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 2xq2_1_A DATA FIRST_RESID 9 DATA SEQUENCE SFIDIMVFAI YVAIIIGVGL WVXXXXXXXX XXXXXXXXXX XSLPWWAVGA DATA SEQUENCE SLIAANISAE QFIGMSGSGY SIGLAIASYE WMSAITLIIV GKYFLPIFIE DATA SEQUENCE KGIYTIPEFV EKRFNKKLKT ILAVFWISLY IFVNLTSVLY LGGLALETIL DATA SEQUENCE GIPLMYSILG LALFALVYSI YGGXXXVVWT DVIQVFFLVL GGFMTTYMAV DATA SEQUENCE SFIGGTDGWF AGVSKMVDAA PGHFEMILDQ SNPQYMNLPG IAVLIGGLWV DATA SEQUENCE ANLYYWGFNQ YIIQRTLAAK SVSEAQKGIV FAAFLALIVP FLVVLPGIAA DATA SEQUENCE YVITSDPQLM ASLGXXXXXN LPSAANADKA YPWLTQFLPV GVKGVVFAAL DATA SEQUENCE AAAIVSSLAS MLNSTATIFT MDIYKEYISP DSGDHKLVNV GRTAAVVALI DATA SEQUENCE IAALIAPMLG GIGQCFQYIQ EYTGLVSPGI LAVFLLGLFW KKTTSKGAII DATA SEQUENCE GVVASIPFAL FLKFMPLSMP FMDQMLYTLL FTMVVIAFTS LSTSINDDDP DATA SEQUENCE KGISVTSSMF VTDRSFNIAA YGIMIVLAVL YTLFWVNADA EITLIIFGVM DATA SEQUENCE AGVIGTILLI SYGIK 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.617 174.600 0.027 0.000 1.055 9 S CA 0.000 58.221 58.200 0.035 0.000 1.107 9 S CB 0.000 63.150 63.200 -0.083 0.000 0.593 10 F N 1.207 121.134 119.950 -0.037 0.000 2.094 10 F HA 0.269 4.795 4.527 -0.001 0.000 0.291 10 F C 2.299 178.094 175.800 -0.009 0.000 1.109 10 F CA 1.189 59.176 58.000 -0.023 0.000 1.221 10 F CB -0.256 38.733 39.000 -0.019 0.000 1.014 10 F HN 0.290 nan 8.300 nan 0.000 0.473 11 I N -0.204 120.485 120.570 0.198 0.000 2.264 11 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 11 I C 2.224 178.393 176.117 0.087 0.000 1.111 11 I CA 1.307 62.674 61.300 0.112 0.000 1.382 11 I CB -0.513 37.533 38.000 0.076 0.000 1.060 11 I HN 0.219 nan 8.210 nan 0.000 0.418 12 D N 1.294 121.735 120.400 0.069 0.000 2.103 12 D HA -0.209 4.430 4.640 -0.001 0.000 0.190 12 D C 2.218 178.562 176.300 0.073 0.000 0.997 12 D CA 1.863 55.892 54.000 0.048 0.000 0.833 12 D CB -0.024 40.773 40.800 -0.006 0.000 0.961 12 D HN 0.319 nan 8.370 nan 0.000 0.447 13 I N 0.723 121.302 120.570 0.017 0.000 2.394 13 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 13 I C 2.664 178.854 176.117 0.122 0.000 1.136 13 I CA 0.460 61.768 61.300 0.013 0.000 1.425 13 I CB -0.235 37.709 38.000 -0.094 0.000 1.079 13 I HN 0.105 nan 8.210 nan 0.000 0.425 14 M N 0.476 120.136 119.600 0.099 0.000 2.132 14 M HA -0.157 4.323 4.480 -0.001 0.000 0.263 14 M C 2.330 178.702 176.300 0.119 0.000 1.065 14 M CA 1.771 57.133 55.300 0.103 0.000 1.122 14 M CB 0.075 32.728 32.600 0.088 0.000 1.365 14 M HN 0.066 nan 8.290 nan 0.000 0.411 15 V N 0.541 120.529 119.914 0.124 0.000 2.270 15 V HA -0.286 3.834 4.120 -0.001 0.000 0.245 15 V C 2.152 178.334 176.094 0.146 0.000 1.043 15 V CA 2.141 64.507 62.300 0.109 0.000 1.014 15 V CB -0.948 30.925 31.823 0.083 0.000 0.645 15 V HN 0.587 nan 8.190 nan 0.000 0.447 16 F N 1.701 121.670 119.950 0.032 0.000 2.043 16 F HA -0.338 4.188 4.527 -0.001 0.000 0.297 16 F C 2.302 178.141 175.800 0.065 0.000 1.118 16 F CA 2.321 60.347 58.000 0.042 0.000 1.202 16 F CB -0.614 38.433 39.000 0.079 0.000 0.965 16 F HN 0.092 nan 8.300 nan 0.000 0.482 17 A N 0.412 123.414 122.820 0.303 0.000 1.978 17 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 17 A C 2.266 179.868 177.584 0.031 0.000 1.170 17 A CA 1.987 54.118 52.037 0.156 0.000 0.636 17 A CB -1.240 17.875 19.000 0.192 0.000 0.810 17 A HN 0.596 nan 8.150 nan 0.000 0.448 18 I N -2.370 118.228 120.570 0.046 0.000 2.202 18 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 18 I C 2.415 178.518 176.117 -0.023 0.000 1.091 18 I CA 1.694 63.005 61.300 0.018 0.000 1.368 18 I CB -0.364 37.658 38.000 0.037 0.000 1.058 18 I HN 0.547 nan 8.210 nan 0.000 0.410 19 Y N 1.096 121.300 120.300 -0.161 0.000 2.114 19 Y HA -0.271 4.278 4.550 -0.001 0.000 0.284 19 Y C 2.493 178.255 175.900 -0.229 0.000 1.143 19 Y CA 1.904 59.867 58.100 -0.228 0.000 1.135 19 Y CB -0.383 37.880 38.460 -0.329 0.000 0.980 19 Y HN -0.143 nan 8.280 nan 0.000 0.499 20 V N 0.584 120.416 119.914 -0.136 0.000 2.380 20 V HA -0.383 3.736 4.120 -0.001 0.000 0.251 20 V C 2.598 178.591 176.094 -0.170 0.000 1.063 20 V CA 1.923 64.087 62.300 -0.227 0.000 1.055 20 V CB -1.565 29.997 31.823 -0.435 0.000 0.657 20 V HN 0.614 nan 8.190 nan 0.000 0.455 21 A N -0.378 122.367 122.820 -0.124 0.000 1.897 21 A HA -0.102 4.218 4.320 -0.001 0.000 0.215 21 A C 2.170 179.699 177.584 -0.091 0.000 1.181 21 A CA 1.572 53.559 52.037 -0.084 0.000 0.620 21 A CB -0.465 18.510 19.000 -0.043 0.000 0.821 21 A HN 0.484 nan 8.150 nan 0.000 0.443 22 I N -0.831 119.664 120.570 -0.125 0.000 2.163 22 I HA -0.262 3.908 4.170 -0.001 0.000 0.243 22 I C 2.314 178.342 176.117 -0.147 0.000 1.085 22 I CA 1.250 62.477 61.300 -0.123 0.000 1.347 22 I CB -0.244 37.658 38.000 -0.164 0.000 1.044 22 I HN 0.274 nan 8.210 nan 0.000 0.408 23 I N 0.664 121.081 120.570 -0.255 0.000 2.226 23 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 23 I C 2.241 178.307 176.117 -0.085 0.000 1.100 23 I CA 1.781 62.963 61.300 -0.197 0.000 1.374 23 I CB -0.184 37.652 38.000 -0.272 0.000 1.057 23 I HN 0.096 nan 8.210 nan 0.000 0.413 24 I N -0.574 119.944 120.570 -0.087 0.000 2.353 24 I HA -0.140 4.030 4.170 -0.001 0.000 0.248 24 I C 2.489 178.553 176.117 -0.089 0.000 1.119 24 I CA 1.170 62.419 61.300 -0.085 0.000 1.417 24 I CB -0.993 36.955 38.000 -0.087 0.000 1.078 24 I HN 0.278 nan 8.210 nan 0.000 0.421 25 G N 0.653 109.420 108.800 -0.056 0.000 2.404 25 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.215 25 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.215 25 G C 1.709 176.669 174.900 0.101 0.000 1.174 25 G CA 0.651 45.755 45.100 0.006 0.000 0.780 25 G HN 0.216 nan 8.290 nan 0.000 0.537 26 V N 1.527 121.475 119.914 0.058 0.000 2.490 26 V HA -0.056 4.063 4.120 -0.001 0.000 0.250 26 V C 3.064 179.155 176.094 -0.004 0.000 1.061 26 V CA 1.916 64.234 62.300 0.030 0.000 1.064 26 V CB -0.775 31.042 31.823 -0.010 0.000 0.670 26 V HN 0.440 nan 8.190 nan 0.000 0.461 27 G N -0.200 108.584 108.800 -0.027 0.000 2.404 27 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.215 27 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.215 27 G C 1.557 176.407 174.900 -0.084 0.000 1.174 27 G CA 0.829 45.896 45.100 -0.055 0.000 0.780 27 G HN 0.472 nan 8.290 nan 0.000 0.537 28 L N -1.400 119.745 121.223 -0.131 0.000 2.093 28 L HA 0.029 4.369 4.340 -0.001 0.000 0.208 28 L C 2.558 179.300 176.870 -0.212 0.000 1.085 28 L CA 0.664 55.377 54.840 -0.212 0.000 0.755 28 L CB -0.309 41.565 42.059 -0.308 0.000 0.904 28 L HN 0.304 nan 8.230 nan 0.000 0.435 29 W N -0.938 120.284 121.300 -0.130 0.000 2.825 29 W HA 0.052 4.712 4.660 -0.001 0.000 0.243 29 W C 0.641 177.061 176.519 -0.164 0.000 1.293 29 W CA -0.174 57.083 57.345 -0.146 0.000 1.403 29 W CB 0.226 29.581 29.460 -0.174 0.000 1.134 29 W HN -0.144 nan 8.180 nan 0.000 0.666 51 L N 4.907 126.080 121.223 -0.084 0.000 2.410 51 L HA 0.409 4.748 4.340 -0.001 0.000 0.273 51 L C -2.305 174.434 176.870 -0.218 0.000 1.144 51 L CA -1.626 53.112 54.840 -0.169 0.000 0.863 51 L CB 0.624 42.596 42.059 -0.144 0.000 1.140 51 L HN 0.303 nan 8.230 nan 0.000 0.463 52 P HA 0.003 nan 4.420 nan 0.000 0.276 52 P C 0.557 177.527 177.300 -0.550 0.000 1.244 52 P CA -0.542 62.271 63.100 -0.479 0.000 0.801 52 P CB 0.489 31.749 31.700 -0.733 0.000 1.006 53 W N 2.968 124.128 121.300 -0.234 0.000 2.304 53 W HA -0.183 4.477 4.660 -0.001 0.000 0.315 53 W C 1.813 178.300 176.519 -0.053 0.000 1.233 53 W CA 1.454 58.745 57.345 -0.091 0.000 1.261 53 W CB -2.054 27.397 29.460 -0.015 0.000 1.150 53 W HN 0.486 nan 8.180 nan 0.000 0.494 54 W N 1.204 121.779 121.300 -1.208 0.000 2.402 54 W HA 0.153 4.813 4.660 -0.001 0.000 0.286 54 W C 2.196 178.586 176.519 -0.216 0.000 1.221 54 W CA 1.558 58.273 57.345 -1.050 0.000 1.257 54 W CB -1.650 26.796 29.460 -1.691 0.000 1.120 54 W HN -0.015 nan 8.180 nan 0.000 0.551 55 A N 1.701 123.971 122.820 -0.917 0.000 1.897 55 A HA -0.044 4.275 4.320 -0.001 0.000 0.215 55 A C 2.308 179.785 177.584 -0.178 0.000 1.181 55 A CA 2.321 54.019 52.037 -0.565 0.000 0.620 55 A CB -1.015 17.462 19.000 -0.872 0.000 0.821 55 A HN 0.085 nan 8.150 nan 0.000 0.443 56 V N 0.196 120.021 119.914 -0.147 0.000 2.332 56 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 56 V C 2.782 178.952 176.094 0.126 0.000 1.055 56 V CA 2.045 64.351 62.300 0.011 0.000 1.038 56 V CB -1.605 30.247 31.823 0.048 0.000 0.651 56 V HN 0.598 nan 8.190 nan 0.000 0.450 57 G N -0.371 108.590 108.800 0.270 0.000 2.484 57 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.215 57 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.215 57 G C 1.814 176.813 174.900 0.166 0.000 1.219 57 G CA 1.144 46.448 45.100 0.341 0.000 0.791 57 G HN 0.617 nan 8.290 nan 0.000 0.550 58 A N 0.470 123.423 122.820 0.222 0.000 1.917 58 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 58 A C 2.662 180.312 177.584 0.111 0.000 1.182 58 A CA 2.650 54.779 52.037 0.153 0.000 0.633 58 A CB -0.977 18.161 19.000 0.231 0.000 0.819 58 A HN 0.492 nan 8.150 nan 0.000 0.448 59 S N -0.717 115.039 115.700 0.093 0.000 2.368 59 S HA -0.112 4.358 4.470 -0.001 0.000 0.225 59 S C 1.926 176.581 174.600 0.093 0.000 1.030 59 S CA 1.550 59.793 58.200 0.071 0.000 0.999 59 S CB -0.469 62.749 63.200 0.032 0.000 0.844 59 S HN 0.486 nan 8.310 nan 0.000 0.459 60 L N 0.181 121.476 121.223 0.120 0.000 2.023 60 L HA 0.017 4.356 4.340 -0.001 0.000 0.205 60 L C 2.416 179.450 176.870 0.273 0.000 1.073 60 L CA 0.882 55.838 54.840 0.194 0.000 0.745 60 L CB -0.477 41.707 42.059 0.210 0.000 0.900 60 L HN 0.303 nan 8.230 nan 0.000 0.435 61 I N 0.357 121.040 120.570 0.188 0.000 2.361 61 I HA -0.227 3.942 4.170 -0.001 0.000 0.251 61 I C 2.584 178.802 176.117 0.169 0.000 1.133 61 I CA 1.154 62.564 61.300 0.184 0.000 1.413 61 I CB -0.503 37.518 38.000 0.036 0.000 1.073 61 I HN 0.156 nan 8.210 nan 0.000 0.424 62 A N 0.418 123.319 122.820 0.135 0.000 2.009 62 A HA -0.296 4.023 4.320 -0.001 0.000 0.222 62 A C 2.513 180.176 177.584 0.133 0.000 1.175 62 A CA 2.098 54.211 52.037 0.126 0.000 0.651 62 A CB -1.250 17.819 19.000 0.115 0.000 0.815 62 A HN 0.505 nan 8.150 nan 0.000 0.459 63 A N -0.010 122.895 122.820 0.141 0.000 1.978 63 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 63 A C 1.765 179.428 177.584 0.132 0.000 1.170 63 A CA 1.880 53.994 52.037 0.127 0.000 0.636 63 A CB -0.542 18.520 19.000 0.105 0.000 0.810 63 A HN 0.592 nan 8.150 nan 0.000 0.448 64 N N -0.534 118.249 118.700 0.139 0.000 2.446 64 N HA 0.080 4.820 4.740 -0.001 0.000 0.179 64 N C 0.178 175.700 175.510 0.020 0.000 1.054 64 N CA 0.498 53.594 53.050 0.076 0.000 0.905 64 N CB -0.155 38.394 38.487 0.103 0.000 0.973 64 N HN 0.467 nan 8.380 nan 0.000 0.448 65 I N 1.565 122.179 120.570 0.072 0.000 2.206 65 I HA 0.079 4.249 4.170 -0.001 0.000 0.292 65 I C -0.120 176.122 176.117 0.209 0.000 1.156 65 I CA -0.167 61.203 61.300 0.115 0.000 1.356 65 I CB -0.308 37.783 38.000 0.153 0.000 1.494 65 I HN -0.041 nan 8.210 nan 0.000 0.601 66 S N 2.527 118.348 115.700 0.202 0.000 2.632 66 S HA 0.717 5.187 4.470 -0.001 0.000 0.289 66 S C 0.833 175.617 174.600 0.306 0.000 1.115 66 S CA -0.407 57.929 58.200 0.227 0.000 0.889 66 S CB 1.884 65.176 63.200 0.154 0.000 1.116 66 S HN 0.347 nan 8.310 nan 0.000 0.486 67 A N 1.137 124.098 122.820 0.236 0.000 1.865 67 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 67 A C 1.766 179.476 177.584 0.211 0.000 1.191 67 A CA 2.094 54.263 52.037 0.221 0.000 0.623 67 A CB -1.330 17.756 19.000 0.144 0.000 0.826 67 A HN 0.930 nan 8.150 nan 0.000 0.444 68 E N 0.184 120.482 120.200 0.164 0.000 2.204 68 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 68 E C 1.999 178.674 176.600 0.124 0.000 0.990 68 E CA 1.276 57.764 56.400 0.147 0.000 0.821 68 E CB -0.246 29.538 29.700 0.141 0.000 0.750 68 E HN 0.627 nan 8.360 nan 0.000 0.477 69 Q N -0.569 119.287 119.800 0.092 0.000 2.096 69 Q HA 0.022 4.361 4.340 -0.001 0.000 0.197 69 Q C 2.035 177.945 176.000 -0.149 0.000 0.964 69 Q CA 0.840 56.623 55.803 -0.033 0.000 0.838 69 Q CB -0.217 28.471 28.738 -0.083 0.000 0.906 69 Q HN 0.351 nan 8.270 nan 0.000 0.444 70 F N 0.960 120.831 119.950 -0.131 0.000 2.069 70 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 70 F C 2.314 177.972 175.800 -0.237 0.000 1.113 70 F CA 1.161 58.972 58.000 -0.315 0.000 1.214 70 F CB -0.403 38.281 39.000 -0.527 0.000 0.978 70 F HN 0.005 nan 8.300 nan 0.000 0.474 71 I N -0.452 120.199 120.570 0.135 0.000 2.179 71 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 71 I C 2.766 178.954 176.117 0.118 0.000 1.088 71 I CA 1.608 63.018 61.300 0.184 0.000 1.357 71 I CB -1.287 36.834 38.000 0.203 0.000 1.051 71 I HN 0.187 nan 8.210 nan 0.000 0.409 72 G N 0.790 109.646 108.800 0.093 0.000 2.414 72 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.215 72 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.215 72 G C 1.619 176.493 174.900 -0.042 0.000 1.188 72 G CA 0.518 45.678 45.100 0.101 0.000 0.783 72 G HN 0.102 nan 8.290 nan 0.000 0.537 73 M N 1.406 120.883 119.600 -0.205 0.000 2.213 73 M HA 0.019 4.499 4.480 -0.001 0.000 0.263 73 M C 2.651 178.820 176.300 -0.219 0.000 1.062 73 M CA 0.864 55.938 55.300 -0.377 0.000 1.105 73 M CB -1.119 31.201 32.600 -0.466 0.000 1.385 73 M HN 0.165 nan 8.290 nan 0.000 0.417 74 S N 0.358 116.005 115.700 -0.088 0.000 2.387 74 S HA 0.006 4.475 4.470 -0.001 0.000 0.226 74 S C 2.069 176.729 174.600 0.100 0.000 1.026 74 S CA 1.108 59.328 58.200 0.033 0.000 0.972 74 S CB -0.597 62.691 63.200 0.147 0.000 0.814 74 S HN 0.644 nan 8.310 nan 0.000 0.477 75 G N 1.435 110.293 108.800 0.097 0.000 2.440 75 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 75 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 75 G C 1.541 176.532 174.900 0.151 0.000 1.154 75 G CA 1.204 46.398 45.100 0.156 0.000 0.767 75 G HN 0.532 nan 8.290 nan 0.000 0.552 76 S N 0.606 116.317 115.700 0.019 0.000 2.387 76 S HA -0.004 4.465 4.470 -0.001 0.000 0.226 76 S C 2.488 177.026 174.600 -0.103 0.000 1.026 76 S CA 0.997 59.160 58.200 -0.061 0.000 0.972 76 S CB -0.409 62.670 63.200 -0.201 0.000 0.814 76 S HN 0.521 nan 8.310 nan 0.000 0.477 77 G N 0.047 108.795 108.800 -0.087 0.000 2.422 77 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 77 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 77 G C 1.238 176.172 174.900 0.057 0.000 1.140 77 G CA 0.739 45.791 45.100 -0.079 0.000 0.775 77 G HN 0.585 nan 8.290 nan 0.000 0.545 78 Y N 1.522 121.842 120.300 0.034 0.000 2.206 78 Y HA 0.056 4.605 4.550 -0.001 0.000 0.292 78 Y C 2.917 178.906 175.900 0.149 0.000 1.123 78 Y CA 1.778 59.959 58.100 0.135 0.000 1.142 78 Y CB -0.084 38.454 38.460 0.129 0.000 1.006 78 Y HN 0.178 nan 8.280 nan 0.000 0.518 79 S N 0.170 115.804 115.700 -0.110 0.000 2.362 79 S HA 0.018 4.488 4.470 -0.001 0.000 0.221 79 S C 1.855 176.233 174.600 -0.369 0.000 1.032 79 S CA 1.606 59.668 58.200 -0.230 0.000 0.973 79 S CB -0.118 63.065 63.200 -0.028 0.000 0.849 79 S HN 0.474 nan 8.310 nan 0.000 0.465 80 I N -0.325 120.021 120.570 -0.373 0.000 2.899 80 I HA 0.346 4.516 4.170 -0.001 0.000 0.257 80 I C 1.406 177.071 176.117 -0.753 0.000 1.115 80 I CA 0.483 61.496 61.300 -0.478 0.000 1.451 80 I CB -0.247 37.591 38.000 -0.270 0.000 1.251 80 I HN 0.468 nan 8.210 nan 0.000 0.456 81 G N 0.914 109.402 108.800 -0.520 0.000 2.416 81 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.203 81 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.203 81 G C 0.035 174.686 174.900 -0.414 0.000 1.227 81 G CA -0.169 44.653 45.100 -0.464 0.000 1.041 81 G HN 0.074 nan 8.290 nan 0.000 0.546 82 L N 1.389 122.340 121.223 -0.453 0.000 2.261 82 L HA 0.225 4.564 4.340 -0.001 0.000 0.216 82 L C 3.288 179.891 176.870 -0.445 0.000 1.114 82 L CA 3.089 57.675 54.840 -0.424 0.000 0.777 82 L CB -0.867 41.025 42.059 -0.279 0.000 0.910 82 L HN 1.372 nan 8.230 nan 0.000 0.440 83 A N -0.829 121.794 122.820 -0.328 0.000 2.084 83 A HA -0.237 4.083 4.320 -0.001 0.000 0.221 83 A C 2.146 179.578 177.584 -0.253 0.000 1.161 83 A CA 1.781 53.674 52.037 -0.240 0.000 0.653 83 A CB -0.815 18.089 19.000 -0.160 0.000 0.802 83 A HN 0.416 nan 8.150 nan 0.000 0.457 84 I N -0.836 119.555 120.570 -0.298 0.000 3.428 84 I HA 0.115 4.284 4.170 -0.001 0.000 0.286 84 I C 2.181 178.090 176.117 -0.347 0.000 1.287 84 I CA 0.617 61.776 61.300 -0.235 0.000 1.396 84 I CB -0.218 37.623 38.000 -0.265 0.000 1.062 84 I HN 0.236 nan 8.210 nan 0.000 0.471 85 A N -0.811 121.630 122.820 -0.632 0.000 2.172 85 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 85 A C 2.379 179.497 177.584 -0.777 0.000 1.154 85 A CA 1.469 52.905 52.037 -1.002 0.000 0.701 85 A CB -0.754 17.096 19.000 -1.917 0.000 0.789 85 A HN 0.413 nan 8.150 nan 0.000 0.465 86 S N -1.226 114.237 115.700 -0.395 0.000 2.402 86 S HA -0.201 4.268 4.470 -0.001 0.000 0.233 86 S C 1.640 176.179 174.600 -0.102 0.000 1.030 86 S CA 1.591 59.731 58.200 -0.100 0.000 1.003 86 S CB -0.542 62.627 63.200 -0.052 0.000 0.813 86 S HN 0.741 nan 8.310 nan 0.000 0.477 87 Y N 1.664 121.885 120.300 -0.131 0.000 2.181 87 Y HA -0.117 4.432 4.550 -0.001 0.000 0.288 87 Y C 2.720 178.609 175.900 -0.018 0.000 1.146 87 Y CA 1.284 59.360 58.100 -0.040 0.000 1.164 87 Y CB -0.042 38.441 38.460 0.039 0.000 0.982 87 Y HN 0.218 nan 8.280 nan 0.000 0.515 88 E N -1.535 118.711 120.200 0.078 0.000 2.060 88 E HA -0.150 4.200 4.350 -0.001 0.000 0.189 88 E C 1.981 178.687 176.600 0.176 0.000 0.974 88 E CA 0.791 57.245 56.400 0.090 0.000 0.808 88 E CB -0.562 29.135 29.700 -0.005 0.000 0.768 88 E HN 0.489 nan 8.360 nan 0.000 0.453 89 W