62.100 0.206 0.000 1.145 394 T CB -0.211 68.804 68.868 0.245 0.000 0.866 394 T HN 0.088 nan 8.240 nan 0.000 0.427 395 L N 0.003 121.255 121.223 0.049 0.000 2.095 395 L HA 0.303 4.635 4.340 -0.013 0.000 0.204 395 L C 0.472 177.303 176.870 -0.066 0.000 1.080 395 L CA 1.635 56.374 54.840 -0.169 0.000 0.759 395 L CB -0.029 41.882 42.059 -0.247 0.000 0.914 395 L HN 0.192 nan 8.230 nan 0.000 0.439 396 L N 0.638 121.783 121.223 -0.129 0.000 2.551 396 L HA 0.289 4.621 4.340 -0.013 0.000 0.248 396 L C -1.712 174.991 176.870 -0.278 0.000 1.509 396 L CA -0.956 53.716 54.840 -0.280 0.000 0.842 396 L CB 0.867 42.607 42.059 -0.531 0.000 1.087 396 L HN -0.051 nan 8.230 nan 0.000 0.512 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.457 178.582 177.300 -0.292 0.000 1.150 397 P CA 1.103 64.100 63.100 -0.171 0.000 0.837 397 P CB 0.389 32.060 31.700 -0.047 0.000 0.786 398 R N -0.160 119.981 120.500 -0.598 0.000 2.092 398 R HA -0.136 4.196 4.340 -0.013 0.000 0.231 398 R C 2.272 178.278 176.300 -0.490 0.000 1.119 398 R CA 1.640 57.390 56.100 -0.583 0.000 0.970 398 R CB -1.647 28.131 30.300 -0.870 0.000 0.864 398 R HN 0.259 nan 8.270 nan 0.000 0.440 399 H N -0.674 118.090 119.070 -0.509 0.000 2.357 399 H HA -0.053 4.495 4.556 -0.013 0.000 0.301 399 H C 1.574 176.741 175.328 -0.268 0.000 1.082 399 H CA 1.556 57.391 56.048 -0.355 0.000 1.342 399 H CB -0.208 29.305 29.762 -0.416 0.000 1.389 399 H HN 0.103 nan 8.280 nan 0.000 0.511 400 L N 0.932 122.048 121.223 -0.179 0.000 2.046 400 L HA -0.207 4.125 4.340 -0.013 0.000 0.208 400 L C 1.932 178.645 176.870 -0.263 0.000 1.077 400 L CA 1.675 56.349 54.840 -0.277 0.000 0.747 400 L CB -0.577 41.334 42.059 -0.245 0.000 0.896 400 L HN 0.279 nan 8.230 nan 0.000 0.432 401 Q N -0.655 119.089 119.800 -0.093 0.000 2.096 401 Q HA -0.226 4.106 4.340 -0.013 0.000 0.204 401 Q C 2.304 178.332 176.000 0.046 0.000 0.982 401 Q CA 2.189 58.018 55.803 0.043 0.000 0.850 401 Q CB -0.265 28.503 28.738 0.049 0.000 0.901 401 Q HN 0.578 nan 8.270 nan 0.000 0.422 402 I N 0.253 120.833 120.570 0.017 0.000 2.252 402 I HA -0.266 3.896 4.170 -0.013 0.000 0.245 402 I C 2.158 178.361 176.117 0.143 0.000 1.102 402 I CA 0.930 62.331 61.300 0.170 0.000 1.385 402 I CB -0.148 37.896 38.000 0.073 0.000 1.064 402 I HN 0.189 nan 8.210 nan 0.000 0.414 403 I N -0.340 120.228 120.570 -0.004 0.000 2.208 403 I HA -0.335 3.827 4.170 -0.013 0.000 0.245 403 I C 2.419 178.542 176.117 0.010 0.000 1.097 403 I CA 1.554 62.831 61.300 -0.039 0.000 1.363 403 I CB -0.393 37.514 38.000 -0.155 0.000 1.051 403 I HN 0.154 nan 8.210 nan 0.000 0.413 404 Y N 0.727 121.030 120.300 0.005 0.000 2.181 404 Y HA -0.279 4.263 4.550 -0.013 0.000 0.288 404 Y C 2.594 178.453 175.900 -0.069 0.000 1.146 404 Y CA 1.585 59.671 58.100 -0.022 0.000 1.164 404 Y CB -0.736 37.703 38.460 -0.036 0.000 0.982 404 Y HN 0.204 nan 8.280 nan 0.000 0.515 405 E N 0.315 120.540 120.200 0.041 0.000 2.072 405 E HA -0.125 4.217 4.350 -0.013 0.000 0.191 405 E C 2.089 178.603 176.600 -0.143 0.000 0.985 405 E CA 1.119 57.397 56.400 -0.203 0.000 0.801 405 E CB -0.523 28.821 29.700 -0.593 0.000 0.750 405 E HN 0.462 nan 8.360 nan 0.000 0.452 406 I N 0.774 121.358 120.570 0.023 0.000 2.163 406 I HA -0.320 3.842 4.170 -0.013 0.000 0.243 406 I C 2.280 178.388 176.117 -0.015 0.000 1.085 406 I CA 1.497 62.740 61.300 -0.095 0.000 1.347 406 I CB -0.422 37.516 38.000 -0.104 0.000 1.044 406 I HN 0.214 nan 8.210 nan 0.000 0.408 407 N N 0.592 119.338 118.700 0.076 0.000 2.084 407 N HA -0.274 4.458 4.740 -0.013 0.000 0.190 407 N C 1.820 177.415 175.510 0.141 0.000 1.030 407 N CA 1.599 54.749 53.050 0.167 0.000 0.849 407 N CB -0.145 38.459 38.487 0.196 0.000 1.012 407 N HN 0.237 nan 8.380 nan 0.000 0.423 408 Q N 0.562 120.390 119.800 0.048 0.000 2.061 408 Q HA -0.042 4.290 4.340 -0.013 0.000 0.204 408 Q C 2.016 178.004 176.000 -0.020 0.000 0.984 408 Q CA 1.729 57.526 55.803 -0.010 0.000 0.846 408 Q CB -0.121 28.570 28.738 -0.080 0.000 0.902 408 Q HN 0.348 nan 8.270 nan 0.000 0.421 409 R N -1.102 119.369 120.500 -0.049 0.000 2.092 409 R HA -0.074 4.258 4.340 -0.013 0.000 0.231 409 R C 2.138 178.472 176.300 0.058 0.000 1.119 409 R CA 1.267 57.341 56.100 -0.042 0.000 0.970 409 R CB -0.457 29.774 30.300 -0.116 0.000 0.864 409 R HN 0.298 nan 8.270 nan 0.000 0.440 410 F N 1.317 121.251 119.950 -0.026 0.000 2.146 410 F HA -0.096 4.423 4.527 -0.013 0.000 0.298 410 F C 1.748 177.582 175.800 0.058 0.000 1.096 410 F CA 1.358 59.395 58.000 0.063 0.000 1.275 410 F CB -0.109 38.962 39.000 0.118 0.000 1.008 410 F HN -0.106 nan 8.300 nan 0.000 0.480 411 L N 0.028 121.261 121.223 0.016 0.000 2.201 411 L HA -0.202 4.130 4.340 -0.013 0.000 0.212 411 L C 2.080 178.888 176.870 -0.103 0.000 1.105 411 L CA 0.767 55.556 54.840 -0.086 0.000 0.775 411 L CB -0.819 41.258 42.059 0.029 0.000 0.913 411 L HN 0.151 nan 8.230 nan 0.000 0.440 412 N N 0.541 119.201 118.700 -0.067 0.000 2.120 412 N HA -0.159 4.573 4.740 -0.013 0.000 0.188 412 N C 1.898 177.359 175.510 -0.082 0.000 1.024 412 N CA 1.212 54.225 53.050 -0.062 0.000 0.852 412 N CB -0.181 38.278 38.487 -0.046 0.000 1.003 412 N HN 0.288 nan 8.380 nan 0.000 0.424 413 R N 0.225 120.659 120.500 -0.110 0.000 2.081 413 R HA -0.020 4.312 4.340 -0.013 0.000 0.235 413 R C 2.118 178.321 176.300 -0.162 0.000 1.131 413 R CA 0.931 56.957 56.100 -0.123 0.000 0.960 413 R CB -0.482 29.753 30.300 -0.109 0.000 0.856 413 R HN 0.049 nan 8.270 nan 0.000 0.436 414 V N 1.122 120.883 119.914 -0.254 0.000 2.287 414 V HA -0.269 3.844 4.120 -0.013 0.000 0.248 414 V C 2.475 178.569 176.094 -0.001 0.000 1.053 414 V CA 2.053 64.273 62.300 -0.133 0.000 1.027 414 V CB -0.800 30.874 31.823 -0.249 0.000 0.646 414 V HN 0.422 nan 8.190 nan 0.000 0.447 415 A N -0.118 122.673 122.820 -0.047 0.000 1.933 415 A HA -0.094 4.218 4.320 -0.013 0.000 0.218 415 A C 2.389 179.954 177.584 -0.032 0.000 1.175 415 A CA 2.079 54.104 52.037 -0.020 0.000 0.628 415 A CB -0.698 18.282 19.000 -0.033 0.000 0.814 415 A HN 0.585 nan 8.150 nan 0.000 0.444 416 A N -0.396 122.386 122.820 -0.062 0.000 1.929 416 A HA 0.261 4.573 4.320 -0.013 0.000 0.216 416 A C 2.429 179.929 177.584 -0.139 0.000 1.176 416 A CA 1.790 53.778 52.037 -0.081 0.000 0.628 416 A CB -0.778 18.178 19.000 -0.073 0.000 0.816 416 A HN 0.970 nan 8.150 nan 0.000 0.444 417 A N -1.584 121.115 122.820 -0.201 0.000 1.970 417 A HA 0.314 4.626 4.320 -0.013 0.000 0.216 417 A C 0.522 177.672 177.584 -0.724 0.000 1.170 417 A CA 0.648 52.400 52.037 -0.474 0.000 0.645 417 A CB -0.230 18.433 19.000 -0.562 0.000 0.816 417 A HN 0.436 nan 8.150 nan 0.000 0.447 418 F N -0.132 119.771 119.950 -0.078 0.000 2.584 418 F HA 0.342 4.861 4.527 -0.013 0.000 0.328 418 F C -2.779 172.984 175.800 -0.062 0.000 1.407 418 F CA -2.803 55.155 58.000 -0.070 0.000 1.145 418 F CB 0.810 39.760 39.000 -0.083 0.000 1.440 418 F HN -0.066 nan 8.300 nan 0.000 0.580 419 P HA 0.191 nan 4.420 nan 0.000 0.263 419 P C 1.000 178.320 177.300 0.032 0.000 1.195 419 P CA 1.029 64.140 63.100 0.019 0.000 0.762 419 P CB 0.848 32.542 31.700 -0.011 0.000 0.799 420 G N 2.678 111.491 108.800 0.021 0.000 2.199 420 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.254 420 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.254 420 G C 0.319 175.228 174.900 0.015 0.000 0.982 420 G CA -0.036 45.072 45.100 0.013 0.000 0.632 420 G HN 0.595 nan 8.290 nan 0.000 0.529 421 D N 1.219 121.637 120.400 0.029 0.000 2.508 421 D HA 0.439 5.071 4.640 -0.013 0.000 0.224 421 D C 1.714 178.002 176.300 -0.019 0.000 1.171 421 D CA 0.191 54.193 54.000 0.003 0.000 1.006 421 D CB 0.531 41.331 40.800 0.001 0.000 1.073 421 D HN 0.101 nan 8.370 nan 0.000 0.513 422 V N 2.593 122.498 119.914 -0.015 0.000 2.427 422 V HA -0.193 3.919 4.120 -0.013 0.000 0.248 422 V C 2.005 178.086 176.094 -0.021 0.000 1.051 422 V CA 1.489 63.780 62.300 -0.015 0.000 1.048 422 V CB -0.283 31.536 31.823 -0.008 0.000 0.666 422 V HN 0.429 nan 8.190 nan 0.000 0.456 423 D N -0.064 120.321 120.400 -0.026 0.000 2.144 423 D HA -0.190 4.442 4.640 -0.013 0.000 0.200 423 D C 2.339 178.611 176.300 -0.047 0.000 0.978 423 D CA 1.120 55.104 54.000 -0.026 0.000 0.833 423 D CB -0.144 40.641 40.800 -0.025 0.000 0.961 423 D HN 0.247 nan 8.370 nan 0.000 0.470 424 R N -0.181 120.266 120.500 -0.088 0.000 2.091 424 R HA -0.108 4.224 4.340 -0.013 0.000 0.238 424 R C 2.362 178.587 176.300 -0.124 0.000 1.136 424 R CA 0.992 57.001 56.100 -0.152 0.000 0.959 424 R CB -0.300 29.850 30.300 -0.251 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.437 425 L N 0.157 121.334 121.223 -0.077 0.000 2.042 425 L HA -0.200 4.132 4.340 -0.013 0.000 0.210 425 L C 2.936 179.809 176.870 0.005 0.000 1.076 425 L CA 1.615 56.430 54.840 -0.042 0.000 0.749 425 L CB -0.534 41.512 42.059 -0.022 0.000 0.893 425 L HN 0.279 nan 8.230 nan 0.000 0.432 426 R N 0.368 120.876 120.500 0.013 0.000 2.073 426 R HA -0.150 4.182 4.340 -0.013 0.000 0.234 426 R C 2.486 178.836 176.300 0.084 0.000 1.134 426 R CA 1.414 57.544 56.100 0.049 0.000 0.952 426 R CB -0.060 30.262 30.300 0.037 0.000 0.850 426 R HN 0.306 nan 8.270 nan 0.000 0.433 427 R N -0.354 120.177 120.500 0.052 0.000 2.092 427 R HA -0.048 4.285 4.340 -0.013 0.000 0.231 427 R C 2.236 178.617 176.300 0.134 0.000 1.119 427 R CA 1.630 57.788 56.100 0.097 0.000 0.970 427 R CB -0.126 30.192 30.300 0.031 0.000 0.864 427 R HN 0.308 nan 8.270 nan 0.000 0.440 428 M N 0.195 119.783 119.600 -0.020 0.000 2.514 428 M HA 0.024 4.496 4.480 -0.013 0.000 0.258 428 M C 0.944 177.369 176.300 0.210 0.000 1.119 428 M CA 0.108 55.313 55.300 -0.158 0.000 1.111 428 M CB 0.299 32.653 32.600 -0.410 0.000 1.390 428 M HN -0.060 nan 8.290 nan 0.000 0.475 429 S N 0.814 116.670 115.700 0.260 0.000 2.558 429 S HA -0.008 4.454 4.470 -0.013 0.000 0.291 429 S C 0.989 175.861 174.600 0.454 0.000 1.306 429 S CA -0.380 58.011 58.200 0.318 0.000 1.056 429 S CB 0.587 63.917 63.200 0.216 0.000 0.836 429 S HN 0.212 nan 8.310 nan 0.000 0.504 430 L N 5.238 126.676 121.223 0.358 0.000 2.291 430 L HA 0.130 4.462 4.340 -0.013 0.000 0.214 430 L C 0.501 177.485 176.870 0.191 0.000 1.120 430 L CA 0.843 55.848 54.840 0.276 0.000 0.799 430 L CB -0.542 41.620 42.059 0.172 0.000 0.925 430 L HN 0.471 nan 8.230 nan 0.000 0.446 431 V N 0.252 120.291 119.914 0.208 0.000 2.383 431 V HA 0.194 4.306 4.120 -0.013 0.000 0.275 431 V C 0.210 176.393 176.094 0.148 0.000 1.036 431 V CA -0.878 61.528 62.300 0.177 0.000 0.889 431 V CB 1.129 33.086 31.823 0.222 0.000 0.985 431 V HN 0.163 nan 8.190 nan 0.000 0.459 432 E N 3.733 123.996 120.200 0.106 0.000 2.175 432 E HA 0.316 4.658 4.350 -0.013 0.000 0.278 432 E C -0.082 176.566 176.600 0.081 0.000 0.969 432 E CA -0.506 55.945 56.400 0.086 0.000 0.796 432 E CB 1.749 31.478 29.700 0.048 0.000 1.104 432 E HN 0.536 nan 8.360 nan 0.000 0.395 433 E N 1.848 122.094 120.200 0.076 0.000 2.474 433 E HA 0.066 4.408 4.350 -0.013 0.000 0.195 433 E C 0.917 177.553 176.600 0.060 0.000 1.039 433 E CA -0.135 56.306 56.400 0.069 0.000 0.881 433 E CB 0.485 30.221 29.700 0.061 0.000 0.970 433 E HN 0.669 nan 8.360 nan 0.000 0.486 434 G N 0.958 109.793 108.800 0.058 0.000 2.379 434 G HA2 0.037 3.989 3.960 -0.013 0.000 0.287 434 G HA3 0.037 3.989 3.960 -0.013 0.000 0.287 434 G C 1.230 176.164 174.900 0.057 0.000 1.422 434 G CA 0.447 45.579 45.100 0.053 0.000 1.081 434 G HN 0.206 nan 8.290 nan 0.000 0.569 435 A N -1.651 121.202 122.820 0.055 0.000 1.908 435 A HA 0.149 4.461 4.320 -0.013 0.000 0.218 435 A C 1.184 178.815 177.584 0.078 0.000 1.181 435 A CA 1.477 53.550 52.037 0.059 0.000 0.627 435 A CB -0.474 18.558 19.000 0.053 0.000 0.818 435 A HN 0.554 nan 8.150 nan 0.000 0.445 436 V N 0.772 120.737 119.914 0.086 0.000 2.370 436 V HA 0.244 4.356 4.120 -0.013 0.000 0.279 436 V C 0.124 176.269 176.094 0.086 0.000 1.029 436 V CA -0.705 61.660 62.300 0.109 0.000 0.870 436 V CB 1.236 33.136 31.823 0.127 0.000 0.984 436 V HN 0.449 nan 8.190 nan 0.000 0.451 437 K N 5.196 125.651 120.400 0.093 0.000 2.322 437 K HA 0.479 4.791 4.320 -0.013 0.000 0.283 437 K C -0.171 176.469 176.600 0.066 0.000 1.042 437 K CA -0.122 56.218 56.287 0.087 0.000 0.958 437 K CB 0.524 33.090 32.500 0.110 0.000 0.984 437 K HN 0.645 nan 8.250 nan 0.000 0.473 438 R N 3.303 123.842 120.500 0.066 0.000 2.771 438 R HA 0.445 4.777 4.340 -0.013 0.000 0.274 438 R C -0.873 175.459 176.300 0.053 0.000 0.987 438 R CA -1.044 55.086 56.100 0.050 0.000 0.908 438 R CB 1.257 31.578 30.300 0.034 0.000 1.213 438 R HN 0.434 nan 8.270 nan 0.000 0.468 439 I N 2.113 122.714 120.570 0.051 0.000 2.315 439 I HA 0.125 4.287 4.170 -0.013 0.000 0.291 439 I C 0.009 176.118 176.117 -0.014 0.000 1.006 439 I CA -0.665 60.655 61.300 0.034 0.000 1.265 439 I CB 0.872 38.887 38.000 0.024 0.000 1.387 439 I HN 0.502 nan 8.210 nan 0.000 0.475 440 N N 7.241 125.902 118.700 -0.065 0.000 2.402 440 N HA 0.072 4.805 4.740 -0.013 0.000 0.252 440 N C 0.824 176.243 175.510 -0.152 0.000 1.118 440 N CA -0.284 52.647 53.050 -0.198 0.000 0.945 440 N CB 0.930 39.142 38.487 -0.460 0.000 1.147 440 N HN 0.372 nan 8.380 nan 0.000 0.495 441 M N 2.530 122.041 119.600 -0.149 0.000 2.296 441 M HA -0.057 4.415 4.480 -0.013 0.000 0.265 441 M C 1.929 178.085 176.300 -0.240 0.000 1.064 441 M CA 0.698 55.924 55.300 -0.122 0.000 1.109 441 M CB -1.560 31.011 32.600 -0.048 0.000 1.396 441 M HN 0.612 nan 8.290 nan 0.000 0.430 442 A N -0.327 122.348 122.820 -0.243 0.000 1.902 442 A HA -0.180 4.132 4.320 -0.013 0.000 0.217 442 A C 1.998 179.361 177.584 -0.369 0.000 1.181 442 A CA 1.536 53.384 52.037 -0.314 0.000 0.623 442 A CB -1.153 17.866 19.000 0.032 0.000 0.818 442 A HN 0.594 nan 8.150 nan 0.000 0.443 443 H N -1.459 117.412 119.070 -0.333 0.000 2.353 443 H HA -0.118 4.430 4.556 -0.013 0.000 0.300 443 H C 2.119 177.245 175.328 -0.337 0.000 1.090 443 H CA 1.147 56.985 56.048 -0.350 0.000 1.327 443 H CB -0.062 29.721 29.762 0.034 0.000 1.383 443 H HN 0.439 nan 8.280 nan 0.000 0.508 444 L N 0.721 121.877 121.223 -0.112 0.000 2.012 444 L HA -0.184 4.148 4.340 -0.013 0.000 0.210 444 L C 2.345 179.084 176.870 -0.219 0.000 1.073 444 L CA 1.480 56.245 54.840 -0.126 0.000 0.748 444 L CB -0.823 41.193 42.059 -0.072 0.000 0.891 444 L HN 0.292 nan 8.230 nan 0.000 0.431 445 C N -0.288 118.778 119.300 -0.389 0.000 2.413 445 C HA -0.160 4.292 4.460 -0.013 0.000 0.276 445 C C 2.700 177.443 174.990 -0.411 0.000 1.236 445 C CA 1.151 59.854 59.018 -0.525 0.000 1.735 445 C CB -0.973 26.035 27.740 -1.220 0.000 2.031 445 C HN 0.632 nan 8.230 nan 0.000 0.474 446 I N 1.415 121.692 120.570 -0.488 0.000 2.179 446 I HA -0.196 3.966 4.170 -0.013 0.000 0.242 446 I C 2.767 178.738 176.117 -0.244 0.000 1.088 446 I CA 1.672 62.730 61.300 -0.403 0.000 1.357 446 I CB -0.659 36.929 38.000 -0.687 0.000 1.051 446 I HN 0.265 nan 8.210 nan 0.000 0.409 447 A N 0.711 123.329 122.820 -0.337 0.000 1.940 447 A HA -0.125 4.187 4.320 -0.013 0.000 0.219 447 A C 2.232 179.855 177.584 0.064 0.000 1.176 447 A CA 1.976 53.818 52.037 -0.325 0.000 0.631 447 A CB -1.222 17.358 19.000 -0.700 0.000 0.814 447 A HN 0.496 nan 8.150 nan 0.000 0.446 448 G N -1.322 107.467 108.800 -0.019 0.000 3.284 448 G HA2 0.411 4.363 3.960 -0.013 0.000 0.236 448 G HA3 0.411 4.363 3.960 -0.013 0.000 0.236 448 G C 0.102 174.848 174.900 -0.256 0.000 1.158 448 G CA 0.507 45.499 45.100 -0.180 0.000 0.774 448 G HN 0.348 nan 8.290 nan 0.000 0.545 449 S N -0.267 115.332 115.700 -0.168 0.000 2.513 449 S HA 0.313 4.775 4.470 -0.013 0.000 0.299 449 S C 0.770 175.312 174.600 -0.097 0.000 1.087 449 S CA -0.709 57.414 58.200 -0.129 0.000 1.012 449 S CB 1.299 64.427 63.200 -0.119 0.000 1.044 449 S HN 0.500 nan 8.310 nan 0.000 0.485 450 H N 0.215 119.239 119.070 -0.077 0.000 2.535 450 H HA 0.428 4.976 4.556 -0.013 0.000 0.273 450 H C 0.213 175.519 175.328 -0.037 0.000 0.983 450 H CA 0.385 56.407 56.048 -0.044 0.000 1.238 450 H CB 0.135 29.880 29.762 -0.027 0.000 1.412 450 H HN 0.506 nan 8.280 nan 0.000 0.562 451 A N 1.081 123.563 122.820 -0.564 0.000 2.449 451 A HA 0.575 4.887 4.320 -0.013 0.000 0.302 451 A C -1.312 176.063 177.584 -0.349 0.000 1.048 451 A CA -0.593 51.193 52.037 -0.419 0.000 0.708 451 A CB 2.367 21.090 19.000 -0.462 0.000 1.274 451 A HN 0.101 nan 8.150 nan 0.000 0.410 452 V N 4.035 123.706 119.914 -0.405 0.000 2.577 452 V HA 0.517 4.629 4.120 -0.013 0.000 0.303 452 V C -0.820 175.057 176.094 -0.361 0.000 1.042 452 V CA -0.796 61.235 62.300 -0.448 0.000 0.872 452 V CB 1.829 33.208 31.823 -0.740 0.000 0.998 452 V HN 1.016 nan 8.190 nan 0.000 0.423 453 N N 3.152 121.663 118.700 -0.315 0.000 2.240 453 N HA 0.595 5.327 4.740 -0.013 0.000 0.302 453 N C -0.224 175.162 175.510 -0.207 0.000 1.106 453 N CA -0.358 52.556 53.050 -0.227 0.000 0.778 453 N CB 2.856 41.193 38.487 -0.250 0.000 1.431 453 N HN 0.639 nan 8.380 nan 0.000 0.479 454 G N -0.644 108.072 108.800 -0.140 0.000 2.535 454 G HA2 0.411 4.363 3.960 -0.013 0.000 0.303 454 G HA3 0.411 4.363 3.960 -0.013 0.000 0.303 454 G C 0.783 175.730 174.900 0.078 0.000 1.237 454 G CA -0.425 44.642 45.100 -0.054 0.000 0.986 454 G HN 0.652 nan 8.290 nan 0.000 0.494 455 V N -3.882 116.201 119.914 0.282 0.000 3.427 455 V HA 0.702 4.814 4.120 -0.013 0.000 0.305 455 V C 0.566 176.739 176.094 0.132 0.000 1.412 455 V CA 0.448 62.831 62.300 0.139 0.000 1.086 455 V CB -0.712 31.151 31.823 0.066 0.000 0.964 455 V HN 1.301 nan 8.190 nan 0.000 0.439 456 A N -0.093 122.813 122.820 0.144 0.000 2.608 456 A HA 0.687 5.000 4.320 -0.013 0.000 0.292 456 A C 0.601 178.229 177.584 0.074 0.000 1.066 456 A CA -0.149 51.950 52.037 0.102 0.000 0.676 456 A CB 1.265 20.316 19.000 0.084 0.000 1.277 456 A HN 0.040 nan 8.150 nan 0.000 0.413 457 R N 0.472 120.996 120.500 0.040 0.000 2.096 457 R HA -0.149 4.183 4.340 -0.013 0.000 0.240 457 R C 1.791 178.085 176.300 -0.011 0.000 1.139 457 R CA 2.296 58.397 56.100 0.001 0.000 0.952 457 R CB -0.301 29.994 30.300 -0.007 0.000 0.854 457 R HN 0.793 nan 8.270 nan 0.000 0.436 458 I N 0.106 120.679 120.570 0.005 0.000 2.286 458 I HA -0.316 3.846 4.170 -0.013 0.000 0.248 458 I C 2.265 178.389 176.117 0.011 0.000 1.115 458 I CA 1.927 63.223 61.300 -0.006 0.000 1.392 458 I CB -0.184 37.811 38.000 -0.008 0.000 1.065 458 I HN 0.361 nan 8.210 nan 0.000 0.418 459 H N 0.190 119.226 119.070 -0.055 0.000 2.326 459 H HA -0.102 4.446 4.556 -0.013 0.000 0.301 459 H C 2.284 177.576 175.328 -0.061 0.000 1.081 459 H CA 2.168 58.179 56.048 -0.061 0.000 1.334 459 H CB -0.285 29.446 29.762 -0.052 0.000 1.385 459 H HN 0.243 nan 8.280 nan 0.000 0.504 460 S N 0.453 116.029 115.700 -0.206 0.000 2.399 460 S HA -0.126 4.336 4.470 -0.013 0.000 0.231 460 S C 1.880 176.359 174.600 -0.202 0.000 1.022 460 S CA 1.195 59.255 58.200 -0.235 0.000 0.983 460 S CB -0.073 63.058 63.200 -0.116 0.000 0.803 460 S HN 0.480 nan 8.310 nan 0.000 0.480 461 E N 1.329 121.430 120.200 -0.166 0.000 2.072 461 E HA -0.024 4.318 4.350 -0.013 0.000 0.191 461 E C 2.019 178.497 176.600 -0.203 0.000 0.985 461 E CA 0.767 57.058 56.400 -0.182 0.000 0.801 461 E CB -0.384 29.239 29.700 -0.127 0.000 0.750 461 E HN 0.560 nan 8.360 nan 0.000 0.452 462 I N 0.938 121.404 120.570 -0.172 0.000 2.394 462 I HA -0.228 3.934 4.170 -0.013 0.000 0.251 462 I C 2.438 178.426 176.117 -0.215 0.000 1.136 462 I CA 0.650 61.852 61.300 -0.164 0.000 1.425 462 I CB -0.381 37.554 38.000 -0.108 0.000 1.079 462 I HN 0.022 nan 8.210 nan 0.000 0.425 463 L N 0.873 121.939 121.223 -0.261 0.000 2.042 463 L HA -0.216 4.116 4.340 -0.013 0.000 0.210 463 L C 2.555 179.308 176.870 -0.196 0.000 1.076 463 L CA 1.719 56.432 54.840 -0.211 0.000 0.749 463 L CB -0.570 41.450 42.059 -0.065 0.000 0.893 463 L HN 0.242 nan 8.230 nan 0.000 0.432 464 K N -0.186 120.006 120.400 -0.347 0.000 2.228 464 K HA -0.102 4.210 4.320 -0.013 0.000 0.202 464 K C 2.069 178.426 176.600 -0.405 0.000 1.051 464 K CA 0.848 56.750 56.287 -0.642 0.000 0.960 464 K CB 0.076 31.891 32.500 -1.141 0.000 0.743 464 K HN 0.257 nan 8.250 nan 0.000 0.458 465 K N -0.130 120.104 120.400 -0.277 0.000 2.166 465 K HA -0.039 4.273 4.320 -0.013 0.000 0.201 465 K C 2.046 178.581 176.600 -0.108 0.000 1.052 465 K CA 1.615 57.803 56.287 -0.166 0.000 0.969 465 K CB 0.385 32.799 32.500 -0.143 0.000 0.761 465 K HN 0.254 nan 8.250 nan 0.000 0.459 466 T N -2.116 112.365 114.554 -0.123 0.000 3.409 466 T HA 0.094 4.436 4.350 -0.013 0.000 0.242 466 T C 1.830 176.466 174.700 -0.106 0.000 1.000 466 T CA -0.220 61.823 62.100 -0.096 0.000 1.180 466 T CB -0.526 68.285 68.868 -0.094 0.000 1.210 466 T HN -0.112 nan 8.240 nan 0.000 0.373 467 I N 1.167 121.611 120.570 -0.211 0.000 2.118 467 I HA 0.048 4.210 4.170 -0.013 0.000 0.241 467 I C 1.307 177.238 176.117 -0.311 0.000 1.070 467 I CA 1.754 62.826 61.300 -0.379 0.000 1.327 467 I CB -0.400 37.185 38.000 -0.693 0.000 1.034 467 I HN 0.295 nan 8.210 nan 0.000 0.405 468 F N -0.071 119.939 119.950 0.100 0.000 2.855 468 F HA 0.270 4.789 4.527 -0.013 0.000 0.317 468 F C 1.757 177.626 175.800 0.114 0.000 1.169 468 F CA -0.433 57.709 58.000 0.237 0.000 1.299 468 F CB 0.004 39.176 39.000 0.287 0.000 0.962 468 F HN -0.138 nan 8.300 nan 0.000 0.506 469 K N 0.909 121.395 120.400 0.144 0.000 2.074 469 K HA -0.211 4.101 4.320 -0.013 0.000 0.209 469 K C 1.324 177.963 176.600 0.065 0.000 1.048 469 K CA 2.161 58.485 56.287 0.060 0.000 0.926 469 K CB 0.031 32.536 32.500 0.007 0.000 0.713 469 K HN 0.197 nan 8.250 nan 0.000 0.444 470 D N -0.113 120.306 120.400 0.031 0.000 2.117 470 D HA -0.163 4.469 4.640 -0.013 0.000 0.197 470 D C 1.794 178.016 176.300 -0.131 0.000 0.987 470 D CA 1.238 55.138 54.000 -0.167 0.000 0.829 470 D CB -0.304 40.314 40.800 -0.304 0.000 0.961 470 D HN 0.238 nan 8.370 nan 0.000 0.460 471 F N -0.164 119.868 119.950 0.136 0.000 2.186 471 F HA -0.139 4.380 4.527 -0.013 0.000 0.299 471 F C 2.340 178.298 175.800 0.262 0.000 1.090 471 F CA 0.517 58.691 58.000 0.290 0.000 1.307 471 F CB -0.633 38.638 39.000 0.452 0.000 1.019 471 F HN -0.035 nan 8.300 nan 0.000 0.489 472 Y N 1.349 121.592 120.300 -0.094 0.000 2.181 472 Y HA -0.193 4.349 4.550 -0.013 0.000 0.288 472 Y C 2.118 178.008 175.900 -0.015 0.000 1.146 472 Y CA 1.639 59.520 58.100 -0.365 0.000 1.164 472 Y CB -0.632 37.441 38.460 -0.645 0.000 0.982 472 Y HN 0.129 nan 8.280 nan 0.000 0.515 473 E N -0.347 119.795 120.200 -0.098 0.000 2.106 473 E HA -0.193 4.149 4.350 -0.013 0.000 0.192 473 E C 2.014 178.696 176.600 0.136 0.000 0.984 473 E CA 1.188 57.547 56.400 -0.069 0.000 0.806 473 E CB -0.278 29.408 29.700 -0.024 0.000 0.750 473 E HN 0.437 nan 8.360 nan 0.000 0.458 474 L N 0.969 122.318 121.223 0.210 0.000 2.044 474 L HA -0.072 4.260 4.340 -0.013 0.000 0.205 474 L C 0.235 177.219 176.870 0.191 0.000 1.075 474 L CA 1.728 56.735 54.840 0.279 0.000 0.747 474 L CB 0.340 42.550 42.059 0.252 0.000 0.903 474 L HN -0.098 nan 8.230 nan 0.000 0.435 475 E N -0.302 120.046 120.200 0.247 0.000 3.132 475 E HA 0.180 4.522 4.350 -0.013 0.000 0.241 475 E C -2.003 174.776 176.600 0.300 0.000 1.196 475 E CA -1.245 55.320 56.400 0.275 0.000 0.869 475 E CB 0.871 30.782 29.700 0.352 0.000 1.387 475 E HN 0.204 nan 8.360 nan 0.000 0.393 476 P HA -0.195 nan 4.420 nan 0.000 0.218 476 P C 0.966 178.365 177.300 0.166 0.000 1.149 476 P CA 1.169 64.187 63.100 -0.136 0.000 0.817 476 P CB 0.250 31.651 31.700 -0.500 0.000 0.785 477 H N -0.132 119.044 119.070 0.177 0.000 2.491 477 H HA -0.018 4.530 4.556 -0.013 0.000 0.290 477 H C 2.084 177.511 175.328 0.165 0.000 1.050 477 H CA 1.123 57.266 56.048 0.158 0.000 1.309 477 H CB -0.044 29.778 29.762 0.101 0.000 1.392 477 H HN 0.226 nan 8.280 nan 0.000 0.554 478 K N 0.302 120.877 120.400 0.292 0.000 2.148 478 K HA -0.065 4.247 4.320 -0.013 0.000 0.204 478 K C -0.099 176.467 176.600 -0.057 0.000 1.050 478 K CA 0.391 56.727 56.287 0.083 0.000 0.942 478 K CB 0.115 32.618 32.500 0.005 0.000 0.724 478 K HN -0.044 nan 8.250 nan 0.000 0.446 479 F N 1.730 121.762 119.950 0.137 0.000 2.424 479 F HA 0.221 4.740 4.527 -0.013 0.000 0.356 479 F C 0.294 176.099 175.800 0.009 0.000 1.110 479 F CA -0.218 57.833 58.000 0.086 0.000 1.161 479 F CB 1.247 40.351 39.000 0.174 0.000 1.115 479 F HN -0.007 nan 8.300 nan 0.000 0.507 480 Q N 1.955 121.779 119.800 0.039 0.000 2.528 480 Q HA 0.340 4.673 4.340 -0.013 0.000 0.289 480 Q C -1.126 174.824 176.000 -0.083 0.000 1.091 480 Q CA -1.235 54.541 55.803 -0.044 0.000 0.797 480 Q CB 3.102 31.761 28.738 -0.132 0.000 1.466 480 Q HN 0.609 nan 8.270 nan 0.000 0.436 481 N N 0.787 119.421 118.700 -0.109 0.000 2.321 481 N HA 0.253 4.985 4.740 -0.013 0.000 0.299 481 N C -1.369 174.033 175.510 -0.180 0.000 1.048 481 N CA -0.382 52.599 53.050 -0.115 0.000 0.836 481 N CB 0.941 39.383 38.487 -0.076 0.000 1.269 481 N HN 0.272 nan 8.380 nan 0.000 0.486 482 K N 2.823 123.118 120.400 -0.175 0.000 2.701 482 K HA 0.179 4.491 4.320 -0.013 0.000 0.212 482 K C -0.875 175.726 176.600 0.003 0.000 1.035 482 K CA -0.482 55.679 56.287 -0.210 0.000 1.048 482 K CB 1.148 33.297 32.500 -0.585 0.000 1.234 482 K HN 0.543 nan 8.250 nan 0.000 0.540 483 T N 2.092 116.662 114.554 0.027 0.000 2.908 483 T HA 0.021 4.363 4.350 -0.013 0.000 0.301 483 T C 0.785 175.606 174.700 0.201 0.000 1.019 483 T CA 0.493 62.660 62.100 0.113 0.000 1.152 483 T CB 0.229 69.161 68.868 0.106 0.000 0.966 483 T HN 0.363 nan 8.240 nan 0.000 0.540 484 N N 0.571 119.415 118.700 0.240 0.000 2.297 484 N HA 0.416 5.148 4.740 -0.013 0.000 0.232 484 N C 0.463 176.160 175.510 0.312 0.000 1.311 484 N CA -0.199 53.028 53.050 0.295 0.000 0.897 484 N CB 0.407 39.010 38.487 0.193 0.000 1.137 484 N HN 0.752 nan 8.380 nan 0.000 0.449 485 G N -0.601 108.393 108.800 0.324 0.000 2.682 485 G HA2 0.615 4.567 3.960 -0.013 0.000 0.290 485 G HA3 0.615 4.567 3.960 -0.013 0.000 0.290 485 G C -1.423 173.612 174.900 0.225 0.000 1.425 485 G CA -0.732 44.543 45.100 0.292 0.000 0.807 485 G HN 0.598 nan 8.290 nan 0.000 0.482 486 I N -2.331 118.357 120.570 0.196 0.000 2.828 486 I HA 0.729 4.891 4.170 -0.013 0.000 0.302 486 I C -0.207 176.074 176.117 0.273 0.000 1.101 486 I CA -0.943 60.464 61.300 0.178 0.000 1.031 486 I CB 2.463 40.441 38.000 -0.035 0.000 1.231 486 I HN 0.475 nan 8.210 nan 0.000 0.427 487 T N 4.600 119.377 114.554 0.373 0.000 2.814 487 T HA 0.346 4.688 4.350 -0.013 0.000 0.297 487 T C -1.461 173.371 174.700 0.220 0.000 0.956 487 T CA -1.521 60.722 62.100 0.238 0.000 1.123 487 T CB 0.714 69.665 68.868 0.138 0.000 0.902 487 T HN 0.634 nan 8.240 nan 0.000 0.528 488 P HA 0.080 nan 4.420 nan 0.000 0.242 488 P C 1.004 178.278 177.300 -0.043 0.000 1.197 488 P CA 0.210 63.358 63.100 0.080 0.000 0.765 488 P CB 0.374 32.111 31.700 0.061 0.000 0.936 489 R N 0.568 120.998 120.500 -0.117 0.000 2.065 489 R HA 0.030 4.362 4.340 -0.013 0.000 0.224 489 R C 2.645 178.830 176.300 -0.192 0.000 1.161 489 R CA 1.481 57.468 56.100 -0.189 0.000 0.923 489 R CB -1.394 28.800 30.300 -0.177 0.000 0.822 489 R HN 0.001 nan 8.270 nan 0.000 0.437 490 R N -0.664 119.668 120.500 -0.281 0.000 2.103 490 R HA -0.164 4.168 4.340 -0.013 0.000 0.242 490 R C 1.247 177.190 176.300 -0.596 0.000 1.142 490 R CA 1.988 57.754 56.100 -0.557 0.000 0.960 490 R CB -0.243 29.537 30.300 -0.867 0.000 0.858 490 R HN 0.326 nan 8.270 nan 0.000 0.439 491 W N -0.698 120.562 121.300 -0.066 0.000 3.353 491 W HA 0.159 4.810 4.660 -0.014 0.000 0.304 491 W C 1.044 177.536 176.519 -0.045 0.000 1.273 491 W CA -0.691 56.614 57.345 -0.065 0.000 1.773 491 W CB 0.418 29.845 29.460 -0.054 0.000 1.095 491 W HN 0.231 nan 8.180 nan 0.000 0.676 492 L N -2.313 118.966 121.223 0.093 0.000 2.511 492 L HA 0.203 4.535 4.340 -0.013 0.000 0.173 492 L C 1.714 178.599 176.870 0.025 0.000 1.160 492 L CA 0.799 55.688 54.840 0.082 0.000 0.964 492 L CB -0.823 41.314 42.059 0.131 0.000 1.892 492 L HN -0.251 nan 8.230 nan 0.000 0.497 493 V N 1.551 121.455 119.914 -0.017 0.000 2.343 493 V HA -0.246 3.866 4.120 -0.013 0.000 0.247 493 V C 2.480 178.544 176.094 -0.050 0.000 1.051 493 V CA 2.328 64.608 62.300 -0.034 0.000 1.036 493 V CB -0.641 31.126 31.823 -0.094 0.000 0.654 493 V HN 0.385 nan 8.190 nan 0.000 0.451 494 L N 0.519 121.682 121.223 -0.100 0.000 2.007 494 L HA -0.138 4.194 4.340 -0.013 0.000 0.205 494 L C 2.797 179.603 176.870 -0.108 0.000 1.073 494 L CA 1.962 56.729 54.840 -0.122 0.000 0.744 494 L CB -1.248 40.689 42.059 -0.205 0.000 0.898 494 L HN 0.604 nan 8.230 nan 0.000 0.435 495 C N -1.835 117.390 119.300 -0.125 0.000 2.468 495 C HA 0.088 4.540 4.460 -0.013 0.000 0.277 495 C C 1.324 176.293 174.990 -0.035 0.000 1.400 495 C CA -0.061 58.901 59.018 -0.094 0.000 1.770 495 C CB -0.929 26.751 27.740 -0.099 0.000 1.905 495 C HN 0.532 nan 8.230 nan 0.000 0.519 496 N N 1.022 119.713 118.700 -0.014 0.000 2.703 496 N HA 0.282 5.014 4.740 -0.013 0.000 0.283 496 N C -1.792 173.727 175.510 0.015 0.000 1.851 496 N CA -1.591 51.463 53.050 0.007 0.000 0.826 496 N CB 0.700 39.200 38.487 0.021 0.000 1.239 496 N HN 0.252 nan 8.380 nan 0.000 0.495 497 P HA -0.034 nan 4.420 nan 0.000 0.218 497 P C 1.403 178.717 177.300 0.024 0.000 1.149 497 P CA 0.870 63.980 63.100 0.017 0.000 0.817 497 P CB 0.231 31.933 31.700 0.005 0.000 0.785 498 G N 0.628 109.436 108.800 0.014 0.000 2.440 498 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.218 498 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.218 498 G C 1.513 176.417 174.900 0.007 0.000 1.154 498 G CA 0.644 45.748 45.100 0.007 0.000 0.767 498 G HN 0.244 nan 8.290 nan 0.000 0.552 499 L N 1.235 122.463 121.223 0.010 0.000 2.072 499 L HA 0.297 4.630 4.340 -0.013 0.000 0.205 499 L C 3.066 179.960 176.870 0.041 0.000 1.079 499 L CA 1.926 56.771 54.840 0.007 0.000 0.752 499 L CB -0.795 41.268 42.059 0.007 0.000 0.906 499 L HN 0.225 nan 8.230 nan 0.000 0.436 500 A N -0.726 122.141 122.820 0.079 0.000 1.940 500 A HA -0.272 4.040 4.320 -0.013 0.000 0.219 500 A C 2.250 179.930 177.584 0.159 0.000 1.176 500 A CA 1.929 54.066 52.037 0.167 0.000 0.631 500 A CB -0.658 18.435 19.000 0.155 0.000 0.814 500 A HN 0.547 nan 8.150 nan 0.000 0.446 501 E N 0.511 120.765 120.200 0.091 0.000 2.046 501 E HA -0.136 4.206 4.350 -0.013 0.000 0.190 501 E C 1.823 178.461 176.600 0.064 0.000 0.982 501 E CA 1.482 57.926 56.400 0.074 0.000 0.800 501 E CB -0.503 29.222 29.700 0.043 0.000 0.756 501 E HN 0.744 nan 8.360 nan 0.000 0.449 502 I N -1.683 118.919 120.570 0.052 0.000 2.493 502 I HA -0.123 4.040 4.170 -0.013 0.000 0.254 502 I C 2.106 178.299 176.117 0.127 0.000 1.160 502 I CA 1.037 62.383 61.300 0.078 0.000 1.445 502 I CB -0.321 37.703 38.000 0.038 0.000 1.086 502 I HN 0.015 nan 8.210 nan 0.000 0.433 503 I N 1.918 122.528 120.570 0.068 0.000 2.163 503 I HA -0.188 3.974 4.170 -0.013 0.000 0.240 503 I C 3.004 179.060 176.117 -0.102 0.000 1.081 503 I CA 1.359 62.607 61.300 -0.087 0.000 1.353 503 I CB -0.515 37.292 38.000 -0.321 0.000 1.054 503 I HN 0.297 nan 8.210 nan 0.000 0.407 504 A N 0.406 123.267 122.820 0.069 0.000 1.972 504 A HA -0.234 4.078 4.320 -0.013 