N 0.720 121.979 121.300 -0.070 0.000 2.342 89 W HA -0.094 4.566 4.660 -0.001 0.000 0.297 89 W C 2.068 178.563 176.519 -0.041 0.000 1.213 89 W CA 0.749 58.063 57.345 -0.052 0.000 1.251 89 W CB -0.644 28.781 29.460 -0.059 0.000 1.136 89 W HN 0.108 nan 8.180 nan 0.000 0.526 90 M N -0.730 118.942 119.600 0.120 0.000 2.419 90 M HA -0.025 4.454 4.480 -0.001 0.000 0.264 90 M C 1.968 178.172 176.300 -0.160 0.000 1.082 90 M CA 0.858 56.084 55.300 -0.123 0.000 1.119 90 M CB -1.595 30.787 32.600 -0.362 0.000 1.398 90 M HN -0.172 nan 8.290 nan 0.000 0.453 91 S N 1.132 116.801 115.700 -0.052 0.000 2.382 91 S HA -0.069 4.400 4.470 -0.001 0.000 0.228 91 S C 2.087 176.529 174.600 -0.263 0.000 1.027 91 S CA 1.208 59.340 58.200 -0.113 0.000 0.991 91 S CB -0.171 63.039 63.200 0.017 0.000 0.823 91 S HN 0.560 nan 8.310 nan 0.000 0.469 92 A N 1.349 124.084 122.820 -0.142 0.000 1.859 92 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 92 A C 2.101 179.640 177.584 -0.076 0.000 1.198 92 A CA 1.804 53.766 52.037 -0.124 0.000 0.629 92 A CB -0.808 18.162 19.000 -0.050 0.000 0.830 92 A HN 0.487 nan 8.150 nan 0.000 0.446 93 I N -0.257 120.308 120.570 -0.007 0.000 2.394 93 I HA -0.152 4.017 4.170 -0.001 0.000 0.251 93 I C 2.279 178.493 176.117 0.162 0.000 1.136 93 I CA 2.265 63.624 61.300 0.098 0.000 1.425 93 I CB -0.409 37.701 38.000 0.183 0.000 1.079 93 I HN 0.329 nan 8.210 nan 0.000 0.425 94 T N 0.818 115.423 114.554 0.085 0.000 2.708 94 T HA -0.144 4.206 4.350 -0.001 0.000 0.266 94 T C 1.947 176.666 174.700 0.030 0.000 1.037 94 T CA 1.837 64.027 62.100 0.149 0.000 1.146 94 T CB -0.451 68.484 68.868 0.113 0.000 0.865 94 T HN 0.298 nan 8.240 nan 0.000 0.435 95 L N 0.706 121.848 121.223 -0.135 0.000 2.042 95 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 95 L C 2.499 179.395 176.870 0.043 0.000 1.076 95 L CA 0.970 55.723 54.840 -0.145 0.000 0.749 95 L CB -0.652 41.207 42.059 -0.334 0.000 0.893 95 L HN 0.253 nan 8.230 nan 0.000 0.432 96 I N 0.017 120.628 120.570 0.069 0.000 2.069 96 I HA -0.351 3.818 4.170 -0.001 0.000 0.237 96 I C 2.565 178.872 176.117 0.318 0.000 1.053 96 I CA 1.999 63.407 61.300 0.179 0.000 1.311 96 I CB -1.007 37.039 38.000 0.077 0.000 1.030 96 I HN 0.215 nan 8.210 nan 0.000 0.398 97 I N 0.560 121.299 120.570 0.281 0.000 2.118 97 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 97 I C 2.677 179.025 176.117 0.386 0.000 1.070 97 I CA 1.459 62.988 61.300 0.382 0.000 1.327 97 I CB -0.515 37.659 38.000 0.290 0.000 1.034 97 I HN -0.001 nan 8.210 nan 0.000 0.405 98 V N 0.898 120.887 119.914 0.126 0.000 2.255 98 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 98 V C 2.570 178.804 176.094 0.234 0.000 1.051 98 V CA 2.318 64.642 62.300 0.041 0.000 1.018 98 V CB -1.644 30.114 31.823 -0.109 0.000 0.641 98 V HN 0.617 nan 8.190 nan 0.000 0.445 99 G N -0.468 108.455 108.800 0.205 0.000 2.459 99 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.217 99 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.217 99 G C 1.656 176.586 174.900 0.050 0.000 1.183 99 G CA 1.238 46.442 45.100 0.174 0.000 0.776 99 G HN 0.510 nan 8.290 nan 0.000 0.552 100 K N -1.080 119.334 120.400 0.023 0.000 2.155 100 K HA 0.006 4.325 4.320 -0.001 0.000 0.203 100 K C 1.935 178.382 176.600 -0.254 0.000 1.052 100 K CA 1.086 57.206 56.287 -0.278 0.000 0.948 100 K CB -0.110 32.169 32.500 -0.367 0.000 0.728 100 K HN 0.519 nan 8.250 nan 0.000 0.448 101 Y N -2.108 118.336 120.300 0.240 0.000 2.678 101 Y HA 0.161 4.710 4.550 -0.001 0.000 0.274 101 Y C 1.690 177.764 175.900 0.290 0.000 1.114 101 Y CA -0.201 58.018 58.100 0.198 0.000 1.274 101 Y CB -0.163 38.257 38.460 -0.066 0.000 1.438 101 Y HN -0.126 nan 8.280 nan 0.000 0.493 102 F N 0.455 120.540 119.950 0.225 0.000 2.075 102 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 102 F C 2.059 177.736 175.800 -0.205 0.000 1.113 102 F CA 1.342 59.315 58.000 -0.045 0.000 1.218 102 F CB -0.564 38.429 39.000 -0.011 0.000 0.984 102 F HN -0.052 nan 8.300 nan 0.000 0.472 103 L N -0.256 121.132 121.223 0.276 0.000 2.017 103 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 103 L C -0.501 176.441 176.870 0.120 0.000 1.073 103 L CA 1.393 56.400 54.840 0.278 0.000 0.745 103 L CB -2.075 40.117 42.059 0.221 0.000 0.894 103 L HN 0.049 nan 8.230 nan 0.000 0.432 104 P HA -0.194 nan 4.420 nan 0.000 0.217 104 P C 1.703 178.967 177.300 -0.061 0.000 1.148 104 P CA 1.554 64.655 63.100 0.002 0.000 0.828 104 P CB -0.036 31.658 31.700 -0.011 0.000 0.783 105 I N -2.590 117.898 120.570 -0.135 0.000 2.315 105 I HA -0.217 3.953 4.170 -0.001 0.000 0.248 105 I C 2.048 178.032 176.117 -0.222 0.000 1.117 105 I CA 1.390 62.539 61.300 -0.252 0.000 1.404 105 I CB -0.733 37.008 38.000 -0.431 0.000 1.071 105 I HN -0.120 nan 8.210 nan 0.000 0.419 106 F N 1.084 121.003 119.950 -0.050 0.000 2.146 106 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 106 F C 2.418 178.220 175.800 0.004 0.000 1.096 106 F CA 1.165 59.141 58.000 -0.038 0.000 1.275 106 F CB -0.488 38.472 39.000 -0.068 0.000 1.008 106 F HN 0.079 nan 8.300 nan 0.000 0.480 107 I N -0.808 119.863 120.570 0.168 0.000 2.193 107 I HA -0.137 4.033 4.170 -0.001 0.000 0.240 107 I C 2.092 178.244 176.117 0.058 0.000 1.084 107 I CA 1.533 62.896 61.300 0.104 0.000 1.365 107 I CB -1.151 36.894 38.000 0.074 0.000 1.064 107 I HN -0.059 nan 8.210 nan 0.000 0.410 108 E N 1.428 121.636 120.200 0.013 0.000 2.085 108 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 108 E C 1.638 178.241 176.600 0.004 0.000 0.994 108 E CA 1.562 57.952 56.400 -0.016 0.000 0.801 108 E CB -0.117 29.543 29.700 -0.067 0.000 0.743 108 E HN 0.483 nan 8.360 nan 0.000 0.453 109 K N -0.556 119.859 120.400 0.025 0.000 2.469 109 K HA 0.156 4.476 4.320 -0.001 0.000 0.201 109 K C 0.073 176.726 176.600 0.090 0.000 1.028 109 K CA 0.433 56.749 56.287 0.049 0.000 1.170 109 K CB 0.365 32.893 32.500 0.047 0.000 0.874 109 K HN 0.273 nan 8.250 nan 0.000 0.507 110 G N 2.462 111.317 108.800 0.091 0.000 2.352 110 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.283 110 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.283 110 G C -0.262 174.725 174.900 0.144 0.000 0.946 110 G CA 0.155 45.318 45.100 0.104 0.000 1.317 110 G HN 0.286 nan 8.290 nan 0.000 0.478 111 I N -0.433 120.255 120.570 0.196 0.000 2.433 111 I HA 0.435 4.605 4.170 -0.001 0.000 0.292 111 I C 0.730 176.965 176.117 0.196 0.000 1.001 111 I CA -1.128 60.307 61.300 0.224 0.000 1.119 111 I CB 1.748 39.946 38.000 0.330 0.000 1.289 111 I HN 0.188 nan 8.210 nan 0.000 0.438 112 Y N 4.064 124.388 120.300 0.039 0.000 2.558 112 Y HA 0.178 4.727 4.550 -0.001 0.000 0.273 112 Y C 1.062 176.948 175.900 -0.023 0.000 1.100 112 Y CA 0.379 58.483 58.100 0.006 0.000 1.276 112 Y CB 0.736 39.207 38.460 0.018 0.000 1.196 112 Y HN 0.634 nan 8.280 nan 0.000 0.527 113 T N -2.220 112.365 114.554 0.051 0.000 2.926 113 T HA 0.253 4.602 4.350 -0.001 0.000 0.289 113 T C 0.869 175.556 174.700 -0.021 0.000 1.054 113 T CA -0.447 61.632 62.100 -0.035 0.000 1.015 113 T CB 1.579 70.457 68.868 0.017 0.000 1.167 113 T HN 0.221 nan 8.240 nan 0.000 0.526 114 I N 0.935 121.476 120.570 -0.048 0.000 2.235 114 I HA 0.136 4.305 4.170 -0.001 0.000 0.241 114 I C -1.001 175.257 176.117 0.234 0.000 1.085 114 I CA 0.032 61.361 61.300 0.048 0.000 1.378 114 I CB -0.420 37.558 38.000 -0.038 0.000 1.076 114 I HN 0.476 nan 8.210 nan 0.000 0.415 115 P HA -0.240 nan 4.420 nan 0.000 0.217 115 P C 1.295 178.735 177.300 0.232 0.000 1.148 115 P CA 1.599 64.872 63.100 0.289 0.000 0.834 115 P CB -0.123 31.704 31.700 0.211 0.000 0.783 116 E N -1.465 118.848 120.200 0.188 0.000 2.077 116 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 116 E C 1.792 178.523 176.600 0.220 0.000 0.989 116 E CA 0.792 57.295 56.400 0.173 0.000 0.800 116 E CB -0.500 29.297 29.700 0.161 0.000 0.746 116 E HN 0.156 nan 8.360 nan 0.000 0.452 117 F N 0.789 120.827 119.950 0.147 0.000 2.171 117 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 117 F C 1.823 177.762 175.800 0.231 0.000 1.090 117 F CA 1.034 59.150 58.000 0.193 0.000 1.293 117 F CB -0.294 38.863 39.000 0.262 0.000 1.013 117 F HN -0.125 nan 8.300 nan 0.000 0.486 118 V N 0.591 120.554 119.914 0.080 0.000 2.343 118 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 118 V C 2.446 178.605 176.094 0.108 0.000 1.051 118 V CA 2.254 64.643 62.300 0.148 0.000 1.036 118 V CB -0.740 31.314 31.823 0.384 0.000 0.654 118 V HN 0.354 nan 8.190 nan 0.000 0.451 119 E N 0.026 120.287 120.200 0.103 0.000 2.072 119 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 119 E C 2.307 178.914 176.600 0.011 0.000 0.985 119 E CA 1.169 57.613 56.400 0.073 0.000 0.801 119 E CB -0.055 29.692 29.700 0.079 0.000 0.750 119 E HN 0.536 nan 8.360 nan 0.000 0.452 120 K N 0.040 120.432 120.400 -0.014 0.000 2.217 120 K HA -0.106 4.213 4.320 -0.001 0.000 0.202 120 K C 2.138 178.642 176.600 -0.160 0.000 1.051 120 K CA 0.671 56.933 56.287 -0.042 0.000 0.952 120 K CB 0.114 32.634 32.500 0.033 0.000 0.736 120 K HN -0.152 nan 8.250 nan 0.000 0.453 121 R N -0.562 119.726 120.500 -0.354 0.000 2.146 121 R HA 0.115 4.454 4.340 -0.001 0.000 0.206 121 R C 0.746 176.566 176.300 -0.800 0.000 1.049 121 R CA 1.151 56.845 56.100 -0.677 0.000 1.029 121 R CB 0.211 29.846 30.300 -1.109 0.000 0.949 121 R HN 0.002 nan 8.270 nan 0.000 0.471 122 F N -0.469 119.408 119.950 -0.121 0.000 2.060 122 F HA 0.402 4.928 4.527 -0.001 0.000 0.218 122 F C -0.095 175.683 175.800 -0.038 0.000 1.186 122 F CA -0.232 57.728 58.000 -0.067 0.000 1.281 122 F CB -0.340 38.626 39.000 -0.057 0.000 1.741 122 F HN 0.019 nan 8.300 nan 0.000 0.359 123 N N -1.038 117.790 118.700 0.214 0.000 3.185 123 N HA 0.159 4.899 4.740 -0.001 0.000 0.238 123 N C -0.659 174.908 175.510 0.094 0.000 1.451 123 N CA -0.730 52.386 53.050 0.111 0.000 0.888 123 N CB 1.393 39.933 38.487 0.088 0.000 1.413 123 N HN 0.025 nan 8.380 nan 0.000 0.511 124 K N 0.081 120.524 120.400 0.072 0.000 2.147 124 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 124 K C 1.472 178.130 176.600 0.097 0.000 1.049 124 K CA 1.211 57.544 56.287 0.077 0.000 0.936 124 K CB 0.020 32.547 32.500 0.044 0.000 0.722 124 K HN 0.561 nan 8.250 nan 0.000 0.446 125 K N 0.893 121.339 120.400 0.076 0.000 2.002 125 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 125 K C 2.093 178.684 176.600 -0.015 0.000 1.048 125 K CA 1.196 57.510 56.287 0.046 0.000 0.930 125 K CB -0.127 32.386 32.500 0.022 0.000 0.714 125 K HN 0.009 nan 8.250 nan 0.000 0.438 126 L N 2.043 123.249 121.223 -0.028 0.000 2.046 126 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 126 L C 2.302 179.118 176.870 -0.090 0.000 1.077 126 L CA 1.838 56.618 54.840 -0.100 0.000 0.747 126 L CB -0.508 41.484 42.059 -0.112 0.000 0.896 126 L HN 0.145 nan 8.230 nan 0.000 0.432 127 K N -1.345 119.072 120.400 0.028 0.000 2.063 127 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 127 K C 1.846 178.482 176.600 0.060 0.000 1.048 127 K CA 1.979 58.327 56.287 0.102 0.000 0.928 127 K CB -0.188 32.404 32.500 0.154 0.000 0.713 127 K HN 0.423 nan 8.250 nan 0.000 0.442 128 T N 2.042 116.625 114.554 0.048 0.000 2.777 128 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 128 T C 1.862 176.491 174.700 -0.119 0.000 1.040 128 T CA 1.054 63.180 62.100 0.044 0.000 1.141 128 T CB -0.031 68.912 68.868 0.125 0.000 0.868 128 T HN 0.113 nan 8.240 nan 0.000 0.444 129 I N 1.523 121.946 120.570 -0.243 0.000 2.127 129 I HA -0.104 4.066 4.170 -0.001 0.000 0.241 129 I C 2.368 177.977 176.117 -0.847 0.000 1.075 129 I CA 1.414 62.413 61.300 -0.501 0.000 1.334 129 I CB -1.455 36.250 38.000 -0.493 0.000 1.040 129 I HN 0.278 nan 8.210 nan 0.000 0.405 130 L N 0.565 121.352 121.223 -0.725 0.000 2.131 130 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 130 L C 2.810 179.228 176.870 -0.753 0.000 1.092 130 L CA 1.146 55.389 54.840 -0.996 0.000 0.759 130 L CB -0.806 40.616 42.059 -1.062 0.000 0.903 130 L HN 0.191 nan 8.230 nan 0.000 0.435 131 A N 0.090 122.819 122.820 -0.152 0.000 1.877 131 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 131 A C 2.348 180.063 177.584 0.218 0.000 1.186 131 A CA 1.786 53.978 52.037 0.259 0.000 0.620 131 A CB -0.826 18.321 19.000 0.244 0.000 0.822 131 A HN 0.183 nan 8.150 nan 0.000 0.443 132 V N -0.609 119.346 119.914 0.068 0.000 2.407 132 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 132 V C 2.372 178.650 176.094 0.308 0.000 1.055 132 V CA 1.831 64.227 62.300 0.160 0.000 1.049 132 V CB -1.004 30.868 31.823 0.081 0.000 0.662 132 V HN 0.525 nan 8.190 nan 0.000 0.455 133 F N -1.248 118.698 119.950 -0.007 0.000 2.113 133 F HA -0.085 4.442 4.527 -0.001 0.000 0.297 133 F C 2.263 178.150 175.800 0.145 0.000 1.103 133 F CA 0.529 58.513 58.000 -0.026 0.000 1.248 133 F CB -1.216 37.642 39.000 -0.238 0.000 0.999 133 F HN 0.250 nan 8.300 nan 0.000 0.475 134 W N 0.536 122.079 121.300 0.404 0.000 2.358 134 W HA -0.100 4.559 4.660 -0.001 0.000 0.303 134 W C 2.496 179.263 176.519 0.412 0.000 1.208 134 W CA 0.660 58.243 57.345 0.396 0.000 1.274 134 W CB -1.395 28.293 29.460 0.380 0.000 1.138 134 W HN 0.071 nan 8.180 nan 0.000 0.515 135 I N 0.313 121.203 120.570 0.534 0.000 2.179 135 I HA -0.321 3.849 4.170 -0.001 0.000 0.242 135 I C 2.460 178.760 176.117 0.305 0.000 1.088 135 I CA 1.583 63.105 61.300 0.371 0.000 1.357 135 I CB -0.832 37.344 38.000 0.294 0.000 1.051 135 I HN -0.233 nan 8.210 nan 0.000 0.409 136 S N 0.798 116.701 115.700 0.338 0.000 2.359 136 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 136 S C 2.032 176.854 174.600 0.371 0.000 1.035 136 S CA 1.327 59.768 58.200 0.401 0.000 1.018 136 S CB -0.467 62.984 63.200 0.418 0.000 0.876 136 S HN 0.352 nan 8.310 nan 0.000 0.448 137 L N -0.504 120.914 121.223 0.324 0.000 2.046 137 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 137 L C 2.283 179.226 176.870 0.122 0.000 1.077 137 L CA 1.585 56.557 54.840 0.220 0.000 0.747 137 L CB -0.378 41.831 42.059 0.250 0.000 0.896 137 L HN 0.335 nan 8.230 nan 0.000 0.432 138 Y N -0.094 120.303 120.300 0.162 0.000 2.114 138 Y HA -0.279 4.270 4.550 -0.001 0.000 0.284 138 Y C 2.377 178.284 175.900 0.012 0.000 1.143 138 Y CA 1.777 59.934 58.100 0.096 0.000 1.135 138 Y CB -0.162 38.353 38.460 0.093 0.000 0.980 138 Y HN 0.075 nan 8.280 nan 0.000 0.499 139 I N -1.325 119.269 120.570 0.039 0.000 2.090 139 I HA -0.322 3.847 4.170 -0.001 0.000 0.236 139 I C 1.822 177.793 176.117 -0.243 0.000 1.064 139 I CA 1.554 62.706 61.300 -0.246 0.000 1.324 139 I CB -0.554 37.071 38.000 -0.625 0.000 1.044 139 I HN 0.057 nan 8.210 nan 0.000 0.399 140 F N -0.191 119.823 119.950 0.107 0.000 2.259 140 F HA -0.069 4.457 4.527 -0.001 0.000 0.298 140 F C 2.099 177.974 175.800 0.125 0.000 1.088 140 F CA 0.708 58.764 58.000 0.093 0.000 1.358 140 F CB -0.969 38.067 39.000 0.060 0.000 1.040 140 F HN -0.152 nan 8.300 nan 0.000 0.505 141 V N -0.373 119.669 119.914 0.213 0.000 2.543 141 V HA -0.076 4.044 4.120 -0.001 0.000 0.232 141 V C 2.025 178.193 176.094 0.124 0.000 1.087 141 V CA 0.921 63.291 62.300 0.116 0.000 1.113 141 V CB -0.700 31.082 31.823 -0.069 0.000 0.779 141 V HN 0.096 nan 8.190 nan 0.000 0.495 142 N N 0.906 119.622 118.700 0.026 0.000 2.005 142 N HA -0.184 4.556 4.740 -0.001 0.000 0.199 142 N C 1.802 177.371 175.510 0.098 0.000 1.054 142 N CA 1.874 54.930 53.050 0.010 0.000 0.864 142 N CB -0.767 37.622 38.487 -0.165 0.000 1.063 142 N HN 0.301 nan 8.380 nan 0.000 0.428 143 L N 0.684 121.978 121.223 0.118 0.000 2.046 143 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 143 L C 2.387 179.325 176.870 0.114 0.000 1.077 143 L CA 1.158 56.069 54.840 0.118 0.000 0.747 143 L CB -0.783 41.335 42.059 0.098 0.000 0.896 143 L HN 0.192 nan 8.230 nan 0.000 0.432 144 T N -0.966 113.661 114.554 0.121 0.000 2.699 144 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 144 T C 2.136 176.931 174.700 0.159 0.000 1.036 144 T CA 1.775 63.953 62.100 0.129 0.000 1.147 144 T CB -0.135 68.826 68.868 0.154 0.000 0.862 144 T HN 0.295 nan 8.240 nan 0.000 0.446 145 S N 0.705 116.525 115.700 0.200 0.000 2.345 145 S HA -0.079 4.390 4.470 -0.001 0.000 0.220 145 S C 2.362 177.097 174.600 0.225 0.000 1.031 145 S CA 1.027 59.367 58.200 0.233 0.000 0.996 145 S CB -0.522 62.821 63.200 0.239 0.000 0.882 145 S HN 0.307 nan 8.310 nan 0.000 0.445 146 V N 2.424 122.440 119.914 0.170 0.000 2.287 146 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 146 V C 2.237 178.410 176.094 0.132 0.000 1.053 146 V CA 1.590 63.976 62.300 0.144 0.000 1.027 146 V CB -0.903 30.994 31.823 0.123 0.000 0.646 146 V HN 0.377 nan 8.190 nan 0.000 0.447 147 L N -1.260 120.040 121.223 0.128 0.000 2.012 147 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 147 L C 2.513 179.460 176.870 0.128 0.000 1.073 147 L CA 2.359 57.263 54.840 0.107 0.000 0.748 147 L CB -0.745 41.368 42.059 0.091 0.000 0.891 147 L HN 0.421 nan 8.230 nan 0.000 0.431 148 Y N 0.587 120.915 120.300 0.046 0.000 2.114 148 Y HA -0.259 4.290 4.550 -0.001 0.000 0.284 148 Y C 2.344 178.283 175.900 0.064 0.000 1.143 148 Y CA 1.647 59.770 58.100 0.039 0.000 1.135 148 Y CB -0.320 38.147 38.460 0.012 0.000 0.980 148 Y HN -0.028 nan 8.280 nan 0.000 0.499 149 L N -0.266 120.978 121.223 0.035 0.000 2.083 149 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 149 L C 2.700 179.565 176.870 -0.008 0.000 1.083 149 L CA 1.431 56.261 54.840 -0.016 0.000 0.752 149 L CB -1.105 41.032 42.059 0.130 0.000 0.899 149 L HN 0.421 nan 8.230 nan 0.000 0.433 150 G N -0.646 108.177 108.800 0.037 0.000 2.394 150 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.215 150 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.215 150 G C 1.629 176.557 174.900 0.046 0.000 1.165 150 G CA 0.572 45.710 45.100 0.063 0.000 0.784 150 G HN 0.457 nan 8.290 nan 0.000 0.535 151 G N 0.609 109.409 108.800 0.001 0.000 2.448 151 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.219 151 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.219 151 G C 1.729 176.592 174.900 -0.062 0.000 1.127 151 G CA 0.438 45.533 45.100 -0.009 0.000 0.766 151 G HN 0.402 nan 8.290 nan 0.000 0.552 152 L N 0.215 121.330 121.223 -0.180 0.000 2.109 152 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 152 L C 3.357 180.202 176.870 -0.043 0.000 1.086 152 L CA 0.883 55.611 54.840 -0.188 0.000 0.760 152 L CB -0.299 41.555 42.059 -0.341 0.000 0.910 152 L HN 0.328 nan 8.230 nan 0.000 0.437 153 A N 0.408 123.243 122.820 0.026 0.000 1.902 153 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 153 A C 2.135 179.823 177.584 0.174 0.000 1.181 153 A CA 1.409 53.520 52.037 0.124 0.000 0.623 153 A CB -0.640 18.474 19.000 0.190 0.000 0.818 153 A HN 0.406 nan 8.150 nan 0.000 0.443 154 L N -0.894 120.451 121.223 0.203 0.000 2.109 154 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 154 L C 2.596 179.488 176.870 0.038 0.000 1.086 154 L CA 1.590 56.556 54.840 0.210 0.000 0.760 154 L CB -0.768 41.449 42.059 0.263 0.000 0.910 154 L HN 0.555 nan 8.230 nan 0.000 0.437 155 E N 0.885 121.099 120.200 0.024 0.000 2.017 155 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 155 E C 1.976 178.556 176.600 -0.034 0.000 0.997 155 E CA 2.197 58.590 56.400 -0.011 0.000 0.804 155 E CB -0.012 29.682 29.700 -0.009 0.000 0.757 155 E HN 0.423 nan 8.360 nan 0.000 0.448 156 T N 0.665 115.206 114.554 -0.022 0.000 2.929 156 T HA -0.081 4.269 4.350 -0.001 0.000 0.271 156 T C 1.810 176.463 174.700 -0.077 0.000 1.085 156 T CA 1.169 63.258 62.100 -0.017 0.000 1.125 156 T CB -0.025 68.858 68.868 0.025 0.000 0.874 156 T HN 0.172 nan 8.240 nan 0.000 0.494 157 I N -0.410 120.073 120.570 -0.145 0.000 3.098 157 I HA 0.136 4.305 4.170 -0.001 0.000 0.241 157 I C 2.045 177.944 176.117 -0.364 0.000 1.081 157 I CA 0.377 61.489 61.300 -0.313 0.000 1.487 157 I CB -0.120 37.575 38.000 -0.509 0.000 1.366 157 I HN 0.050 nan 8.210 nan 0.000 0.463 158 L N 0.339 121.328 121.223 -0.390 0.000 2.027 158 L HA 0.006 4.345 4.340 -0.001 0.000 0.206 158 L C 1.754 178.516 176.870 -0.180 0.000 1.074 158 L CA 1.537 56.195 54.840 -0.304 0.000 0.745 158 L CB -0.668 41.258 42.059 -0.222 0.000 0.898 158 L HN 0.621 nan 8.230 nan 0.000 0.433 159 G N -0.621 108.105 108.800 -0.124 0.000 2.229 159 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.189 159 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.189 159 G C 0.263 175.121 174.900 -0.071 0.000 1.000 159 G CA -0.276 44.770 45.100 -0.091 0.000 0.663 159 G HN 0.192 nan 8.290 nan 0.000 0.493 160 I N 2.648 123.184 120.570 -0.056 0.000 2.648 160 I HA 0.271 4.440 4.170 -0.001 0.000 0.284 160 I C -1.552 174.555 176.117 -0.018 0.000 1.153 160 I CA -1.738 59.537 61.300 -0.042 0.000 1.426 160 I CB 0.383 38.387 38.000 0.007 0.000 1.381 160 I HN -0.091 nan 8.210 nan 0.000 0.571 161 P HA -0.022 nan 4.420 nan 0.000 0.269 161 P C 0.585 177.930 177.300 0.075 0.000 1.217 161 P CA -0.314 62.796 63.100 0.016 0.000 0.783 161 P CB 0.659 32.363 31.700 0.007 0.000 0.898 162 L N 2.360 123.622 121.223 0.065 0.000 1.971 162 L HA -0.234 4.106 4.340 -0.001 0.000 0.215 162 L C 2.336 179.261 176.870 0.092 0.000 1.072 162 L CA 2.192 57.073 54.840 0.068 0.000 0.758 162 L CB -0.830 41.270 42.059 0.068 0.000 0.889 162 L HN 0.341 nan 8.230 nan 0.000 0.433 163 M N -2.238 117.429 119.600 0.111 0.000 2.108 163 M HA -0.311 4.169 4.480 -0.001 0.000 0.257 163 M C 2.142 178.475 176.300 0.054 0.000 1.071 163 M CA 2.207 57.557 55.300 0.084 0.000 1.093 163 M CB -0.579 32.079 32.600 0.096 0.000 1.345 163 M HN 0.242 nan 8.290 nan 0.000 0.403 164 Y N -1.489 118.801 120.300 -0.017 0.000 2.220 164 Y HA -0.172 4.377 4.550 -0.001 0.000 0.291 164 Y C 2.924 178.798 175.900 -0.043 0.000 1.129 164 Y CA 1.618 59.699 58.100 -0.031 0.000 1.161 164 Y CB -0.444 38.002 38.460 -0.023 0.000 0.997 164 Y HN 0.231 nan 8.280 nan 0.000 0.522 165 S N 0.493 116.277 115.700 0.139 0.000 2.370 165 S HA -0.206 4.264 4.470 -0.001 0.000 0.226 165 S C 2.014 176.629 174.600 0.024 0.000 1.033 165 S CA 1.903 60.149 58.200 0.077 0.000 1.011 165 S CB -0.664 62.579 63.200 0.072 0.000 0.852 165 S HN 0.476 nan 8.310 nan 0.000 0.457 166 I N 0.257 120.837 120.570 0.017 0.000 2.252 166 I HA 0.032 4.201 4.170 -0.001 0.000 0.245 166 I C 2.120 178.199 176.117 -0.062 0.000 1.102 166 I CA 1.209 62.509 61.300 -0.000 0.000 1.385 166 I CB -0.874 37.146 38.000 0.034 0.000 1.064 166 I HN 0.297 nan 8.210 nan 0.000 0.414 167 L N 2.034 123.199 121.223 -0.096 0.000 2.083 167 L HA 0.051 4.391 4.340 -0.001 0.000 0.209 167 L C 2.348 179.057 176.870 -0.269 0.000 1.083 167 L CA 2.118 56.860 54.840 -0.162 0.000 0.752 167 L CB -1.379 40.559 42.059 -0.202 0.000 0.899 167 L HN 0.354 nan 8.230 nan 0.000 0.433 168 G N -0.532 108.075 108.800 -0.322 0.000 2.422 168 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 168 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 168 G C 1.560 175.680 174.900 -1.300 0.000 1.146 168 G CA 1.119 45.797 45.100 -0.704 0.000 0.769 168 G HN 0.454 nan 8.290 nan 0.000 0.547 169 L N 0.486 121.410 121.223 -0.498 0.000 2.179 169 L HA 0.130 4.470 4.340 -0.001 0.000 0.208 169 L C 3.287 180.093 176.870 -0.106 0.000 1.096 169 L CA 0.790 55.547 54.840 -0.138 0.000 0.779 169 L CB -0.224 41.859 42.059 0.041 0.000 0.922 169 L HN 0.271 nan 8.230 nan 0.000 0.443 170 A N -0.130 122.598 122.820 -0.153 0.000 1.897 170 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 170 A C 2.194 179.733 177.584 -0.076 0.000 1.181 170 A CA 1.268 53.257 52.037 -0.080 0.000 0.620 170 A CB -0.562 18.392 19.000 -0.077 0.000 0.821 170 A HN 0.291 nan 8.150 nan 0.000 0.443 171 L N -1.415 119.699 121.223 -0.181 0.000 2.141 171 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 171 L C 2.031 178.956 176.870 0.090 0.000 1.094 171 L CA 1.537 56.318 54.840 -0.098 0.000 0.763 171 L CB -0.492 41.451 42.059 -0.193 0.000 0.908 171 L HN 0.353 nan 8.230 nan 0.000 0.437 172 F N -0.368 119.604 119.950 0.038 0.000 2.128 172 F HA -0.002 4.524 4.527 -0.001 0.000 0.295 172 F C 2.588 178.415 175.800 0.044 0.000 1.100 172 F CA 0.676 58.705 58.000 0.048 0.000 1.260 172 F CB -1.704 37.312 39.000 0.026 0.000 1.009 172 F HN 0.135 nan 8.300 nan 0.000 0.476 173 A N -0.165 122.765 122.820 0.184 0.000 1.972 173 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 173 A C 2.206 179.870 177.584 0.134 0.000 1.169 173 A CA 1.181 53.266 52.037 0.080 0.000 0.635 173 A CB -1.112 17.910 19.000 0.036 0.000 0.810 173 A HN 0.355 nan 8.150 nan 0.000 0.446 174 L N -0.474 120.827 121.223 0.131 0.000 2.141 174 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 174 L C 2.332 179.313 176.870 0.186 0.000 1.094 174 L CA 1.228 56.145 54.840 0.127 0.000 0.763 174 L CB -0.107 42.004 42.059 0.088 0.000 0.908 174 L HN 0.181 nan 8.230 nan 0.000 0.437 175 V N -1.575 118.474 119.914 0.224 0.000 2.323 175 V HA -0.285 3.834 4.120 -0.001 0.000 0.244 175 V C 2.075 178.339 176.094 0.283 0.000 1.041 175 V CA 1.560 63.999 62.300 0.232 0.000 1.025 175 V CB -0.756 31.185 31.823 0.195 0.000 0.656 175 V HN 0.383 nan 8.190 nan 0.000 0.451 176 Y N 0.138 120.500 120.300 0.103 0.000 2.421 176 Y HA -0.152 4.397 4.550 -0.001 0.000 0.292 176 Y C 2.781 178.725 175.900 0.075 0.000 1.136 176 Y CA 1.432 59.580 58.100 0.080 0.000 1.255 176 Y CB -0.252 38.250 38.460 0.070 0.000 0.991 176 Y HN 0.232 nan 8.280 nan 0.000 0.552 177 S N -0.291 115.552 115.700 0.238 0.000 2.315 177 S HA -0.085 4.385 4.470 -0.001 0.000 0.211 177 S C 1.951 176.605 174.600 0.091 0.000 1.029 177 S CA 1.251 59.534 58.200 0.139 0.000 0.956 177 S CB -0.439 62.826 63.200 0.108 0.000 0.918 177 S HN 0.325 nan 8.310 nan 0.000 0.470 178 I N -0.406 120.236 120.570 0.121 0.000 2.233 178 I HA -0.074 4.096 4.170 -0.001 0.000 0.243 178 I C 1.579 177.614 176.117 -0.136 0.000 1.093 178 I CA 1.346 62.655 61.300 0.015 0.000 1.380 178 I CB -0.301 37.766 38.000 0.111 0.000 1.067 178 I HN 0.366 nan 8.210 nan 0.000 0.413 179 Y N -0.048 120.255 120.300 0.006 0.000 2.445 179 Y HA 0.300 4.850 4.550 -0.001 0.000 0.247 179 Y C 2.402 178.273 175.900 -0.048 0.000 1.129 179 Y CA 0.093 58.179 58.100 -0.023 0.000 1.251 179 Y CB -0.008 38.438 38.460 -0.024 0.000 1.176 179 Y HN 0.016 nan 8.280 nan 0.000 0.522 180 G N 0.684 109.549 108.800 0.109 0.000 2.418 180 G HA2 0.116 4.075 3.960 -0.001 0.000 0.217 180 G HA3 0.116 4.075 3.960 -0.001 0.000 0.217 180 G C 1.223 176.097 174.900 -0.044 0.000 1.158 180 G CA 0.585 45.675 45.100 -0.016 0.000 0.771 180 G HN 0.555 nan 8.290 nan 0.000 0.545 186 V N -1.400 118.654 119.914 0.233 0.000 2.690 186 V HA 0.053 4.172 4.120 -0.001 0.000 0.240 186 V C 1.950 178.205 176.094 0.268 0.000 1.078 186 V CA 1.591 64.029 62.300 0.231 0.000 1.102 186 V CB -0.190 31.761 31.823 0.213 0.000 0.800 186 V HN 0.611 nan 8.190 nan 0.000 0.479 187 W N 1.708 123.033 121.300 0.041 0.000 2.338 187 W HA -0.184 4.476 4.660 -0.001 0.000 0.304 187 W C 2.842 179.386 176.519 0.042 0.000 1.212 187 W CA 2.294 59.658 57.345 0.032 0.000 1.264 187 W CB -1.577 27.894 29.460 0.018 0.000 1.142 187 W HN 0.416 nan 8.180 nan 0.000 0.512 188 T N -2.448 112.272 114.554 0.277 0.000 2.803 188 T HA -0.203 4.146 4.350 -0.001 0.000 0.269 188 T C 1.171 175.978 174.700 0.178 0.000 1.052 188 T CA 1.781 63.986 62.100 0.176 0.000 1.136 188 T CB -0.513 68.435 68.868 0.133 0.000 0.864 188 T HN -0.008 nan 8.240 nan 0.000 0.467 189 D N 1.040 121.546 120.400 0.177 0.000 2.123 189 D HA 0.032 4.671 4.640 -0.001 0.000 0.200 189 D C 2.331 178.727 176.300 0.159 0.000 0.976 189 D CA 0.525 54.622 54.000 0.162 0.000 0.831 189 D CB -0.525 40.359 40.800 0.140 0.000 0.974 189 D HN 0.317 nan 8.370 nan 0.000 0.469 190 V N 0.978 120.971 119.914 0.132 0.000 2.307 190 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 190 V C 2.409 178.586 176.094 0.138 0.000 1.045 190 V CA 1.117 63.474 62.300 0.096 0.000 1.024 190 V CB -0.402 31.421 31.823 -0.000 0.000 0.651 190 V HN 0.167 nan 8.190 nan 0.000 0.449 191 I N -0.448 120.225 120.570 0.172 0.000 2.142 191 I HA -0.322 3.847 4.170 -0.001 0.000 0.240 191 I C 2.686 179.075 176.117 0.454 0.000 1.078 191 I CA 1.855 63.320 61.300 0.276 0.000 1.343 191 I CB -0.469 37.682 38.000 0.252 0.000 1.046 191 I HN 0.324 nan 8.210 nan 0.000 0.405 192 Q N 0.422 120.442 119.800 0.367 0.000 2.045 192 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 192 Q C 2.438 178.630 176.000 0.320 0.000 0.991 192 Q CA 2.206 58.241 55.803 0.387 0.000 0.851 192 Q CB -0.075 28.827 28.738 0.274 0.000 0.911 192 Q HN 0.348 nan 8.270 nan 0.000 0.418 193 V N 0.496 120.558 119.914 0.247 0.000 2.287 193 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 193 V C 1.942 178.142 176.094 0.175 0.000 1.053 193 V CA 2.052 64.473 62.300 0.202 0.000 1.027 193 V CB -0.675 31.252 31.823 0.173 0.000 0.646 193 V HN 0.431 nan 8.190 nan 0.000 0.447 194 F N 0.473 120.421 119.950 -0.002 0.000 2.065 194 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 194 F C 1.985 177.636 175.800 -0.248 0.000 1.112 194 F CA 2.038 59.929 58.000 -0.182 0.000 1.212 194 F CB -0.417 38.376 39.000 -0.345 0.000 0.975 194 F HN 0.175 nan 8.300 nan 0.000 0.476 195 F N 0.153 120.228 119.950 0.208 0.000 2.407 195 F HA -0.068 4.459 4.527 -0.001 0.000 0.299 195 F C 2.017 177.754 175.800 -0.106 0.000 1.097 195 F CA 0.858 58.876 58.000 0.030 0.000 1.422 195 F CB -0.741 38.338 39.000 0.132 0.000 1.067 195 F HN -0.019 nan 8.300 nan 0.000 0.539 196 L N -1.281 119.963 121.223 0.036 0.000 2.095 196 L HA -0.126 4.214 4.340 -0.001 0.000 0.204 196 L C 2.330 179.015 176.870 -0.309 0.000 1.080 196 L CA 0.452 55.180 54.840 -0.187 0.000 0.759 196 L CB -0.739 41.280 42.059 -0.066 0.000 0.914 196 L HN -0.083 nan 8.230 nan 0.000 0.439 197 V N 0.009 119.883 119.914 -0.067 0.000 2.261 197 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 197 V C 2.395 178.457 176.094 -0.052 0.000 1.047 197 V CA 1.799 64.112 62.300 0.021 0.000 1.015 197 V CB -0.388 31.439 31.823 0.006 0.000 0.642 197 V HN 0.289 nan 8.190 nan 0.000 0.446 198 L N 1.048 122.131 121.223 -0.234 0.000 2.042 198 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 198 L C 2.367 179.247 176.870 0.016 0.000 1.076 198 L CA 2.443 57.176 54.840 -0.178 0.000 0.749 198 L CB -1.243 40.531 42.059 -0.476 0.000 0.893 198 L HN 0.308 nan 8.230 nan 0.000 0.432 199 G N -1.156 107.628 108.800 -0.027 0.000 2.476 199 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 199 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 199 G C 1.513 176.455 174.900 0.070 0.000 1.164 199 G CA 0.714 45.819 45.100 0.008 0.000 0.768 199 G HN 0.600 nan 8.290 nan 0.000 0.560 200 G N 0.488 109.281 108.800 -0.012 0.000 2.459 200 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 200 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 200 G C 1.646 176.713 174.900 0.278 0.000 1.183 200 G CA 1.077 46.285 45.100 0.179 0.000 0.776 200 G HN 0.389 nan 8.290 nan 0.000 0.552 201 F N 1.172 121.186 119.950 0.107 0.000 2.069 201 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 201 F C 2.636 178.502 175.800 0.110 0.000 1.113 201 F CA 1.844 59.896 58.000 0.086 0.000 1.214 201 F CB -0.157 38.838 39.000 -0.009 0.000 0.978 201 F HN 0.010 nan 8.300 nan 0.000 0.474 202 M N 0.367 119.869 119.600 -0.165 0.000 2.080 202 M HA -0.196 4.283 4.480 -0.001 0.000 0.260 202 M C 2.192 178.439 176.300 -0.088 0.000 1.068 202 M CA 2.161 57.334 55.300 -0.211 0.000 1.109 202 M CB -1.962 30.624 32.600 -0.024 0.000 1.342 202 M HN 0.170 nan 8.290 nan 0.000 0.405 203 T N 0.478 115.042 114.554 0.017 0.000 2.720 203 T HA -0.132 4.218 4.350 -0.001 0.000 0.268 203 T C 1.824 176.583 174.700 0.098 0.000 1.037 203 T CA 2.041 64.182 62.100 0.068 0.000 1.144 203 T CB -0.367 68.570 68.868 0.114 0.000 0.864 203 T HN 0.432 nan 8.240 nan 0.000 0.444 204 T N 0.802 115.418 114.554 0.103 0.000 2.737 204 T HA -0.085 4.264 4.350 -0.001 0.000 0.265 204 T C 1.628 176.365 174.700 0.062 0.000 1.038 204 T CA 1.205 63.376 62.100 0.118 0.000 1.144 204 T CB -0.546 68.423 68.868 0.168 0.000 0.866 204 T HN 0.476 nan 8.240 nan 0.000 0.434 205 Y N 1.400 121.558 120.300 -0.238 0.000 2.165 205 Y HA -0.121 4.428 4.550 -0.001 0.000 0.286 205 Y C 2.453 178.332 175.900 -0.034 0.000 1.155 205 Y CA 1.413 59.374 58.100 -0.232 0.000 1.164 205 Y CB -0.331 37.777 38.460 -0.585 0.000 0.978 205 Y HN 0.098 nan 8.280 nan 0.000 0.513 206 M N -0.384 119.215 119.600 -0.001 0.000 2.117 206 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 206 M C 2.249 178.636 176.300 0.145 0.000 1.065 206 M CA 2.041 57.362 55.300 0.035 0.000 1.114 206 M CB -0.380 32.261 32.600 0.069 0.000 1.361 206 M HN 0.423 nan 8.290 nan 0.000 0.408 207 A N -0.325 122.576 122.820 0.134 0.000 1.855 207 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 207 A C 2.003 179.704 177.584 0.195 0.000 1.191 207 A CA 1.821 53.953 52.037 0.159 0.000 0.613 207 A CB -1.078 18.008 19.000 0.144 0.000 0.829 207 A HN 0.410 nan 8.150 nan 0.000 0.442 208 V N 0.087 120.084 119.914 0.138 0.000 2.427 208 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 208 V C 2.720 178.877 176.094 0.106 0.000 1.051 208 V CA 2.228 64.612 62.300 0.139 0.000 1.048 208 V CB -0.720 31.207 31.823 0.173 0.000 0.666 208 V HN 0.543 nan 8.190 nan 0.000 0.456 209 S N -0.220 115.490 115.700 0.017 0.000 2.402 209 S HA -0.139 4.330 4.470 -0.001 0.000 0.229 209 S C 1.745 176.404 174.600 0.098 0.000 1.021 209 S CA 1.422 59.617 58.200 -0.009 0.000 0.974 209 S CB -0.407 62.644 63.200 -0.249 0.000 0.800 209 S HN 0.625 nan 8.310 nan 0.000 0.484 210 F N 2.156 122.122 119.950 0.027 0.000 2.234 210 F HA 0.062 4.588 4.527 -0.001 0.000 0.299 210 F C 1.666 177.483 175.800 0.030 0.000 1.087 210 F CA 0.793 58.833 58.000 0.066 0.000 1.340 210 F CB -0.262 38.804 39.000 0.111 0.000 1.031 210 F HN 0.114 nan 8.300 nan 0.000 0.500 211 I N -0.214 120.366 120.570 0.017 0.000 2.233 211 I HA -0.158 4.012 4.170 -0.001 0.000 0.243 211 I C 2.718 178.781 176.117 -0.089 0.000 1.093 211 I CA 1.320 62.580 61.300 -0.067 0.000 1.380 211 I CB -1.272 36.755 38.000 0.045 0.000 1.067 211 I HN 0.234 nan 8.210 nan 0.000 0.413 212 G N 0.065 108.845 108.800 -0.034 0.000 2.443 212 G HA2 0.101 4.060 3.960 -0.001 0.000 0.219 212 G HA3 0.101 4.060 3.960 -0.001 0.000 0.219 212 G C 1.255 176.121 174.900 -0.056 0.000 1.131 212 G CA 0.824 45.902 45.100 -0.037 0.000 0.775 212 G HN 0.605 nan 8.290 nan 0.000 0.547 213 G N -0.216 108.542 108.800 -0.072 0.000 2.565 213 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.295 213 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.295 213 G C 1.443 176.330 174.900 -0.021 0.000 1.165 213 G CA 1.977 47.034 45.100 -0.072 0.000 0.977 213 G HN 1.274 nan 8.290 nan 0.000 0.546 214 T N -1.822 112.719 114.554 -0.022 0.000 3.148 214 T HA 0.265 4.615 4.350 -0.001 0.000 0.253 214 T C 1.146 175.841 174.700 -0.008 0.000 1.134 214 T CA 1.637 63.734 62.100 -0.005 0.000 1.051 214 T CB 0.163 69.028 68.868 -0.005 0.000 0.959 214 T HN 0.414 nan 8.240 nan 0.000 0.525 215 D N 1.500 121.889 120.400 -0.019 0.000 2.340 215 D HA 0.331 4.971 4.640 -0.001 0.000 0.217 215 D C 1.390 177.662 176.300 -0.045 0.000 1.081 