0.000 0.219 504 A C 2.152 179.773 177.584 0.062 0.000 1.169 504 A CA 1.651 53.790 52.037 0.171 0.000 0.635 504 A CB -0.642 18.494 19.000 0.227 0.000 0.810 504 A HN 0.459 nan 8.150 nan 0.000 0.446 505 E N -0.860 119.356 120.200 0.027 0.000 2.209 505 E HA -0.204 4.138 4.350 -0.013 0.000 0.196 505 E C 2.086 178.659 176.600 -0.044 0.000 0.993 505 E CA 1.033 57.435 56.400 0.002 0.000 0.819 505 E CB -0.024 29.682 29.700 0.010 0.000 0.745 505 E HN 0.416 nan 8.360 nan 0.000 0.477 506 R N -0.071 120.351 120.500 -0.130 0.000 2.123 506 R HA 0.116 4.448 4.340 -0.013 0.000 0.209 506 R C 2.218 178.462 176.300 -0.093 0.000 1.078 506 R CA 0.712 56.679 56.100 -0.222 0.000 1.028 506 R CB -0.227 29.638 30.300 -0.726 0.000 0.939 506 R HN 0.310 nan 8.270 nan 0.000 0.463 507 I N -3.055 117.470 120.570 -0.076 0.000 4.147 507 I HA 0.464 4.626 4.170 -0.013 0.000 0.329 507 I C 0.456 176.622 176.117 0.081 0.000 1.424 507 I CA 0.069 61.371 61.300 0.003 0.000 1.127 507 I CB 0.757 38.740 38.000 -0.029 0.000 1.128 507 I HN 0.159 nan 8.210 nan 0.000 0.417 508 G N 2.191 111.047 108.800 0.093 0.000 2.693 508 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.226 508 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.226 508 G C 0.033 175.062 174.900 0.215 0.000 1.354 508 G CA 0.337 45.508 45.100 0.120 0.000 0.873 508 G HN 0.498 nan 8.290 nan 0.000 0.562 509 E N -0.088 120.185 120.200 0.121 0.000 2.476 509 E HA 0.119 4.461 4.350 -0.013 0.000 0.199 509 E C 2.024 178.558 176.600 -0.109 0.000 1.021 509 E CA 0.362 56.768 56.400 0.009 0.000 0.907 509 E CB 0.288 29.991 29.700 0.005 0.000 0.974 509 E HN 0.638 nan 8.360 nan 0.000 0.489 510 E N 0.418 120.632 120.200 0.022 0.000 2.160 510 E HA -0.232 4.110 4.350 -0.013 0.000 0.195 510 E C 1.706 178.292 176.600 -0.023 0.000 0.991 510 E CA 1.288 57.695 56.400 0.012 0.000 0.810 510 E CB -0.222 29.511 29.700 0.056 0.000 0.742 510 E HN 0.494 nan 8.360 nan 0.000 0.466 511 Y N -0.295 120.009 120.300 0.007 0.000 2.315 511 Y HA -0.160 4.383 4.550 -0.012 0.000 0.288 511 Y C 1.800 177.679 175.900 -0.035 0.000 1.154 511 Y CA 0.780 58.877 58.100 -0.006 0.000 1.229 511 Y CB -0.633 37.825 38.460 -0.002 0.000 0.980 511 Y HN -0.048 nan 8.280 nan 0.000 0.540 512 I N 0.940 121.015 120.570 -0.825 0.000 2.423 512 I HA -0.246 3.916 4.170 -0.013 0.000 0.254 512 I C 1.536 177.403 176.117 -0.416 0.000 1.151 512 I CA 1.856 62.716 61.300 -0.733 0.000 1.421 512 I CB -0.400 37.068 38.000 -0.887 0.000 1.079 512 I HN 0.498 nan 8.210 nan 0.000 0.431 513 S N -2.115 113.449 115.700 -0.226 0.000 2.855 513 S HA 0.216 4.678 4.470 -0.013 0.000 0.249 513 S C 0.031 174.619 174.600 -0.019 0.000 1.033 513 S CA -0.557 57.589 58.200 -0.090 0.000 1.038 513 S CB 0.331 63.531 63.200 -0.000 0.000 0.960 513 S HN 0.277 nan 8.310 nan 0.000 0.548 514 D N 0.732 121.129 120.400 -0.005 0.000 3.118 514 D HA 0.233 4.866 4.640 -0.013 0.000 0.286 514 D C 0.428 176.773 176.300 0.075 0.000 1.255 514 D CA -0.360 53.660 54.000 0.034 0.000 0.748 514 D CB 0.318 41.140 40.800 0.038 0.000 1.332 514 D HN 0.140 nan 8.370 nan 0.000 0.575 515 L N 0.836 122.105 121.223 0.077 0.000 2.265 515 L HA -0.005 4.327 4.340 -0.013 0.000 0.215 515 L C 1.412 178.338 176.870 0.092 0.000 1.117 515 L CA 1.562 56.477 54.840 0.125 0.000 0.782 515 L CB -0.068 42.059 42.059 0.113 0.000 0.914 515 L HN 0.232 nan 8.230 nan 0.000 0.441 516 D N -0.732 119.698 120.400 0.050 0.000 2.265 516 D HA -0.217 4.416 4.640 -0.013 0.000 0.208 516 D C 1.875 178.198 176.300 0.038 0.000 0.977 516 D CA 0.804 54.819 54.000 0.025 0.000 0.871 516 D CB 0.047 40.848 40.800 0.002 0.000 0.925 516 D HN 0.566 nan 8.370 nan 0.000 0.485 517 Q N -0.003 119.836 119.800 0.065 0.000 2.364 517 Q HA -0.042 4.290 4.340 -0.013 0.000 0.209 517 Q C 2.286 178.308 176.000 0.037 0.000 0.977 517 Q CA 0.222 56.065 55.803 0.066 0.000 0.885 517 Q CB 0.036 28.841 28.738 0.111 0.000 0.941 517 Q HN 0.398 nan 8.270 nan 0.000 0.464 518 L N 0.138 121.378 121.223 0.028 0.000 2.261 518 L HA -0.192 4.140 4.340 -0.013 0.000 0.216 518 L C 2.228 179.098 176.870 0.000 0.000 1.114 518 L CA 0.930 55.755 54.840 -0.025 0.000 0.777 518 L CB -0.366 41.692 42.059 -0.002 0.000 0.910 518 L HN 0.214 nan 8.230 nan 0.000 0.440 519 R N 0.362 120.873 120.500 0.017 0.000 2.159 519 R HA -0.181 4.151 4.340 -0.013 0.000 0.237 519 R C 2.105 178.414 176.300 0.015 0.000 1.131 519 R CA 1.043 57.154 56.100 0.019 0.000 0.982 519 R CB -0.225 30.083 30.300 0.013 0.000 0.868 519 R HN 0.411 nan 8.270 nan 0.000 0.453 520 K N 0.624 121.031 120.400 0.013 0.000 2.211 520 K HA -0.120 4.192 4.320 -0.013 0.000 0.204 520 K C 1.852 178.491 176.600 0.065 0.000 1.047 520 K CA 0.998 57.299 56.287 0.024 0.000 0.935 520 K CB -0.120 32.400 32.500 0.032 0.000 0.728 520 K HN 0.212 nan 8.250 nan 0.000 0.452 521 L N 0.825 122.072 121.223 0.038 0.000 2.362 521 L HA -0.110 4.222 4.340 -0.013 0.000 0.219 521 L C 1.954 178.894 176.870 0.117 0.000 1.134 521 L CA 0.465 55.340 54.840 0.058 0.000 0.807 521 L CB -0.377 41.663 42.059 -0.031 0.000 0.927 521 L HN 0.186 nan 8.230 nan 0.000 0.447 522 L N -0.834 120.426 121.223 0.061 0.000 2.191 522 L HA -0.172 4.160 4.340 -0.013 0.000 0.212 522 L C 2.471 179.333 176.870 -0.014 0.000 1.103 522 L CA 0.773 55.635 54.840 0.037 0.000 0.769 522 L CB -0.394 41.675 42.059 0.016 0.000 0.908 522 L HN 0.214 nan 8.230 nan 0.000 0.438 523 S N -1.255 114.391 115.700 -0.089 0.000 2.507 523 S HA -0.120 4.342 4.470 -0.013 0.000 0.235 523 S C 1.046 175.386 174.600 -0.434 0.000 0.988 523 S CA 0.888 58.915 58.200 -0.288 0.000 0.944 523 S CB -0.185 62.752 63.200 -0.437 0.000 0.762 523 S HN 0.433 nan 8.310 nan 0.000 0.526 524 Y N 0.063 120.303 120.300 -0.101 0.000 2.555 524 Y HA 0.215 4.762 4.550 -0.003 0.000 0.259 524 Y C 1.808 177.754 175.900 0.077 0.000 1.179 524 Y CA -0.541 57.515 58.100 -0.074 0.000 1.230 524 Y CB -0.232 38.021 38.460 -0.345 0.000 1.146 524 Y HN 0.160 nan 8.280 nan 0.000 0.526 525 V N -2.689 117.314 119.914 0.148 0.000 2.720 525 V HA -0.187 3.925 4.120 -0.013 0.000 0.256 525 V C 0.808 176.966 176.094 0.106 0.000 1.082 525 V CA 2.074 64.454 62.300 0.133 0.000 1.101 525 V CB -0.060 31.805 31.823 0.070 0.000 0.693 525 V HN 0.260 nan 8.190 nan 0.000 0.479 526 D N -0.544 119.905 120.400 0.080 0.000 2.431 526 D HA 0.142 4.774 4.640 -0.013 0.000 0.213 526 D C 0.339 176.688 176.300 0.081 0.000 1.130 526 D CA 0.073 54.109 54.000 0.060 0.000 0.834 526 D CB 0.188 41.001 40.800 0.022 0.000 0.985 526 D HN 0.551 nan 8.370 nan 0.000 0.504 527 D N 1.968 122.453 120.400 0.142 0.000 2.338 527 D HA -0.023 4.609 4.640 -0.013 0.000 0.255 527 D C 1.101 177.508 176.300 0.179 0.000 1.237 527 D CA 0.020 54.129 54.000 0.181 0.000 0.883 527 D CB 1.277 42.274 40.800 0.329 0.000 1.087 527 D HN -0.116 nan 8.370 nan 0.000 0.485 528 E N 3.062 123.331 120.200 0.115 0.000 2.085 528 E HA -0.188 4.154 4.350 -0.013 0.000 0.194 528 E C 1.746 178.400 176.600 0.090 0.000 0.994 528 E CA 0.903 57.354 56.400 0.084 0.000 0.801 528 E CB -0.207 29.525 29.700 0.054 0.000 0.743 528 E HN 0.647 nan 8.360 nan 0.000 0.453 529 A N 0.610 123.500 122.820 0.116 0.000 1.873 529 A HA -0.146 4.166 4.320 -0.013 0.000 0.215 529 A C 2.142 179.806 177.584 0.134 0.000 1.186 529 A CA 1.165 53.266 52.037 0.107 0.000 0.616 529 A CB -0.880 18.187 19.000 0.112 0.000 0.823 529 A HN 0.275 nan 8.150 nan 0.000 0.442 530 F N 0.321 120.283 119.950 0.020 0.000 2.146 530 F HA -0.119 4.400 4.527 -0.012 0.000 0.298 530 F C 2.058 177.857 175.800 -0.002 0.000 1.096 530 F CA 1.518 59.508 58.000 -0.017 0.000 1.275 530 F CB -0.102 38.887 39.000 -0.019 0.000 1.008 530 F HN 0.155 nan 8.300 nan 0.000 0.480 531 I N 0.277 120.875 120.570 0.048 0.000 2.151 531 I HA -0.373 3.789 4.170 -0.013 0.000 0.243 531 I C 2.683 178.744 176.117 -0.092 0.000 1.080 531 I CA 1.675 62.950 61.300 -0.041 0.000 1.339 531 I CB -0.582 37.439 38.000 0.035 0.000 1.039 531 I HN 0.137 nan 8.210 nan 0.000 0.409 532 R N 0.957 121.427 120.500 -0.050 0.000 2.073 532 R HA -0.210 4.122 4.340 -0.013 0.000 0.234 532 R C 1.810 178.052 176.300 -0.096 0.000 1.134 532 R CA 2.220 58.287 56.100 -0.054 0.000 0.952 532 R CB -0.263 30.025 30.300 -0.020 0.000 0.850 532 R HN 0.300 nan 8.270 nan 0.000 0.433 533 D N 0.037 120.359 120.400 -0.130 0.000 2.144 533 D HA -0.103 4.529 4.640 -0.013 0.000 0.200 533 D C 2.008 178.165 176.300 -0.239 0.000 0.978 533 D CA 1.013 54.918 54.000 -0.158 0.000 0.833 533 D CB -0.146 40.575 40.800 -0.130 0.000 0.961 533 D HN 0.087 nan 8.370 nan 0.000 0.470 534 V N 1.414 121.089 119.914 -0.398 0.000 2.295 534 V HA -0.250 3.862 4.120 -0.013 0.000 0.246 534 V C 2.512 178.502 176.094 -0.174 0.000 1.049 534 V CA 1.928 64.011 62.300 -0.363 0.000 1.024 534 V CB -0.789 30.748 31.823 -0.475 0.000 0.648 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.325 122.415 122.820 -0.133 0.000 1.930 535 A HA -0.247 4.065 4.320 -0.013 0.000 0.217 535 A C 2.340 179.879 177.584 -0.076 0.000 1.175 535 A CA 2.080 54.071 52.037 -0.077 0.000 0.627 535 A CB -0.476 18.483 19.000 -0.067 0.000 0.815 535 A HN 0.551 nan 8.150 nan 0.000 0.443 536 K N -0.167 120.185 120.400 -0.081 0.000 2.026 536 K HA -0.107 4.205 4.320 -0.013 0.000 0.208 536 K C 1.795 178.361 176.600 -0.055 0.000 1.048 536 K CA 1.720 57.970 56.287 -0.062 0.000 0.929 536 K CB -0.307 32.159 32.500 -0.056 0.000 0.713 536 K HN 0.202 nan 8.250 nan 0.000 0.439 537 V N 1.714 121.588 119.914 -0.066 0.000 2.343 537 V HA -0.244 3.868 4.120 -0.013 0.000 0.247 537 V C 2.425 178.498 176.094 -0.035 0.000 1.051 537 V CA 2.073 64.344 62.300 -0.049 0.000 1.036 537 V CB -0.506 31.280 31.823 -0.061 0.000 0.654 537 V HN 0.377 nan 8.190 nan 0.000 0.451 538 K N 0.509 120.885 120.400 -0.040 0.000 2.032 538 K HA -0.239 4.073 4.320 -0.013 0.000 0.209 538 K C 2.170 178.738 176.600 -0.053 0.000 1.048 538 K CA 1.899 58.169 56.287 -0.028 0.000 0.927 538 K CB -0.545 31.952 32.500 -0.004 0.000 0.712 538 K HN 0.401 nan 8.250 nan 0.000 0.441 539 Q N 1.007 120.768 119.800 -0.065 0.000 2.084 539 Q HA -0.127 4.205 4.340 -0.013 0.000 0.202 539 Q C 1.682 177.658 176.000 -0.041 0.000 0.978 539 Q CA 2.039 57.795 55.803 -0.077 0.000 0.844 539 Q CB -0.127 28.570 28.738 -0.070 0.000 0.898 539 Q HN 0.524 nan 8.270 nan 0.000 0.426 540 E N -0.452 119.735 120.200 -0.021 0.000 2.077 540 E HA -0.175 4.167 4.350 -0.013 0.000 0.193 540 E C 1.754 178.373 176.600 0.031 0.000 0.989 540 E CA 1.128 57.531 56.400 0.005 0.000 0.800 540 E CB -0.095 29.605 29.700 0.001 0.000 0.746 540 E HN 0.422 nan 8.360 nan 0.000 0.452 541 N N 0.865 119.581 118.700 0.027 0.000 2.188 541 N HA -0.124 4.609 4.740 -0.013 0.000 0.184 541 N C 1.469 177.055 175.510 0.126 0.000 1.018 541 N CA 1.013 54.101 53.050 0.063 0.000 0.858 541 N CB -0.079 38.431 38.487 0.039 0.000 0.989 541 N HN 0.128 nan 8.380 nan 0.000 0.426 542 K N 0.574 121.011 120.400 0.061 0.000 2.097 542 K HA 0.052 4.364 4.320 -0.013 0.000 0.205 542 K C 2.062 178.786 176.600 0.207 0.000 1.050 542 K CA 0.581 56.922 56.287 0.090 0.000 0.938 542 K CB -0.111 32.171 32.500 -0.364 0.000 0.718 542 K HN 0.108 nan 8.250 nan 0.000 0.442 543 L N 1.109 122.394 121.223 0.104 0.000 2.046 543 L HA -0.200 4.132 4.340 -0.013 0.000 0.208 543 L C 2.605 179.562 176.870 0.145 0.000 1.077 543 L CA 1.310 56.216 54.840 0.110 0.000 0.747 543 L CB -0.342 41.753 42.059 0.060 0.000 0.896 543 L HN 0.180 nan 8.230 nan 0.000 0.432 544 K N -0.176 120.316 120.400 0.154 0.000 2.057 544 K HA -0.231 4.081 4.320 -0.013 0.000 0.207 544 K C 2.182 178.927 176.600 0.241 0.000 1.049 544 K CA 1.523 57.909 56.287 0.165 0.000 0.931 544 K CB -0.164 32.419 32.500 0.137 0.000 0.714 544 K HN 0.059 nan 8.250 nan 0.000 0.440 545 F N 1.220 121.265 119.950 0.158 0.000 2.146 545 F HA -0.076 4.443 4.527 -0.013 0.000 0.298 545 F C 2.004 177.941 175.800 0.229 0.000 1.096 545 F CA 1.258 59.376 58.000 0.197 0.000 1.275 545 F CB -0.497 38.620 39.000 0.195 0.000 1.008 545 F HN 0.093 nan 8.300 nan 0.000 0.480 546 A N 0.345 123.290 122.820 0.207 0.000 1.908 546 A HA -0.127 4.185 4.320 -0.013 0.000 0.218 546 A C 2.418 180.000 177.584 -0.002 0.000 1.181 546 A CA 1.940 54.013 52.037 0.060 0.000 0.627 546 A CB -1.562 17.521 19.000 0.139 0.000 0.818 546 A HN 0.467 nan 8.150 nan 0.000 0.445 547 A N -1.695 121.160 122.820 0.058 0.000 1.972 547 A HA -0.084 4.228 4.320 -0.013 0.000 0.219 547 A C 2.103 179.703 177.584 0.027 0.000 1.169 547 A CA 1.573 53.639 52.037 0.048 0.000 0.635 547 A CB -0.749 18.296 19.000 0.074 0.000 0.810 547 A HN 0.781 nan 8.150 nan 0.000 0.446 548 Y N 0.452 120.692 120.300 -0.100 0.000 2.145 548 Y HA -0.156 4.386 4.550 -0.013 0.000 0.286 548 Y C 1.929 177.743 175.900 -0.143 0.000 1.145 548 Y CA 1.946 59.971 58.100 -0.126 0.000 1.148 548 Y CB -0.231 38.137 38.460 -0.153 0.000 0.981 548 Y HN 0.203 nan 8.280 nan 0.000 0.507 549 L N 0.066 121.117 121.223 -0.287 0.000 2.093 549 L HA -0.167 4.165 4.340 -0.013 0.000 0.208 549 L C 2.443 179.240 176.870 -0.122 0.000 1.085 549 L CA 1.639 56.338 54.840 -0.236 0.000 0.755 549 L CB -0.526 41.373 42.059 -0.267 0.000 0.904 549 L HN 0.242 nan 8.230 nan 0.000 0.435 550 E N 0.687 120.827 120.200 -0.099 0.000 2.072 550 E HA -0.235 4.107 4.350 -0.013 0.000 0.191 550 E C 2.242 178.796 176.600 -0.077 0.000 0.985 550 E CA 1.305 57.681 56.400 -0.041 0.000 0.801 550 E CB -0.041 29.663 29.700 0.006 0.000 0.750 550 E HN 0.192 nan 8.360 nan 0.000 0.452 551 R N -0.089 120.336 120.500 -0.124 0.000 2.066 551 R HA -0.101 4.231 4.340 -0.013 0.000 0.232 551 R C 1.659 177.817 176.300 -0.237 0.000 1.131 551 R CA 1.657 57.671 56.100 -0.143 0.000 0.955 551 R CB -0.004 30.225 30.300 -0.119 0.000 0.851 551 R HN 0.098 nan 8.270 nan 0.000 0.432 552 E N -1.031 118.921 120.200 -0.412 0.000 2.340 552 E HA -0.063 4.279 4.350 -0.013 0.000 0.194 552 E C 0.564 176.693 176.600 -0.785 0.000 0.996 552 E CA 0.848 56.853 56.400 -0.659 0.000 0.869 552 E CB 0.403 29.498 29.700 -1.008 0.000 0.835 552 E HN 0.489 nan 8.360 nan 0.000 0.493 553 Y N -0.229 119.953 120.300 -0.197 0.000 2.610 553 Y HA 0.212 4.754 4.550 -0.013 0.000 0.254 553 Y C 0.205 176.064 175.900 -0.069 0.000 1.110 553 Y CA -0.639 57.395 58.100 -0.111 0.000 1.238 553 Y CB 0.787 39.183 38.460 -0.107 0.000 1.322 553 Y HN -0.255 nan 8.280 nan 0.000 0.547 554 K N 0.105 120.523 120.400 0.031 0.000 3.016 554 K HA -0.151 4.161 4.320 -0.013 0.000 0.262 554 K C -0.568 176.069 176.600 0.061 0.000 1.043 554 K CA 0.457 56.764 56.287 0.034 0.000 0.761 554 K CB -2.171 30.345 32.500 0.026 0.000 1.230 554 K HN 0.137 nan 8.250 nan 0.000 0.485 555 V N 1.817 121.769 119.914 0.063 0.000 2.383 555 V HA 0.142 4.254 4.120 -0.013 0.000 0.275 555 V C 0.703 176.824 176.094 0.045 0.000 1.036 555 V CA -0.687 61.640 62.300 0.046 0.000 0.889 555 V CB 1.464 33.289 31.823 0.004 0.000 0.985 555 V HN 0.262 nan 8.190 nan 0.000 0.459 556 H N 6.615 125.673 119.070 -0.021 0.000 2.517 556 H HA 0.546 5.095 4.556 -0.013 0.000 0.317 556 H C -0.614 174.703 175.328 -0.019 0.000 1.080 556 H CA -0.493 55.547 56.048 -0.014 0.000 1.301 556 H CB 1.432 31.192 29.762 -0.004 0.000 1.425 556 H HN 0.723 nan 8.280 nan 0.000 0.471 557 I N 2.209 122.468 120.570 -0.518 0.000 2.603 557 I HA 0.326 4.488 4.170 -0.013 0.000 0.300 557 I C -0.187 175.670 176.117 -0.435 0.000 1.017 557 I CA -1.240 59.840 61.300 -0.365 0.000 1.098 557 I CB 1.805 39.666 38.000 -0.232 0.000 1.279 557 I HN 0.372 nan 8.210 nan 0.000 0.437 558 N N 6.956 125.570 118.700 -0.144 0.000 2.416 558 N HA 0.206 4.938 4.740 -0.013 0.000 0.265 