215 D CA 0.627 54.612 54.000 -0.026 0.000 0.842 215 D CB 0.177 40.962 40.800 -0.025 0.000 0.934 215 D HN 0.656 nan 8.370 nan 0.000 0.511 216 G N 1.439 110.222 108.800 -0.028 0.000 2.782 216 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.228 216 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.228 216 G C 0.972 175.855 174.900 -0.027 0.000 1.372 216 G CA -0.200 44.880 45.100 -0.032 0.000 0.862 216 G HN 0.195 nan 8.290 nan 0.000 0.547 217 W N -1.356 119.984 121.300 0.066 0.000 2.363 217 W HA -0.002 4.657 4.660 -0.001 0.000 0.296 217 W C 1.943 178.541 176.519 0.132 0.000 1.212 217 W CA 1.646 59.023 57.345 0.054 0.000 1.260 217 W CB -0.924 28.589 29.460 0.089 0.000 1.131 217 W HN 0.450 nan 8.180 nan 0.000 0.530 218 F N 2.818 122.332 119.950 -0.726 0.000 2.126 218 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 218 F C 2.684 178.361 175.800 -0.206 0.000 1.096 218 F CA 2.745 60.387 58.000 -0.596 0.000 1.255 218 F CB -0.777 37.695 39.000 -0.880 0.000 0.997 218 F HN -0.073 nan 8.300 nan 0.000 0.479 219 A N 0.177 122.914 122.820 -0.139 0.000 1.877 219 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 219 A C 2.541 180.056 177.584 -0.114 0.000 1.186 219 A CA 1.654 53.615 52.037 -0.127 0.000 0.620 219 A CB -1.810 17.156 19.000 -0.056 0.000 0.822 219 A HN 0.479 nan 8.150 nan 0.000 0.443 220 G N -0.461 108.314 108.800 -0.041 0.000 2.469 220 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 220 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 220 G C 1.510 176.421 174.900 0.018 0.000 1.150 220 G CA 1.446 46.553 45.100 0.012 0.000 0.763 220 G HN 0.345 nan 8.290 nan 0.000 0.561 221 V N 0.567 120.477 119.914 -0.007 0.000 2.307 221 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 221 V C 2.996 179.011 176.094 -0.132 0.000 1.045 221 V CA 2.256 64.543 62.300 -0.022 0.000 1.024 221 V CB -0.467 31.356 31.823 -0.001 0.000 0.651 221 V HN 0.496 nan 8.190 nan 0.000 0.449 222 S N -0.794 114.758 115.700 -0.247 0.000 2.383 222 S HA -0.202 4.267 4.470 -0.001 0.000 0.227 222 S C 2.059 176.596 174.600 -0.104 0.000 1.026 222 S CA 1.598 59.660 58.200 -0.230 0.000 0.981 222 S CB -0.183 62.818 63.200 -0.331 0.000 0.818 222 S HN 0.595 nan 8.310 nan 0.000 0.472 223 K N 0.955 121.313 120.400 -0.070 0.000 2.103 223 K HA -0.034 4.285 4.320 -0.001 0.000 0.204 223 K C 2.366 178.991 176.600 0.041 0.000 1.052 223 K CA 1.622 57.900 56.287 -0.015 0.000 0.945 223 K CB -0.279 32.209 32.500 -0.021 0.000 0.722 223 K HN 0.651 nan 8.250 nan 0.000 0.443 224 M N -0.553 119.089 119.600 0.071 0.000 2.229 224 M HA -0.054 4.425 4.480 -0.001 0.000 0.264 224 M C 1.977 178.444 176.300 0.277 0.000 1.063 224 M CA 1.455 56.862 55.300 0.179 0.000 1.114 224 M CB -0.366 32.375 32.600 0.236 0.000 1.387 224 M HN -0.105 nan 8.290 nan 0.000 0.420 225 V N 1.382 121.352 119.914 0.093 0.000 2.809 225 V HA -0.174 3.946 4.120 -0.001 0.000 0.256 225 V C 1.200 177.395 176.094 0.167 0.000 1.080 225 V CA 2.050 64.360 62.300 0.016 0.000 1.102 225 V CB -0.504 31.078 31.823 -0.403 0.000 0.705 225 V HN 0.470 nan 8.190 nan 0.000 0.475 226 D N 0.219 120.687 120.400 0.113 0.000 2.213 226 D HA 0.085 4.725 4.640 -0.001 0.000 0.205 226 D C 2.113 178.489 176.300 0.127 0.000 0.961 226 D CA 1.336 55.401 54.000 0.108 0.000 0.853 226 D CB -0.084 40.746 40.800 0.051 0.000 0.967 226 D HN 0.499 nan 8.370 nan 0.000 0.496 227 A N 0.177 123.076 122.820 0.132 0.000 1.970 227 A HA 0.377 4.696 4.320 -0.001 0.000 0.216 227 A C 1.343 179.030 177.584 0.171 0.000 1.170 227 A CA 1.170 53.281 52.037 0.124 0.000 0.645 227 A CB 0.135 19.192 19.000 0.095 0.000 0.816 227 A HN 0.153 nan 8.150 nan 0.000 0.447 228 A N -0.607 122.347 122.820 0.223 0.000 3.216 228 A HA 0.613 4.932 4.320 -0.001 0.000 0.321 228 A C -2.061 175.703 177.584 0.301 0.000 1.042 228 A CA -0.905 51.253 52.037 0.201 0.000 0.838 228 A CB 0.441 19.438 19.000 -0.004 0.000 1.136 228 A HN 0.121 nan 8.150 nan 0.000 0.483 229 P HA -0.036 nan 4.420 nan 0.000 0.221 229 P C 1.675 179.216 177.300 0.401 0.000 1.150 229 P CA 1.632 65.027 63.100 0.492 0.000 0.800 229 P CB 0.314 32.286 31.700 0.453 0.000 0.787 230 G N -1.261 107.684 108.800 0.242 0.000 2.534 230 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 230 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 230 G C 0.957 175.805 174.900 -0.087 0.000 1.128 230 G CA 0.523 45.690 45.100 0.110 0.000 0.784 230 G HN 0.336 nan 8.290 nan 0.000 0.542 231 H N -1.438 117.463 119.070 -0.281 0.000 2.539 231 H HA 0.292 4.848 4.556 -0.001 0.000 0.267 231 H C 0.771 175.594 175.328 -0.841 0.000 0.982 231 H CA 0.166 55.863 56.048 -0.586 0.000 1.146 231 H CB 0.117 29.438 29.762 -0.735 0.000 1.382 231 H HN 0.445 nan 8.280 nan 0.000 0.577 232 F N -0.413 119.435 119.950 -0.169 0.000 2.688 232 F HA 0.156 4.682 4.527 -0.001 0.000 0.310 232 F C 0.735 176.315 175.800 -0.366 0.000 1.098 232 F CA -0.332 57.414 58.000 -0.424 0.000 1.228 232 F CB 0.707 39.221 39.000 -0.808 0.000 1.042 232 F HN -0.002 nan 8.300 nan 0.000 0.557 233 E N 1.211 121.434 120.200 0.038 0.000 2.259 233 E HA 0.082 4.432 4.350 -0.001 0.000 0.281 233 E C 0.886 177.533 176.600 0.078 0.000 1.037 233 E CA -0.265 56.259 56.400 0.206 0.000 0.854 233 E CB 0.802 30.616 29.700 0.189 0.000 1.051 233 E HN 0.102 nan 8.360 nan 0.000 0.409 234 M N 3.467 123.159 119.600 0.153 0.000 2.447 234 M HA 0.168 4.648 4.480 -0.001 0.000 0.266 234 M C 0.258 176.649 176.300 0.150 0.000 1.120 234 M CA 0.532 55.904 55.300 0.121 0.000 1.166 234 M CB 0.045 32.769 32.600 0.207 0.000 1.349 234 M HN 0.469 nan 8.290 nan 0.000 0.463 235 I N 1.793 122.452 120.570 0.149 0.000 2.389 235 I HA 0.347 4.517 4.170 -0.001 0.000 0.288 235 I C -0.338 175.829 176.117 0.084 0.000 0.999 235 I CA -0.732 60.625 61.300 0.094 0.000 1.129 235 I CB 1.029 39.069 38.000 0.067 0.000 1.288 235 I HN 0.018 nan 8.210 nan 0.000 0.444 236 L N 4.803 126.075 121.223 0.083 0.000 2.350 236 L HA 0.343 4.682 4.340 -0.001 0.000 0.275 236 L C 0.475 177.491 176.870 0.243 0.000 1.099 236 L CA -0.496 54.426 54.840 0.138 0.000 0.808 236 L CB 0.811 42.943 42.059 0.122 0.000 1.149 236 L HN 0.459 nan 8.230 nan 0.000 0.442 237 D N 0.983 121.463 120.400 0.134 0.000 2.354 237 D HA 0.067 4.706 4.640 -0.001 0.000 0.247 237 D C 0.692 176.869 176.300 -0.204 0.000 1.138 237 D CA -0.213 53.786 54.000 -0.001 0.000 0.958 237 D CB 1.453 42.241 40.800 -0.021 0.000 1.144 237 D HN 0.467 nan 8.370 nan 0.000 0.458 238 Q N -0.119 119.339 119.800 -0.570 0.000 2.224 238 Q HA -0.120 4.219 4.340 -0.001 0.000 0.203 238 Q C 2.015 177.801 176.000 -0.357 0.000 0.970 238 Q CA 1.128 56.398 55.803 -0.889 0.000 0.865 238 Q CB -0.083 28.250 28.738 -0.675 0.000 0.922 238 Q HN 0.500 nan 8.270 nan 0.000 0.445 239 S N 0.254 115.837 115.700 -0.194 0.000 2.382 239 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 239 S C 1.106 175.676 174.600 -0.050 0.000 1.027 239 S CA 0.442 58.586 58.200 -0.094 0.000 0.991 239 S CB -0.426 62.739 63.200 -0.057 0.000 0.823 239 S HN 0.293 nan 8.310 nan 0.000 0.469 240 N N 3.376 122.059 118.700 -0.028 0.000 2.440 240 N HA 0.138 4.878 4.740 -0.001 0.000 0.265 240 N C -2.041 173.489 175.510 0.033 0.000 1.239 240 N CA -1.411 51.646 53.050 0.011 0.000 0.909 240 N CB 1.209 39.718 38.487 0.036 0.000 1.066 240 N HN 0.067 nan 8.380 nan 0.000 0.474 241 P HA -0.083 nan 4.420 nan 0.000 0.219 241 P C 0.768 178.091 177.300 0.038 0.000 1.146 241 P CA 1.007 64.121 63.100 0.022 0.000 0.808 241 P CB 0.377 32.081 31.700 0.008 0.000 0.779 242 Q N -2.320 117.493 119.800 0.022 0.000 2.444 242 Q HA -0.053 4.286 4.340 -0.001 0.000 0.206 242 Q C 1.601 177.620 176.000 0.032 0.000 0.948 242 Q CA 0.405 56.213 55.803 0.008 0.000 0.946 242 Q CB -0.632 28.072 28.738 -0.057 0.000 1.027 242 Q HN 0.409 nan 8.270 nan 0.000 0.513 243 Y N 0.549 120.816 120.300 -0.055 0.000 2.256 243 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 243 Y C 2.100 177.957 175.900 -0.073 0.000 1.155 243 Y CA 1.405 59.468 58.100 -0.062 0.000 1.203 243 Y CB 0.090 38.519 38.460 -0.051 0.000 0.980 243 Y HN 0.046 nan 8.280 nan 0.000 0.530 244 M N 0.441 120.097 119.600 0.093 0.000 2.267 244 M HA -0.229 4.250 4.480 -0.001 0.000 0.263 244 M C 1.258 177.504 176.300 -0.090 0.000 1.063 244 M CA 1.832 57.145 55.300 0.020 0.000 1.090 244 M CB -0.597 32.041 32.600 0.063 0.000 1.392 244 M HN 0.369 nan 8.290 nan 0.000 0.422 245 N N -1.555 117.095 118.700 -0.083 0.000 2.333 245 N HA 0.186 4.926 4.740 -0.001 0.000 0.183 245 N C -0.359 174.977 175.510 -0.289 0.000 1.030 245 N CA 0.364 53.359 53.050 -0.092 0.000 0.867 245 N CB 0.312 38.859 38.487 0.100 0.000 1.027 245 N HN 0.186 nan 8.380 nan 0.000 0.435 246 L N 2.639 123.718 121.223 -0.240 0.000 2.387 246 L HA 0.376 4.715 4.340 -0.001 0.000 0.259 246 L C -2.419 174.153 176.870 -0.497 0.000 1.050 246 L CA -1.599 53.069 54.840 -0.288 0.000 0.922 246 L CB 1.418 43.385 42.059 -0.153 0.000 1.280 246 L HN -0.078 nan 8.230 nan 0.000 0.449 247 P HA 0.075 nan 4.420 nan 0.000 0.256 247 P C 0.954 177.790 177.300 -0.774 0.000 1.688 247 P CA 0.577 62.909 63.100 -1.280 0.000 1.162 247 P CB 0.662 31.832 31.700 -0.882 0.000 1.870 248 G N 4.505 113.018 108.800 -0.477 0.000 2.690 248 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.334 248 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.334 248 G C 0.922 175.776 174.900 -0.077 0.000 1.250 248 G CA 0.542 45.624 45.100 -0.030 0.000 0.994 248 G HN 0.441 nan 8.290 nan 0.000 0.549 249 I N 2.350 122.898 120.570 -0.038 0.000 2.567 249 I HA 0.148 4.317 4.170 -0.001 0.000 0.257 249 I C 2.975 179.040 176.117 -0.087 0.000 1.184 249 I CA 2.095 63.356 61.300 -0.064 0.000 1.451 249 I CB -0.330 37.647 38.000 -0.039 0.000 1.089 249 I HN 0.691 nan 8.210 nan 0.000 0.441 250 A N -0.664 122.089 122.820 -0.111 0.000 2.186 250 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 250 A C 2.343 179.838 177.584 -0.147 0.000 1.159 250 A CA 1.499 53.466 52.037 -0.118 0.000 0.680 250 A CB -0.907 17.990 19.000 -0.171 0.000 0.787 250 A HN 0.321 nan 8.150 nan 0.000 0.467 251 V N -0.832 118.973 119.914 -0.181 0.000 2.871 251 V HA -0.081 4.038 4.120 -0.001 0.000 0.256 251 V C 2.082 178.023 176.094 -0.256 0.000 1.082 251 V CA 1.736 63.897 62.300 -0.233 0.000 1.105 251 V CB -0.174 31.541 31.823 -0.181 0.000 0.713 251 V HN 0.639 nan 8.190 nan 0.000 0.473 252 L N -0.847 120.276 121.223 -0.168 0.000 2.537 252 L HA 0.283 4.622 4.340 -0.001 0.000 0.224 252 L C 1.718 178.723 176.870 0.225 0.000 1.065 252 L CA 0.687 55.470 54.840 -0.096 0.000 0.860 252 L CB 0.178 42.134 42.059 -0.171 0.000 1.086 252 L HN 0.338 nan 8.230 nan 0.000 0.482 253 I N -4.311 116.360 120.570 0.168 0.000 4.338 253 I HA 0.486 4.655 4.170 -0.001 0.000 0.329 253 I C 0.828 177.062 176.117 0.194 0.000 1.378 253 I CA -0.212 61.218 61.300 0.217 0.000 1.170 253 I CB 0.255 38.290 38.000 0.058 0.000 1.206 253 I HN -0.024 nan 8.210 nan 0.000 0.432 254 G N 0.860 109.764 108.800 0.173 0.000 3.175 254 G HA2 0.427 4.387 3.960 -0.001 0.000 0.153 254 G HA3 0.427 4.387 3.960 -0.001 0.000 0.153 254 G C 0.897 175.861 174.900 0.107 0.000 1.216 254 G CA 0.018 45.162 45.100 0.073 0.000 0.943 254 G HN 0.036 nan 8.290 nan 0.000 0.611 255 G N -0.182 108.609 108.800 -0.015 0.000 2.485 255 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.221 255 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.221 255 G C 1.706 176.598 174.900 -0.013 0.000 1.115 255 G CA 1.289 46.383 45.100 -0.011 0.000 0.751 255 G HN 0.400 nan 8.290 nan 0.000 0.567 256 L N -0.691 120.455 121.223 -0.128 0.000 2.191 256 L HA 0.072 4.411 4.340 -0.001 0.000 0.212 256 L C 2.397 179.166 176.870 -0.168 0.000 1.103 256 L CA 1.237 55.916 54.840 -0.268 0.000 0.769 256 L CB -0.513 41.256 42.059 -0.483 0.000 0.908 256 L HN 0.432 nan 8.230 nan 0.000 0.438 257 W N -1.372 119.917 121.300 -0.019 0.000 2.363 257 W HA -0.145 4.514 4.660 -0.000 0.000 0.296 257 W C 2.429 179.021 176.519 0.122 0.000 1.212 257 W CA 1.316 58.692 57.345 0.052 0.000 1.260 257 W CB -0.573 28.908 29.460 0.035 0.000 1.131 257 W HN -0.083 nan 8.180 nan 0.000 0.530 258 V N 0.602 120.702 119.914 0.309 0.000 2.295 258 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 258 V C 2.372 178.644 176.094 0.296 0.000 1.049 258 V CA 2.014 64.478 62.300 0.273 0.000 1.024 258 V CB -1.678 30.249 31.823 0.173 0.000 0.648 258 V HN 0.222 nan 8.190 nan 0.000 0.447 259 A N 0.677 123.630 122.820 0.221 0.000 1.865 259 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 259 A C 2.104 179.895 177.584 0.345 0.000 1.191 259 A CA 2.304 54.492 52.037 0.251 0.000 0.623 259 A CB -0.720 18.389 19.000 0.181 0.000 0.826 259 A HN 0.593 nan 8.150 nan 0.000 0.444 260 N N -0.056 118.818 118.700 0.290 0.000 2.171 260 N HA -0.036 4.703 4.740 -0.001 0.000 0.184 260 N C 1.695 177.508 175.510 0.504 0.000 1.021 260 N CA 1.294 54.582 53.050 0.397 0.000 0.854 260 N CB -0.519 38.116 38.487 0.247 0.000 0.994 260 N HN 0.472 nan 8.380 nan 0.000 0.426 261 L N -0.286 121.221 121.223 0.474 0.000 2.083 261 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 261 L C 2.307 179.528 176.870 0.584 0.000 1.083 261 L CA 1.013 56.132 54.840 0.466 0.000 0.752 261 L CB -0.450 41.917 42.059 0.512 0.000 0.899 261 L HN 0.152 nan 8.230 nan 0.000 0.433 262 Y N -0.822 119.772 120.300 0.489 0.000 2.200 262 Y HA -0.329 4.221 4.550 -0.001 0.000 0.290 262 Y C 2.557 178.700 175.900 0.405 0.000 1.137 262 Y CA 1.503 59.915 58.100 0.519 0.000 1.163 262 Y CB -0.342 38.361 38.460 0.404 0.000 0.988 262 Y HN 0.121 nan 8.280 nan 0.000 0.518 263 Y N -0.976 119.457 120.300 0.221 0.000 2.109 263 Y HA -0.251 4.298 4.550 -0.001 0.000 0.285 263 Y C 1.787 177.523 175.900 -0.275 0.000 1.131 263 Y CA 2.212 60.245 58.100 -0.113 0.000 1.121 263 Y CB -0.765 37.577 38.460 -0.197 0.000 0.987 263 Y HN 0.150 nan 8.280 nan 0.000 0.495 264 W N -0.525 120.909 121.300 0.222 0.000 2.480 264 W HA 0.120 4.780 4.660 -0.001 0.000 0.299 264 W C 2.685 179.150 176.519 -0.089 0.000 1.187 264 W CA 1.114 58.495 57.345 0.059 0.000 1.347 264 W CB -1.003 28.535 29.460 0.129 0.000 1.121 264 W HN 0.130 nan 8.180 nan 0.000 0.533 265 G N -0.098 108.760 108.800 0.096 0.000 2.433 265 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 265 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 265 G C 1.145 175.868 174.900 -0.295 0.000 1.186 265 G CA 1.222 46.168 45.100 -0.256 0.000 0.779 265 G HN 0.223 nan 8.290 nan 0.000 0.543 266 F N -0.513 119.502 119.950 0.109 0.000 2.532 266 F HA 0.265 4.791 4.527 -0.001 0.000 0.278 266 F C 2.255 177.916 175.800 -0.232 0.000 0.975 266 F CA 0.272 58.241 58.000 -0.052 0.000 1.292 266 F CB -0.404 38.615 39.000 0.031 0.000 1.112 266 F HN 0.011 nan 8.300 nan 0.000 0.703 267 N N 0.976 119.605 118.700 -0.119 0.000 2.120 267 N HA -0.198 4.541 4.740 -0.001 0.000 0.188 267 N C 0.743 176.120 175.510 -0.221 0.000 1.024 267 N CA 0.672 53.575 53.050 -0.244 0.000 0.852 267 N CB -0.290 37.943 38.487 -0.423 0.000 1.003 267 N HN 0.217 nan 8.380 nan 0.000 0.424 268 Q N 0.219 119.799 119.800 -0.367 0.000 2.388 268 Q HA -0.148 4.191 4.340 -0.001 0.000 0.302 268 Q C 0.173 175.974 176.000 -0.331 0.000 1.149 268 Q CA 0.193 55.727 55.803 -0.450 0.000 1.014 268 Q CB -0.002 28.509 28.738 -0.379 0.000 1.072 268 Q HN 0.616 nan 8.270 nan 0.000 0.395 269 Y N 2.309 122.428 120.300 -0.300 0.000 2.436 269 Y HA 0.124 4.674 4.550 -0.001 0.000 0.288 269 Y C 1.289 177.011 175.900 -0.297 0.000 1.112 269 Y CA -0.137 57.769 58.100 -0.325 0.000 1.220 269 Y CB -0.083 38.204 38.460 -0.289 0.000 1.073 269 Y HN 0.478 nan 8.280 nan 0.000 0.552 270 I N 1.027 121.187 120.570 -0.682 0.000 2.361 270 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 270 I C 2.486 178.468 176.117 -0.226 0.000 1.133 270 I CA 1.417 62.449 61.300 -0.446 0.000 1.413 270 I CB -0.224 37.461 38.000 -0.525 0.000 1.073 270 I HN 0.364 nan 8.210 nan 0.000 0.424 271 I N 0.354 120.807 120.570 -0.196 0.000 2.202 271 I HA -0.351 3.818 4.170 -0.001 0.000 0.242 271 I C 2.488 178.560 176.117 -0.076 0.000 1.091 271 I CA 1.634 62.892 61.300 -0.069 0.000 1.368 271 I CB 0.048 38.058 38.000 0.017 0.000 1.058 271 I HN 0.218 nan 8.210 nan 0.000 0.410 272 Q N 0.571 120.273 119.800 -0.163 0.000 2.020 272 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 272 Q C 2.273 178.189 176.000 -0.139 0.000 0.982 272 Q CA 1.929 57.642 55.803 -0.150 0.000 0.838 272 Q CB -0.301 28.276 28.738 -0.268 0.000 0.899 272 Q HN 0.414 nan 8.270 nan 0.000 0.423 273 R N -0.434 119.923 120.500 -0.238 0.000 2.080 273 R HA -0.100 4.240 4.340 -0.001 0.000 0.236 273 R C 2.189 178.458 176.300 -0.051 0.000 1.137 273 R CA 1.812 57.795 56.100 -0.196 0.000 0.943 273 R CB -0.643 29.514 30.300 -0.239 0.000 0.846 273 R HN 0.211 nan 8.270 nan 0.000 0.431 274 T N 1.152 115.676 114.554 -0.051 0.000 3.072 274 T HA -0.009 4.340 4.350 -0.001 0.000 0.266 274 T C 1.608 176.313 174.700 0.009 0.000 1.127 274 T CA 0.554 62.647 62.100 -0.012 0.000 1.107 274 T CB 0.052 68.914 68.868 -0.009 0.000 0.910 274 T HN 0.161 nan 8.240 nan 0.000 0.513 275 L N 0.760 121.990 121.223 0.012 0.000 2.145 275 L HA 0.318 4.657 4.340 -0.001 0.000 0.201 275 L C 2.343 179.239 176.870 0.043 0.000 1.075 275 L CA 0.542 55.403 54.840 0.034 0.000 0.773 275 L CB -0.333 41.753 42.059 0.044 0.000 0.936 275 L HN 0.175 nan 8.230 nan 0.000 0.451 276 A N -0.266 122.590 122.820 0.059 0.000 2.247 276 A HA 0.195 4.514 4.320 -0.001 0.000 0.205 276 A C 1.553 179.182 177.584 0.075 0.000 1.261 276 A CA 0.864 52.955 52.037 0.089 0.000 0.853 276 A CB -0.846 18.250 19.000 0.161 0.000 0.793 276 A HN 0.477 