558 N C -1.604 173.995 175.510 0.149 0.000 1.195 558 N CA -2.229 50.827 53.050 0.010 0.000 0.943 558 N CB 0.732 39.261 38.487 0.070 0.000 1.115 558 N HN 0.477 nan 8.380 nan 0.000 0.481 559 P HA -0.052 nan 4.420 nan 0.000 0.226 559 P C -0.477 176.821 177.300 -0.004 0.000 1.153 559 P CA 0.996 64.157 63.100 0.101 0.000 0.777 559 P CB 0.172 31.908 31.700 0.060 0.000 0.794 560 N N 0.146 118.869 118.700 0.038 0.000 2.455 560 N HA 0.102 4.834 4.740 -0.013 0.000 0.258 560 N C -0.199 175.341 175.510 0.049 0.000 1.158 560 N CA -0.298 52.767 53.050 0.026 0.000 0.893 560 N CB 0.124 38.635 38.487 0.040 0.000 1.173 560 N HN 0.158 nan 8.380 nan 0.000 0.503 561 S N -0.630 115.101 115.700 0.053 0.000 2.600 561 S HA 0.392 4.854 4.470 -0.013 0.000 0.300 561 S C -0.416 174.151 174.600 -0.055 0.000 1.087 561 S CA -1.025 57.193 58.200 0.030 0.000 0.965 561 S CB 1.713 64.968 63.200 0.092 0.000 1.089 561 S HN 0.187 nan 8.310 nan 0.000 0.496 562 L N 2.560 123.586 121.223 -0.329 0.000 2.418 562 L HA 0.384 4.716 4.340 -0.013 0.000 0.274 562 L C -0.989 175.863 176.870 -0.029 0.000 1.135 562 L CA -0.519 53.960 54.840 -0.601 0.000 0.870 562 L CB -0.195 41.201 42.059 -1.105 0.000 1.154 562 L HN 0.727 nan 8.230 nan 0.000 0.462 563 F N 4.341 124.164 119.950 -0.211 0.000 2.405 563 F HA 0.105 4.624 4.527 -0.012 0.000 0.358 563 F C 0.423 176.157 175.800 -0.110 0.000 1.151 563 F CA -0.836 57.099 58.000 -0.108 0.000 1.161 563 F CB 0.547 39.526 39.000 -0.035 0.000 1.245 563 F HN 0.526 nan 8.300 nan 0.000 0.545 564 D N 4.823 125.226 120.400 0.006 0.000 2.373 564 D HA 0.326 4.958 4.640 -0.013 0.000 0.227 564 D C -1.040 175.205 176.300 -0.093 0.000 1.091 564 D CA -0.210 53.750 54.000 -0.066 0.000 0.840 564 D CB 1.407 42.149 40.800 -0.098 0.000 1.060 564 D HN 0.121 nan 8.370 nan 0.000 0.502 565 V N 4.587 124.430 119.914 -0.118 0.000 2.483 565 V HA 0.359 4.471 4.120 -0.013 0.000 0.297 565 V C -0.203 175.748 176.094 -0.238 0.000 1.027 565 V CA -0.849 61.370 62.300 -0.136 0.000 0.855 565 V CB 1.636 33.467 31.823 0.014 0.000 0.995 565 V HN 0.524 nan 8.190 nan 0.000 0.424 566 Q N 3.945 123.619 119.800 -0.210 0.000 2.401 566 Q HA 0.646 4.978 4.340 -0.013 0.000 0.260 566 Q C -1.266 174.569 176.000 -0.275 0.000 1.034 566 Q CA -0.471 55.193 55.803 -0.232 0.000 0.737 566 Q CB 1.864 30.494 28.738 -0.180 0.000 1.227 566 Q HN 0.808 nan 8.270 nan 0.000 0.488 567 V N 1.637 121.374 119.914 -0.295 0.000 2.487 567 V HA 0.867 4.979 4.120 -0.013 0.000 0.298 567 V C -0.968 174.837 176.094 -0.482 0.000 1.028 567 V CA -0.582 61.339 62.300 -0.632 0.000 0.860 567 V CB 1.171 32.353 31.823 -1.068 0.000 0.991 567 V HN 0.826 nan 8.190 nan 0.000 0.427 568 K N 2.479 122.654 120.400 -0.375 0.000 3.076 568 K HA 0.400 4.712 4.320 -0.013 0.000 0.314 568 K C -1.241 175.394 176.600 0.058 0.000 1.113 568 K CA -1.183 55.090 56.287 -0.024 0.000 0.860 568 K CB 0.775 33.247 32.500 -0.046 0.000 1.435 568 K HN 0.449 nan 8.250 nan 0.000 0.374 569 R N 1.062 121.669 120.500 0.179 0.000 2.640 569 R HA 0.135 4.467 4.340 -0.013 0.000 0.270 569 R C 0.345 176.726 176.300 0.135 0.000 1.024 569 R CA -0.279 55.945 56.100 0.206 0.000 1.085 569 R CB -0.145 30.350 30.300 0.324 0.000 0.963 569 R HN 0.490 nan 8.270 nan 0.000 0.426 570 I N 5.139 125.712 120.570 0.006 0.000 2.421 570 I HA 0.086 4.248 4.170 -0.013 0.000 0.291 570 I C 0.728 176.666 176.117 -0.299 0.000 1.089 570 I CA 0.596 61.839 61.300 -0.095 0.000 1.354 570 I CB -0.364 37.595 38.000 -0.069 0.000 1.413 570 I HN 0.262 nan 8.210 nan 0.000 0.513 571 H N 4.662 123.660 119.070 -0.121 0.000 2.894 571 H HA 0.234 4.782 4.556 -0.013 0.000 0.367 571 H C 0.502 175.729 175.328 -0.168 0.000 1.144 571 H CA -0.515 55.491 56.048 -0.070 0.000 1.180 571 H CB 2.163 31.801 29.762 -0.207 0.000 1.758 571 H HN 0.502 nan 8.280 nan 0.000 0.541 572 E N 1.244 121.506 120.200 0.103 0.000 2.085 572 E HA -0.238 4.104 4.350 -0.013 0.000 0.194 572 E C 1.549 177.904 176.600 -0.408 0.000 0.994 572 E CA 1.828 58.223 56.400 -0.008 0.000 0.801 572 E CB -0.032 29.859 29.700 0.319 0.000 0.743 572 E HN 0.590 nan 8.360 nan 0.000 0.453 573 Y N 0.782 120.534 120.300 -0.913 0.000 2.293 573 Y HA -0.053 4.489 4.550 -0.013 0.000 0.291 573 Y C 1.604 177.245 175.900 -0.431 0.000 1.137 573 Y CA 0.956 58.367 58.100 -1.149 0.000 1.202 573 Y CB -0.129 37.676 38.460 -1.091 0.000 0.990 573 Y HN -0.204 nan 8.280 nan 0.000 0.537 574 K N 0.644 120.538 120.400 -0.844 0.000 2.432 574 K HA 0.056 4.368 4.320 -0.013 0.000 0.196 574 K C 0.143 176.563 176.600 -0.300 0.000 1.038 574 K CA 0.584 56.510 56.287 -0.602 0.000 0.986 574 K CB -0.040 32.107 32.500 -0.587 0.000 0.782 574 K HN 0.279 nan 8.250 nan 0.000 0.485 575 R N 0.295 120.653 120.500 -0.237 0.000 3.422 575 R HA -0.230 4.102 4.340 -0.013 0.000 0.267 575 R C 0.349 176.574 176.300 -0.124 0.000 1.074 575 R CA 0.232 56.248 56.100 -0.139 0.000 0.718 575 R CB -1.977 28.256 30.300 -0.111 0.000 1.157 575 R HN 0.294 nan 8.270 nan 0.000 0.440 576 Q N 0.402 120.130 119.800 -0.120 0.000 2.197 576 Q HA -0.108 4.224 4.340 -0.013 0.000 0.207 576 Q C 2.044 178.006 176.000 -0.063 0.000 0.984 576 Q CA 1.707 57.456 55.803 -0.090 0.000 0.869 576 Q CB -0.037 28.653 28.738 -0.079 0.000 0.906 576 Q HN 0.587 nan 8.270 nan 0.000 0.426 577 L N -0.611 120.578 121.223 -0.057 0.000 2.083 577 L HA -0.191 4.142 4.340 -0.013 0.000 0.209 577 L C 2.060 178.947 176.870 0.028 0.000 1.083 577 L CA 0.573 55.397 54.840 -0.028 0.000 0.752 577 L CB -0.362 41.691 42.059 -0.009 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N 0.047 121.280 121.223 0.018 0.000 2.046 578 L HA -0.247 4.085 4.340 -0.013 0.000 0.208 578 L C 2.036 178.990 176.870 0.140 0.000 1.077 578 L CA 1.928 56.797 54.840 0.049 0.000 0.747 578 L CB -0.832 41.149 42.059 -0.129 0.000 0.896 578 L HN 0.280 nan 8.230 nan 0.000 0.432 579 N N -1.605 117.137 118.700 0.070 0.000 2.069 579 N HA -0.253 4.479 4.740 -0.013 0.000 0.191 579 N C 1.961 177.563 175.510 0.152 0.000 1.031 579 N CA 1.779 54.944 53.050 0.193 0.000 0.852 579 N CB -0.161 38.362 38.487 0.059 0.000 1.018 579 N HN 0.503 nan 8.380 nan 0.000 0.423 580 C N 0.598 119.923 119.300 0.041 0.000 2.401 580 C HA -0.113 4.339 4.460 -0.013 0.000 0.276 580 C C 2.611 177.607 174.990 0.011 0.000 1.233 580 C CA 0.467 59.461 59.018 -0.040 0.000 1.753 580 C CB -1.302 26.362 27.740 -0.127 0.000 2.029 580 C HN 0.502 nan 8.230 nan 0.000 0.478 581 L N -0.445 120.853 121.223 0.124 0.000 2.046 581 L HA -0.204 4.128 4.340 -0.013 0.000 0.208 581 L C 2.768 179.816 176.870 0.298 0.000 1.077 581 L CA 1.873 56.844 54.840 0.218 0.000 0.747 581 L CB -1.049 41.213 42.059 0.338 0.000 0.896 581 L HN 0.590 nan 8.230 nan 0.000 0.432 582 H N -0.122 119.068 119.070 0.200 0.000 2.357 582 H HA -0.124 4.424 4.556 -0.013 0.000 0.301 582 H C 2.233 177.554 175.328 -0.011 0.000 1.082 582 H CA 1.771 57.840 56.048 0.035 0.000 1.342 582 H CB 0.352 30.033 29.762 -0.134 0.000 1.389 582 H HN 0.097 nan 8.280 nan 0.000 0.511 583 V N 1.541 121.372 119.914 -0.137 0.000 2.287 583 V HA -0.276 3.836 4.120 -0.013 0.000 0.248 583 V C 2.809 178.842 176.094 -0.102 0.000 1.053 583 V CA 1.906 64.092 62.300 -0.190 0.000 1.027 583 V CB -0.506 31.250 31.823 -0.111 0.000 0.646 583 V HN 0.384 nan 8.190 nan 0.000 0.447 584 I N -0.214 120.341 120.570 -0.026 0.000 2.315 584 I HA -0.215 3.947 4.170 -0.013 0.000 0.248 584 I C 2.510 178.713 176.117 0.144 0.000 1.117 584 I CA 1.670 63.040 61.300 0.117 0.000 1.404 584 I CB -0.704 37.363 38.000 0.112 0.000 1.071 584 I HN 0.320 nan 8.210 nan 0.000 0.419 585 T N 1.571 116.160 114.554 0.058 0.000 2.684 585 T HA -0.163 4.179 4.350 -0.013 0.000 0.267 585 T C 1.967 176.631 174.700 -0.061 0.000 1.036 585 T CA 1.368 63.488 62.100 0.034 0.000 1.148 585 T CB -0.393 68.511 68.868 0.059 0.000 0.863 585 T HN 0.247 nan 8.240 nan 0.000 0.436 586 L N -0.431 120.675 121.223 -0.196 0.000 2.012 586 L HA -0.145 4.187 4.340 -0.013 0.000 0.210 586 L C 2.388 179.225 176.870 -0.056 0.000 1.073 586 L CA 1.850 56.574 54.840 -0.193 0.000 0.748 586 L CB -0.675 41.197 42.059 -0.310 0.000 0.891 586 L HN 0.313 nan 8.230 nan 0.000 0.431 587 Y N 1.284 121.533 120.300 -0.085 0.000 2.114 587 Y HA -0.286 4.256 4.550 -0.013 0.000 0.284 587 Y C 2.559 178.460 175.900 0.002 0.000 1.143 587 Y CA 1.871 59.966 58.100 -0.010 0.000 1.135 587 Y CB -0.119 38.388 38.460 0.079 0.000 0.980 587 Y HN 0.211 nan 8.280 nan 0.000 0.499 588 N N 0.459 119.138 118.700 -0.035 0.000 2.166 588 N HA -0.147 4.585 4.740 -0.013 0.000 0.186 588 N C 1.827 177.238 175.510 -0.165 0.000 1.019 588 N CA 1.568 54.533 53.050 -0.141 0.000 0.856 588 N CB -0.386 38.093 38.487 -0.013 0.000 0.993 588 N HN 0.440 nan 8.380 nan 0.000 0.426 589 R N 0.351 120.781 120.500 -0.116 0.000 2.092 589 R HA 0.069 4.401 4.340 -0.013 0.000 0.231 589 R C 2.207 178.428 176.300 -0.131 0.000 1.119 589 R CA 0.710 56.746 56.100 -0.107 0.000 0.970 589 R CB -0.251 29.996 30.300 -0.089 0.000 0.864 589 R HN 0.241 nan 8.270 nan 0.000 0.440 590 I N 0.933 121.405 120.570 -0.164 0.000 2.179 590 I HA -0.278 3.884 4.170 -0.013 0.000 0.242 590 I C 2.035 178.041 176.117 -0.186 0.000 1.088 590 I CA 1.223 62.425 61.300 -0.163 0.000 1.357 590 I CB -0.133 37.773 38.000 -0.157 0.000 1.051 590 I HN 0.006 nan 8.210 nan 0.000 0.409 591 K N 1.007 121.235 120.400 -0.286 0.000 2.148 591 K HA -0.132 4.180 4.320 -0.013 0.000 0.204 591 K C 1.978 178.481 176.600 -0.161 0.000 1.050 591 K CA 1.259 57.391 56.287 -0.259 0.000 0.942 591 K CB -0.302 31.967 32.500 -0.385 0.000 0.724 591 K HN 0.362 nan 8.250 nan 0.000 0.446 592 K N 0.641 120.954 120.400 -0.145 0.000 2.103 592 K HA -0.047 4.265 4.320 -0.013 0.000 0.204 592 K C 0.273 176.828 176.600 -0.075 0.000 1.052 592 K CA 0.888 57.115 56.287 -0.100 0.000 0.945 592 K CB 0.220 32.667 32.500 -0.089 0.000 0.722 592 K HN 0.149 nan 8.250 nan 0.000 0.443 593 E N 0.219 120.373 120.200 -0.077 0.000 3.386 593 E HA 0.086 4.428 4.350 -0.013 0.000 0.236 593 E C -2.204 174.364 176.600 -0.053 0.000 1.227 593 E CA -1.298 55.070 56.400 -0.054 0.000 0.970 593 E CB 1.355 31.029 29.700 -0.043 0.000 1.343 593 E HN 0.039 nan 8.360 nan 0.000 0.397 594 P HA -0.157 nan 4.420 nan 0.000 0.219 594 P C 0.626 177.914 177.300 -0.021 0.000 1.146 594 P CA 1.010 64.083 63.100 -0.046 0.000 0.808 594 P CB 0.398 32.074 31.700 -0.040 0.000 0.779 595 N N -0.171 118.523 118.700 -0.009 0.000 2.457 595 N HA -0.053 4.679 4.740 -0.013 0.000 0.180 595 N C 0.917 176.447 175.510 0.033 0.000 1.050 595 N CA 0.524 53.581 53.050 0.012 0.000 0.906 595 N CB -0.260 38.233 38.487 0.010 0.000 0.968 595 N HN 0.306 nan 8.380 nan 0.000 0.445 596 K N 0.981 121.391 120.400 0.018 0.000 2.339 596 K HA 0.024 4.336 4.320 -0.013 0.000 0.286 596 K C -0.550 176.086 176.600 0.059 0.000 1.050 596 K CA -0.415 55.895 56.287 0.040 0.000 0.956 596 K CB 0.272 32.775 32.500 0.005 0.000 0.990 596 K HN -0.153 nan 8.250 nan 0.000 0.475 597 F N 5.747 125.686 119.950 -0.019 0.000 2.572 597 F HA 0.149 4.668 4.527 -0.013 0.000 0.370 597 F C -0.427 175.360 175.800 -0.021 0.000 1.103 597 F CA -0.064 57.926 58.000 -0.017 0.000 1.286 597 F CB 0.548 39.541 39.000 -0.011 0.000 1.105 597 F HN 0.225 nan 8.300 nan 0.000 0.583 598 V N 4.280 123.613 119.914 -0.969 0.000 2.876 598 V HA 0.548 4.660 4.120 -0.013 0.000 0.312 598 V C -0.678 174.704 176.094 -1.187 0.000 1.085 598 V CA -1.260 60.547 62.300 -0.822 0.000 0.945 598 V CB 1.050 32.637 31.823 -0.393 0.000 1.017 598 V HN 0.606 nan 8.190 nan 0.000 0.428 599 V N 4.387 123.896 119.914 -0.675 0.000 2.493 599 V HA 0.168 4.280 4.120 -0.013 0.000 0.292 599 V C -1.866 174.035 176.094 -0.322 0.000 1.016 599 V CA -0.433 61.641 62.300 -0.376 0.000 1.097 599 V CB 0.212 31.944 31.823 -0.153 0.000 0.947 599 V HN 0.889 nan 8.190 nan 0.000 0.479 600 P HA 0.219 nan 4.420 nan 0.000 0.265 600 P C -0.309 176.888 177.300 -0.172 0.000 1.193 600 P CA 0.220 63.226 63.100 -0.157 0.000 0.765 600 P CB 0.439 32.105 31.700 -0.056 0.000 0.823 601 R N 1.429 121.841 120.500 -0.146 0.000 2.686 601 R HA 0.509 4.841 4.340 -0.013 0.000 0.286 601 R C -0.696 175.555 176.300 -0.081 0.000 0.969 601 R CA -0.631 55.386 56.100 -0.139 0.000 0.898 601 R CB 1.881 32.082 30.300 -0.166 0.000 1.183 601 R HN 0.291 nan 8.270 nan 0.000 0.456 602 T N 2.248 116.772 114.554 -0.050 0.000 2.801 602 T HA 0.216 4.558 4.350 -0.013 0.000 0.306 602 T C -0.116 174.497 174.700 -0.144 0.000 1.020 602 T CA -0.480 61.550 62.100 -0.117 0.000 0.948 602 T CB 1.002 69.732 68.868 -0.230 0.000 0.962 602 T HN 0.147 nan 8.240 nan 0.000 0.465 603 V N 6.034 125.871 119.914 -0.128 0.000 2.385 603 V HA 0.365 4.477 4.120 -0.013 0.000 0.269 603 V C 0.164 176.178 176.094 -0.133 0.000 1.043 603 V CA -0.354 61.876 62.300 -0.117 0.000 0.906 603 V CB 0.344 32.112 31.823 -0.092 0.000 0.995 603 V HN 0.854 nan 8.190 nan 0.000 0.467 604 M N 6.779 126.289 119.600 -0.150 0.000 2.227 604 M HA 0.627 5.099 4.480 -0.013 0.000 0.335 604 M C -0.935 175.250 176.300 -0.191 0.000 1.053 604 M CA -0.177 55.022 55.300 -0.168 0.000 0.973 604 M CB 1.891 34.385 32.600 -0.176 0.000 1.623 604 M HN 0.408 nan 8.290 nan 0.000 0.434 605 I N 1.704 122.135 120.570 -0.232 0.000 2.498 605 I HA 0.861 5.024 4.170 -0.013 0.000 0.290 605 I C 0.064 175.791 176.117 -0.649 0.000 1.032 605 I CA -0.657 60.466 61.300 -0.295 0.000 1.073 605 I CB 2.349 40.271 38.000 -0.130 0.000 1.251 605 I HN 0.816 nan 8.210 nan 0.000 0.426 606 G N 2.810 111.206 108.800 -0.674 0.000 2.704 606 G HA2 0.828 4.780 3.960 -0.013 0.000 0.293 606 G HA3 0.828 4.780 3.960 -0.013 0.000 0.293 606 G C -1.046 173.566 174.900 -0.480 0.000 1.421 606 G CA -0.707 43.847 45.100 -0.910 0.000 0.870 606 G HN 1.011 nan 8.290 nan 0.000 0.492 607 G N -0.409 108.291 108.800 -0.166 0.000 2.352 607 G HA2 0.404 4.356 3.960 -0.013 0.000 0.303 607 G HA3 0.404 4.356 3.960 -0.013 0.000 0.303 607 G C -1.258 173.807 174.900 0.274 0.000 1.593 607 G CA -1.053 44.123 45.100 0.128 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N 0.036 120.580 120.400 0.240 0.000 2.118 608 K HA 0.721 5.033 4.320 -0.013 0.000 0.267 608 K C 0.400 177.139 176.600 0.231 0.000 0.991 608 K CA -0.082 56.357 56.287 0.253 0.000 0.916 608 K CB 1.925 34.458 32.500 0.055 0.000 1.041 608 K HN 0.862 nan 8.250 nan 0.000 0.455 609 A N 1.520 124.507 122.820 0.278 0.000 2.306 609 A HA 0.611 4.923 4.320 -0.013 0.000 0.314 609 A C -0.403 177.351 177.584 0.283 0.000 1.164 609 A CA -0.716 51.419 52.037 0.162 0.000 0.822 609 A CB 0.905 19.936 19.000 0.053 0.000 1.130 609 A HN 0.775 nan 8.150 nan 0.000 0.496 610 A N 3.592 126.561 122.820 0.248 0.000 2.492 610 A HA 0.485 4.797 4.320 -0.013 0.000 0.254 610 A C -1.312 176.383 177.584 0.185 0.000 1.091 610 A CA -0.944 51.262 52.037 0.282 0.000 0.768 610 A CB -0.396 18.792 19.000 0.314 0.000 1.028 610 A HN 0.607 nan 8.150 nan 0.000 0.498 611 P HA -0.197 nan 4.420 nan 0.000 0.219 611 P C 1.195 178.509 177.300 0.022 0.000 1.153 611 P CA 2.219 65.293 63.100 -0.043 0.000 0.865 611 P CB 0.228 31.865 31.700 -0.104 0.000 0.788 612 G N -3.301 105.542 108.800 0.072 0.000 3.605 612 G HA2 0.013 3.965 3.960 -0.013 0.000 0.277 612 G HA3 0.013 3.965 3.960 -0.013 0.000 0.277 612 G C -0.577 174.389 174.900 0.109 0.000 1.093 612 G CA -0.086 45.052 45.100 0.063 0.000 0.821 612 G HN 0.301 nan 8.290 nan 0.000 0.532 613 Y N 1.229 121.526 120.300 -0.004 0.000 2.700 613 Y HA 0.249 4.791 4.550 -0.013 0.000 0.333 613 Y C 1.457 177.374 175.900 0.028 0.000 1.036 613 Y CA -1.098 56.985 58.100 -0.029 0.000 1.287 613 Y CB 0.319 38.787 38.460 