nan 8.150 nan 0.000 0.487 277 A N -1.498 121.351 122.820 0.048 0.000 2.500 277 A HA 0.555 4.874 4.320 -0.001 0.000 0.267 277 A C 0.793 178.381 177.584 0.007 0.000 1.290 277 A CA 0.648 52.701 52.037 0.028 0.000 0.928 277 A CB -0.041 18.969 19.000 0.016 0.000 1.066 277 A HN 0.442 nan 8.150 nan 0.000 0.516 278 K N -1.796 118.614 120.400 0.016 0.000 1.636 278 K HA 0.325 4.645 4.320 -0.001 0.000 0.293 278 K C -0.274 176.338 176.600 0.020 0.000 0.829 278 K CA 0.450 56.744 56.287 0.012 0.000 0.384 278 K CB -0.011 32.492 32.500 0.004 0.000 3.022 278 K HN 0.134 nan 8.250 nan 0.000 1.074 279 S N -0.212 115.501 115.700 0.022 0.000 2.638 279 S HA 0.402 4.871 4.470 -0.001 0.000 0.298 279 S C 0.915 175.527 174.600 0.020 0.000 1.111 279 S CA -0.425 57.786 58.200 0.018 0.000 1.027 279 S CB 1.620 64.830 63.200 0.017 0.000 1.064 279 S HN 0.274 nan 8.310 nan 0.000 0.525 280 V N 3.187 123.106 119.914 0.008 0.000 2.307 280 V HA -0.078 4.041 4.120 -0.001 0.000 0.245 280 V C 2.804 178.892 176.094 -0.010 0.000 1.045 280 V CA 2.322 64.623 62.300 0.001 0.000 1.024 280 V CB -1.104 30.710 31.823 -0.015 0.000 0.651 280 V HN 0.994 nan 8.190 nan 0.000 0.449 281 S N -0.240 115.446 115.700 -0.023 0.000 2.365 281 S HA -0.329 4.141 4.470 -0.001 0.000 0.225 281 S C 2.054 176.662 174.600 0.014 0.000 1.039 281 S CA 2.424 60.605 58.200 -0.031 0.000 1.033 281 S CB -0.310 62.872 63.200 -0.029 0.000 0.887 281 S HN 0.668 nan 8.310 nan 0.000 0.447 282 E N 0.929 121.153 120.200 0.040 0.000 2.051 282 E HA -0.001 4.349 4.350 -0.001 0.000 0.192 282 E C 2.035 178.712 176.600 0.129 0.000 0.991 282 E CA 1.528 57.982 56.400 0.091 0.000 0.799 282 E CB -0.694 29.057 29.700 0.085 0.000 0.748 282 E HN 0.574 nan 8.360 nan 0.000 0.449 283 A N 0.073 122.948 122.820 0.092 0.000 2.066 283 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 283 A C 2.013 179.680 177.584 0.139 0.000 1.157 283 A CA 1.214 53.316 52.037 0.108 0.000 0.670 283 A CB -0.379 18.664 19.000 0.072 0.000 0.804 283 A HN 0.319 nan 8.150 nan 0.000 0.453 284 Q N -0.147 119.715 119.800 0.104 0.000 2.167 284 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 284 Q C 1.784 177.990 176.000 0.345 0.000 0.970 284 Q CA 1.381 57.265 55.803 0.134 0.000 0.855 284 Q CB -0.148 28.504 28.738 -0.144 0.000 0.911 284 Q HN 0.645 nan 8.270 nan 0.000 0.438 285 K N -0.023 120.532 120.400 0.258 0.000 2.097 285 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 285 K C 2.095 178.913 176.600 0.363 0.000 1.049 285 K CA 1.156 57.579 56.287 0.227 0.000 0.933 285 K CB -0.213 32.342 32.500 0.091 0.000 0.717 285 K HN 0.250 nan 8.250 nan 0.000 0.442 286 G N 1.919 110.946 108.800 0.378 0.000 2.404 286 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.215 286 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.215 286 G C 1.485 176.593 174.900 0.347 0.000 1.174 286 G CA 0.444 45.790 45.100 0.410 0.000 0.780 286 G HN 0.038 nan 8.290 nan 0.000 0.537 287 I N 0.867 121.595 120.570 0.264 0.000 2.127 287 I HA -0.125 4.045 4.170 -0.001 0.000 0.241 287 I C 2.836 179.051 176.117 0.164 0.000 1.075 287 I CA 0.845 62.263 61.300 0.196 0.000 1.334 287 I CB -1.464 36.667 38.000 0.218 0.000 1.040 287 I HN 0.084 nan 8.210 nan 0.000 0.405 288 V N 0.623 120.659 119.914 0.204 0.000 2.490 288 V HA -0.283 3.836 4.120 -0.001 0.000 0.250 288 V C 2.397 178.600 176.094 0.182 0.000 1.061 288 V CA 1.542 63.860 62.300 0.030 0.000 1.064 288 V CB -0.504 31.154 31.823 -0.275 0.000 0.670 288 V HN 0.293 nan 8.190 nan 0.000 0.461 289 F N 1.441 121.491 119.950 0.167 0.000 2.113 289 F HA 0.003 4.529 4.527 -0.001 0.000 0.297 289 F C 2.250 178.201 175.800 0.253 0.000 1.103 289 F CA 1.430 59.608 58.000 0.297 0.000 1.248 289 F CB -0.926 38.375 39.000 0.502 0.000 0.999 289 F HN 0.163 nan 8.300 nan 0.000 0.475 290 A N 0.347 123.214 122.820 0.078 0.000 1.978 290 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 290 A C 2.423 179.911 177.584 -0.160 0.000 1.170 290 A CA 1.855 53.834 52.037 -0.097 0.000 0.636 290 A CB -1.510 17.463 19.000 -0.043 0.000 0.810 290 A HN 0.482 nan 8.150 nan 0.000 0.448 291 A N -1.105 121.656 122.820 -0.099 0.000 1.898 291 A HA 0.008 4.327 4.320 -0.001 0.000 0.216 291 A C 2.025 179.577 177.584 -0.053 0.000 1.181 291 A CA 1.544 53.509 52.037 -0.121 0.000 0.620 291 A CB -0.664 18.282 19.000 -0.090 0.000 0.819 291 A HN 0.788 nan 8.150 nan 0.000 0.442 292 F N 0.674 120.567 119.950 -0.095 0.000 2.146 292 F HA -0.054 4.472 4.527 -0.001 0.000 0.298 292 F C 1.725 177.467 175.800 -0.096 0.000 1.096 292 F CA 1.478 59.441 58.000 -0.062 0.000 1.275 292 F CB -0.299 38.721 39.000 0.033 0.000 1.008 292 F HN 0.111 nan 8.300 nan 0.000 0.480 293 L N 0.227 121.175 121.223 -0.459 0.000 2.275 293 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 293 L C 2.701 179.395 176.870 -0.293 0.000 1.119 293 L CA 0.840 55.385 54.840 -0.491 0.000 0.790 293 L CB -1.144 40.670 42.059 -0.410 0.000 0.919 293 L HN 0.298 nan 8.230 nan 0.000 0.443 294 A N 0.222 122.918 122.820 -0.207 0.000 2.067 294 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 294 A C 2.186 179.777 177.584 0.012 0.000 1.158 294 A CA 1.097 53.083 52.037 -0.085 0.000 0.661 294 A CB -0.439 18.497 19.000 -0.106 0.000 0.801 294 A HN 0.409 nan 8.150 nan 0.000 0.452 295 L N -0.243 120.921 121.223 -0.098 0.000 2.240 295 L HA -0.077 4.262 4.340 -0.001 0.000 0.211 295 L C 2.030 178.997 176.870 0.162 0.000 1.106 295 L CA 0.390 55.199 54.840 -0.050 0.000 0.793 295 L CB -0.400 41.486 42.059 -0.289 0.000 0.927 295 L HN 0.325 nan 8.230 nan 0.000 0.446 296 I N -1.180 119.380 120.570 -0.016 0.000 2.480 296 I HA -0.103 4.066 4.170 -0.001 0.000 0.251 296 I C 2.588 178.799 176.117 0.156 0.000 1.124 296 I CA 0.796 62.169 61.300 0.121 0.000 1.444 296 I CB -1.121 36.814 38.000 -0.109 0.000 1.098 296 I HN 0.014 nan 8.210 nan 0.000 0.428 297 V N 2.655 122.583 119.914 0.022 0.000 2.278 297 V HA -0.197 3.922 4.120 -0.001 0.000 0.251 297 V C -0.097 175.921 176.094 -0.126 0.000 1.062 297 V CA 2.385 64.654 62.300 -0.051 0.000 1.038 297 V CB -2.208 29.569 31.823 -0.076 0.000 0.646 297 V HN 0.292 nan 8.190 nan 0.000 0.447 298 P HA -0.127 nan 4.420 nan 0.000 0.221 298 P C 1.425 178.517 177.300 -0.346 0.000 1.145 298 P CA 1.372 64.243 63.100 -0.382 0.000 0.795 298 P CB -0.190 31.133 31.700 -0.629 0.000 0.775 299 F N -1.575 118.384 119.950 0.016 0.000 2.604 299 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 299 F C 2.048 177.879 175.800 0.052 0.000 1.131 299 F CA 0.747 58.783 58.000 0.061 0.000 1.457 299 F CB -0.539 38.520 39.000 0.098 0.000 1.095 299 F HN -0.134 nan 8.300 nan 0.000 0.574 300 L N -0.956 120.329 121.223 0.104 0.000 2.362 300 L HA 0.007 4.346 4.340 -0.001 0.000 0.204 300 L C 2.263 179.091 176.870 -0.070 0.000 1.060 300 L CA 0.522 55.422 54.840 0.101 0.000 0.827 300 L CB -0.394 41.724 42.059 0.099 0.000 1.027 300 L HN 0.048 nan 8.230 nan 0.000 0.474 301 V N -4.741 114.941 119.914 -0.386 0.000 2.825 301 V HA 0.058 4.177 4.120 -0.001 0.000 0.246 301 V C 1.976 177.867 176.094 -0.340 0.000 1.068 301 V CA 0.366 62.282 62.300 -0.641 0.000 1.088 301 V CB 0.106 31.414 31.823 -0.859 0.000 0.733 301 V HN 0.086 nan 8.190 nan 0.000 0.468 302 V N -0.115 119.635 119.914 -0.274 0.000 2.283 302 V HA -0.022 4.097 4.120 -0.001 0.000 0.239 302 V C 2.436 178.478 176.094 -0.087 0.000 1.035 302 V CA 1.682 63.843 62.300 -0.231 0.000 1.018 302 V CB -0.401 31.217 31.823 -0.342 0.000 0.658 302 V HN 0.473 nan 8.190 nan 0.000 0.459 303 L N 0.972 122.181 121.223 -0.023 0.000 2.082 303 L HA -0.213 4.127 4.340 -0.001 0.000 0.223 303 L C -0.182 176.786 176.870 0.163 0.000 1.086 303 L CA 2.761 57.667 54.840 0.111 0.000 0.793 303 L CB -1.757 40.427 42.059 0.209 0.000 0.896 303 L HN 0.275 nan 8.230 nan 0.000 0.441 304 P HA -0.138 nan 4.420 nan 0.000 0.216 304 P C 1.630 179.088 177.300 0.264 0.000 1.153 304 P CA 1.877 65.145 63.100 0.280 0.000 0.858 304 P CB -0.412 31.541 31.700 0.422 0.000 0.789 305 G N -0.335 108.592 108.800 0.211 0.000 2.440 305 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 305 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 305 G C 1.478 176.527 174.900 0.248 0.000 1.154 305 G CA 0.730 45.967 45.100 0.229 0.000 0.767 305 G HN 0.250 nan 8.290 nan 0.000 0.552 306 I N 1.413 122.071 120.570 0.147 0.000 2.202 306 I HA -0.118 4.052 4.170 -0.001 0.000 0.242 306 I C 3.314 179.533 176.117 0.170 0.000 1.091 306 I CA 0.964 62.313 61.300 0.083 0.000 1.368 306 I CB -0.412 37.535 38.000 -0.089 0.000 1.058 306 I HN 0.215 nan 8.210 nan 0.000 0.410 307 A N 1.119 124.064 122.820 0.209 0.000 1.892 307 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 307 A C 2.583 180.310 177.584 0.238 0.000 1.188 307 A CA 2.374 54.545 52.037 0.223 0.000 0.631 307 A CB -1.094 18.041 19.000 0.224 0.000 0.822 307 A HN 0.455 nan 8.150 nan 0.000 0.447 308 A N -1.478 121.508 122.820 0.277 0.000 1.883 308 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 308 A C 2.166 179.889 177.584 0.232 0.000 1.186 308 A CA 1.889 54.103 52.037 0.296 0.000 0.624 308 A CB -0.975 18.191 19.000 0.276 0.000 0.822 308 A HN 0.829 nan 8.150 nan 0.000 0.444 309 Y N 0.733 121.167 120.300 0.224 0.000 2.097 309 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 309 Y C 2.380 178.270 175.900 -0.017 0.000 1.152 309 Y CA 2.252 60.432 58.100 0.133 0.000 1.136 309 Y CB -0.538 37.798 38.460 -0.207 0.000 0.975 309 Y HN 0.064 nan 8.280 nan 0.000 0.498 310 V N 0.752 120.706 119.914 0.065 0.000 2.282 310 V HA -0.373 3.746 4.120 -0.001 0.000 0.249 310 V C 2.356 178.430 176.094 -0.033 0.000 1.057 310 V CA 2.358 64.664 62.300 0.011 0.000 1.032 310 V CB -0.769 31.127 31.823 0.122 0.000 0.645 310 V HN 0.490 nan 8.190 nan 0.000 0.447 311 I N -0.611 119.994 120.570 0.058 0.000 2.163 311 I HA -0.220 3.949 4.170 -0.001 0.000 0.240 311 I C 2.620 178.745 176.117 0.013 0.000 1.081 311 I CA 1.921 63.293 61.300 0.119 0.000 1.353 311 I CB -0.774 37.405 38.000 0.299 0.000 1.054 311 I HN 0.229 nan 8.210 nan 0.000 0.407 312 T N 0.330 114.819 114.554 -0.107 0.000 2.685 312 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 312 T C 1.916 176.480 174.700 -0.226 0.000 1.034 312 T CA 2.064 64.013 62.100 -0.251 0.000 1.149 312 T CB -0.279 68.372 68.868 -0.362 0.000 0.860 312 T HN 0.549 nan 8.240 nan 0.000 0.449 313 S N 0.012 115.519 115.700 -0.323 0.000 2.562 313 S HA 0.049 4.518 4.470 -0.001 0.000 0.221 313 S C 0.518 175.013 174.600 -0.174 0.000 0.975 313 S CA -0.107 57.895 58.200 -0.329 0.000 0.918 313 S CB 0.044 62.868 63.200 -0.627 0.000 0.772 313 S HN 0.354 nan 8.310 nan 0.000 0.531 314 D N 2.854 123.185 120.400 -0.116 0.000 2.317 314 D HA 0.273 4.912 4.640 -0.001 0.000 0.234 314 D C -1.718 174.560 176.300 -0.037 0.000 1.112 314 D CA -2.046 51.916 54.000 -0.062 0.000 0.840 314 D CB 2.054 42.828 40.800 -0.044 0.000 1.078 314 D HN 0.069 nan 8.370 nan 0.000 0.486 315 P HA -0.079 nan 4.420 nan 0.000 0.227 315 P C 1.198 178.496 177.300 -0.004 0.000 1.161 315 P CA 0.643 63.733 63.100 -0.017 0.000 0.788 315 P CB 0.613 32.302 31.700 -0.019 0.000 0.822 316 Q N 0.035 119.827 119.800 -0.014 0.000 2.049 316 Q HA -0.045 4.294 4.340 -0.001 0.000 0.198 316 Q C 2.263 178.256 176.000 -0.011 0.000 0.971 316 Q CA 0.987 56.780 55.803 -0.016 0.000 0.833 316 Q CB -0.468 28.250 28.738 -0.034 0.000 0.896 316 Q HN 0.171 nan 8.270 nan 0.000 0.434 317 L N 0.039 121.249 121.223 -0.022 0.000 2.141 317 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 317 L C 2.466 179.430 176.870 0.157 0.000 1.094 317 L CA 0.513 55.353 54.840 -0.001 0.000 0.763 317 L CB -0.217 41.820 42.059 -0.036 0.000 0.908 317 L HN 0.366 nan 8.230 nan 0.000 0.437 318 M N -0.699 118.965 119.600 0.106 0.000 2.156 318 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 318 M C 2.554 178.916 176.300 0.104 0.000 1.067 318 M CA 1.748 57.118 55.300 0.117 0.000 1.131 318 M CB -1.323 31.309 32.600 0.054 0.000 1.368 318 M HN 0.234 nan 8.290 nan 0.000 0.416 319 A N -0.893 121.968 122.820 0.069 0.000 2.019 319 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 319 A C 2.494 180.125 177.584 0.078 0.000 1.164 319 A CA 2.004 54.076 52.037 0.058 0.000 0.644 319 A CB -0.821 18.199 19.000 0.034 0.000 0.805 319 A HN 0.488 nan 8.150 nan 0.000 0.449 320 S N -0.437 115.328 115.700 0.109 0.000 2.368 320 S HA -0.115 4.355 4.470 -0.001 0.000 0.225 320 S C 1.882 176.595 174.600 0.189 0.000 1.030 320 S CA 1.553 59.842 58.200 0.148 0.000 0.999 320 S CB -0.432 62.872 63.200 0.172 0.000 0.844 320 S HN 0.512 nan 8.310 nan 0.000 0.459 321 L N 0.769 122.111 121.223 0.197 0.000 2.072 321 L HA 0.210 4.549 4.340 -0.001 0.000 0.205 321 L C 1.608 178.531 176.870 0.089 0.000 1.079 321 L CA 0.491 55.408 54.840 0.129 0.000 0.752 321 L CB -1.283 40.810 42.059 0.057 0.000 0.906 321 L HN 0.585 nan 8.230 nan 0.000 0.436 329 L N 2.927 124.043 121.223 -0.179 0.000 2.485 329 L HA 0.229 4.569 4.340 -0.001 0.000 0.275 329 L C -1.598 174.998 176.870 -0.457 0.000 1.207 329 L CA -0.623 53.899 54.840 -0.530 0.000 0.855 329 L CB -0.177 41.614 42.059 -0.448 0.000 1.114 329 L HN -0.011 nan 8.230 nan 0.000 0.485 330 P HA 0.107 nan 4.420 nan 0.000 0.268 330 P C -0.849 176.162 177.300 -0.482 0.000 1.204 330 P CA -0.245 62.466 63.100 -0.648 0.000 0.768 330 P CB 1.066 32.091 31.700 -1.124 0.000 0.842 331 S N 1.290 116.882 115.700 -0.181 0.000 2.740 331 S HA 0.674 5.143 4.470 -0.001 0.000 0.300 331 S C 1.202 175.969 174.600 0.278 0.000 1.147 331 S CA -0.199 58.050 58.200 0.082 0.000 0.871 331 S CB 1.205 64.417 63.200 0.020 0.000 1.173 331 S HN 0.338 nan 8.310 nan 0.000 0.510 332 A N 0.637 123.599 122.820 0.236 0.000 1.902 332 A HA 0.267 4.586 4.320 -0.001 0.000 0.217 332 A C 2.219 179.896 177.584 0.155 0.000 1.181 332 A CA 1.779 53.941 52.037 0.208 0.000 0.623 332 A CB -1.587 17.483 19.000 0.117 0.000 0.818 332 A HN 1.443 nan 8.150 nan 0.000 0.443 333 A N -0.998 121.885 122.820 0.105 0.000 2.119 333 A HA 0.024 4.344 4.320 -0.001 0.000 0.217 333 A C 0.979 178.618 177.584 0.092 0.000 1.153 333 A CA 0.900 52.984 52.037 0.078 0.000 0.692 333 A CB -0.125 18.905 19.000 0.050 0.000 0.799 333 A HN 0.462 nan 8.150 nan 0.000 0.458 334 N N -0.785 117.970 118.700 0.091 0.000 2.642 334 N HA 0.340 5.080 4.740 -0.001 0.000 0.308 334 N C 0.805 176.335 175.510 0.034 0.000 1.914 334 N CA 0.628 53.726 53.050 0.080 0.000 0.893 334 N CB 1.044 39.553 38.487 0.036 0.000 1.322 334 N HN 0.285 nan 8.380 nan 0.000 0.490 335 A N 0.452 123.342 122.820 0.117 0.000 1.940 335 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 335 A C 1.484 179.098 177.584 0.050 0.000 1.176 335 A CA 1.281 53.405 52.037 0.145 0.000 0.631 335 A CB -0.053 19.143 19.000 0.327 0.000 0.814 335 A HN 0.208 nan 8.150 nan 0.000 0.446 336 D N -0.347 120.116 120.400 0.104 0.000 2.392 336 D HA -0.053 4.587 4.640 -0.001 0.000 0.228 336 D C 1.319 177.647 176.300 0.047 0.000 1.003 336 D CA 0.660 54.721 54.000 0.102 0.000 0.917 336 D CB -0.096 40.798 40.800 0.157 0.000 0.890 336 D HN 0.522 nan 8.370 nan 0.000 0.532 337 K N 0.580 120.969 120.400 -0.019 0.000 2.418 337 K HA 0.083 4.403 4.320 -0.001 0.000 0.195 337 K C 2.012 178.620 176.600 0.015 0.000 1.035 337 K CA 0.174 56.447 56.287 -0.022 0.000 1.003 337 K CB 0.292 32.749 32.500 -0.072 0.000 0.793 337 K HN -0.014 nan 8.250 nan 0.000 0.494 338 A N 1.178 123.974 122.820 -0.040 0.000 1.849 338 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 338 A C 2.044 179.770 177.584 0.237 0.000 1.202 338 A CA 1.605 53.660 52.037 0.029 0.000 0.629 338 A CB -0.887 18.113 19.000 -0.001 0.000 0.834 338 A HN 0.399 nan 8.150 nan 0.000 0.447 339 Y N 1.187 121.565 120.300 0.129 0.000 2.163 339 Y HA -0.055 4.494 4.550 -0.001 0.000 0.288 339 Y C -0.679 175.301 175.900 0.132 0.000 1.136 339 Y CA 1.933 60.122 58.100 0.148 0.000 1.147 339 Y CB -1.201 37.357 38.460 0.165 0.000 0.987 339 Y HN 0.269 nan 8.280 nan 0.000 0.509 340 P HA -0.167 nan 4.420 nan 0.000 0.220 340 P C 1.046 178.330 177.300 -0.026 0.000 1.148 340 P CA 1.836 64.919 63.100 -0.028 0.000 0.803 340 P CB -0.400 31.340 31.700 0.067 0.000 0.782 341 W N 0.347 121.572 121.300 -0.125 0.000 2.379 341 W HA -0.116 4.543 4.660 -0.001 0.000 0.307 341 W C 1.892 178.327 176.519 -0.140 0.000 1.200 341 W CA 1.319 58.587 57.345 -0.129 0.000 1.297 341 W CB -0.914 28.467 29.460 -0.132 0.000 1.140 341 W HN -0.222 nan 8.180 nan 0.000 0.507 342 L N 0.349 121.492 121.223 -0.133 0.000 2.017 342 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 342 L C 2.795 179.487 176.870 -0.297 0.000 1.073 342 L CA 2.107 56.764 54.840 -0.306 0.000 0.745 342 L CB -1.549 40.473 42.059 -0.062 0.000 0.894 342 L HN 0.145 nan 8.230 nan 0.000 0.432 343 T N -2.166 112.182 114.554 -0.344 0.000 2.897 343 T HA -0.274 4.076 4.350 -0.001 0.000 0.271 343 T C 1.661 176.228 174.700 -0.223 0.000 1.084 343 T CA 1.466 63.383 62.100 -0.305 0.000 1.123 343 T CB -0.443 68.201 68.868 -0.372 0.000 0.865 343 T HN 0.603 nan 8.240 nan 0.000 0.496 344 Q N -0.254 119.394 119.800 -0.254 0.000 2.172 344 Q HA 0.000 4.340 4.340 -0.001 0.000 0.200 344 Q C 2.031 177.911 176.000 -0.200 0.000 0.964 344 Q CA 0.855 56.517 55.803 -0.235 0.000 0.855 344 Q CB -0.815 27.770 28.738 -0.255 0.000 0.918 344 Q HN 0.553 nan 8.270 nan 0.000 0.444 345 F N 1.808 121.508 119.950 -0.418 0.000 2.546 345 F HA 0.138 4.664 4.527 -0.001 0.000 0.298 345 F C 0.482 176.119 175.800 -0.272 0.000 1.120 345 F CA -0.024 57.736 58.000 -0.400 0.000 1.456 345 F CB 0.105 38.763 39.000 -0.570 0.000 1.088 345 F HN -0.054 nan 8.300 nan 0.000 0.572 346 L N 1.711 122.806 121.223 -0.213 0.000 2.516 346 L HA 0.010 4.349 4.340 -0.001 0.000 0.288 346 L C -1.595 175.152 176.870 -0.206 0.000 1.246 346 L CA -1.543 53.180 54.840 -0.195 0.000 0.844 346 L CB -0.303 41.683 42.059 -0.121 0.000 1.106 346 L HN -0.024 nan 8.230 nan 0.000 0.509 347 P HA 0.010 nan 4.420 nan 0.000 0.277 347 P C 0.797 178.048 177.300 -0.082 0.000 1.276 347 P CA -0.541 62.482 63.100 -0.129 0.000 0.788 347 P CB 0.396 32.044 31.700 -0.087 0.000 1.114 348 V N -2.012 117.867 119.914 -0.058 0.000 2.295 348 V HA -0.135 3.985 4.120 -0.001 0.000 0.246 348 V C 2.043 178.135 176.094 -0.002 0.000 1.049 348 V CA 2.371 64.653 62.300 -0.029 0.000 1.024 348 V CB -2.249 29.565 31.823 -0.015 0.000 0.648 348 V HN 0.625 nan 8.190 nan 0.000 0.447 349 G N 0.129 108.934 108.800 0.008 0.000 2.396 349 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.214 349 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.214 349 G C 1.568 176.484 174.900 0.027 0.000 1.166 349 G CA 1.172 46.288 45.100 0.027 0.000 0.793 349 G HN 0.504 nan 8.290 nan 0.000 0.533 350 V N 0.869 120.793 119.914 0.018 0.000 2.332 350 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 350 V C 2.599 178.696 176.094 0.004 0.000 1.055 350 V CA 2.212 64.523 62.300 0.019 0.000 1.038 350 V CB -0.548 31.281 31.823 0.010 0.000 0.651 350 V HN 0.333 nan 8.190 nan 0.000 0.450 351 K N 0.544 120.936 120.400 -0.012 0.000 2.026 351 K HA -0.119 4.201 4.320 -0.001 0.000 0.208 351 K C 2.267 178.899 176.600 0.052 0.000 1.048 351 K CA 1.540 57.819 56.287 -0.013 0.000 0.929 351 K CB -0.687 31.777 32.500 -0.059 0.000 0.713 351 K HN 0.506 nan 8.250 nan 0.000 0.439 352 G N 0.394 109.234 108.800 0.066 0.000 2.459 352 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 352 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 352 G C 1.471 176.440 174.900 0.114 0.000 1.183 352 G CA 1.228 46.419 45.100 0.151 0.000 0.776 352 G HN 0.198 nan 8.290 nan 0.000 0.552 353 V N 0.647 120.541 119.914 -0.032 0.000 2.295 353 V HA -0.184 3.935 4.120 -0.001 0.000 0.246 353 V C 3.020 178.930 176.094 -0.307 0.000 1.049 353 V CA 1.615 63.762 62.300 -0.256 0.000 1.024 353 V CB -0.828 30.866 31.823 -0.215 0.000 0.648 353 V HN 0.240 nan 8.190 nan 0.000 0.447 354 V N -0.464 119.394 119.914 -0.092 0.000 2.295 354 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 354 V C 2.237 178.314 176.094 -0.029 0.000 1.049 354 V CA 2.456 64.726 62.300 -0.049 0.000 1.024 354 V CB -0.825 30.997 31.823 -0.002 0.000 0.648 354 V HN 0.537 nan 8.190 nan 0.000 0.447 355 F N 1.534 121.444 119.950 -0.067 0.000 2.134 355 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 355 F C 2.274 178.111 175.800 0.061 0.000 1.097 355 F CA 1.146 59.153 58.000 0.013 0.000 1.264 355 F CB -0.696 38.329 39.000 0.042 0.000 1.001 355 F HN 0.064 nan 8.300 nan 0.000 0.479 356 A N 0.627 123.333 122.820 -0.189 0.000 1.865 356 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 356 A C 2.488 179.724 177.584 -0.579 0.000 1.191 356 A CA 2.189 53.920 52.037 -0.510 0.000 0.623 356 A CB -1.665 16.942 19.000 -0.655 0.000 0.826 356 A HN 0.513 nan 8.150 nan 0.000 0.444 357 A N -0.458 121.937 122.820 -0.709 0.000 1.908 357 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 357 A C 2.211 179.716 177.584 -0.133 0.000 1.181 357 A CA 1.689 53.491 52.037 -0.391 0.000 0.627 357 A CB -0.680 18.167 19.000 -0.254 0.000 0.818 357 A HN 0.479 nan 8.150 nan 0.000 0.445 358 L N -0.804 120.325 121.223 -0.157 0.000 1.994 358 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 358 L C 3.137 179.949 176.870 -0.097 0.000 1.071 358 L CA 1.296 56.094 54.840 -0.071 0.000 0.745 358 L CB -0.561 41.496 42.059 -0.004 0.000 0.892 358 L HN 0.429 nan 8.230 nan 0.000 0.431 359 A N -0.161 122.504 122.820 -0.258 0.000 1.883 359 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 359 A C 2.507 180.041 177.584 -0.084 0.000 1.186 359 A CA 1.994 53.916 52.037 -0.192 0.000 0.624 359 A CB -0.943 17.867 19.000 -0.317 0.000 0.822 359 A HN 0.421 nan 8.150 nan 0.000 0.444 360 A N -0.293 122.477 122.820 -0.084 0.000 1.902 360 A HA 0.149 4.468 4.320 -0.001 0.000 0.217 360 A C 2.517 180.114 177.584 0.021 0.000 1.181 360 A CA 2.218 54.252 52.037 -0.005 0.000 0.623 360 A CB -1.037 18.038 19.000 0.124 0.000 0.818 360 A HN 1.092 nan 8.150 nan 0.000 0.443 361 A N 0.004 122.853 122.820 0.048 0.000 1.877 361 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 361 A C 2.041 179.659 177.584 0.056 0.000 1.186 361 A CA 1.578 53.660 52.037 0.075 0.000 0.620 361 A CB -0.501 18.558 19.000 0.098 0.000 0.822 361 A HN 0.406 nan 8.150 nan 0.000 0.443 362 I N -0.004 120.592 120.570 0.044 0.000 2.163 362 I HA -0.197 3.972 4.170 -0.001 0.000 0.243 362 I C 2.537 178.667 176.117 0.022 0.000 1.085 362 I CA 1.337 62.669 61.300 0.053 0.000 1.347 362 I CB -1.287 36.751 38.000 0.064 0.000 1.044 362 I HN 0.148 nan 8.210 nan 0.000 0.408 363 V N 0.505 120.404 119.914 -0.025 0.000 2.295 363 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 363 V C 2.768 178.728 176.094 -0.224 0.000 1.049 363 V CA 2.044 64.268 62.300 -0.127 0.000 1.024 363 V CB -0.787 30.926 31.823 -0.182 0.000 0.648 363 V HN 0.490 nan 8.190 nan 0.000 0.447 364 S N -0.093 115.512 115.700 -0.158 0.000 2.368 364 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 364 S C 2.152 176.761 174.600 0.014 0.000 1.030 364 S CA 2.146 60.306 58.200 -0.067 0.000 0.999 364 S CB -0.355 62.874 63.200 0.049 0.000 0.844 364 S HN 0.598 nan 8.310 nan 0.000 0.459 365 S N 1.582 117.306 115.700 0.041 0.000 2.382 365 S HA 0.061 4.531 4.470 -0.001 0.000 0.228 365 S C 1.788 176.436 174.600 0.081 0.000 1.027 365 S CA 1.387 59.636 58.200 0.082 0.000 0.991 365 S CB -0.518 62.740 63.200 0.097 0.000 0.823 365 S HN 0.478 nan 8.310 nan 0.000 0.469 366 L N 1.222 122.473 121.223 0.046 0.000 2.027 366 L HA -0.109 4.230 4.340 -0.001 0.000 0.206 366 L C 2.842 179.739 176.870 0.045 0.000 1.074 366 L CA 1.242 56.112 54.840 0.051 0.000 0.745 366 L CB -0.760 41.316 42.059 0.029 0.000 0.898 366 L HN 0.311 nan 8.230 nan 0.000 0.433 367 A N -0.889 121.936 122.820 0.008 0.000 1.883 367 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 367 A C 2.542 180.170 177.584 0.075 0.000 1.186 367 A CA 2.306 54.372 52.037 0.048 0.000 0.624 367 A CB -0.929 18.110 19.000 0.065 0.000 0.822 367 A HN 0.359 nan 8.150 nan 0.000 0.444 368 S N -1.007 114.744 115.700 0.085 0.000 2.359 368 S HA -0.201 4.268 4.470 -0.001 0.000 0.224 368 S C 2.127 176.773 174.600 0.077 0.000 1.035 368 S CA 1.954 60.211 58.200 0.095 0.000 1.018 368 S CB -0.401 62.871 63.200 0.120 0.000 0.876 368 S HN 0.548 nan 8.310 nan 0.000 0.448 369 M N 0.294 119.963 119.600 0.115 0.000 2.117 369 M HA -0.066 4.413 4.480 -0.001 0.000 0.262 369 M C 2.103 178.404 176.300 0.002 0.000 1.065 369 M CA 1.319 56.711 55.300 0.154 0.000 1.114 369 M CB -0.472 32.297 32.600 0.282 0.000 1.361 369 M HN 0.317 nan 8.290 nan 0.000 0.408 370 L N 0.091 121.330 121.223 0.027 0.000 2.083 370 L HA -0.239 4.101 4.340 -0.001 0.000 0.209 370 L C 2.457 179.304 176.870 -0.039 0.000 1.083 370 L CA 1.035 55.874 54.840 -0.001 0.000 0.752 370 L CB -0.800 41.274 42.059 0.026 0.000 0.899 370 L HN 0.482 nan 8.230 nan 0.000 0.433 371 N N -0.337 118.344 118.700 -0.031 0.000 2.106 371 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 371 N C 1.830 177.273 175.510 -0.112 0.000 1.029 371 N CA 1.700 54.725 53.050 -0.042 0.000 0.848 371 N CB 0.133 38.615 38.487 -0.008 0.000 1.007 371 N HN 0.211 nan 8.380 nan 0.000 0.423 372 S N 0.028 115.608 115.700 -0.201 0.000 2.370 372 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 372 S C 1.947 176.311 174.600 -0.394 0.000 1.033 372 S CA 1.867 59.852 58.200 -0.358 0.000 1.011 372 S CB -0.635 62.247 63.200 -0.530 0.000 0.852 372 S HN 0.513 nan 8.310 nan 0.000 0.457 373 T N 2.490 116.795 114.554 -0.414 0.000 2.708 373 T HA -0.031 4.319 4.350 -0.001 0.000 0.266 373 T C 2.171 176.848 174.700 -0.039 0.000 1.037 373 T CA 1.238 63.200 62.100 -0.229 0.000 1.146 373 T CB -0.560 68.227 68.868 -0.135 0.000 0.865 373 T HN 0.474 nan 8.240 nan 0.000 0.435 374 A N 2.019 124.818 122.820 -0.034 0.000 1.902 374 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 374 A C 2.679 180.305 177.584 0.071 0.000 1.181 374 A CA 2.253 54.315 52.037 0.041 0.000 0.623 374 A CB -1.343 17.660 19.000 0.006 0.000 0.818 374 A HN 0.642 nan 8.150 nan 0.000 0.443 375 T N -1.265 113.286 114.554 -0.005 0.000 2.777 375 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 375 T C 1.829 176.541 174.700 0.020 0.000 1.040 375 T CA 1.485 63.579 62.100 -0.010 0.000 1.141 375 T CB -0.641 68.189 68.868 -0.064 0.000 0.868 375 T HN 0.325 nan 8.240 nan 0.000 0.444 376 I N 0.335 120.920 120.570 0.024 0.000 2.179 376 I HA -0.034 4.136 4.170 -0.001 0.000 0.242 376 I C 2.319 178.530 176.117 0.157 0.000 1.088 376 I CA 1.704 63.062 61.300 0.096 0.000 1.357 376 I CB -0.536 37.545 38.000 0.135 0.000 1.051 376 I HN 0.157 nan 8.210 nan 0.000 0.409 377 F N 1.971 121.965 119.950 0.073 0.000 2.102 377 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 377 F C 2.784 178.663 175.800 0.132 0.000 1.105 377 F CA 2.272 60.335 58.000 0.105 0.000 1.239 377 F CB -0.712 38.334 39.000 0.077 0.000 0.991 377 F HN 0.143 nan 8.300 nan 0.000 0.474 378 T N -1.386 113.183 114.554 0.026 0.000 2.777 378 T HA -0.184 4.166 4.350 -0.001 0.000 0.266 378 T C 1.897 176.583 174.700 -0.024 0.000 1.040 378 T CA 1.503 63.580 62.100 -0.039 0.000 1.141 378 T CB -0.368 68.513 68.868 0.023 0.000 0.868 378 T HN 0.169 nan 8.240 nan 0.000 0.444 379 M N 2.055 121.652 119.600 -0.005 0.000 2.115 379 M HA 0.099 4.579 4.480 -0.001 0.000 0.261 379 M C 1.732 178.026 176.300 -0.009 0.000 1.079 379 M CA 1.236 56.536 55.300 0.001 0.000 1.143 379 M CB -1.124 31.483 32.600 0.012 0.000 1.332 379 M HN 0.238 nan 8.290 nan 0.000 0.421 380 D N -0.246 120.169 120.400 0.024 0.000 2.323 380 D HA 0.068 4.708 4.640 -0.001 0.000 0.209 380 D C 1.866 178.226 176.300 0.101 0.000 0.973 380 D CA 0.708 54.749 54.000 0.068 0.000 0.874 380 D CB 0.642 41.529 40.800 0.144 0.000 0.930 380 D HN 0.272 nan 8.370 nan 0.000 0.521 381 I N -1.135 119.430 120.570 -0.007 0.000 3.518 381 I HA -0.031 4.138 4.170 -0.001 0.000 0.260 381 I C 2.034 178.085 176.117 -0.110 0.000 1.148 381 I CA -0.009 61.289 61.300 -0.003 0.000 1.440 381 I CB -1.155 36.766 38.000 -0.132 0.000 1.485 381 I HN -0.122 nan 8.210 nan 0.000 0.456 382 Y N 2.537 122.520 120.300 -0.528 0.000 2.092 382 Y HA -0.197 4.353 4.550 -0.001 0.000 0.282 382 Y C 2.893 178.693 175.900 -0.167 0.000 1.126 382 Y CA 2.343 60.215 58.100 -0.379 0.000 1.111 382 Y CB -0.024 38.173 38.460 -0.438 0.000 0.987 382 Y HN -0.028 nan 8.280 nan 0.000 0.489 383 K N -0.098 120.311 120.400 0.015 0.000 2.057 383 K HA -0.264 4.056 4.320 -0.001 0.000 0.207 383 K C 2.071 178.566 176.600 -0.174 0.000 1.049 383 K CA 1.900 58.164 56.287 -0.039 0.000 0.931 383 K CB -0.187 32.317 32.500 0.007 0.000 0.714 383 K HN 0.248 nan 8.250 nan 0.000 0.440 384 E N -0.794 119.261 120.200 -0.241 0.000 2.106 384 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 384 E C 1.028 177.187 176.600 -0.735 0.000 0.984 384 E CA 1.669 57.766 56.400 -0.504 0.000 0.806 384 E CB 0.082 29.418 29.700 -0.608 0.000 0.750 384 E HN 0.438 nan 8.360 nan 0.000 0.458 385 Y N -1.782 118.429 120.300 -0.149 0.000 2.736 385 Y HA 0.186 4.735 4.550 -0.001 0.000 0.272 385 Y C 1.863 177.641 175.900 -0.204 0.000 1.118 385 Y CA -0.219 57.795 58.100 -0.144 0.000 1.248 385 Y CB -0.009 38.388 38.460 -0.105 0.000 1.437 385 Y HN -0.057 nan 8.280 nan 0.000 0.481 386 I N -0.735 119.717 120.570 -0.197 0.000 2.163 386 I HA -0.125 4.044 4.170 -0.001 0.000 0.240 386 I C 0.821 176.678 176.117 -0.433 0.000 1.081 386 I CA 1.449 62.517 61.300 -0.386 0.000 1.353 386 I CB -0.943 36.661 38.000 -0.659 0.000 1.054 386 I HN 0.084 nan 8.210 nan 0.000 0.407 387 S N 1.715 117.082 115.700 -0.555 0.000 2.293 387 S HA 0.357 4.826 4.470 -0.001 0.000 0.154 387 S C -1.695 172.806 174.600 -0.166 0.000 1.602 387 S CA -1.169 56.855 58.200 -0.293 0.000 1.260 387 S CB 0.677 63.746 63.200 -0.218 0.000 1.270 387 S HN -0.086 nan 8.310 nan 0.000 0.416 388 P HA -0.139 nan 4.420 nan 0.000 0.219 388 P C 0.038 177.299 177.300 -0.065 0.000 1.151 388 P CA 1.424 64.458 63.100 -0.110 0.000 0.850 388 P CB 0.015 31.652 31.700 -0.106 0.000 0.784 389 D N -1.866 118.510 120.400 -0.041 0.000 2.405 389 D HA 0.235 4.874 4.640 -0.001 0.000 0.264 389 D C 0.613 176.917 176.300 0.006 0.000 1.240 389 D CA -0.195 53.794 54.000 -0.018 0.000 0.893 389 D CB 0.445 41.230 40.800 -0.025 0.000 1.198 389 D HN -0.240 nan 8.370 nan 0.000 0.514 390 S N 0.823 116.546 115.700 0.039 0.000 2.441 390 S HA 0.438 4.908 4.470 -0.001 0.000 0.224 390 S C 1.014 175.640 174.600 0.043 0.000 1.043 390 S CA 0.189 58.436 58.200 0.079 0.000 0.948 390 S CB 0.334 63.640 63.200 0.177 0.000 0.810 390 S HN 0.730 nan 8.310 nan 0.000 0.504 391 G N 1.870 110.684 108.800 0.023 0.000 2.721 391 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 391 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 391 G C -0.432 174.479 174.900 0.018 0.000 1.236 391 G CA -0.254 44.841 45.100 -0.009 0.000 0.786 391 G HN 0.116 nan 8.290 nan 0.000 0.616 392 D N 0.233 120.641 120.400 0.013 0.000 2.158 392 D HA -0.104 4.535 4.640 -0.001 0.000 0.197 392 D C 1.917 178.311 176.300 0.157 0.000 0.995 392 D CA 1.997 56.041 54.000 0.073 0.000 0.846 392 D CB -0.288 40.561 40.800 0.082 0.000 0.941 392 D HN 0.776 nan 8.370 nan 0.000 0.456 393 H N 0.139 119.204 119.070 -0.009 0.000 2.319 393 H HA -0.099 4.457 4.556 -0.001 0.000 0.299 393 H C 2.181 177.498 175.328 -0.019 0.000 1.092 393 H CA 1.223 57.262 56.048 -0.015 0.000 1.302 393 H CB 0.177 29.931 29.762 -0.014 0.000 1.373 393 H HN 0.077 nan 8.280 nan 0.000 0.497 394 K N 1.235 121.708 120.400 0.121 0.000 2.026 394 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 394 K C 2.220 178.824 176.600 0.007 0.000 1.048 394 K CA 1.056 57.377 56.287 0.057 0.000 0.929 394 K CB -0.107 32.435 32.500 0.071 0.000 0.713 394 K HN 0.162 nan 8.250 nan 0.000 0.439 395 L N 0.593 121.828 121.223 0.021 0.000 2.043 395 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 395 L C 2.359 179.208 176.870 -0.037 0.000 1.075 395 L CA 1.055 55.885 54.840 -0.016 0.000 0.752 395 L CB -0.480 41.596 42.059 0.028 0.000 0.891 395 L HN 0.079 nan 8.230 nan 0.000 0.432 396 V N -0.164 119.744 119.914 -0.011 0.000 2.295 396 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 396 V C 2.120 178.184 176.094 -0.050 0.000 1.049 396 V CA 2.067 64.351 62.300 -0.027 0.000 1.024 396 V CB -0.729 31.077 31.823 -0.028 0.000 0.648 396 V HN 0.456 nan 8.190 nan 0.000 0.447 397 N N 0.208 118.875 118.700 -0.055 0.000 2.166 397 N HA -0.131 4.608 4.740 -0.001 0.000 0.186 397 N C 1.635 177.096 175.510 -0.083 0.000 1.019 397 N CA 1.288 54.297 53.050 -0.068 0.000 0.856 397 N CB -0.523 37.931 38.487 -0.054 0.000 0.993 397 N HN 0.354 nan 8.380 nan 0.000 0.426 398 V N 0.048 119.888 119.914 -0.123 0.000 2.358 398 V HA -0.114 4.005 4.120 -0.001 0.000 0.246 398 V C 2.334 178.371 176.094 -0.094 0.000 1.047 398 V CA 1.969 64.148 62.300 -0.202 0.000 1.035 398 V CB -1.245 30.265 31.823 -0.521 0.000 0.658 398 V HN 0.377 nan 8.190 nan 0.000 0.452 399 G N -0.085 108.682 108.800 -0.055 0.000 2.418 399 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 399 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 399 G C 1.750 176.639 174.900 -0.018 0.000 1.158 399 G CA 0.536 45.634 45.100 -0.004 0.000 0.771 399 G HN 0.418 nan 8.290 nan 0.000 0.545 400 R N -0.076 120.403 120.500 -0.036 0.000 2.081 400 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 400 R C 2.797 179.075 176.300 -0.036 0.000 1.131 400 R CA 1.689 57.768 56.100 -0.035 0.000 0.960 400 R CB -0.769 29.498 30.300 -0.055 0.000 0.856 400 R HN 0.317 nan 8.270 nan 0.000 0.436 401 T N 1.026 115.551 114.554 -0.048 0.000 2.746 401 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 401 T C 2.019 176.673 174.700 -0.076 0.000 1.039 401 T CA 1.350 63.418 62.100 -0.053 0.000 1.142 401 T CB -0.220 68.616 68.868 -0.054 0.000 0.866 401 T HN 0.357 nan 8.240 nan 0.000 0.444 402 A N 1.641 124.410 122.820 -0.085 0.000 1.877 402 A HA 0.168 4.488 4.320 -0.001 0.000 0.216 402 A C 2.690 180.212 177.584 -0.104 0.000 1.186 402 A CA 1.828 53.776 52.037 -0.148 0.000 0.620 402 A CB -1.210 17.750 19.000 -0.065 0.000 0.822 402 A HN 0.508 nan 8.150 nan 0.000 0.443 403 A N -0.497 122.293 122.820 -0.051 0.000 1.883 403 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 403 A C 2.251 179.817 177.584 -0.030 0.000 1.186 403 A CA 1.934 53.952 52.037 -0.031 0.000 0.624 403 A CB -1.090 17.906 19.000 -0.007 0.000 0.822 403 A HN 0.418 nan 8.150 nan 0.000 0.444 404 V N -0.406 119.492 119.914 -0.027 0.000 2.287 404 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 404 V C 2.590 178.661 176.094 -0.039 0.000 1.053 404 V CA 2.105 64.393 62.300 -0.020 0.000 1.027 404 V CB -0.889 30.928 31.823 -0.010 0.000 0.646 404 V HN 0.379 nan 8.190 nan 0.000 0.447 405 V N 0.193 120.068 119.914 -0.066 0.000 2.255 405 V HA -0.297 3.822 4.120 -0.001 0.000 0.247 405 V C 2.723 178.765 176.094 -0.087 0.000 1.051 405 V CA 2.236 64.487 62.300 -0.082 0.000 1.018 405 V CB -1.190 30.559 31.823 -0.124 0.000 0.641 405 V HN 0.576 nan 8.190 nan 0.000 0.445 406 A N -0.499 122.260 122.820 -0.101 0.000 1.908 406 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 406 A C 2.164 179.705 177.584 -0.072 0.000 1.181 406 A CA 2.206 54.182 52.037 -0.102 0.000 0.627 406 A