0.015 0.000 1.132 613 Y HN 0.338 nan 8.280 nan 0.000 0.510 614 H N 4.240 123.433 119.070 0.204 0.000 2.290 614 H HA -0.220 4.328 4.556 -0.013 0.000 0.298 614 H C 1.746 177.105 175.328 0.052 0.000 1.087 614 H CA 2.356 58.464 56.048 0.099 0.000 1.291 614 H CB 0.414 30.220 29.762 0.073 0.000 1.369 614 H HN 0.737 nan 8.280 nan 0.000 0.492 615 M N 1.025 120.598 119.600 -0.045 0.000 2.108 615 M HA -0.094 4.378 4.480 -0.013 0.000 0.261 615 M C 2.565 178.635 176.300 -0.383 0.000 1.066 615 M CA 1.838 57.026 55.300 -0.188 0.000 1.107 615 M CB -0.726 31.901 32.600 0.045 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.392 121.981 122.820 -0.745 0.000 1.902 616 A HA -0.210 4.102 4.320 -0.013 0.000 0.217 616 A C 2.212 179.623 177.584 -0.288 0.000 1.181 616 A CA 1.981 53.639 52.037 -0.631 0.000 0.623 616 A CB -0.667 17.814 19.000 -0.866 0.000 0.818 616 A HN 0.585 nan 8.150 nan 0.000 0.443 617 K N -1.202 119.084 120.400 -0.190 0.000 2.097 617 K HA -0.055 4.257 4.320 -0.013 0.000 0.205 617 K C 1.987 178.560 176.600 -0.044 0.000 1.050 617 K CA 1.280 57.540 56.287 -0.046 0.000 0.938 617 K CB -0.216 32.324 32.500 0.067 0.000 0.718 617 K HN 0.345 nan 8.250 nan 0.000 0.442 618 M N 0.541 120.062 119.600 -0.132 0.000 2.175 618 M HA -0.095 4.378 4.480 -0.013 0.000 0.264 618 M C 2.130 178.355 176.300 -0.124 0.000 1.063 618 M CA 1.428 56.674 55.300 -0.091 0.000 1.119 618 M CB -0.673 31.841 32.600 -0.143 0.000 1.377 618 M HN 0.124 nan 8.290 nan 0.000 0.415 619 I N -0.030 120.437 120.570 -0.172 0.000 2.179 619 I HA -0.315 3.847 4.170 -0.013 0.000 0.242 619 I C 2.301 178.287 176.117 -0.218 0.000 1.088 619 I CA 1.138 62.327 61.300 -0.185 0.000 1.357 619 I CB -0.353 37.547 38.000 -0.167 0.000 1.051 619 I HN 0.175 nan 8.210 nan 0.000 0.409 620 I N 0.631 121.054 120.570 -0.244 0.000 2.163 620 I HA -0.324 3.838 4.170 -0.013 0.000 0.243 620 I C 2.597 178.424 176.117 -0.483 0.000 1.085 620 I CA 1.341 62.390 61.300 -0.419 0.000 1.347 620 I CB -0.383 37.323 38.000 -0.491 0.000 1.044 620 I HN 0.165 nan 8.210 nan 0.000 0.408 621 K N 1.286 121.405 120.400 -0.467 0.000 2.097 621 K HA -0.200 4.112 4.320 -0.013 0.000 0.206 621 K C 1.942 178.354 176.600 -0.315 0.000 1.049 621 K CA 1.458 57.381 56.287 -0.606 0.000 0.933 621 K CB -0.515 31.300 32.500 -1.141 0.000 0.717 621 K HN 0.147 nan 8.250 nan 0.000 0.442 622 L N 0.611 121.649 121.223 -0.309 0.000 2.056 622 L HA -0.005 4.327 4.340 -0.013 0.000 0.207 622 L C 1.920 178.528 176.870 -0.438 0.000 1.078 622 L CA 1.565 56.047 54.840 -0.597 0.000 0.749 622 L CB -0.409 41.198 42.059 -0.752 0.000 0.901 622 L HN 0.261 nan 8.230 nan 0.000 0.433 623 I N -0.520 119.864 120.570 -0.310 0.000 2.127 623 I HA -0.348 3.814 4.170 -0.013 0.000 0.241 623 I C 2.484 178.496 176.117 -0.174 0.000 1.075 623 I CA 1.940 63.122 61.300 -0.196 0.000 1.334 623 I CB -0.969 37.019 38.000 -0.020 0.000 1.040 623 I HN 0.477 nan 8.210 nan 0.000 0.405 624 T N -0.679 113.750 114.554 -0.207 0.000 2.788 624 T HA -0.112 4.230 4.350 -0.013 0.000 0.268 624 T C 1.989 176.617 174.700 -0.121 0.000 1.044 624 T CA 1.028 63.034 62.100 -0.156 0.000 1.139 624 T CB -0.568 68.169 68.868 -0.218 0.000 0.867 624 T HN 0.354 nan 8.240 nan 0.000 0.454 625 A N 1.479 124.218 122.820 -0.135 0.000 1.930 625 A HA 0.152 4.464 4.320 -0.013 0.000 0.217 625 A C 2.393 179.961 177.584 -0.028 0.000 1.175 625 A CA 1.247 53.269 52.037 -0.025 0.000 0.627 625 A CB -0.823 18.267 19.000 0.149 0.000 0.815 625 A HN 0.591 nan 8.150 nan 0.000 0.443 626 I N -0.220 120.208 120.570 -0.237 0.000 2.226 626 I HA -0.216 3.946 4.170 -0.013 0.000 0.245 626 I C 2.712 178.756 176.117 -0.122 0.000 1.100 626 I CA 1.160 62.268 61.300 -0.320 0.000 1.374 626 I CB -0.641 37.057 38.000 -0.504 0.000 1.057 626 I HN 0.392 nan 8.210 nan 0.000 0.413 627 G N 0.460 109.197 108.800 -0.105 0.000 2.440 627 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.218 627 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.218 627 G C 1.269 176.173 174.900 0.007 0.000 1.154 627 G CA 1.013 46.076 45.100 -0.061 0.000 0.767 627 G HN 0.293 nan 8.290 nan 0.000 0.552 628 D N 0.042 120.471 120.400 0.048 0.000 2.149 628 D HA -0.089 4.543 4.640 -0.013 0.000 0.198 628 D C 2.694 179.088 176.300 0.157 0.000 0.990 628 D CA 0.797 54.878 54.000 0.134 0.000 0.839 628 D CB -0.168 40.654 40.800 0.037 0.000 0.948 628 D HN 0.267 nan 8.370 nan 0.000 0.460 629 V N 0.209 120.140 119.914 0.028 0.000 2.300 629 V HA -0.133 3.979 4.120 -0.013 0.000 0.241 629 V C 2.638 178.672 176.094 -0.101 0.000 1.034 629 V CA 0.700 62.946 62.300 -0.090 0.000 1.021 629 V CB -0.375 31.288 31.823 -0.266 0.000 0.662 629 V HN 0.011 nan 8.190 nan 0.000 0.458 630 V N 1.080 120.878 119.914 -0.193 0.000 2.287 630 V HA -0.241 3.871 4.120 -0.013 0.000 0.248 630 V C 2.161 178.228 176.094 -0.045 0.000 1.053 630 V CA 2.208 64.400 62.300 -0.181 0.000 1.027 630 V CB -0.907 30.814 31.823 -0.170 0.000 0.646 630 V HN 0.571 nan 8.190 nan 0.000 0.447 631 N N -0.478 118.156 118.700 -0.110 0.000 2.573 631 N HA -0.090 4.643 4.740 -0.013 0.000 0.187 631 N C 1.183 176.438 175.510 -0.424 0.000 1.107 631 N CA 0.898 53.795 53.050 -0.255 0.000 0.918 631 N CB -0.273 38.008 38.487 -0.344 0.000 0.966 631 N HN 0.697 nan 8.380 nan 0.000 0.448 632 H N -1.657 117.416 119.070 0.005 0.000 2.923 632 H HA 0.204 4.752 4.556 -0.013 0.000 0.268 632 H C -0.518 174.831 175.328 0.034 0.000 1.148 632 H CA -0.498 55.558 56.048 0.012 0.000 1.146 632 H CB 0.638 30.395 29.762 -0.008 0.000 1.607 632 H HN -0.026 nan 8.280 nan 0.000 0.566 633 D N 2.510 122.994 120.400 0.140 0.000 2.336 633 D HA 0.025 4.657 4.640 -0.013 0.000 0.249 633 D C -1.426 174.941 176.300 0.112 0.000 1.213 633 D CA -2.094 52.004 54.000 0.163 0.000 0.870 633 D CB 1.625 42.609 40.800 0.306 0.000 1.076 633 D HN 0.157 nan 8.370 nan 0.000 0.483 634 P HA -0.114 nan 4.420 nan 0.000 0.222 634 P C 1.518 178.845 177.300 0.045 0.000 1.147 634 P CA 0.335 63.468 63.100 0.056 0.000 0.790 634 P CB 0.528 32.257 31.700 0.048 0.000 0.780 635 V N -0.110 119.833 119.914 0.048 0.000 2.515 635 V HA -0.152 3.960 4.120 -0.013 0.000 0.250 635 V C 2.724 178.830 176.094 0.020 0.000 1.058 635 V CA 1.465 63.779 62.300 0.023 0.000 1.064 635 V CB -0.843 30.981 31.823 0.002 0.000 0.675 635 V HN -0.027 nan 8.190 nan 0.000 0.461 636 V N -0.401 119.544 119.914 0.052 0.000 2.379 636 V HA 0.212 4.324 4.120 -0.013 0.000 0.243 636 V C 1.889 178.002 176.094 0.032 0.000 1.035 636 V CA 1.376 63.706 62.300 0.051 0.000 1.035 636 V CB -1.102 30.803 31.823 0.136 0.000 0.673 636 V HN 0.675 nan 8.190 nan 0.000 0.457 637 G N 1.908 110.730 108.800 0.036 0.000 2.634 637 G HA2 -0.422 3.530 3.960 -0.013 0.000 0.309 637 G HA3 -0.422 3.530 3.960 -0.013 0.000 0.309 637 G C 0.444 175.356 174.900 0.019 0.000 1.265 637 G CA 0.691 45.806 45.100 0.024 0.000 0.998 637 G HN 0.667 nan 8.290 nan 0.000 0.551 638 D N 0.520 120.936 120.400 0.026 0.000 2.336 638 D HA 0.103 4.735 4.640 -0.013 0.000 0.229 638 D C 2.054 178.359 176.300 0.008 0.000 1.061 638 D CA 0.591 54.611 54.000 0.032 0.000 0.875 638 D CB -0.220 40.620 40.800 0.067 0.000 0.904 638 D HN 0.629 nan 8.370 nan 0.000 0.525 639 R N -0.798 119.696 120.500 -0.010 0.000 2.148 639 R HA 0.165 4.497 4.340 -0.013 0.000 0.223 639 R C 0.068 176.327 176.300 -0.068 0.000 1.088 639 R CA 0.438 56.507 56.100 -0.052 0.000 0.985 639 R CB 0.055 30.314 30.300 -0.069 0.000 0.880 639 R HN 0.151 nan 8.270 nan 0.000 0.451 640 L N 0.347 121.548 121.223 -0.037 0.000 2.505 640 L HA 0.387 4.719 4.340 -0.013 0.000 0.266 640 L C -1.576 175.273 176.870 -0.035 0.000 0.954 640 L CA -0.498 54.316 54.840 -0.043 0.000 0.852 640 L CB 1.866 43.910 42.059 -0.025 0.000 1.282 640 L HN -0.157 nan 8.230 nan 0.000 0.403 641 R N 3.929 124.393 120.500 -0.059 0.000 2.628 641 R HA 0.788 5.120 4.340 -0.013 0.000 0.288 641 R C -1.660 174.586 176.300 -0.089 0.000 0.980 641 R CA -0.820 55.236 56.100 -0.073 0.000 0.891 641 R CB 2.448 32.703 30.300 -0.075 0.000 1.188 641 R HN 0.428 nan 8.270 nan 0.000 0.450 642 V N 4.774 124.635 119.914 -0.090 0.000 2.407 642 V HA 0.529 4.641 4.120 -0.013 0.000 0.291 642 V C 0.125 176.174 176.094 -0.074 0.000 1.018 642 V CA -0.825 61.421 62.300 -0.089 0.000 0.842 642 V CB 1.516 33.282 31.823 -0.096 0.000 0.996 642 V HN 0.668 nan 8.190 nan 0.000 0.426 643 I N 1.170 121.695 120.570 -0.075 0.000 2.608 643 I HA 0.677 4.839 4.170 -0.013 0.000 0.295 643 I C -1.184 174.921 176.117 -0.020 0.000 1.049 643 I CA -0.776 60.495 61.300 -0.049 0.000 1.063 643 I CB 2.120 40.071 38.000 -0.082 0.000 1.248 643 I HN 0.461 nan 8.210 nan 0.000 0.424 644 F N 6.695 126.581 119.950 -0.107 0.000 2.391 644 F HA 0.537 5.056 4.527 -0.013 0.000 0.359 644 F C -0.446 175.298 175.800 -0.093 0.000 1.122 644 F CA -0.586 57.356 58.000 -0.096 0.000 1.120 644 F CB 0.937 39.882 39.000 -0.093 0.000 1.142 644 F HN 0.402 nan 8.300 nan 0.000 0.483 645 L N 6.163 127.072 121.223 -0.524 0.000 2.385 645 L HA 0.165 4.497 4.340 -0.013 0.000 0.281 645 L C 0.411 177.121 176.870 -0.266 0.000 1.106 645 L CA -0.056 54.602 54.840 -0.303 0.000 0.856 645 L CB 0.409 42.359 42.059 -0.181 0.000 1.186 645 L HN 0.629 nan 8.230 nan 0.000 0.453 646 E N 4.564 124.731 120.200 -0.055 0.000 2.338 646 E HA -0.043 4.299 4.350 -0.013 0.000 0.272 646 E C 0.289 176.999 176.600 0.184 0.000 1.029 646 E CA -0.433 56.053 56.400 0.144 0.000 0.872 646 E CB 0.480 30.223 29.700 0.071 0.000 1.015 646 E HN 0.581 nan 8.360 nan 0.000 0.417 647 N N 2.749 121.598 118.700 0.248 0.000 2.756 647 N HA -0.268 4.464 4.740 -0.013 0.000 0.248 647 N C -1.606 174.016 175.510 0.188 0.000 1.062 647 N CA 0.508 53.688 53.050 0.217 0.000 0.696 647 N CB -1.740 36.884 38.487 0.229 0.000 0.946 647 N HN 0.533 nan 8.380 nan 0.000 0.548 648 Y N 1.735 122.067 120.300 0.053 0.000 2.721 648 Y HA 0.191 4.733 4.550 -0.014 0.000 0.329 648 Y C 1.111 177.041 175.900 0.050 0.000 1.211 648 Y CA 0.630 58.744 58.100 0.022 0.000 1.512 648 Y CB 0.303 38.745 38.460 -0.031 0.000 1.249 648 Y HN 0.372 nan 8.280 nan 0.000 0.549 649 R N 2.590 122.741 120.500 -0.583 0.000 2.747 649 R HA 0.437 4.769 4.340 -0.013 0.000 0.272 649 R C -0.535 175.427 176.300 -0.564 0.000 1.032 649 R CA -0.603 55.240 56.100 -0.429 0.000 0.896 649 R CB 0.367 30.594 30.300 -0.122 0.000 1.253 649 R HN 0.367 nan 8.270 nan 0.000 0.461 650 V N 1.104 120.709 119.914 -0.516 0.000 2.287 650 V HA -0.292 3.820 4.120 -0.013 0.000 0.248 650 V C 2.597 178.549 176.094 -0.236 0.000 1.053 650 V CA 2.843 64.903 62.300 -0.400 0.000 1.027 650 V CB -0.820 30.723 31.823 -0.467 0.000 0.646 650 V HN 0.928 nan 8.190 nan 0.000 0.447 651 S N 0.092 115.670 115.700 -0.203 0.000 2.382 651 S HA -0.182 4.280 4.470 -0.013 0.000 0.228 651 S C 1.931 176.459 174.600 -0.119 0.000 1.027 651 S CA 1.704 59.814 58.200 -0.150 0.000 0.991 651 S CB -0.534 62.609 63.200 -0.096 0.000 0.823 651 S HN 0.403 nan 8.310 nan 0.000 0.469 652 L N 1.935 123.100 121.223 -0.098 0.000 2.109 652 L HA 0.327 4.659 4.340 -0.013 0.000 0.207 652 L C 2.680 179.561 176.870 0.018 0.000 1.086 652 L CA 1.395 56.220 54.840 -0.025 0.000 0.760 652 L CB -1.225 40.888 42.059 0.089 0.000 0.910 652 L HN 0.347 nan 8.230 nan 0.000 0.437 653 A N -0.669 122.150 122.820 -0.002 0.000 1.940 653 A HA -0.246 4.066 4.320 -0.013 0.000 0.219 653 A C 2.143 179.802 177.584 0.126 0.000 1.176 653 A CA 1.921 54.044 52.037 0.144 0.000 0.631 653 A CB -0.614 18.472 19.000 0.143 0.000 0.814 653 A HN 0.608 nan 8.150 nan 0.000 0.446 654 E N -0.493 119.743 120.200 0.060 0.000 2.268 654 E HA -0.145 4.197 4.350 -0.013 0.000 0.195 654 E C 1.905 178.471 176.600 -0.057 0.000 0.995 654 E CA 1.094 57.477 56.400 -0.029 0.000 0.836 654 E CB -0.040 29.539 29.700 -0.203 0.000 0.763 654 E HN 0.625 nan 8.360 nan 0.000 0.491 655 K N 0.110 120.466 120.400 -0.074 0.000 2.099 655 K HA 0.010 4.322 4.320 -0.013 0.000 0.203 655 K C 2.172 178.675 176.600 -0.161 0.000 1.047 655 K CA 0.521 56.773 56.287 -0.059 0.000 0.963 655 K CB -0.016 32.431 32.500 -0.087 0.000 0.759 655 K HN -0.042 nan 8.250 nan 0.000 0.451 656 V N 1.819 121.526 119.914 -0.345 0.000 2.488 656 V HA -0.117 3.995 4.120 -0.013 0.000 0.246 656 V C 1.916 177.766 176.094 -0.407 0.000 1.046 656 V CA 1.146 62.985 62.300 -0.768 0.000 1.053 656 V CB -0.144 31.233 31.823 -0.744 0.000 0.679 656 V HN 0.237 nan 8.190 nan 0.000 0.458 657 I N 0.855 121.233 120.570 -0.320 0.000 2.163 657 I HA -0.140 4.022 4.170 -0.013 0.000 0.243 657 I C -0.312 175.673 176.117 -0.220 0.000 1.085 657 I CA 1.691 62.713 61.300 -0.463 0.000 1.347 657 I CB -1.506 36.091 38.000 -0.672 0.000 1.044 657 I HN 0.377 nan 8.210 nan 0.000 0.408 658 P HA -0.084 nan 4.420 nan 0.000 0.226 658 P C 0.903 178.202 177.300 -0.001 0.000 1.153 658 P CA 1.084 64.161 63.100 -0.037 0.000 0.777 658 P CB 0.039 31.730 31.700 -0.016 0.000 0.794 659 A N -1.037 121.775 122.820 -0.014 0.000 2.275 659 A HA 0.478 4.790 4.320 -0.013 0.000 0.212 659 A C 1.177 178.861 177.584 0.167 0.000 1.201 659 A CA 0.086 52.170 52.037 0.079 0.000 0.843 659 A CB -0.626 18.458 19.000 0.140 0.000 0.873 659 A HN 0.197 nan 8.150 nan 0.000 0.492 660 A N -0.021 122.890 122.820 0.153 0.000 2.354 660 A HA 0.476 4.788 4.320 -0.013 0.000 0.269 660 A C 0.342 178.078 177.584 0.253 0.000 1.109 660 A CA -0.208 51.988 52.037 0.265 0.000 0.800 660 A CB 0.347 19.612 19.000 0.440 0.000 1.045 660 A HN 0.267 nan 8.150 nan 0.000 0.489 661 D N 0.425 120.977 120.400 0.253 0.000 2.338 661 D HA 0.096 4.728 4.640 -0.013 0.000 0.224 661 D C -0.171 176.360 176.300 0.386 0.000 0.967 661 D CA 0.902 55.107 54.000 0.342 0.000 0.896 661 D CB 0.211 41.127 40.800 0.194 0.000 1.028 661 D HN 0.359 nan 8.370 nan 0.000 0.493 662 L N 0.548 121.878 121.223 0.178 0.000 2.356 662 L HA 0.348 4.680 4.340 -0.013 0.000 0.277 662 L C -0.717 176.050 176.870 -0.170 0.000 0.996 662 L CA -0.528 54.338 54.840 0.045 0.000 0.822 662 L CB 2.104 44.157 42.059 -0.010 0.000 1.256 662 L HN -0.284 nan 8.230 nan 0.000 0.413 663 S N 4.159 119.672 115.700 -0.313 0.000 2.422 663 S HA 0.434 4.896 4.470 -0.013 0.000 0.308 663 S C -0.562 173.764 174.600 -0.457 0.000 1.097 663 S CA -0.644 57.103 58.200 -0.754 0.000 1.099 663 S CB 0.300 63.015 63.200 -0.808 0.000 0.976 663 S HN 0.617 nan 8.310 nan 0.000 0.471 664 E N 4.095 124.025 120.200 -0.450 0.000 2.105 664 E HA 0.211 4.553 4.350 -0.013 0.000 0.285 664 E C -0.495 175.985 176.600 -0.199 0.000 1.055 664 E CA -0.332 55.939 56.400 -0.216 0.000 0.843 664 E CB 0.977 30.580 29.700 -0.161 0.000 1.067 664 E HN 0.611 nan 8.360 nan 0.000 0.398 665 Q N 2.816 122.561 119.800 -0.091 0.000 3.064 665 Q HA 0.266 4.598 4.340 -0.013 0.000 0.258 665 Q C 0.571 176.548 176.000 -0.039 0.000 0.972 665 Q CA -0.114 55.641 55.803 -0.079 0.000 0.761 665 Q CB 0.255 28.957 28.738 -0.060 0.000 1.281 665 Q HN 0.612 nan 8.270 nan 0.000 0.455 666 I N -1.808 118.723 120.570 -0.064 0.000 3.762 666 I HA 0.271 4.433 4.170 -0.013 0.000 0.333 666 I C 0.425 176.477 176.117 -0.109 0.000 1.566 666 I CA -0.687 60.587 61.300 -0.043 0.000 1.129 666 I CB 0.547 38.523 38.000 -0.040 0.000 1.218 666 I HN 0.009 nan 8.210 nan 0.000 0.456 667 S N 0.491 116.121 115.700 -0.115 0.000 2.563 667 S HA 0.133 4.595 4.470 -0.013 0.000 0.284 667 S C 0.588 175.155 174.600 -0.055 0.000 1.331 667 S CA -0.218 57.932 58.200 -0.084 0.000 1.047 667 S CB 0.141 63.334 63.200 -0.011 0.000 0.859 667 S HN 0.395 nan 8.310 nan 0.000 0.514 668 T N 2.950 117.510 114.554 0.010 0.000 2.908 668 T HA 0.357 4.699 4.350 -0.013 0.000 0.301 668 T C 0.780 175.484 