CB -0.604 18.346 19.000 -0.084 0.000 0.818 406 A HN 0.445 nan 8.150 nan 0.000 0.445 407 L N 0.366 121.564 121.223 -0.042 0.000 2.017 407 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 407 L C 2.355 179.209 176.870 -0.027 0.000 1.073 407 L CA 2.320 57.147 54.840 -0.022 0.000 0.745 407 L CB -0.688 41.368 42.059 -0.006 0.000 0.894 407 L HN 0.587 nan 8.230 nan 0.000 0.432 408 I N -2.244 118.308 120.570 -0.031 0.000 2.286 408 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 408 I C 2.228 178.330 176.117 -0.024 0.000 1.115 408 I CA 1.775 63.059 61.300 -0.027 0.000 1.392 408 I CB -0.707 37.278 38.000 -0.025 0.000 1.065 408 I HN 0.215 nan 8.210 nan 0.000 0.418 409 I N 1.513 122.061 120.570 -0.038 0.000 2.163 409 I HA -0.199 3.970 4.170 -0.001 0.000 0.240 409 I C 2.882 178.985 176.117 -0.024 0.000 1.081 409 I CA 1.422 62.704 61.300 -0.031 0.000 1.353 409 I CB -0.762 37.195 38.000 -0.072 0.000 1.054 409 I HN 0.348 nan 8.210 nan 0.000 0.407 410 A N 0.808 123.594 122.820 -0.055 0.000 1.933 410 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 410 A C 2.515 180.107 177.584 0.014 0.000 1.175 410 A CA 1.910 53.934 52.037 -0.021 0.000 0.628 410 A CB -0.849 18.140 19.000 -0.018 0.000 0.814 410 A HN 0.449 nan 8.150 nan 0.000 0.444 411 A N -0.492 122.329 122.820 0.001 0.000 1.969 411 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 411 A C 2.093 179.677 177.584 0.001 0.000 1.169 411 A CA 1.400 53.436 52.037 -0.001 0.000 0.635 411 A CB -0.488 18.499 19.000 -0.021 0.000 0.810 411 A HN 0.474 nan 8.150 nan 0.000 0.445 412 L N -1.067 120.159 121.223 0.004 0.000 2.240 412 L HA -0.041 4.298 4.340 -0.001 0.000 0.211 412 L C 2.219 179.103 176.870 0.022 0.000 1.106 412 L CA 0.649 55.494 54.840 0.009 0.000 0.793 412 L CB -0.291 41.775 42.059 0.012 0.000 0.927 412 L HN 0.353 nan 8.230 nan 0.000 0.446 413 I N -0.449 120.146 120.570 0.041 0.000 2.385 413 I HA -0.110 4.059 4.170 -0.001 0.000 0.244 413 I C 2.750 178.877 176.117 0.016 0.000 1.089 413 I CA 0.889 62.218 61.300 0.049 0.000 1.410 413 I CB -0.518 37.557 38.000 0.124 0.000 1.117 413 I HN 0.087 nan 8.210 nan 0.000 0.429 414 A N 1.391 124.230 122.820 0.032 0.000 2.038 414 A HA -0.227 4.093 4.320 -0.001 0.000 0.224 414 A C -0.118 177.497 177.584 0.050 0.000 1.190 414 A CA 2.369 54.432 52.037 0.043 0.000 0.668 414 A CB -2.153 16.899 19.000 0.087 0.000 0.820 414 A HN 0.300 nan 8.150 nan 0.000 0.474 415 P HA -0.145 nan 4.420 nan 0.000 0.219 415 P C 1.758 179.057 177.300 -0.002 0.000 1.150 415 P CA 1.544 64.680 63.100 0.059 0.000 0.814 415 P CB -0.307 31.415 31.700 0.037 0.000 0.787 416 M N -2.741 116.824 119.600 -0.058 0.000 2.446 416 M HA -0.041 4.439 4.480 -0.001 0.000 0.263 416 M C 1.289 177.451 176.300 -0.231 0.000 1.066 416 M CA 1.739 56.972 55.300 -0.111 0.000 1.087 416 M CB -1.103 31.435 32.600 -0.103 0.000 1.406 416 M HN -0.136 nan 8.290 nan 0.000 0.459 417 L N 1.252 122.257 121.223 -0.364 0.000 2.645 417 L HA 0.126 4.465 4.340 -0.001 0.000 0.235 417 L C 2.266 178.579 176.870 -0.928 0.000 1.150 417 L CA 0.039 54.447 54.840 -0.719 0.000 0.911 417 L CB -0.749 40.754 42.059 -0.926 0.000 1.077 417 L HN 0.524 nan 8.230 nan 0.000 0.438 418 G N 0.111 108.697 108.800 -0.355 0.000 2.440 418 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 418 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 418 G C 1.259 176.186 174.900 0.044 0.000 1.154 418 G CA 0.772 45.888 45.100 0.027 0.000 0.767 418 G HN 0.502 nan 8.290 nan 0.000 0.552 419 G N 0.318 109.084 108.800 -0.055 0.000 3.690 419 G HA2 0.324 4.283 3.960 -0.001 0.000 0.283 419 G HA3 0.324 4.283 3.960 -0.001 0.000 0.283 419 G C 1.236 176.112 174.900 -0.040 0.000 1.057 419 G CA 0.253 45.348 45.100 -0.008 0.000 0.821 419 G HN 0.546 nan 8.290 nan 0.000 0.526 420 I N -2.383 118.113 120.570 -0.124 0.000 3.241 420 I HA 0.292 4.461 4.170 -0.001 0.000 0.280 420 I C 1.637 177.752 176.117 -0.003 0.000 1.320 420 I CA 0.659 61.890 61.300 -0.115 0.000 1.413 420 I CB -0.136 37.706 38.000 -0.263 0.000 1.060 420 I HN 0.257 nan 8.210 nan 0.000 0.500 421 G N 0.913 109.743 108.800 0.049 0.000 3.487 421 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.295 421 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.295 421 G C 0.049 175.033 174.900 0.141 0.000 1.454 421 G CA 0.326 45.487 45.100 0.102 0.000 1.039 421 G HN 0.563 nan 8.290 nan 0.000 0.624 422 Q N -0.068 119.816 119.800 0.140 0.000 2.314 422 Q HA 0.522 4.861 4.340 -0.001 0.000 0.259 422 Q C 0.874 176.983 176.000 0.182 0.000 0.951 422 Q CA -0.177 55.729 55.803 0.172 0.000 0.909 422 Q CB 1.656 30.494 28.738 0.167 0.000 1.236 422 Q HN 0.583 nan 8.270 nan 0.000 0.444 423 C N 3.344 122.776 119.300 0.220 0.000 2.446 423 C HA -0.062 4.398 4.460 -0.001 0.000 0.279 423 C C 2.053 177.181 174.990 0.230 0.000 1.366 423 C CA 0.220 59.376 59.018 0.229 0.000 1.763 423 C CB -0.686 27.228 27.740 0.289 0.000 1.929 423 C HN 1.039 nan 8.230 nan 0.000 0.509 424 F N 1.435 121.421 119.950 0.060 0.000 2.134 424 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 424 F C 2.393 178.166 175.800 -0.044 0.000 1.097 424 F CA 1.786 59.764 58.000 -0.037 0.000 1.264 424 F CB -0.298 38.626 39.000 -0.126 0.000 1.001 424 F HN 0.177 nan 8.300 nan 0.000 0.479 425 Q N -0.697 119.177 119.800 0.124 0.000 2.119 425 Q HA -0.239 4.101 4.340 -0.001 0.000 0.201 425 Q C 2.049 177.962 176.000 -0.145 0.000 0.972 425 Q CA 1.761 57.596 55.803 0.054 0.000 0.847 425 Q CB -1.265 27.582 28.738 0.182 0.000 0.903 425 Q HN 0.664 nan 8.270 nan 0.000 0.433 426 Y N 0.872 121.104 120.300 -0.112 0.000 2.181 426 Y HA -0.159 4.390 4.550 -0.001 0.000 0.288 426 Y C 2.006 177.861 175.900 -0.074 0.000 1.146 426 Y CA 1.132 59.204 58.100 -0.046 0.000 1.164 426 Y CB -0.315 38.139 38.460 -0.010 0.000 0.982 426 Y HN 0.007 nan 8.280 nan 0.000 0.515 427 I N 0.056 120.494 120.570 -0.221 0.000 2.226 427 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 427 I C 2.320 178.190 176.117 -0.412 0.000 1.100 427 I CA 1.117 62.220 61.300 -0.328 0.000 1.374 427 I CB -0.426 37.416 38.000 -0.263 0.000 1.057 427 I HN 0.248 nan 8.210 nan 0.000 0.413 428 Q N 0.402 119.912 119.800 -0.483 0.000 1.993 428 Q HA -0.251 4.089 4.340 -0.001 0.000 0.202 428 Q C 2.099 177.823 176.000 -0.460 0.000 0.984 428 Q CA 1.738 57.330 55.803 -0.352 0.000 0.837 428 Q CB -0.567 28.113 28.738 -0.095 0.000 0.902 428 Q HN 0.524 nan 8.270 nan 0.000 0.423 429 E N -0.591 118.970 120.200 -1.066 0.000 2.058 429 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 429 E C 1.434 177.393 176.600 -1.068 0.000 0.997 429 E CA 1.254 56.775 56.400 -1.466 0.000 0.801 429 E CB -0.071 28.497 29.700 -1.887 0.000 0.746 429 E HN 0.413 nan 8.360 nan 0.000 0.450 430 Y N -0.533 119.459 120.300 -0.513 0.000 2.523 430 Y HA 0.078 4.628 4.550 -0.001 0.000 0.279 430 Y C 2.326 178.062 175.900 -0.274 0.000 1.139 430 Y CA 0.957 58.825 58.100 -0.386 0.000 1.296 430 Y CB 0.090 38.277 38.460 -0.454 0.000 1.045 430 Y HN 0.036 nan 8.280 nan 0.000 0.538 431 T N -0.907 113.524 114.554 -0.205 0.000 2.857 431 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 431 T C 2.307 176.908 174.700 -0.165 0.000 1.048 431 T CA 1.307 63.326 62.100 -0.134 0.000 1.139 431 T CB -0.701 68.111 68.868 -0.092 0.000 0.874 431 T HN 0.547 nan 8.240 nan 0.000 0.455 432 G N 1.104 109.803 108.800 -0.168 0.000 2.535 432 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.218 432 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.218 432 G C 1.394 176.226 174.900 -0.114 0.000 1.122 432 G CA 0.221 45.253 45.100 -0.114 0.000 0.769 432 G HN 0.433 nan 8.290 nan 0.000 0.549 433 L N -0.382 120.758 121.223 -0.139 0.000 2.275 433 L HA 0.019 4.359 4.340 -0.001 0.000 0.215 433 L C 2.102 178.887 176.870 -0.142 0.000 1.119 433 L CA 0.515 55.296 54.840 -0.099 0.000 0.790 433 L CB 0.246 42.273 42.059 -0.052 0.000 0.919 433 L HN 0.184 nan 8.230 nan 0.000 0.443 434 V N -3.724 116.080 119.914 -0.182 0.000 3.497 434 V HA 0.032 4.152 4.120 -0.001 0.000 0.272 434 V C 2.001 177.931 176.094 -0.273 0.000 1.474 434 V CA 0.527 62.683 62.300 -0.239 0.000 1.025 434 V CB 1.111 32.759 31.823 -0.292 0.000 0.820 434 V HN 0.164 nan 8.190 nan 0.000 0.437 435 S N 1.810 117.287 115.700 -0.371 0.000 2.370 435 S HA -0.109 4.361 4.470 -0.001 0.000 0.226 435 S C -0.401 174.045 174.600 -0.256 0.000 1.033 435 S CA 2.112 59.928 58.200 -0.640 0.000 1.011 435 S CB -1.106 61.825 63.200 -0.449 0.000 0.852 435 S HN 0.525 nan 8.310 nan 0.000 0.457 436 P HA 0.066 nan 4.420 nan 0.000 0.220 436 P C 1.692 178.999 177.300 0.012 0.000 1.152 436 P CA 1.055 64.165 63.100 0.017 0.000 0.812 436 P CB -0.435 31.305 31.700 0.068 0.000 0.792 437 G N 0.397 109.184 108.800 -0.021 0.000 2.414 437 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.215 437 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.215 437 G C 1.525 176.368 174.900 -0.096 0.000 1.188 437 G CA 0.579 45.667 45.100 -0.021 0.000 0.783 437 G HN 0.210 nan 8.290 nan 0.000 0.537 438 I N 0.244 120.721 120.570 -0.155 0.000 2.264 438 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 438 I C 2.564 178.411 176.117 -0.450 0.000 1.111 438 I CA 0.566 61.644 61.300 -0.370 0.000 1.382 438 I CB -0.216 37.652 38.000 -0.219 0.000 1.060 438 I HN 0.146 nan 8.210 nan 0.000 0.418 439 L N 1.086 122.279 121.223 -0.051 0.000 2.141 439 L HA -0.088 4.251 4.340 -0.001 0.000 0.209 439 L C 2.513 179.457 176.870 0.124 0.000 1.094 439 L CA 1.855 56.795 54.840 0.166 0.000 0.763 439 L CB -0.623 41.650 42.059 0.357 0.000 0.908 439 L HN 0.170 nan 8.230 nan 0.000 0.437 440 A N -0.802 122.047 122.820 0.048 0.000 1.873 440 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 440 A C 2.375 180.004 177.584 0.076 0.000 1.186 440 A CA 1.902 53.977 52.037 0.063 0.000 0.616 440 A CB -1.335 17.668 19.000 0.005 0.000 0.823 440 A HN 0.450 nan 8.150 nan 0.000 0.442 441 V N -2.229 117.663 119.914 -0.037 0.000 2.392 441 V HA -0.201 3.918 4.120 -0.001 0.000 0.249 441 V C 2.143 178.423 176.094 0.310 0.000 1.059 441 V CA 2.300 64.583 62.300 -0.029 0.000 1.051 441 V CB -1.004 30.641 31.823 -0.296 0.000 0.658 441 V HN 0.358 nan 8.190 nan 0.000 0.455 442 F N 0.440 120.439 119.950 0.082 0.000 2.128 442 F HA 0.127 4.653 4.527 -0.001 0.000 0.295 442 F C 2.293 178.252 175.800 0.266 0.000 1.100 442 F CA 1.284 59.275 58.000 -0.016 0.000 1.260 442 F CB -1.171 37.114 39.000 -1.191 0.000 1.009 442 F HN 0.160 nan 8.300 nan 0.000 0.476 443 L N -0.661 120.860 121.223 0.496 0.000 2.083 443 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 443 L C 2.360 179.553 176.870 0.539 0.000 1.083 443 L CA 0.949 56.163 54.840 0.623 0.000 0.752 443 L CB -0.564 41.792 42.059 0.495 0.000 0.899 443 L HN 0.115 nan 8.230 nan 0.000 0.433 444 L N -1.203 120.286 121.223 0.444 0.000 2.179 444 L HA -0.017 4.322 4.340 -0.001 0.000 0.208 444 L C 2.595 179.776 176.870 0.519 0.000 1.096 444 L CA 0.949 56.072 54.840 0.472 0.000 0.779 444 L CB -0.993 41.319 42.059 0.421 0.000 0.922 444 L HN 0.292 nan 8.230 nan 0.000 0.443 445 G N 0.130 109.286 108.800 0.594 0.000 2.408 445 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.217 445 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.217 445 G C 1.637 176.713 174.900 0.293 0.000 1.150 445 G CA 0.279 45.646 45.100 0.444 0.000 0.776 445 G HN 0.168 nan 8.290 nan 0.000 0.542 446 L N -1.250 120.159 121.223 0.309 0.000 2.109 446 L HA 0.141 4.480 4.340 -0.001 0.000 0.207 446 L C 2.354 178.870 176.870 -0.590 0.000 1.086 446 L CA 0.989 55.675 54.840 -0.258 0.000 0.760 446 L CB -0.115 41.548 42.059 -0.660 0.000 0.910 446 L HN 0.251 nan 8.230 nan 0.000 0.437 447 F N -3.458 116.595 119.950 0.173 0.000 2.592 447 F HA 0.041 4.568 4.527 -0.001 0.000 0.280 447 F C 1.054 177.013 175.800 0.265 0.000 1.083 447 F CA -0.573 57.513 58.000 0.144 0.000 1.365 447 F CB -0.082 38.943 39.000 0.042 0.000 1.100 447 F HN -0.023 nan 8.300 nan 0.000 0.633 448 W N 4.233 125.653 121.300 0.200 0.000 2.422 448 W HA 0.175 4.836 4.660 0.000 0.000 0.349 448 W C 0.597 177.172 176.519 0.093 0.000 1.062 448 W CA -0.619 56.806 57.345 0.134 0.000 1.497 448 W CB 0.609 30.148 29.460 0.131 0.000 1.407 448 W HN 0.038 nan 8.180 nan 0.000 0.393 449 K N 3.052 123.477 120.400 0.043 0.000 2.152 449 K HA -0.221 4.099 4.320 -0.001 0.000 0.206 449 K C 1.734 178.148 176.600 -0.310 0.000 1.048 449 K CA 1.424 57.641 56.287 -0.117 0.000 0.933 449 K CB 0.154 32.606 32.500 -0.080 0.000 0.721 449 K HN 0.422 nan 8.250 nan 0.000 0.447 450 K N 0.473 120.445 120.400 -0.712 0.000 2.211 450 K HA -0.027 4.292 4.320 -0.001 0.000 0.203 450 K C 0.373 176.651 176.600 -0.535 0.000 1.050 450 K CA 0.663 56.468 56.287 -0.804 0.000 0.945 450 K CB -0.092 31.611 32.500 -1.329 0.000 0.732 450 K HN 0.067 nan 8.250 nan 0.000 0.451 451 T N 2.237 116.522 114.554 -0.449 0.000 2.866 451 T HA -0.032 4.317 4.350 -0.001 0.000 0.293 451 T C 0.401 175.175 174.700 0.123 0.000 1.005 451 T CA 0.312 62.435 62.100 0.038 0.000 1.162 451 T CB 0.487 69.575 68.868 0.366 0.000 0.968 451 T HN 0.343 nan 8.240 nan 0.000 0.530 452 T N 0.121 114.773 114.554 0.163 0.000 2.949 452 T HA 0.437 4.786 4.350 -0.001 0.000 0.287 452 T C 1.487 176.348 174.700 0.268 0.000 1.034 452 T CA -0.918 61.285 62.100 0.171 0.000 1.018 452 T CB 1.607 70.514 68.868 0.066 0.000 1.135 452 T HN 0.249 nan 8.240 nan 0.000 0.532 453 S N -0.065 115.787 115.700 0.254 0.000 2.368 453 S HA -0.048 4.422 4.470 -0.001 0.000 0.224 453 S C 1.912 176.518 174.600 0.011 0.000 1.029 453 S CA 0.928 59.226 58.200 0.163 0.000 0.988 453 S CB -0.449 62.845 63.200 0.158 0.000 0.838 453 S HN 0.784 nan 8.310 nan 0.000 0.462 454 K N 0.970 121.386 120.400 0.028 0.000 2.044 454 K HA -0.143 4.177 4.320 -0.001 0.000 0.210 454 K C 2.236 178.828 176.600 -0.014 0.000 1.049 454 K CA 1.452 57.741 56.287 0.003 0.000 0.927 454 K CB -0.617 31.891 32.500 0.014 0.000 0.713 454 K HN 0.392 nan 8.250 nan 0.000 0.443 455 G N 0.406 109.207 108.800 0.002 0.000 2.453 455 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.215 455 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.215 455 G C 1.576 176.435 174.900 -0.068 0.000 1.201 455 G CA 1.150 46.248 45.100 -0.004 0.000 0.784 455 G HN 0.455 nan 8.290 nan 0.000 0.545 456 A N 0.732 123.466 122.820 -0.144 0.000 1.903 456 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 456 A C 2.456 179.892 177.584 -0.246 0.000 1.191 456 A CA 1.801 53.645 52.037 -0.321 0.000 0.638 456 A CB -0.491 18.012 19.000 -0.829 0.000 0.823 456 A HN 0.406 nan 8.150 nan 0.000 0.451 457 I N -0.729 119.727 120.570 -0.189 0.000 2.202 457 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 457 I C 2.337 178.407 176.117 -0.078 0.000 1.091 457 I CA 1.384 62.604 61.300 -0.133 0.000 1.368 457 I CB -0.299 37.642 38.000 -0.099 0.000 1.058 457 I HN 0.300 nan 8.210 nan 0.000 0.410 458 I N 0.572 121.107 120.570 -0.059 0.000 2.208 458 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 458 I C 2.570 178.665 176.117 -0.036 0.000 1.097 458 I CA 1.843 63.123 61.300 -0.033 0.000 1.363 458 I CB -0.766 37.221 38.000 -0.022 0.000 1.051 458 I HN 0.288 nan 8.210 nan 0.000 0.413 459 G N -0.361 108.396 108.800 -0.072 0.000 2.394 459 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.214 459 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.214 459 G C 1.762 176.645 174.900 -0.028 0.000 1.176 459 G CA 0.703 45.746 45.100 -0.095 0.000 0.786 459 G HN 0.253 nan 8.290 nan 0.000 0.533 460 V N 0.448 120.342 119.914 -0.035 0.000 2.392 460 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 460 V C 3.036 179.219 176.094 0.147 0.000 1.059 460 V CA 1.853 64.175 62.300 0.037 0.000 1.051 460 V CB -0.162 31.644 31.823 -0.029 0.000 0.658 460 V HN 0.208 nan 8.190 nan 0.000 0.455 461 V N 0.186 120.165 119.914 0.108 0.000 2.270 461 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 461 V C 2.737 178.912 176.094 0.135 0.000 1.043 461 V CA 2.047 64.432 62.300 0.142 0.000 1.014 461 V CB -1.239 30.632 31.823 0.080 0.000 0.645 461 V HN 0.611 nan 8.190 nan 0.000 0.447 462 A N -0.596 122.305 122.820 0.134 0.000 2.024 462 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 462 A C 2.533 180.333 177.584 0.359 0.000 1.164 462 A CA 2.140 54.317 52.037 0.234 0.000 0.643 462 A CB -0.763 18.378 19.000 0.235 0.000 0.806 462 A HN 0.503 nan 8.150 nan 0.000 0.451 463 S N -0.703 115.169 115.700 0.285 0.000 2.383 463 S HA -0.156 4.314 4.470 -0.001 0.000 0.229 463 S C 1.770 176.478 174.600 0.180 0.000 1.030 463 S CA 1.627 59.993 58.200 0.277 0.000 1.002 463 S CB -0.456 62.836 63.200 0.153 0.000 0.829 463 S HN 0.401 nan 8.310 nan 0.000 0.467 464 I N 2.262 122.878 120.570 0.076 0.000 2.163 464 I HA 0.009 4.178 4.170 -0.001 0.000 0.240 464 I C -0.987 175.152 176.117 0.037 0.000 1.081 464 I CA 0.912 62.206 61.300 -0.011 0.000 1.353 464 I CB -1.229 36.688 38.000 -0.140 0.000 1.054 464 I HN 0.256 nan 8.210 nan 0.000 0.407 465 P HA -0.182 nan 4.420 nan 0.000 0.218 465 P C 1.814 179.152 177.300 0.063 0.000 1.149 465 P CA 1.368 64.497 63.100 0.049 0.000 0.817 465 P CB -0.107 31.620 31.700 0.046 0.000 0.785 466 F N 1.051 120.932 119.950 -0.115 0.000 2.060 466 F HA -0.085 4.442 4.527 -0.000 0.000 0.295 466 F C 2.304 178.067 175.800 -0.061 0.000 1.120 466 F CA 1.608 59.452 58.000 -0.261 0.000 1.205 466 F CB -0.942 37.596 39.000 -0.770 0.000 0.986 466 F HN -0.128 nan 8.300 nan 0.000 0.470 467 A N 0.840 123.718 122.820 0.096 0.000 1.917 467 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 467 A C 2.293 179.880 177.584 0.005 0.000 1.182 467 A CA 2.150 54.209 52.037 0.036 