174.700 0.007 0.000 1.019 668 T CA 0.294 62.410 62.100 0.026 0.000 1.152 668 T CB -0.059 68.897 68.868 0.147 0.000 0.966 668 T HN 1.027 nan 8.240 nan 0.000 0.540 669 A N 2.812 125.603 122.820 -0.049 0.000 2.566 669 A HA 0.452 4.764 4.320 -0.013 0.000 0.245 669 A C 1.647 179.217 177.584 -0.022 0.000 1.056 669 A CA 0.295 52.299 52.037 -0.055 0.000 0.757 669 A CB -0.892 18.061 19.000 -0.077 0.000 0.979 669 A HN 1.695 nan 8.150 nan 0.000 0.508 670 G N 1.417 110.204 108.800 -0.023 0.000 2.176 670 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.232 670 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.232 670 G C 0.918 175.803 174.900 -0.025 0.000 0.986 670 G CA 1.075 46.163 45.100 -0.019 0.000 0.643 670 G HN 1.941 nan 8.290 nan 0.000 0.522 671 T N -2.247 112.299 114.554 -0.013 0.000 3.042 671 T HA 0.397 4.739 4.350 -0.013 0.000 0.245 671 T C 0.784 175.367 174.700 -0.195 0.000 1.029 671 T CA 1.115 63.163 62.100 -0.088 0.000 1.120 671 T CB 0.499 69.393 68.868 0.043 0.000 0.917 671 T HN 0.282 nan 8.240 nan 0.000 0.467 672 E N 1.430 121.633 120.200 0.005 0.000 2.052 672 E HA 0.652 4.994 4.350 -0.013 0.000 0.283 672 E C 1.102 177.650 176.600 -0.086 0.000 1.071 672 E CA 0.059 56.488 56.400 0.048 0.000 0.851 672 E CB 0.867 30.634 29.700 0.111 0.000 1.066 672 E HN 0.345 nan 8.360 nan 0.000 0.396 673 A N 3.395 126.089 122.820 -0.210 0.000 1.908 673 A HA -0.184 4.128 4.320 -0.013 0.000 0.218 673 A C 1.957 179.417 177.584 -0.207 0.000 1.181 673 A CA 2.152 53.938 52.037 -0.418 0.000 0.627 673 A CB -0.181 18.331 19.000 -0.812 0.000 0.818 673 A HN 0.603 nan 8.150 nan 0.000 0.445 674 S N -3.898 111.738 115.700 -0.106 0.000 3.916 674 S HA 0.444 4.907 4.470 -0.013 0.000 0.231 674 S C 0.720 175.304 174.600 -0.026 0.000 1.161 674 S CA 1.427 59.608 58.200 -0.031 0.000 0.938 674 S CB -0.199 63.008 63.200 0.013 0.000 1.170 674 S HN 2.254 nan 8.310 nan 0.000 0.508 675 G N 0.371 109.160 108.800 -0.018 0.000 2.716 675 G HA2 -0.060 3.892 3.960 -0.013 0.000 0.686 675 G HA3 -0.060 3.892 3.960 -0.013 0.000 0.686 675 G C 0.254 175.135 174.900 -0.032 0.000 1.337 675 G CA 0.449 45.536 45.100 -0.022 0.000 0.829 675 G HN 1.347 nan 8.290 nan 0.000 0.599 676 T N -2.019 112.504 114.554 -0.051 0.000 3.051 676 T HA 0.381 4.723 4.350 -0.013 0.000 0.254 676 T C 2.378 176.982 174.700 -0.160 0.000 0.916 676 T CA 1.252 63.294 62.100 -0.097 0.000 0.894 676 T CB 0.236 69.039 68.868 -0.109 0.000 1.251 676 T HN 1.900 nan 8.240 nan 0.000 0.517 677 G N 3.449 112.186 108.800 -0.105 0.000 2.440 677 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.218 677 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.218 677 G C 1.562 176.527 174.900 0.108 0.000 1.154 677 G CA 1.408 46.477 45.100 -0.051 0.000 0.767 677 G HN 0.685 nan 8.290 nan 0.000 0.552 678 N N 0.857 119.590 118.700 0.056 0.000 2.060 678 N HA -0.175 4.557 4.740 -0.013 0.000 0.195 678 N C 1.431 176.946 175.510 0.009 0.000 1.028 678 N CA 1.189 54.264 53.050 0.042 0.000 0.861 678 N CB -0.680 37.781 38.487 -0.044 0.000 1.029 678 N HN 0.405 nan 8.380 nan 0.000 0.428 682 M N 0.289 119.968 119.600 0.132 0.000 2.117 682 M HA -0.138 4.334 4.480 -0.013 0.000 0.262 682 M C 2.033 178.378 176.300 0.075 0.000 1.065 682 M CA 1.812 57.154 55.300 0.071 0.000 1.114 682 M CB -0.084 32.561 32.600 0.076 0.000 1.361 682 M HN 0.312 nan 8.290 nan 0.000 0.408 683 L N 0.877 122.148 121.223 0.080 0.000 2.191 683 L HA -0.117 4.215 4.340 -0.013 0.000 0.212 683 L C 1.348 178.259 176.870 0.069 0.000 1.103 683 L CA 1.692 56.586 54.840 0.090 0.000 0.769 683 L CB -0.662 41.462 42.059 0.109 0.000 0.908 683 L HN 0.365 nan 8.230 nan 0.000 0.438 684 N N -0.382 118.349 118.700 0.051 0.000 2.235 684 N HA 0.168 4.900 4.740 -0.013 0.000 0.209 684 N C 0.837 176.374 175.510 0.045 0.000 1.122 684 N CA 0.777 53.849 53.050 0.037 0.000 0.845 684 N CB 0.572 39.059 38.487 -0.001 0.000 1.004 684 N HN 0.414 nan 8.380 nan 0.000 0.499 685 G N 0.629 109.458 108.800 0.049 0.000 2.142 685 G HA2 -0.204 3.748 3.960 -0.013 0.000 0.225 685 G HA3 -0.204 3.748 3.960 -0.013 0.000 0.225 685 G C 0.000 174.953 174.900 0.089 0.000 1.015 685 G CA 0.151 45.277 45.100 0.043 0.000 0.716 685 G HN 0.506 nan 8.290 nan 0.000 0.508 686 A N -0.318 122.567 122.820 0.110 0.000 2.312 686 A HA 0.878 5.191 4.320 -0.013 0.000 0.328 686 A C 0.393 177.966 177.584 -0.019 0.000 1.158 686 A CA -0.598 51.527 52.037 0.147 0.000 0.821 686 A CB 0.980 20.148 19.000 0.281 0.000 1.170 686 A HN 0.723 nan 8.150 nan 0.000 0.490 687 L N 0.889 122.064 121.223 -0.080 0.000 2.379 687 L HA 0.444 4.776 4.340 -0.013 0.000 0.269 687 L C 0.160 176.916 176.870 -0.190 0.000 1.084 687 L CA -0.376 54.305 54.840 -0.264 0.000 0.802 687 L CB 1.631 43.428 42.059 -0.436 0.000 1.175 687 L HN 0.685 nan 8.230 nan 0.000 0.448 688 T N 2.983 117.349 114.554 -0.313 0.000 2.771 688 T HA 0.443 4.785 4.350 -0.013 0.000 0.281 688 T C -0.343 174.393 174.700 0.061 0.000 0.982 688 T CA -0.238 61.745 62.100 -0.195 0.000 0.978 688 T CB 1.403 70.117 68.868 -0.256 0.000 0.930 688 T HN 0.345 nan 8.240 nan 0.000 0.447 689 I N 3.171 123.788 120.570 0.079 0.000 2.312 689 I HA 0.692 4.855 4.170 -0.013 0.000 0.290 689 I C 0.164 176.470 176.117 0.314 0.000 1.008 689 I CA 0.133 61.574 61.300 0.235 0.000 1.226 689 I CB 0.232 38.281 38.000 0.081 0.000 1.371 689 I HN 0.775 nan 8.210 nan 0.000 0.468 690 G N 3.987 113.036 108.800 0.414 0.000 2.623 690 G HA2 0.461 4.413 3.960 -0.013 0.000 0.290 690 G HA3 0.461 4.413 3.960 -0.013 0.000 0.290 690 G C -0.906 173.888 174.900 -0.177 0.000 1.437 690 G CA -0.447 44.768 45.100 0.192 0.000 0.798 690 G HN 0.564 nan 8.290 nan 0.000 0.488 691 T N -1.284 113.030 114.554 -0.400 0.000 2.847 691 T HA 0.507 4.850 4.350 -0.013 0.000 0.279 691 T C 0.740 175.298 174.700 -0.237 0.000 0.984 691 T CA -0.700 61.099 62.100 -0.502 0.000 0.988 691 T CB 1.102 69.690 68.868 -0.466 0.000 1.040 691 T HN 0.261 nan 8.240 nan 0.000 0.528 692 M N 2.857 122.334 119.600 -0.204 0.000 3.254 692 M HA 0.320 4.792 4.480 -0.013 0.000 0.257 692 M C -0.483 175.750 176.300 -0.111 0.000 1.490 692 M CA 0.021 55.241 55.300 -0.134 0.000 1.620 692 M CB -1.742 30.791 32.600 -0.111 0.000 1.157 692 M HN 0.729 nan 8.290 nan 0.000 0.541 693 D N 0.151 120.490 120.400 -0.102 0.000 2.819 693 D HA 0.656 5.288 4.640 -0.013 0.000 0.232 693 D C 0.662 176.927 176.300 -0.058 0.000 1.160 693 D CA 0.758 54.714 54.000 -0.073 0.000 0.858 693 D CB 1.712 42.470 40.800 -0.070 0.000 1.610 693 D HN 0.618 nan 8.370 nan 0.000 0.481 694 G N 2.047 110.825 108.800 -0.037 0.000 2.634 694 G HA2 -0.252 3.700 3.960 -0.013 0.000 0.309 694 G HA3 -0.252 3.700 3.960 -0.013 0.000 0.309 694 G C 1.032 175.918 174.900 -0.023 0.000 1.265 694 G CA 1.075 46.160 45.100 -0.025 0.000 0.998 694 G HN 1.099 nan 8.290 nan 0.000 0.551 695 A N -0.203 122.600 122.820 -0.028 0.000 2.206 695 A HA 0.146 4.458 4.320 -0.013 0.000 0.211 695 A C 2.078 179.589 177.584 -0.121 0.000 1.158 695 A CA 1.721 53.740 52.037 -0.030 0.000 0.761 695 A CB -0.428 18.562 19.000 -0.017 0.000 0.801 695 A HN 0.615 nan 8.150 nan 0.000 0.473 696 N N 0.607 119.234 118.700 -0.121 0.000 2.137 696 N HA -0.162 4.571 4.740 -0.013 0.000 0.190 696 N C 1.590 176.967 175.510 -0.222 0.000 1.017 696 N CA 1.651 54.611 53.050 -0.151 0.000 0.859 696 N CB -0.622 37.810 38.487 -0.091 0.000 1.002 696 N HN 0.292 nan 8.380 nan 0.000 0.428 697 V N 1.232 121.058 119.914 -0.146 0.000 2.295 697 V HA -0.211 3.901 4.120 -0.013 0.000 0.246 697 V C 1.976 177.993 176.094 -0.129 0.000 1.049 697 V CA 1.696 63.913 62.300 -0.138 0.000 1.024 697 V CB -0.500 31.275 31.823 -0.080 0.000 0.648 697 V HN 0.352 nan 8.190 nan 0.000 0.447 698 E N -0.608 119.568 120.200 -0.040 0.000 2.152 698 E HA -0.133 4.209 4.350 -0.013 0.000 0.192 698 E C 2.214 178.917 176.600 0.171 0.000 0.983 698 E CA 1.030 57.483 56.400 0.089 0.000 0.818 698 E CB -0.186 29.650 29.700 0.228 0.000 0.758 698 E HN 0.536 nan 8.360 nan 0.000 0.467 699 M N 0.472 120.040 119.600 -0.054 0.000 2.086 699 M HA -0.156 4.316 4.480 -0.013 0.000 0.261 699 M C 2.480 178.437 176.300 -0.571 0.000 1.067 699 M CA 1.588 56.741 55.300 -0.244 0.000 1.116 699 M CB -0.185 32.140 32.600 -0.457 0.000 1.348 699 M HN 0.145 nan 8.290 nan 0.000 0.407 700 A N -0.266 121.956 122.820 -0.997 0.000 1.930 700 A HA -0.205 4.107 4.320 -0.013 0.000 0.217 700 A C 1.992 179.362 177.584 -0.357 0.000 1.175 700 A CA 1.848 53.280 52.037 -1.009 0.000 0.627 700 A CB -0.781 17.756 19.000 -0.770 0.000 0.815 700 A HN 0.581 nan 8.150 nan 0.000 0.443 701 E N -0.286 119.788 120.200 -0.211 0.000 2.051 701 E HA -0.228 4.114 4.350 -0.013 0.000 0.192 701 E C 1.786 178.363 176.600 -0.039 0.000 0.991 701 E CA 1.309 57.654 56.400 -0.091 0.000 0.799 701 E CB -0.102 29.565 29.700 -0.055 0.000 0.748 701 E HN 0.538 nan 8.360 nan 0.000 0.449 702 E N 0.087 120.293 120.200 0.010 0.000 2.077 702 E HA -0.166 4.176 4.350 -0.013 0.000 0.193 702 E C 1.826 178.468 176.600 0.070 0.000 0.989 702 E CA 1.237 57.672 56.400 0.059 0.000 0.800 702 E CB -0.216 29.581 29.700 0.162 0.000 0.746 702 E HN 0.374 nan 8.360 nan 0.000 0.452 703 A N 0.187 123.062 122.820 0.092 0.000 2.081 703 A HA 0.346 4.658 4.320 -0.013 0.000 0.214 703 A C 1.046 178.683 177.584 0.089 0.000 1.158 703 A CA 1.049 53.175 52.037 0.148 0.000 0.724 703 A CB 0.036 19.248 19.000 0.354 0.000 0.826 703 A HN 0.252 nan 8.150 nan 0.000 0.463 704 G N -0.445 108.374 108.800 0.031 0.000 3.190 704 G HA2 -0.112 3.840 3.960 -0.013 0.000 0.686 704 G HA3 -0.112 3.840 3.960 -0.013 0.000 0.686 704 G C -0.013 174.899 174.900 0.021 0.000 1.033 704 G CA 0.030 45.136 45.100 0.010 0.000 0.797 704 G HN 0.271 nan 8.290 nan 0.000 0.567 705 E N 0.594 120.780 120.200 -0.023 0.000 2.209 705 E HA -0.187 4.155 4.350 -0.013 0.000 0.196 705 E C 2.346 178.946 176.600 -0.001 0.000 0.993 705 E CA 1.259 57.649 56.400 -0.018 0.000 0.819 705 E CB 0.090 29.766 29.700 -0.039 0.000 0.745 705 E HN 0.791 nan 8.360 nan 0.000 0.477 706 E N 0.805 120.991 120.200 -0.023 0.000 2.401 706 E HA -0.181 4.161 4.350 -0.013 0.000 0.199 706 E C 0.837 177.366 176.600 -0.118 0.000 1.023 706 E CA 0.844 57.204 56.400 -0.067 0.000 0.859 706 E CB -0.093 29.577 29.700 -0.050 0.000 0.780 706 E HN 0.198 nan 8.360 nan 0.000 0.523 707 N N -0.410 118.265 118.700 -0.040 0.000 2.203 707 N HA 0.161 4.893 4.740 -0.013 0.000 0.207 707 N C -1.000 174.430 175.510 -0.133 0.000 1.130 707 N CA 0.045 53.041 53.050 -0.090 0.000 0.861 707 N CB 0.320 38.812 38.487 0.007 0.000 1.005 707 N HN 0.024 nan 8.380 nan 0.000 0.507 708 F N -0.430 119.352 119.950 -0.279 0.000 2.563 708 F HA 0.407 4.925 4.527 -0.014 0.000 0.316 708 F C -0.278 175.345 175.800 -0.294 0.000 1.076 708 F CA -1.026 56.850 58.000 -0.207 0.000 0.921 708 F CB 1.192 40.139 39.000 -0.088 0.000 1.209 708 F HN -0.207 nan 8.300 nan 0.000 0.462 709 F N 4.694 124.702 119.950 0.095 0.000 2.541 709 F HA 0.310 4.829 4.527 -0.013 0.000 0.351 709 F C -0.127 175.813 175.800 0.232 0.000 1.209 709 F CA -0.410 57.659 58.000 0.115 0.000 1.277 709 F CB -0.309 38.716 39.000 0.042 0.000 1.632 709 F HN 0.005 nan 8.300 nan 0.000 0.619 710 I N 3.719 124.466 120.570 0.295 0.000 2.395 710 I HA 0.280 4.442 4.170 -0.013 0.000 0.289 710 I C -0.042 176.241 176.117 0.277 0.000 1.023 710 I CA -0.696 60.739 61.300 0.224 0.000 1.350 710 I CB 0.202 38.253 38.000 0.086 0.000 1.409 710 I HN 0.287 nan 8.210 nan 0.000 0.507 711 F N 2.776 122.780 119.950 0.091 0.000 2.685 711 F HA 0.900 5.419 4.527 -0.014 0.000 0.315 711 F C 0.069 175.901 175.800 0.055 0.000 1.126 711 F CA -0.603 57.445 58.000 0.081 0.000 0.950 711 F CB 1.334 40.402 39.000 0.113 0.000 1.360 711 F HN 0.810 nan 8.300 nan 0.000 0.469 712 G N 0.991 109.858 108.800 0.112 0.000 2.757 712 G HA2 -0.066 3.886 3.960 -0.013 0.000 0.638 712 G HA3 -0.066 3.886 3.960 -0.013 0.000 0.638 712 G C -0.889 173.984 174.900 -0.045 0.000 1.344 712 G CA -0.661 44.444 45.100 0.008 0.000 0.855 712 G HN 0.962 nan 8.290 nan 0.000 0.537 713 M N 0.281 119.866 119.600 -0.025 0.000 2.250 713 M HA 0.254 4.726 4.480 -0.013 0.000 0.337 713 M C 1.139 177.401 176.300 -0.063 0.000 1.161 713 M CA 0.254 55.542 55.300 -0.019 0.000 1.088 713 M CB 0.321 32.917 32.600 -0.006 0.000 1.639 713 M HN 0.556 nan 8.290 nan 0.000 0.447 714 R N 1.242 121.718 120.500 -0.041 0.000 2.546 714 R HA 0.236 4.568 4.340 -0.013 0.000 0.266 714 R C 1.097 177.374 176.300 -0.039 0.000 1.086 714 R CA -0.489 55.582 56.100 -0.050 0.000 1.160 714 R CB 0.200 30.478 30.300 -0.036 0.000 1.138 714 R HN 0.580 nan 8.270 nan 0.000 0.567 715 V N 1.719 121.609 119.914 -0.041 0.000 2.324 715 V HA -0.319 3.793 4.120 -0.013 0.000 0.250 715 V C 2.126 178.206 176.094 -0.023 0.000 1.060 715 V CA 2.426 64.706 62.300 -0.033 0.000 1.042 715 V CB -0.732 31.069 31.823 -0.036 0.000 0.650 715 V HN 0.862 nan 8.190 nan 0.000 0.450 716 E N 0.110 120.299 120.200 -0.019 0.000 2.118 716 E HA -0.291 4.051 4.350 -0.013 0.000 0.195 716 E C 1.586 178.188 176.600 0.002 0.000 0.992 716 E CA 1.860 58.254 56.400 -0.010 0.000 0.804 716 E CB -0.503 29.192 29.700 -0.009 0.000 0.741 716 E HN 0.626 nan 8.360 nan 0.000 0.458 717 D N 1.064 121.468 120.400 0.006 0.000 2.149 717 D HA -0.071 4.561 4.640 -0.013 0.000 0.201 717 D C 2.297 178.614 176.300 0.027 0.000 0.972 717 D CA 0.979 54.995 54.000 0.025 0.000 0.835 717 D CB 0.022 40.841 40.800 0.031 0.000 0.966 717 D HN 0.134 nan 8.370 nan 0.000 0.476 718 V N 1.965 121.881 119.914 0.004 0.000 2.295 718 V HA -0.215 3.897 4.120 -0.013 0.000 0.246 718 V C 1.953 178.046 176.094 -0.002 0.000 1.049 718 V CA 1.722 64.016 62.300 -0.010 0.000 1.024 718 V CB -0.411 31.394 31.823 -0.029 0.000 0.648 718 V HN 0.029 nan 8.190 nan 0.000 0.447 719 D N -0.137 120.262 120.400 -0.003 0.000 2.117 719 D HA -0.146 4.486 4.640 -0.013 0.000 0.197 719 D C 2.407 178.717 176.300 0.016 0.000 0.987 719 D CA 1.181 55.181 54.000 -0.001 0.000 0.829 719 D CB -0.272 40.523 40.800 -0.008 0.000 0.961 719 D HN 0.370 nan 8.370 nan 0.000 0.460 720 R N 0.052 120.568 120.500 0.025 0.000 2.096 720 R HA -0.013 4.319 4.340 -0.013 0.000 0.235 720 R C 2.515 178.852 176.300 0.061 0.000 1.127 720 R CA 0.489 56.613 56.100 0.039 0.000 0.968 720 R CB -0.302 30.023 30.300 0.042 0.000 0.861 720 R HN 0.205 nan 8.270 nan 0.000 0.440 721 L N 0.614 121.884 121.223 0.079 0.000 2.046 721 L HA -0.215 4.117 4.340 -0.013 0.000 0.208 721 L C 1.650 178.586 176.870 0.110 0.000 1.077 721 L CA 1.257 56.173 54.840 0.126 0.000 0.747 721 L CB -0.329 41.827 42.059 0.162 0.000 0.896 721 L HN 0.207 nan 8.230 nan 0.000 0.432 722 D N -0.431 120.006 120.400 0.062 0.000 2.117 722 D HA -0.214 4.418 4.640 -0.013 0.000 0.197 722 D C 2.230 178.556 176.300 0.043 0.000 0.987 722 D CA 1.114 55.140 54.000 0.044 0.000 0.829 722 D CB -0.102 40.703 40.800 0.008 0.000 0.961 722 D HN 0.381 nan 8.370 nan 0.000 0.460 723 Q N -0.190 119.632 119.800 0.037 0.000 2.135 723 Q HA -0.173 4.159 4.340 -0.013 0.000 0.204 723 Q C 2.054 178.077 176.000 0.038 0.000 0.981 723 Q CA 1.518 57.340 55.803 0.031 0.000 0.856 723 Q CB -0.024 28.730 28.738 0.026 0.000 0.902 723 Q HN 0.345 nan 8.270 nan 0.000 0.425 724 R N -0.959 119.572 120.500 0.052 0.000 2.308 724 R HA 0.283 4.616 4.340 -0.013 0.000 0.202 724 R C 0.064 176.400 176.300 0.059 0.000 0.898 724 R CA 0.554 56.684 56.100 0.050 0.000 1.046 724 R CB 0.629 30.959 30.300 0.051 0.000 1.026 724 R HN 0.056 nan 8.270 nan 0.000 0.512 725 G N 1.020 109.869 108.800 0.081 0.000 3.209 725 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.686 725 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.686 725 G C -1.432 173.558 174.900 0.149 0.000 1.065 725 G CA -0.382 44.776 45.100 0.096 0.000 0.812 725 G HN 0.308 nan 8.290 nan 0.000 0.573 726 Y N 3.119 123.449 120.300 0.049 0.000 2.436 726 Y HA 0.577 5.119 4.550 -0.013 0.000 0.343 726 Y C 0.316 176.269 175.900 0.087 0.000 1.008 726 Y CA -1.149 57.001 58.100 0.083 0.000 1.241 726 Y CB 1.080 39.570 38.460 0.050 0.000 1.153 726 Y HN 0.621 nan 8.280 nan 0.000 0.521 727 N N 4.905 123.393 118.700 -0.354 0.000 2.621 727 N HA 0.336 5.068 4.740 -0.013 0.000 0.237 727 N C 0.342 175.601 175.510 -0.417 0.000 0.997 727 N CA 0.269 53.119 53.050 -0.333 0.000 0.918 727 N CB 1.101 39.512 38.487 -0.126 0.000 1.122 727 N HN 0.772 nan 8.380 nan 0.000 0.510 728 A N 2.764 125.228 122.820 -0.592 0.000 1.972 728 A HA -0.193 4.119 4.320 -0.013 0.000 0.219 728 A C 1.893 179.612 177.584 0.224 0.000 1.169 728 A CA 1.411 53.342 52.037 -0.177 0.000 0.635 728 A CB -0.445 18.379 19.000 -0.293 0.000 0.810 728 A HN 0.706 nan 8.150 nan 0.000 0.446 729 Q N 0.287 120.105 119.800 0.031 0.000 2.152 729 Q HA -0.238 4.094 4.340 -0.013 0.000 0.206 729 Q C 1.914 177.990 176.000 0.127 0.000 0.985 729 Q CA 2.303 58.148 55.803 0.071 0.000 0.863 729 Q CB -0.358 28.375 28.738 -0.009 0.000 0.904 729 Q HN 0.781 nan 8.270 nan 0.000 0.422 730 E N -1.418 118.793 120.200 0.018 0.000 2.085 730 E HA -0.237 4.105 4.350 -0.013 0.000 0.194 730 E C 1.527 178.055 176.600 -0.120 0.000 0.994 730 E CA 1.407 57.744 56.400 -0.104 0.000 0.801 730 E CB -0.200 29.338 29.700 -0.270 0.000 0.743 730 E HN 0.592 nan 8.360 nan 0.000 0.453 731 Y N -1.056 119.310 120.300 0.110 0.000 2.220 731 Y HA -0.186 4.356 4.550 -0.013 0.000 0.291 731 Y C 2.233 178.127 175.900 -0.010 0.000 1.129 731 Y CA 1.445 59.599 58.100 0.090 0.000 1.161 731 Y CB -0.733 37.841 38.460 0.190 0.000 0.997 731 Y HN 0.204 nan 8.280 nan 0.000 0.522 732 Y N 1.499 121.824 120.300 0.043 0.000 2.114 732 Y HA -0.305 4.237 4.550 -0.013 0.000 0.282 732 Y C 1.830 177.696 175.900 -0.057 0.000 1.165 732 Y CA 1.998 60.044 58.100 -0.091 0.000 1.148 732 Y CB -0.430 38.035 38.460 0.009 0.000 0.972 732 Y HN 0.089 nan 8.280 nan 0.000 0.504 733 D N -0.389 120.103 120.400 0.153 0.000 2.219 733 D HA -0.093 4.539 4.640 -0.013 0.000 0.205 733 D C 1.939 178.212 176.300 -0.045 0.000 0.970 733 D CA 1.232 55.264 54.000 0.054 0.000 0.851 733 D CB -0.142 40.709 40.800 0.086 0.000 0.943 733 D HN 0.458 nan 8.370 nan 0.000 0.488 734 R N -0.495 119.978 120.500 -0.046 0.000 2.308 734 R HA 0.303 4.636 4.340 -0.013 0.000 0.202 734 R C 0.288 176.564 176.300 -0.039 0.000 0.898 734 R CA 0.111 56.186 56.100 -0.041 0.000 1.046 734 R CB 1.016 31.293 30.300 -0.039 0.000 1.026 734 R HN 0.100 nan 8.270 nan 0.000 0.512 735 I N 1.490 122.014 120.570 -0.076 0.000 2.464 735 I HA 0.233 4.395 4.170 -0.013 0.000 0.277 735 I C -2.024 173.998 176.117 -0.158 0.000 1.040 735 I CA -2.329 58.932 61.300 -0.065 0.000 1.153 735 I CB 1.994 39.993 38.000 -0.003 0.000 1.274 735 I HN -0.273 nan 8.210 nan 0.000 0.469 736 P HA -0.196 nan 4.420 nan 0.000 0.216 736 P C 1.199 178.411 177.300 -0.146 0.000 1.153 736 P CA 1.509 64.522 63.100 -0.144 0.000 0.858 736 P CB 0.301 31.950 31.700 -0.085 0.000 0.789 737 E N -1.210 118.945 120.200 -0.076 0.000 2.150 737 E HA -0.155 4.187 4.350 -0.013 0.000 0.193 737 E C 1.869 178.393 176.600 -0.127 0.000 0.985 737 E CA 0.597 56.975 56.400 -0.037 0.000 0.814 737 E CB -0.564 29.186 29.700 0.084 0.000 0.752 737 E HN 0.115 nan 8.360 nan 0.000 0.466 738 L N 1.183 122.230 121.223 -0.293 0.000 2.027 738 L HA -0.122 4.211 4.340 -0.013 0.000 0.206 738 L C 2.349 178.959 176.870 -0.433 0.000 1.074 738 L CA 1.661 56.142 54.840 -0.598 0.000 0.745 738 L CB -0.336 41.203 42.059 -0.867 0.000 0.898 738 L HN -0.113 nan 8.230 nan 0.000 0.433 739 R N -0.768 119.445 120.500 -0.478 0.000 2.096 739 R HA -0.265 4.067 4.340 -0.013 0.000 0.240 739 R C 2.459 178.611 176.300 -0.246 0.000 1.139 739 R CA 2.186 57.934 56.100 -0.586 0.000 0.952 739 R CB -0.418 29.456 30.300 -0.710 0.000 0.854 739 R HN 0.618 nan 8.270 nan 0.000 0.436 740 Q N 0.189 119.878 119.800 -0.184 0.000 2.061 740 Q HA -0.199 4.133 4.340 -0.013 0.000 0.204 740 Q C 2.045 178.018 176.000 -0.045 0.000 0.984 740 Q CA 2.086 57.827 55.803 -0.105 0.000 0.846 740 Q CB -0.100 28.578 28.738 -0.100 0.000 0.902 740 Q HN 0.482 nan 8.270 nan 0.000 0.421 741 I N 0.512 121.061 120.570 -0.034 0.000 2.252 741 I HA -0.273 3.889 4.170 -0.013 0.000 0.245 741 I C 2.077 178.262 176.117 0.113 0.000 1.102 741 I CA 0.543 61.879 61.300 0.060 0.000 1.385 741 I CB -0.257 37.755 38.000 0.020 0.000 1.064 741 I HN 0.277 nan 8.210 nan 0.000 0.414 742 I N 0.582 121.204 120.570 0.087 0.000 2.286 742 I HA -0.213 3.949 4.170 -0.013 0.000 0.248 742 I C 2.514 178.755 176.117 0.207 0.000 1.115 742 I CA 1.489 62.906 61.300 0.194 0.000 1.392 742 I CB -1.332 36.858 38.000 0.315 0.000 1.065 742 I HN 0.273 nan 8.210 nan 0.000 0.418 743 E N 0.604 120.905 120.200 0.167 0.000 2.150 743 E HA -0.174 4.168 4.350 -0.013 0.000 0.193 743 E C 2.166 178.842 176.600 0.126 0.000 0.985 743 E CA 0.761 57.245 56.400 0.140 0.000 0.814 743 E CB -0.241 29.514 29.700 0.090 0.000 0.752 743 E HN 0.581 nan 8.360 nan 0.000 0.466 744 Q N 0.196 120.065 119.800 0.116 0.000 2.084 744 Q HA -0.067 4.265 4.340 -0.013 0.000 0.202 744 Q C 2.414 178.624 176.000 0.351 0.000 0.978 744 Q CA 0.975 56.873 55.803 0.158 0.000 0.844 744 Q CB -0.109 28.699 28.738 0.116 0.000 0.898 744 Q HN 0.253 nan 8.270 nan 0.000 0.426 745 L N -0.161 121.284 121.223 0.370 0.000 2.056 745 L HA -0.165 4.167 4.340 -0.013 0.000 0.207 745 L C 2.412 179.486 176.870 0.339 0.000 1.078 745 L CA 0.923 55.999 54.840 0.394 0.000 0.749 745 L CB -0.319 41.896 42.059 0.260 0.000 0.901 745 L HN 0.124 nan 8.230 nan 0.000 0.433 746 S N -0.327 115.523 115.700 0.250 0.000 2.387 746 S HA -0.127 4.335 4.470 -0.013 0.000 0.226 746 S C 2.094 176.799 174.600 0.174 0.000 1.026 746 S CA 1.415 59.735 58.200 0.200 0.000 0.972 746 S CB -0.163 63.135 63.200 0.163 0.000 0.814 746 S HN 0.586 nan 8.310 nan 0.000 0.477 747 S N 0.431 116.234 115.700 0.170 0.000 2.527 747 S HA 0.331 4.793 4.470 -0.013 0.000 0.222 747 S C 1.440 176.128 174.600 0.146 0.000 0.985 747 S CA 0.650 58.932 58.200 0.137 0.000 0.921 747 S CB -0.043 63.225 63.200 0.115 0.000 0.772 747 S HN 0.795 nan 8.310 nan 0.000 0.529 748 G N 0.679 109.597 108.800 0.197 0.000 2.134 748 G HA2 -0.280 3.672 3.960 -0.013 0.000 0.209 748 G HA3 -0.280 3.672 3.960 -0.013 0.000 0.209 748 G C 0.185 175.181 174.900 0.160 0.000 0.993 748 G CA 0.072 45.277 45.100 0.175 0.000 0.669 748 G HN 0.526 nan 8.290 nan 0.000 0.519 749 F N 0.230 120.183 119.950 0.005 0.000 2.161 749 F HA 0.157 4.676 4.527 -0.013 0.000 0.300 749 F C 1.803 177.418 175.800 -0.308 0.000 1.089 749 F CA 1.855 59.737 58.000 -0.197 0.000 1.282 749 F CB -0.017 38.782 39.000 -0.337 0.000 1.010 749 F HN 0.164 nan 8.300 nan 0.000 0.485 750 F N 0.008 120.008 119.950 0.084 0.000 2.660 750 F HA 0.202 4.721 4.527 -0.013 0.000 0.302 750 F C 0.569 176.452 175.800 0.138 0.000 1.103 750 F CA 0.190 58.200 58.000 0.017 0.000 1.340 750 F CB -0.096 38.953 39.000 0.082 0.000 1.048 750 F HN -0.003 nan 8.300 nan 0.000 0.551 751 S N -1.491 114.321 115.700 0.187 0.000 2.708 751 S HA 0.217 4.679 4.470 -0.013 0.000 0.141 751 S C -2.253 172.352 174.600 0.009 0.000 1.349 751 S CA -0.814 57.428 58.200 0.069 0.000 1.206 751 S CB 0.565 63.742 63.200 -0.039 0.000 1.603 751 S HN -0.115 nan 8.310 nan 0.000 0.415 752 P HA -0.097 nan 4.420 nan 0.000 0.220 752 P C 0.934 178.225 177.300 -0.014 0.000 1.148 752 P CA 1.115 64.200 63.100 -0.025 0.000 0.803 752 P CB 0.070 31.734 31.700 -0.060 0.000 0.782 753 K N -0.790 119.599 120.400 -0.019 0.000 2.366 753 K HA -0.010 4.302 4.320 -0.013 0.000 0.198 753 K C 1.391 177.985 176.600 -0.010 0.000 1.044 753 K CA 0.538 56.817 56.287 -0.013 0.000 0.973 753 K CB 0.136 32.629 32.500 -0.012 0.000 0.767 753 K HN 0.169 nan 8.250 nan 0.000 0.475 754 Q N 0.173 119.963 119.800 -0.018 0.000 3.429 754 Q HA 0.145 4.477 4.340 -0.013 0.000 0.237 754 Q C -2.427 173.555 176.000 -0.030 0.000 0.932 754 Q CA -1.738 54.050 55.803 -0.026 0.000 0.731 754 Q CB 1.280 29.996 28.738 -0.036 0.000 1.383 754 Q HN -0.126 nan 8.270 nan 0.000 0.446 755 P HA -0.179 nan 4.420 nan 0.000 0.217 755 P C 0.502 177.826 177.300 0.040 0.000 1.148 755 P CA 1.373 64.493 63.100 0.033 0.000 0.828 755 P CB 0.216 31.941 31.700 0.041 0.000 0.783 756 D N -1.293 119.117 120.400 0.016 0.000 2.328 756 D HA -0.030 4.602 4.640 -0.013 0.000 0.221 756 D C 1.632 177.924 176.300 -0.014 0.000 1.072 756 D CA -0.139 53.879 54.000 0.029 0.000 0.850 756 D CB -0.839 39.981 40.800 0.034 0.000 0.922 756 D HN 0.017 nan 8.370 nan 0.000 0.516 757 L N -0.081 121.063 121.223 -0.132 0.000 2.043 757 L HA -0.074 4.258 4.340 -0.013 0.000 0.212 757 L C 1.237 177.898 176.870 -0.349 0.000 1.075 757 L CA 1.691 56.333 54.840 -0.329 0.000 0.752 757 L CB -0.639 41.028 42.059 -0.654 0.000 0.891 757 L HN 0.012 nan 8.230 nan 0.000 0.432 758 F N -0.525 119.484 119.950 0.099 0.000 2.668 758 F HA 0.129 4.648 4.527 -0.013 0.000 0.297 758 F C 1.868 177.728 175.800 0.100 0.000 1.124 758 F CA -0.157 57.894 58.000 0.084 0.000 1.353 758 F CB -0.346 38.694 39.000 0.067 0.000 0.992 758 F HN 0.108 nan 8.300 nan 0.000 0.524 759 K N -0.201 120.322 120.400 0.206 0.000 2.103 759 K HA -0.202 4.110 4.320 -0.013 0.000 0.207 759 K C 0.879 177.591 176.600 0.187 0.000 1.048 759 K CA 2.051 58.444 56.287 0.177 0.000 0.930 759 K CB -0.289 32.287 32.500 0.127 0.000 0.716 759 K HN 0.114 nan 8.250 nan 0.000 0.444 760 D N 1.327 121.848 120.400 0.202 0.000 2.117 760 D HA -0.068 4.564 4.640 -0.013 0.000 0.198 760 D C 2.114 178.531 176.300 0.195 0.000 0.982 760 D CA 1.109 55.236 54.000 0.211 0.000 0.828 760 D CB -0.151 40.818 40.800 0.282 0.000 0.967 760 D HN 0.314 nan 8.370 nan 0.000 0.464 761 I N 0.603 121.288 120.570 0.192 0.000 2.179 761 I HA -0.224 3.938 4.170 -0.013 0.000 0.242 761 I C 2.457 178.652 176.117 0.130 0.000 1.088 761 I CA 0.644 62.029 61.300 0.142 0.000 1.357 761 I CB -0.285 37.783 38.000 0.115 0.000 1.051 761 I HN -0.115 nan 8.210 nan 0.000 0.409 762 V N 1.327 121.337 119.914 0.159 0.000 2.287 762 V HA -0.318 3.794 4.120 -0.013 0.000 0.248 762 V C 2.296 178.451 176.094 0.101 0.000 1.053 762 V CA 2.483 64.867 62.300 0.140 0.000 1.027 762 V CB -1.002 30.920 31.823 0.165 0.000 0.646 762 V HN 0.497 nan 8.190 nan 0.000 0.447 763 N N -0.038 118.757 118.700 0.158 0.000 2.069 763 N HA -0.237 4.495 4.740 -0.013 0.000 0.191 763 N C 1.853 177.499 175.510 0.227 0.000 1.031 763 N CA 2.083 55.273 53.050 0.233 0.000 0.852 763 N CB -0.318 38.329 38.487 0.267 0.000 1.018 763 N HN 0.352 nan 8.380 nan 0.000 0.423 764 M N 0.210 119.930 119.600 0.200 0.000 2.086 764 M HA -0.084 4.388 4.480 -0.013 0.000 0.261 764 M C 1.798 178.125 176.300 0.046 0.000 1.067 764 M CA 1.345 56.764 55.300 0.198 0.000 1.116 764 M CB -0.730 31.980 32.600 0.184 0.000 1.348 764 M HN 0.296 nan 8.290 nan 0.000 0.407 765 L N -0.126 121.063 121.223 -0.056 0.000 2.046 765 L HA -0.260 4.072 4.340 -0.013 0.000 0.208 765 L C 2.588 179.163 176.870 -0.493 0.000 1.077 765 L CA 1.038 55.691 54.840 -0.311 0.000 0.747 765 L CB -0.635 41.244 42.059 -0.300 0.000 0.896 765 L HN 0.313 nan 8.230 nan 0.000 0.432 766 M N -1.454 117.926 119.600 -0.367 0.000 2.288 766 M HA -0.090 4.382 4.480 -0.013 0.000 0.266 766 M C 1.753 177.610 176.300 -0.738 0.000 1.072 766 M CA 1.702 56.654 55.300 -0.579 0.000 1.132 766 M CB -0.740 31.404 32.600 -0.759 0.000 1.386 766 M HN 0.338 nan 8.290 nan 0.000 0.432 767 H N -3.064 115.884 119.070 -0.204 0.000 3.643 767 H HA 0.244 4.792 4.556 -0.013 0.000 0.256 767 H C 0.144 175.089 175.328 -0.638 0.000 1.107 767 H CA 0.352 56.138 56.048 -0.437 0.000 1.175 767 H CB 0.418 29.840 29.762 -0.567 0.000 1.519 767 H HN 0.493 nan 8.280 nan 0.000 0.565 768 H N 0.192 119.329 119.070 0.112 0.000 2.790 768 H HA 0.148 4.696 4.556 -0.013 0.000 0.232 768 H C -0.733 174.639 175.328 0.073 0.000 1.313 768 H CA -0.296 55.811 56.048 0.098 0.000 1.011 768 H CB 0.956 30.782 29.762 0.107 0.000 2.105 768 H HN -0.017 nan 8.280 nan 0.000 0.580 769 D N 0.945 121.421 120.400 0.125 0.000 2.428 769 D HA 0.122 4.754 4.640 -0.013 0.000 0.221 769 D C 0.988 177.255 176.300 -0.056 0.000 1.123 769 D CA -0.293 53.751 54.000 0.072 0.000 0.869 769 D CB 0.620 41.443 40.800 0.039 0.000 1.032 769 D HN 0.288 nan 8.370 nan 0.000 0.506 770 R N 2.255 122.625 120.500 -0.216 0.000 2.237 770 R HA -0.041 4.291 4.340 -0.013 0.000 0.219 770 R C 0.553 176.360 176.300 -0.822 0.000 1.080 770 R CA 0.902 56.638 56.100 -0.606 0.000 0.995 770 R CB 0.133 29.832 30.300 -1.003 0.000 0.875 770 R HN 0.415 nan 8.270 nan 0.000 0.462 771 F N 0.017 119.919 119.950 -0.081 0.000 2.688 771 F HA 0.270 4.789 4.527 -0.013 0.000 0.310 771 F C 0.073 175.742 175.800 -0.219 0.000 1.098 771 F CA -0.639 57.301 58.000 -0.100 0.000 1.228 771 F CB 0.328 39.334 39.000 0.009 0.000 1.042 771 F HN -0.257 nan 8.300 nan 0.000 0.557 772 K N -0.318 119.873 120.400 -0.348 0.000 3.150 772 K HA -0.174 4.138 4.320 -0.013 0.000 0.267 772 K C 0.960 177.423 176.600 -0.229 0.000 1.028 772 K CA 0.214 56.085 56.287 -0.693 0.000 0.753 772 K CB -1.912 30.128 32.500 -0.766 0.000 1.288 772 K HN 0.201 nan 8.250 nan 0.000 0.473 773 V N 0.029 119.904 119.914 -0.064 0.000 2.252 773 V HA -0.299 3.813 4.120 -0.013 0.000 0.249 773 V C 1.953 178.197 176.094 0.250 0.000 1.056 773 V CA 2.391 64.745 62.300 0.089 0.000 1.022 773 V CB -0.501 31.385 31.823 0.104 0.000 0.641 773 V HN 0.498 nan 8.190 nan 0.000 0.445 774 F N 0.210 120.178 119.950 0.031 0.000 2.202 774 F HA -0.222 4.297 4.527 -0.013 0.000 0.301 774 F C 2.484 178.107 175.800 -0.295 0.000 1.082 774 F CA 0.683 58.658 58.000 -0.042 0.000 1.313 774 F CB -0.349 38.652 39.000 0.001 0.000 1.024 774 F HN 0.210 nan 8.300 nan 0.000 0.495 775 A N -0.686 121.974 122.820 -0.266 0.000 2.067 775 A HA -0.171 4.141 4.320 -0.013 0.000 0.219 775 A C 1.379 178.957 177.584 -0.009 0.000 1.158 775 A CA 1.706 53.482 52.037 -0.434 0.000 0.661 775 A CB -0.382 18.486 19.000 -0.218 0.000 0.801 775 A HN 0.222 nan 8.150 nan 0.000 0.452 776 D N -2.827 117.631 120.400 0.098 0.000 2.398 776 D HA 0.100 4.732 4.640 -0.013 0.000 0.210 776 D C 1.089 177.557 176.300 0.280 0.000 1.094 776 D CA -0.111 54.020 54.000 0.219 0.000 0.839 776 D CB -0.119 40.824 40.800 0.238 0.000 0.963 776 D HN 0.573 nan 8.370 nan 0.000 0.506 777 Y N 2.103 122.493 120.300 0.149 0.000 2.097 777 Y HA -0.223 4.319 4.550 -0.013 0.000 0.282 777 Y C 2.038 178.022 175.900 0.139 0.000 1.152 777 Y CA 1.903 60.099 58.100 0.159 0.000 1.136 777 Y CB 0.249 38.771 38.460 0.105 0.000 0.975 777 Y HN -0.099 nan 8.280 nan 0.000 0.498 778 E N -0.104 120.161 120.200 0.109 0.000 2.051 778 E HA -0.219 4.123 4.350 -0.013 0.000 0.192 778 E C 2.160 178.733 176.600 -0.045 0.000 0.991 778 E CA 1.423 57.815 56.400 -0.013 0.000 0.799 778 E CB -0.163 29.623 29.700 0.144 0.000 0.748 778 E HN 0.624 nan 8.360 nan 0.000 0.449 779 E N 0.024 120.271 120.200 0.078 0.000 2.110 779 E HA -0.201 4.141 4.350 -0.013 0.000 0.193 779 E C 1.958 178.555 176.600 -0.005 0.000 0.988 779 E CA 0.791 57.259 56.400 0.113 0.000 0.804 779 E CB -0.163 29.693 29.700 0.258 0.000 0.745 779 E HN 0.269 nan 8.360 nan 0.000 0.458 780 Y N 1.506 121.626 120.300 -0.300 0.000 2.145 780 Y HA -0.228 4.314 4.550 -0.013 0.000 0.286 780 Y C 2.197 177.704 175.900 -0.655 0.000 1.145 780 Y CA 0.967 58.568 58.100 -0.833 0.000 1.148 780 Y CB -0.502 37.523 38.460 -0.726 0.000 0.981 780 Y HN -0.212 nan 8.280 nan 0.000 0.507 781 V N 0.514 120.080 119.914 -0.579 0.000 2.343 781 V HA -0.316 3.796 4.120 -0.013 0.000 0.247 781 V C 2.271 178.136 176.094 -0.382 0.000 1.051 781 V CA 2.363 64.328 62.300 -0.558 0.000 1.036 781 V CB -0.581 30.940 31.823 -0.503 0.000 0.654 781 V HN 0.311 nan 8.190 nan 0.000 0.451 782 K N -0.888 119.359 120.400 -0.256 0.000 2.057 782 K HA -0.198 4.114 4.320 -0.013 0.000 0.207 782 K C 2.288 178.808 176.600 -0.132 0.000 1.049 782 K CA 1.679 57.883 56.287 -0.139 0.000 0.931 782 K CB -0.613 31.852 32.500 -0.058 0.000 0.714 782 K HN 0.515 nan 8.250 nan 0.000 0.440 783 C N 1.410 120.606 119.300 -0.173 0.000 2.425 783 C HA -0.096 4.356 4.460 -0.013 0.000 0.277 783 C C 2.622 177.467 174.990 -0.243 0.000 1.280 783 C CA 0.821 59.777 59.018 -0.104 0.000 1.744 783 C CB -0.632 27.062 27.740 -0.077 0.000 1.989 783 C HN 0.429 nan 8.230 nan 0.000 0.491 784 Q N 0.460 119.956 119.800 -0.507 0.000 2.170 784 Q HA -0.161 4.171 4.340 -0.013 0.000 0.203 784 Q C 1.999 177.818 176.000 -0.301 0.000 0.976 784 Q CA 1.592 57.051 55.803 -0.572 0.000 0.858 784 Q CB -0.412 27.707 28.738 -1.032 0.000 0.907 784 Q HN 0.758 nan 8.270 nan 0.000 0.433 785 E N 0.270 120.350 120.200 -0.200 0.000 2.077 785 E HA -0.160 4.182 4.350 -0.013 0.000 0.193 785 E C 2.076 178.657 176.600 -0.033 0.000 0.989 785 E CA 0.735 57.079 56.400 -0.092 0.000 0.800 785 E CB -0.043 29.619 29.700 -0.063 0.000 0.746 785 E HN 0.274 nan 8.360 nan 0.000 0.452 786 R N 0.463 120.965 120.500 0.004 0.000 2.115 786 R HA -0.068 4.264 4.340 -0.013 0.000 0.230 786 R C 2.449 178.856 176.300 0.178 0.000 1.111 786 R CA 0.853 57.043 56.100 0.150 0.000 0.976 786 R CB -0.366 30.090 30.300 0.260 0.000 0.870 786 R HN 0.067 nan 8.270 nan 0.000 0.445 787 V N 0.891 120.684 119.914 -0.201 0.000 2.255 787 V HA -0.273 3.839 4.120 -0.013 0.000 0.247 787 V C 2.243 178.340 176.094 0.005 0.000 1.051 787 V CA 2.099 64.128 62.300 -0.452 0.000 1.018 787 V CB -0.466 30.950 31.823 -0.678 0.000 0.641 787 V HN 0.287 nan 8.190 nan 0.000 0.445 788 S N 0.001 115.669 115.700 -0.052 0.000 2.368 788 S HA -0.171 4.292 4.470 -0.013 0.000 0.225 788 S C 2.225 176.891 174.600 0.111 0.000 1.030 788 S CA 1.390 59.585 58.200 -0.008 0.000 0.999 788 S CB -0.544 62.617 63.200 -0.064 0.000 0.844 788 S HN 0.659 nan 8.310 nan 0.000 0.459 789 A N 1.251 124.144 122.820 0.122 0.000 1.908 789 A HA -0.091 4.221 4.320 -0.013 0.000 0.218 789 A C 2.127 179.839 177.584 0.215 0.000 1.181 789 A CA 1.490 53.619 52.037 0.154 0.000 0.627 789 A CB -0.715 18.366 19.000 0.134 0.000 0.818 789 A HN 0.420 nan 8.150 nan 0.000 0.445 790 L N -2.117 119.298 121.223 0.321 0.000 2.093 790 L HA -0.064 4.269 4.340 -0.013 0.000 0.208 790 L C 2.252 179.408 176.870 0.477 0.000 1.085 790 L CA 1.880 56.976 54.840 0.427 0.000 0.755 790 L CB -0.767 41.649 42.059 0.595 0.000 0.904 790 L HN 0.502 nan 8.230 nan 0.000 0.435 791 Y N 0.346 120.798 120.300 0.253 0.000 2.333 791 Y HA -0.245 4.298 4.550 -0.012 0.000 0.290 791 Y C 2.296 178.141 175.900 -0.091 0.000 1.144 791 Y CA 1.656 59.644 58.100 -0.186 0.000 1.228 791 Y CB -0.077 38.048 38.460 -0.559 0.000 0.985 791 Y HN 0.174 nan 8.280 nan 0.000 0.542 792 K N -0.178 120.301 120.400 0.131 0.000 2.360 792 K HA -0.159 4.153 4.320 -0.013 0.000 0.201 792 K C 0.393 177.001 176.600 0.013 0.000 1.046 792 K CA 0.830 57.171 56.287 0.091 0.000 0.945 792 K CB -0.147 32.439 32.500 0.144 0.000 0.750 792 K HN 0.080 nan 8.250 nan 0.000 0.464 793 N N 0.565 119.284 118.700 0.032 0.000 2.816 793 N HA 0.125 4.857 4.740 -0.013 0.000 0.236 793 N C -2.414 173.103 175.510 0.011 0.000 1.076 793 N CA -2.194 50.872 53.050 0.028 0.000 0.902 793 N CB 1.264 39.796 38.487 0.075 0.000 1.149 793 N HN -0.200 nan 8.380 nan 0.000 0.506 794 P HA -0.172 nan 4.420 nan 0.000 0.216 794 P C 1.397 178.703 177.300 0.010 0.000 1.153 794 P CA 1.166 64.198 63.100 -0.114 0.000 0.858 794 P CB 0.394 32.007 31.700 -0.145 0.000 0.789 795 R N -0.012 120.496 120.500 0.013 0.000 2.073 795 R HA -0.157 4.175 4.340 -0.013 0.000 0.234 795 R C 1.959 178.294 176.300 0.059 0.000 1.134 795 R CA 1.463 57.581 56.100 0.030 0.000 0.952 795 R CB -0.388 29.922 30.300 0.018 0.000 0.850 795 R HN 0.064 nan 8.270 nan 0.000 0.433 796 E N -0.034 120.212 120.200 0.076 0.000 2.152 796 E HA -0.208 4.135 4.350 -0.013 0.000 0.192 796 E C 1.553 178.219 176.600 0.110 0.000 0.983 796 E CA 0.596 57.044 56.400 0.079 0.000 0.818 796 E CB -0.454 29.291 29.700 0.076 0.000 0.758 796 E HN 0.504 nan 8.360 nan 0.000 0.467 797 W N 2.147 123.435 121.300 -0.020 0.000 2.333 797 W HA -0.216 4.435 4.660 -0.014 0.000 0.316 797 W C 1.663 178.171 176.519 -0.018 0.000 1.215 797 W CA 2.273 59.613 57.345 -0.009 0.000 1.278 797 W CB -0.491 28.920 29.460 -0.082 0.000 1.154 797 W HN 0.048 nan 8.180 nan 0.000 0.486 798 T N 1.116 115.787 114.554 0.194 0.000 2.788 798 T HA -0.181 4.161 4.350 -0.013 0.000 0.268 798 T C 1.866 176.564 174.700 -0.004 0.000 1.044 798 T CA 1.721 63.869 62.100 0.080 0.000 1.139 798 T CB -0.336 68.567 68.868 0.058 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.417 120.923 120.500 0.010 0.000 2.096 799 R HA 0.075 4.407 4.340 -0.013 0.000 0.235 799 R C 2.518 178.799 176.300 -0.031 0.000 1.127 799 R CA 1.257 57.364 56.100 0.011 0.000 0.968 799 R CB -0.354 29.960 30.300 0.023 0.000 0.861 799 R HN 0.372 nan 8.270 nan 0.000 0.440 800 M N 0.531 120.074 119.600 -0.096 0.000 2.229 800 M HA -0.131 4.341 4.480 -0.013 0.000 0.264 800 M C 1.909 178.094 176.300 -0.191 0.000 1.063 800 M CA 1.321 56.524 55.300 -0.162 0.000 1.114 800 M CB 0.196 32.645 32.600 -0.252 0.000 1.387 800 M HN -0.025 nan 8.290 nan 0.000 0.420 801 V N 0.936 120.716 119.914 -0.224 0.000 2.295 801 V HA -0.313 3.799 4.120 -0.013 0.000 0.246 801 V C 2.229 178.286 176.094 -0.061 0.000 1.049 801 V CA 2.053 64.249 62.300 -0.173 0.000 1.024 801 V CB -0.615 31.127 31.823 -0.135 0.000 0.648 801 V HN 0.510 nan 8.190 nan 0.000 0.447 802 I N -0.373 120.190 120.570 -0.011 0.000 2.194 802 I HA -0.307 3.855 4.170 -0.013 0.000 0.246 802 I C 2.699 178.864 176.117 0.080 0.000 1.093 802 I CA 1.743 63.095 61.300 0.086 0.000 1.355 802 I CB -0.461 37.643 38.000 0.174 0.000 1.046 802 I HN 0.242 nan 8.210 nan 0.000 0.413 803 R N 0.428 120.949 120.500 0.036 0.000 2.152 803 R HA -0.115 4.217 4.340 -0.013 0.000 0.232 803 R C 2.008 178.339 176.300 0.052 0.000 1.117 803 R CA 1.152 57.274 56.100 0.038 0.000 0.981 803 R CB -0.439 29.868 30.300 0.011 0.000 0.870 803 R HN 0.548 nan 8.270 nan 0.000 0.451 804 N N 0.664 119.374 118.700 0.017 0.000 2.148 804 N HA -0.055 4.677 4.740 -0.013 0.000 0.186 804 N C 1.976 177.536 175.510 0.083 0.000 1.031 804 N CA 1.035 54.111 53.050 0.044 0.000 0.848 804 N CB -0.011 38.429 38.487 -0.079 0.000 1.005 804 N HN 0.102 nan 8.380 nan 0.000 0.427 805 I N 1.786 122.392 120.570 0.059 0.000 2.151 805 I HA -0.260 3.902 4.170 -0.013 0.000 0.243 805 I C 2.461 178.631 176.117 0.088 0.000 1.080 805 I CA 1.055 62.400 61.300 0.076 0.000 1.339 805 I CB -0.371 37.667 38.000 0.065 0.000 1.039 805 I HN 0.093 nan 8.210 nan 0.000 0.409 806 A N 0.256 123.129 122.820 0.088 0.000 2.070 806 A HA -0.176 4.136 4.320 -0.013 0.000 0.220 806 A C 2.057 179.686 177.584 0.076 0.000 1.159 806 A CA 2.132 54.213 52.037 0.073 0.000 0.656 806 A CB -0.885 18.161 19.000 0.077 0.000 0.800 806 A HN 0.563 nan 8.150 nan 0.000 0.453 807 T N -3.227 111.392 114.554 0.108 0.000 3.182 807 T HA 0.191 4.533 4.350 -0.013 0.000 0.277 807 T C 1.157 175.975 174.700 0.198 0.000 1.013 807 T CA 0.621 62.795 62.100 0.123 0.000 0.900 807 T CB -0.164 68.781 68.868 0.129 0.000 1.098 807 T HN 0.488 nan 8.240 nan 0.000 0.543 808 S N 0.287 116.116 115.700 0.214 0.000 2.562 808 S HA 0.224 4.686 4.470 -0.013 0.000 0.221 808 S C 2.223 176.986 174.600 0.272 0.000 0.975 808 S CA 0.338 58.743 58.200 0.342 0.000 0.918 808 S CB -0.703 62.649 63.200 0.254 0.000 0.772 808 S HN 0.530 nan 8.310 nan 0.000 0.531 809 G N 2.712 111.582 108.800 0.118 0.000 2.469 809 G HA2 -0.309 3.643 3.960 -0.013 0.000 0.219 809 G HA3 -0.309 3.643 3.960 -0.013 0.000 0.219 809 G C 1.323 176.185 174.900 -0.063 0.000 1.150 809 G CA 1.087 46.214 45.100 0.045 0.000 0.763 809 G HN 0.610 nan 8.290 nan 0.000 0.561 810 K N -0.147 120.097 120.400 -0.260 0.000 2.218 810 K HA -0.077 4.235 4.320 -0.013 0.000 0.205 810 K C 1.355 177.624 176.600 -0.552 0.000 1.046 810 K CA 0.969 56.943 56.287 -0.522 0.000 0.933 810 K CB -0.282 31.702 32.500 -0.859 0.000 0.728 810 K HN 0.422 nan 8.250 nan 0.000 0.454 811 F N 0.802 120.785 119.950 0.056 0.000 2.664 811 F HA 0.149 4.667 4.527 -0.014 0.000 0.301 811 F C 0.811 176.659 175.800 0.080 0.000 1.126 811 F CA -0.564 57.475 58.000 0.064 0.000 1.373 811 F CB 0.347 39.382 39.000 0.057 0.000 1.042 811 F HN -0.132 nan 8.300 nan 0.000 0.535 812 S N 0.477 116.265 115.700 0.146 0.000 2.531 812 S HA 0.036 4.498 4.470 -0.013 0.000 0.279 812 S C 1.513 176.199 174.600 0.142 0.000 1.305 812 S CA -0.061 58.220 58.200 0.136 0.000 1.058 812 S CB 0.703 63.955 63.200 0.086 0.000 0.899 812 S HN 0.391 nan 8.310 nan 0.000 0.493 813 S N 3.369 119.180 115.700 0.186 0.000 2.474 813 S HA -0.092 4.370 4.470 -0.013 0.000 0.235 813 S C 1.005 175.673 174.600 0.114 0.000 0.997 813 S CA 0.835 59.171 58.200 0.227 0.000 0.949 813 S CB -0.363 63.041 63.200 0.340 0.000 0.766 813 S HN 0.791 nan 8.310 nan 0.000 0.517 814 D N 1.945 122.392 120.400 0.079 0.000 2.117 814 D HA -0.096 4.536 4.640 -0.013 0.000 0.197 814 D C 2.106 178.415 176.300 0.016 0.000 0.987 814 D CA 0.883 54.905 54.000 0.037 0.000 0.829 814 D CB -0.362 40.457 40.800 0.030 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.460 815 R N 0.742 121.253 120.500 0.017 0.000 2.073 815 R HA -0.095 4.238 4.340 -0.013 0.000 0.234 815 R C 1.934 178.226 176.300 -0.015 0.000 1.134 815 R CA 1.481 57.575 56.100 -0.011 0.000 0.952 815 R CB -0.815 29.464 30.300 -0.036 0.000 0.850 815 R HN 0.139 nan 8.270 nan 0.000 0.433 816 T N 2.220 116.790 114.554 0.027 0.000 2.652 816 T HA -0.137 4.205 4.350 -0.013 0.000 0.267 816 T C 1.935 176.633 174.700 -0.003 0.000 1.039 816 T CA 1.453 63.584 62.100 0.053 0.000 1.153 816 T CB -0.145 68.846 68.868 0.205 0.000 0.863 816 T HN 0.108 nan 8.240 nan 0.000 0.428 817 I N 1.632 122.137 120.570 -0.109 0.000 2.315 817 I HA -0.090 4.072 4.170 -0.013 0.000 0.248 817 I C 2.933 179.007 176.117 -0.071 0.000 1.117 817 I CA 0.959 62.156 61.300 -0.171 0.000 1.404 817 I CB -1.633 36.265 38.000 -0.169 0.000 1.071 817 I HN 0.197 nan 8.210 nan 0.000 0.419 818 A N 0.148 122.945 122.820 -0.039 0.000 1.940 818 A HA -0.253 4.059 4.320 -0.013 0.000 0.219 818 A C 2.261 179.802 177.584 -0.072 0.000 1.176 818 A CA 1.558 53.578 52.037 -0.028 0.000 0.631 818 A CB -0.583 18.407 19.000 -0.018 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.866 117.867 119.800 -0.111 0.000 2.046 819 Q HA -0.176 4.156 4.340 -0.013 0.000 0.200 819 Q C 1.972 177.788 176.000 -0.307 0.000 0.975 819 Q CA 1.680 57.373 55.803 -0.183 0.000 0.836 819 Q CB -0.316 28.301 28.738 -0.201 0.000 0.896 819 Q HN 0.818 nan 8.270 nan 0.000 0.428 820 Y N 0.545 120.547 120.300 -0.497 0.000 2.114 820 Y HA -0.319 4.223 4.550 -0.014 0.000 0.282 820 Y C 2.447 177.762 175.900 -0.974 0.000 1.165 820 Y CA 1.394 58.931 58.100 -0.938 0.000 1.148 820 Y CB -0.473 37.105 38.460 -1.470 0.000 0.972 820 Y HN 0.176 nan 8.280 nan 0.000 0.504 821 A N 0.192 122.793 122.820 -0.366 0.000 1.858 821 A HA -0.218 4.094 4.320 -0.013 0.000 0.216 821 A C 2.235 179.842 177.584 0.039 0.000 1.190 821 A CA 2.040 54.118 52.037 0.069 0.000 0.617 821 A CB -0.565 18.546 19.000 0.185 0.000 0.827 821 A HN 0.437 nan 8.150 nan 0.000 0.443 822 R N -0.701 119.778 120.500 -0.034 0.000 2.093 822 R HA -0.012 4.320 4.340 -0.013 0.000 0.224 822 R C 1.820 178.099 176.300 -0.034 0.000 1.101 822 R CA 1.438 57.528 56.100 -0.016 0.000 0.979 822 R CB -0.138 30.146 30.300 -0.026 0.000 0.877 822 R HN 0.655 nan 8.270 nan 0.000 0.441 823 E N -0.541 119.597 120.200 -0.104 0.000 2.364 823 E HA 0.098 4.440 4.350 -0.013 0.000 0.196 823 E C 1.373 177.925 176.600 -0.079 0.000 0.990 823 E CA 0.448 56.789 56.400 -0.098 0.000 0.886 823 E CB 0.559 30.169 29.700 -0.150 0.000 0.866 823 E HN 0.275 nan 8.360 nan 0.000 0.493 824 I N -1.164 119.329 120.570 -0.129 0.000 3.739 824 I HA 0.020 4.182 4.170 -0.013 0.000 0.272 824 I C 1.297 177.563 176.117 0.249 0.000 1.167 824 I CA -0.102 61.189 61.300 -0.016 0.000 1.386 824 I CB 0.224 38.081 38.000 -0.240 0.000 1.490 824 I HN 0.102 nan 8.210 nan 0.000 0.452 825 W N 1.582 122.978 121.300 0.160 0.000 2.584 825 W HA 0.289 4.941 4.660 -0.013 0.000 0.264 825 W C 1.572 178.131 176.519 0.066 0.000 1.264 825 W CA 0.875 58.296 57.345 0.128 0.000 1.306 825 W CB -1.186 28.339 29.460 0.108 0.000 1.110 825 W HN 0.341 nan 8.180 nan 0.000 0.606 826 G N 1.051 109.993 108.800 0.237 0.000 2.246 826 G HA2 -0.140 3.812 3.960 -0.013 0.000 0.273 826 G HA3 -0.140 3.812 3.960 -0.013 0.000 0.273 826 G C -0.225 174.751 174.900 0.126 0.000 1.055 826 G CA 0.295 45.475 45.100 0.133 0.000 0.851 826 G HN 0.401 nan 8.290 nan 0.000 0.500 827 V N -3.257 116.757 119.914 0.165 0.000 2.823 827 V HA 0.913 5.025 4.120 -0.013 0.000 0.312 827 V C -0.214 175.945 176.094 0.107 0.000 1.072 827 V CA -1.434 60.943 62.300 0.128 0.000 0.937 827 V CB 2.234 34.141 31.823 0.140 0.000 1.013 827 V HN 0.403 nan 8.190 nan 0.000 0.430 828 E N 5.381 125.626 120.200 0.075 0.000 2.115 828 E HA 0.578 4.921 4.350 -0.013 0.000 0.282 828 E C -2.383 174.256 176.600 0.065 0.000 0.987 828 E CA -1.997 54.440 56.400 0.061 0.000 0.797 828 E CB 1.230 30.957 29.700 0.045 0.000 1.086 828 E HN 0.780 nan 8.360 nan 0.000 0.397 829 P HA 0.140 nan 4.420 nan 0.000 0.272 829 P C -0.936 176.394 177.300 0.050 0.000 1.223 829 P CA -0.473 62.664 63.100 0.062 0.000 0.784 829 P CB 1.247 32.979 31.700 0.054 0.000 0.923 830 S N 0.906 116.637 115.700 0.052 0.000 2.603 830 S HA 0.281 4.743 4.470 -0.013 0.000 0.274 830 S C 0.418 175.043 174.600 0.041 0.000 1.168 830 S CA -0.709 57.519 58.200 0.045 0.000 0.963 830 S CB 0.756 63.987 63.200 0.052 0.000 1.078 830 S HN 0.224 nan 8.310 nan 0.000 0.477 831 R N 1.974 122.495 120.500 0.034 0.000 2.335 831 R HA 0.140 4.473 4.340 -0.013 0.000 0.223 831 R C 0.338 176.650 176.300 0.020 0.000 0.940 831 R CA -0.048 56.071 56.100 0.031 0.000 1.086 831 R CB -0.538 29.781 30.300 0.033 0.000 1.073 831 R HN 0.630 nan 8.270 nan 0.000 0.504 832 Q N 1.575 121.386 119.800 0.018 0.000 2.311 832 Q HA 0.024 4.356 4.340 -0.013 0.000 0.272 832 Q C -0.298 175.694 176.000 -0.013 0.000 1.012 832 Q CA 0.266 56.073 55.803 0.006 0.000 0.891 832 Q CB 0.461 29.207 28.738 0.013 0.000 1.201 832 Q HN -0.036 nan 8.270 nan 0.000 0.391 833 R N 2.793 123.278 120.500 -0.025 0.000 2.594 833 R HA 0.232 4.564 4.340 -0.013 0.000 0.272 833 R C -0.710 175.550 176.300 -0.067 0.000 1.074 833 R CA -0.446 55.627 56.100 -0.045 0.000 1.105 833 R CB 0.379 30.653 30.300 -0.043 0.000 1.008 833 R HN 0.551 nan 8.270 nan 0.000 0.472 834 L N 5.200 126.368 121.223 -0.091 0.000 2.379 834 L HA 0.428 4.761 4.340 -0.013 0.000 0.269 834 L C -1.837 174.982 176.870 -0.086 0.000 1.084 834 L CA -1.959 52.806 54.840 -0.126 0.000 0.802 834 L CB 0.893 42.846 42.059 -0.176 0.000 1.175 834 L HN 0.637 nan 8.230 nan 0.000 0.448 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 835 P CB 0.000 31.678 31.700 -0.037 0.000 0.726