0.000 0.633 467 A CB -1.365 17.680 19.000 0.076 0.000 0.819 467 A HN 0.539 nan 8.150 nan 0.000 0.448 468 L N -2.272 118.989 121.223 0.064 0.000 2.046 468 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 468 L C 2.458 179.444 176.870 0.193 0.000 1.077 468 L CA 1.616 56.557 54.840 0.167 0.000 0.747 468 L CB -0.552 41.547 42.059 0.067 0.000 0.896 468 L HN 0.517 nan 8.230 nan 0.000 0.432 469 F N 0.811 120.703 119.950 -0.095 0.000 2.091 469 F HA -0.284 4.242 4.527 -0.001 0.000 0.299 469 F C 2.202 177.895 175.800 -0.178 0.000 1.103 469 F CA 1.697 59.608 58.000 -0.150 0.000 1.228 469 F CB -0.287 38.549 39.000 -0.274 0.000 0.984 469 F HN -0.114 nan 8.300 nan 0.000 0.477 470 L N 0.013 121.059 121.223 -0.294 0.000 2.079 470 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 470 L C 2.486 179.201 176.870 -0.259 0.000 1.081 470 L CA 1.553 56.184 54.840 -0.350 0.000 0.752 470 L CB -0.796 41.082 42.059 -0.302 0.000 0.896 470 L HN 0.164 nan 8.230 nan 0.000 0.433 471 K N -0.048 120.248 120.400 -0.173 0.000 2.005 471 K HA -0.065 4.254 4.320 -0.001 0.000 0.206 471 K C 1.993 178.335 176.600 -0.430 0.000 1.044 471 K CA 1.262 57.367 56.287 -0.302 0.000 0.942 471 K CB -0.321 31.944 32.500 -0.393 0.000 0.727 471 K HN 0.135 nan 8.250 nan 0.000 0.439 472 F N 0.839 120.703 119.950 -0.143 0.000 2.546 472 F HA -0.016 4.510 4.527 -0.001 0.000 0.298 472 F C 1.202 176.886 175.800 -0.193 0.000 1.120 472 F CA -0.024 57.897 58.000 -0.131 0.000 1.456 472 F CB -0.208 38.742 39.000 -0.084 0.000 1.088 472 F HN 0.017 nan 8.300 nan 0.000 0.572 473 M N 2.225 121.687 119.600 -0.230 0.000 2.235 473 M HA 0.205 4.685 4.480 -0.001 0.000 0.351 473 M C -2.150 174.000 176.300 -0.251 0.000 1.178 473 M CA -3.058 52.029 55.300 -0.354 0.000 1.143 473 M CB 0.236 32.371 32.600 -0.774 0.000 1.530 473 M HN -0.305 nan 8.290 nan 0.000 0.461 474 P HA 0.103 nan 4.420 nan 0.000 0.230 474 P C -0.317 176.901 177.300 -0.136 0.000 1.791 474 P CA 0.427 63.447 63.100 -0.133 0.000 1.020 474 P CB -0.517 31.129 31.700 -0.090 0.000 1.977 475 L N -0.307 120.819 121.223 -0.161 0.000 2.609 475 L HA 0.158 4.497 4.340 -0.001 0.000 0.230 475 L C 1.176 177.990 176.870 -0.094 0.000 1.087 475 L CA -0.004 54.751 54.840 -0.140 0.000 0.874 475 L CB -0.375 41.570 42.059 -0.189 0.000 1.114 475 L HN 0.084 nan 8.230 nan 0.000 0.488 476 S N 1.087 116.735 115.700 -0.086 0.000 3.550 476 S HA -0.233 4.236 4.470 -0.001 0.000 0.372 476 S C 0.103 174.686 174.600 -0.028 0.000 0.966 476 S CA 0.401 58.571 58.200 -0.051 0.000 1.229 476 S CB -0.845 62.333 63.200 -0.036 0.000 0.917 476 S HN 0.417 nan 8.310 nan 0.000 0.496 477 M N 2.167 121.742 119.600 -0.042 0.000 2.205 477 M HA 0.490 4.969 4.480 -0.001 0.000 0.344 477 M C -2.448 173.844 176.300 -0.014 0.000 1.085 477 M CA -2.130 53.161 55.300 -0.016 0.000 1.001 477 M CB 1.354 33.934 32.600 -0.032 0.000 1.626 477 M HN -0.008 nan 8.290 nan 0.000 0.442 478 P HA -0.018 nan 4.420 nan 0.000 0.265 478 P C 0.025 177.252 177.300 -0.121 0.000 1.193 478 P CA 0.015 63.047 63.100 -0.112 0.000 0.765 478 P CB 0.100 31.669 31.700 -0.217 0.000 0.823 479 F N 2.427 122.319 119.950 -0.098 0.000 2.120 479 F HA -0.218 4.308 4.527 -0.001 0.000 0.300 479 F C 2.163 177.912 175.800 -0.085 0.000 1.095 479 F CA 1.273 59.199 58.000 -0.122 0.000 1.249 479 F CB -1.249 37.632 39.000 -0.198 0.000 0.995 479 F HN 0.144 nan 8.300 nan 0.000 0.480 480 M N 1.015 120.274 119.600 -0.568 0.000 2.082 480 M HA -0.252 4.227 4.480 -0.001 0.000 0.258 480 M C 1.713 177.920 176.300 -0.154 0.000 1.069 480 M CA 2.346 57.439 55.300 -0.345 0.000 1.102 480 M CB -0.482 31.825 32.600 -0.488 0.000 1.336 480 M HN 0.152 nan 8.290 nan 0.000 0.404 481 D N -0.256 120.060 120.400 -0.140 0.000 2.104 481 D HA -0.198 4.441 4.640 -0.001 0.000 0.194 481 D C 2.023 178.393 176.300 0.116 0.000 0.994 481 D CA 1.544 55.529 54.000 -0.025 0.000 0.830 481 D CB -0.243 40.582 40.800 0.041 0.000 0.959 481 D HN 0.532 nan 8.370 nan 0.000 0.452 482 Q N -0.577 119.301 119.800 0.131 0.000 2.096 482 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 482 Q C 2.342 178.454 176.000 0.187 0.000 0.982 482 Q CA 1.151 57.061 55.803 0.179 0.000 0.850 482 Q CB -0.118 28.665 28.738 0.075 0.000 0.901 482 Q HN 0.379 nan 8.270 nan 0.000 0.422 483 M N -0.073 119.593 119.600 0.110 0.000 2.080 483 M HA -0.202 4.278 4.480 -0.001 0.000 0.260 483 M C 2.268 178.625 176.300 0.096 0.000 1.068 483 M CA 1.186 56.546 55.300 0.099 0.000 1.109 483 M CB -0.461 32.184 32.600 0.076 0.000 1.342 483 M HN 0.260 nan 8.290 nan 0.000 0.405 484 L N -0.291 120.944 121.223 0.020 0.000 2.046 484 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 484 L C 2.127 178.970 176.870 -0.045 0.000 1.077 484 L CA 1.950 56.754 54.840 -0.060 0.000 0.747 484 L CB -0.848 41.091 42.059 -0.200 0.000 0.896 484 L HN 0.195 nan 8.230 nan 0.000 0.432 485 Y N -0.653 119.739 120.300 0.153 0.000 2.200 485 Y HA -0.233 4.316 4.550 -0.001 0.000 0.290 485 Y C 2.497 178.621 175.900 0.372 0.000 1.137 485 Y CA 1.733 59.985 58.100 0.254 0.000 1.163 485 Y CB -0.720 37.909 38.460 0.282 0.000 0.988 485 Y HN 0.186 nan 8.280 nan 0.000 0.518 486 T N 0.686 115.548 114.554 0.515 0.000 2.708 486 T HA -0.217 4.132 4.350 -0.001 0.000 0.266 486 T C 1.891 176.738 174.700 0.245 0.000 1.037 486 T CA 1.388 63.764 62.100 0.461 0.000 1.146 486 T CB -0.680 68.406 68.868 0.363 0.000 0.865 486 T HN 0.209 nan 8.240 nan 0.000 0.435 487 L N 1.340 122.661 121.223 0.164 0.000 1.956 487 L HA -0.081 4.258 4.340 -0.001 0.000 0.216 487 L C 2.258 179.158 176.870 0.051 0.000 1.073 487 L CA 1.763 56.659 54.840 0.094 0.000 0.762 487 L CB -0.862 41.249 42.059 0.086 0.000 0.889 487 L HN 0.229 nan 8.230 nan 0.000 0.433 488 L N -1.255 120.000 121.223 0.052 0.000 2.051 488 L HA -0.285 4.055 4.340 -0.001 0.000 0.214 488 L C 2.573 179.423 176.870 -0.033 0.000 1.076 488 L CA 2.061 56.906 54.840 0.009 0.000 0.758 488 L CB -0.900 41.188 42.059 0.048 0.000 0.890 488 L HN 0.429 nan 8.230 nan 0.000 0.433 489 F N 0.983 120.810 119.950 -0.204 0.000 2.102 489 F HA -0.249 4.277 4.527 -0.000 0.000 0.298 489 F C 2.505 178.113 175.800 -0.320 0.000 1.105 489 F CA 2.205 59.946 58.000 -0.431 0.000 1.239 489 F CB -0.356 37.947 39.000 -1.161 0.000 0.991 489 F HN -0.032 nan 8.300 nan 0.000 0.474 490 T N 1.940 116.354 114.554 -0.234 0.000 2.652 490 T HA -0.242 4.107 4.350 -0.001 0.000 0.267 490 T C 2.056 176.591 174.700 -0.274 0.000 1.039 490 T CA 1.940 63.885 62.100 -0.258 0.000 1.153 490 T CB -0.417 68.421 68.868 -0.050 0.000 0.863 490 T HN 0.260 nan 8.240 nan 0.000 0.428 491 M N 0.909 120.394 119.600 -0.192 0.000 2.089 491 M HA -0.125 4.355 4.480 -0.001 0.000 0.257 491 M C 2.540 178.654 176.300 -0.309 0.000 1.071 491 M CA 1.448 56.631 55.300 -0.195 0.000 1.096 491 M CB -1.344 31.155 32.600 -0.169 0.000 1.330 491 M HN 0.132 nan 8.290 nan 0.000 0.403 492 V N 0.094 119.772 119.914 -0.393 0.000 2.295 492 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 492 V C 2.559 178.317 176.094 -0.560 0.000 1.049 492 V CA 1.581 63.547 62.300 -0.557 0.000 1.024 492 V CB -0.626 30.929 31.823 -0.447 0.000 0.648 492 V HN 0.254 nan 8.190 nan 0.000 0.447 493 V N -0.178 119.422 119.914 -0.523 0.000 2.261 493 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 493 V C 2.173 178.145 176.094 -0.203 0.000 1.047 493 V CA 2.314 64.376 62.300 -0.397 0.000 1.015 493 V CB -0.479 30.977 31.823 -0.611 0.000 0.642 493 V HN 0.434 nan 8.190 nan 0.000 0.446 494 I N 0.344 120.804 120.570 -0.183 0.000 2.286 494 I HA -0.246 3.924 4.170 -0.001 0.000 0.248 494 I C 2.630 178.777 176.117 0.050 0.000 1.115 494 I CA 1.415 62.684 61.300 -0.052 0.000 1.392 494 I CB -0.574 37.411 38.000 -0.025 0.000 1.065 494 I HN 0.299 nan 8.210 nan 0.000 0.418 495 A N 1.036 123.846 122.820 -0.017 0.000 1.858 495 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 495 A C 2.067 179.750 177.584 0.165 0.000 1.190 495 A CA 1.522 53.625 52.037 0.110 0.000 0.617 495 A CB -0.897 17.973 19.000 -0.217 0.000 0.827 495 A HN 0.285 nan 8.150 nan 0.000 0.443 496 F N 1.087 121.067 119.950 0.050 0.000 2.102 496 F HA -0.124 4.402 4.527 -0.001 0.000 0.298 496 F C 2.810 178.629 175.800 0.031 0.000 1.105 496 F CA 1.505 59.524 58.000 0.033 0.000 1.239 496 F CB -1.511 37.480 39.000 -0.015 0.000 0.991 496 F HN 0.177 nan 8.300 nan 0.000 0.474 497 T N -0.146 114.522 114.554 0.191 0.000 2.652 497 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 497 T C 2.297 177.054 174.700 0.096 0.000 1.039 497 T CA 1.998 64.160 62.100 0.104 0.000 1.153 497 T CB -0.784 68.112 68.868 0.047 0.000 0.863 497 T HN 0.394 nan 8.240 nan 0.000 0.428 498 S N 2.114 117.880 115.700 0.111 0.000 2.368 498 S HA -0.007 4.462 4.470 -0.001 0.000 0.225 498 S C 2.135 176.777 174.600 0.070 0.000 1.030 498 S CA 0.793 59.042 58.200 0.081 0.000 0.999 498 S CB -0.952 62.295 63.200 0.079 0.000 0.844 498 S HN 0.389 nan 8.310 nan 0.000 0.459 499 L N 2.159 123.467 121.223 0.141 0.000 2.042 499 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 499 L C 2.856 179.777 176.870 0.084 0.000 1.076 499 L CA 1.618 56.537 54.840 0.132 0.000 0.749 499 L CB -0.700 41.506 42.059 0.246 0.000 0.893 499 L HN 0.583 nan 8.230 nan 0.000 0.432 500 S N -2.843 112.909 115.700 0.087 0.000 2.593 500 S HA -0.025 4.444 4.470 -0.001 0.000 0.217 500 S C 1.501 176.118 174.600 0.029 0.000 0.966 500 S CA 0.559 58.787 58.200 0.046 0.000 0.914 500 S CB -0.182 63.039 63.200 0.035 0.000 0.776 500 S HN 0.569 nan 8.310 nan 0.000 0.523 501 T N -2.506 112.065 114.554 0.029 0.000 2.987 501 T HA 0.270 4.620 4.350 -0.001 0.000 0.248 501 T C 0.766 175.470 174.700 0.006 0.000 0.997 501 T CA 0.153 62.263 62.100 0.017 0.000 1.013 501 T CB -0.423 68.456 68.868 0.020 0.000 1.077 501 T HN 0.185 nan 8.240 nan 0.000 0.483 502 S N 1.578 117.277 115.700 -0.002 0.000 2.465 502 S HA 0.276 4.745 4.470 -0.001 0.000 0.307 502 S C 1.380 175.967 174.600 -0.023 0.000 1.187 502 S CA -0.492 57.695 58.200 -0.021 0.000 1.141 502 S CB -0.968 62.201 63.200 -0.052 0.000 1.108 502 S HN 0.410 nan 8.310 nan 0.000 0.525 503 I N 3.741 124.301 120.570 -0.017 0.000 2.151 503 I HA -0.262 3.908 4.170 -0.001 0.000 0.243 503 I C 1.094 177.198 176.117 -0.022 0.000 1.080 503 I CA 0.892 62.183 61.300 -0.015 0.000 1.339 503 I CB -0.607 37.386 38.000 -0.012 0.000 1.039 503 I HN 0.630 nan 8.210 nan 0.000 0.409 504 N N 0.316 118.998 118.700 -0.030 0.000 2.476 504 N HA 0.042 4.782 4.740 -0.001 0.000 0.275 504 N C 0.484 175.961 175.510 -0.055 0.000 1.190 504 N CA -0.510 52.518 53.050 -0.037 0.000 0.977 504 N CB 0.566 39.030 38.487 -0.038 0.000 1.200 504 N HN -0.049 nan 8.380 nan 0.000 0.515 505 D N -0.626 119.740 120.400 -0.057 0.000 2.077 505 D HA -0.112 4.528 4.640 -0.001 0.000 0.193 505 D C -0.624 175.601 176.300 -0.124 0.000 0.989 505 D CA 1.332 55.285 54.000 -0.078 0.000 0.831 505 D CB -0.246 40.521 40.800 -0.055 0.000 0.979 505 D HN 0.604 nan 8.370 nan 0.000 0.449 506 D N 0.380 120.717 120.400 -0.105 0.000 2.168 506 D HA 0.187 4.826 4.640 -0.001 0.000 0.246 506 D C -0.753 175.482 176.300 -0.110 0.000 1.050 506 D CA -0.450 53.474 54.000 -0.125 0.000 0.857 506 D CB 1.356 42.103 40.800 -0.088 0.000 1.169 506 D HN 0.098 nan 8.370 nan 0.000 0.453 507 D N 1.688 122.011 120.400 -0.128 0.000 2.424 507 D HA 0.037 4.676 4.640 -0.001 0.000 0.244 507 D C -1.163 175.087 176.300 -0.084 0.000 1.134 507 D CA -1.231 52.710 54.000 -0.097 0.000 0.881 507 D CB 1.124 41.863 40.800 -0.100 0.000 1.191 507 D HN 0.016 nan 8.370 nan 0.000 0.445 508 P HA -0.223 nan 4.420 nan 0.000 0.217 508 P C 0.506 177.765 177.300 -0.068 0.000 1.151 508 P CA 1.490 64.556 63.100 -0.056 0.000 0.849 508 P CB 0.147 31.821 31.700 -0.043 0.000 0.787 509 K N -0.379 119.967 120.400 -0.090 0.000 2.525 509 K HA 0.116 4.436 4.320 -0.001 0.000 0.192 509 K C 1.268 177.778 176.600 -0.150 0.000 1.029 509 K CA 0.006 56.221 56.287 -0.121 0.000 1.029 509 K CB -0.345 32.062 32.500 -0.156 0.000 0.814 509 K HN 0.117 nan 8.250 nan 0.000 0.503 510 G N 1.690 110.412 108.800 -0.130 0.000 2.299 510 G HA2 0.073 4.032 3.960 -0.001 0.000 0.256 510 G HA3 0.073 4.032 3.960 -0.001 0.000 0.256 510 G C -0.120 174.733 174.900 -0.078 0.000 1.259 510 G CA -0.343 44.687 45.100 -0.117 0.000 0.943 510 G HN 0.152 nan 8.290 nan 0.000 0.479 511 I N 2.382 122.912 120.570 -0.066 0.000 2.587 511 I HA -0.006 4.163 4.170 -0.001 0.000 0.284 511 I C 1.480 177.583 176.117 -0.023 0.000 1.134 511 I CA 0.340 61.614 61.300 -0.043 0.000 1.410 511 I CB 1.158 39.130 38.000 -0.047 0.000 1.392 511 I HN 0.586 nan 8.210 nan 0.000 0.545 512 S N 4.576 120.263 115.700 -0.021 0.000 2.559 512 S HA 0.127 4.597 4.470 -0.001 0.000 0.226 512 S C 0.431 175.029 174.600 -0.004 0.000 1.000 512 S CA -0.483 57.715 58.200 -0.004 0.000 0.948 512 S CB -0.255 62.939 63.200 -0.011 0.000 0.870 512 S HN 0.452 nan 8.310 nan 0.000 0.497 513 V N 0.977 120.873 119.914 -0.031 0.000 2.655 513 V HA 0.673 4.793 4.120 -0.001 0.000 0.300 513 V C -0.241 175.809 176.094 -0.072 0.000 1.044 513 V CA 0.136 62.396 62.300 -0.066 0.000 1.095 513 V CB 0.283 32.041 31.823 -0.107 0.000 0.952 513 V HN 0.346 nan 8.190 nan 0.000 0.485 514 T N 2.551 117.046 114.554 -0.098 0.000 2.786 514 T HA 0.554 4.903 4.350 -0.001 0.000 0.316 514 T C 0.263 174.900 174.700 -0.106 0.000 1.503 514 T CA 0.321 62.371 62.100 -0.083 0.000 1.019 514 T CB 1.518 70.471 68.868 0.142 0.000 1.415 514 T HN 1.652 nan 8.240 nan 0.000 0.496 515 S N 0.746 116.415 115.700 -0.051 0.000 1.402 515 S HA -0.229 4.240 4.470 -0.001 0.000 0.247 515 S C 1.465 176.034 174.600 -0.053 0.000 0.661 515 S CA 2.302 60.525 58.200 0.039 0.000 1.198 515 S CB -1.778 61.451 63.200 0.048 0.000 1.282 515 S HN 1.048 nan 8.310 nan 0.000 0.501 516 S N 0.668 116.293 115.700 -0.126 0.000 2.605 516 S HA 0.349 4.819 4.470 -0.001 0.000 0.217 516 S C 1.489 175.966 174.600 -0.205 0.000 0.958 516 S CA 0.515 58.646 58.200 -0.115 0.000 0.919 516 S CB -0.280 62.871 63.200 -0.082 0.000 0.780 516 S HN 0.528 nan 8.310 nan 0.000 0.507 517 M N 0.180 119.539 119.600 -0.402 0.000 2.334 517 M HA 0.238 4.718 4.480 -0.001 0.000 0.266 517 M C 0.637 176.601 176.300 -0.560 0.000 1.082 517 M CA 1.092 56.044 55.300 -0.581 0.000 1.141 517 M CB -1.141 30.895 32.600 -0.940 0.000 1.380 517 M HN 0.449 nan 8.290 nan 0.000 0.440 518 F N 0.499 120.411 119.950 -0.062 0.000 2.727 518 F HA 0.124 4.650 4.527 -0.001 0.000 0.302 518 F C 1.145 176.815 175.800 -0.217 0.000 1.097 518 F CA -0.765 57.135 58.000 -0.166 0.000 1.330 518 F CB -0.427 38.492 39.000 -0.136 0.000 1.084 518 F HN -0.176 nan 8.300 nan 0.000 0.578 519 V N 0.379 120.263 119.914 -0.051 0.000 2.673 519 V HA 0.368 4.487 4.120 -0.001 0.000 0.303 519 V C 0.148 176.153 176.094 -0.150 0.000 1.046 519 V CA -0.383 61.874 62.300 -0.072 0.000 1.126 519 V CB 0.322 32.115 31.823 -0.049 0.000 0.934 519 V HN 0.261 nan 8.190 nan 0.000 0.487 520 T N 1.260 115.716 114.554 -0.163 0.000 2.876 520 T HA 0.591 4.941 4.350 -0.001 0.000 0.289 520 T C -0.636 174.009 174.700 -0.093 0.000 1.014 520 T CA -0.480 61.467 62.100 -0.257 0.000 0.986 520 T CB 1.448 70.000 68.868 -0.527 0.000 1.021 520 T HN 1.018 nan 8.240 nan 0.000 0.458 521 D N 1.050 121.412 120.400 -0.064 0.000 2.368 521 D HA 0.176 4.815 4.640 -0.001 0.000 0.240 521 D C 1.247 177.566 176.300 0.031 0.000 1.169 521 D CA -0.794 53.201 54.000 -0.010 0.000 0.906 521 D CB 0.856 41.646 40.800 -0.017 0.000 1.187 521 D HN 0.526 nan 8.370 nan 0.000 0.435 522 R N 0.532 121.040 120.500 0.013 0.000 2.127 522 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 522 R C 2.056 178.346 176.300 -0.016 0.000 1.134 522 R CA 1.253 57.359 56.100 0.011 0.000 0.975 522 R CB -0.408 29.899 30.300 0.012 0.000 0.865 522 R HN 0.550 nan 8.270 nan 0.000 0.447 523 S N 0.421 116.106 115.700 -0.025 0.000 2.356 523 S HA -0.177 4.292 4.470 -0.001 0.000 0.223 523 S C 1.638 176.200 174.600 -0.064 0.000 1.032 523 S CA 1.162 59.321 58.200 -0.069 0.000 1.005 523 S CB -0.221 62.918 63.200 -0.103 0.000 0.867 523 S HN 0.391 nan 8.310 nan 0.000 0.449 524 F N 2.392 122.253 119.950 -0.148 0.000 2.113 524 F HA -0.054 4.473 4.527 -0.001 0.000 0.297 524 F C 1.856 177.531 175.800 -0.209 0.000 1.103 524 F CA 2.041 59.955 58.000 -0.144 0.000 1.248 524 F CB -0.645 38.290 39.000 -0.108 0.000 0.999 524 F HN 0.329 nan 8.300 nan 0.000 0.475 525 N N 0.537 119.211 118.700 -0.043 0.000 2.120 525 N HA -0.180 4.559 4.740 -0.001 0.000 0.188 525 N C 1.883 176.945 175.510 -0.746 0.000 1.024 525 N CA 1.627 54.439 53.050 -0.397 0.000 0.852 525 N CB -0.238 38.117 38.487 -0.220 0.000 1.003 525 N HN 0.289 nan 8.380 nan 0.000 0.424 526 I N 1.100 121.477 120.570 -0.322 0.000 2.315 526 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 526 I C 2.421 178.434 176.117 -0.173 0.000 1.117 526 I CA 0.621 61.837 61.300 -0.141 0.000 1.404 526 I CB -0.187 37.797 38.000 -0.027 0.000 1.071 526 I HN 0.162 nan 8.210 nan 0.000 0.419 527 A N 0.514 123.185 122.820 -0.248 0.000 1.930 527 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 527 A C 2.533 179.953 177.584 -0.273 0.000 1.175 527 A CA 1.629 53.523 52.037 -0.238 0.000 0.627 527 A CB -0.818 18.022 19.000 -0.267 0.000 0.815 527 A HN 0.399 nan 8.150 nan 0.000 0.443 528 A N -0.864 121.676 122.820 -0.467 0.000 1.877 528 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 528 A C 2.109 179.606 177.584 -0.145 0.000 1.186 528 A CA 1.519 53.310 52.037 -0.411 0.000 0.620 528 A CB -0.972 17.699 19.000 -0.549 0.000 0.822 528 A HN 0.675 nan 8.150 nan 0.000 0.443 529 Y N -0.208 120.056 120.300 -0.060 0.000 2.224 529 Y HA -0.144 4.405 4.550 -0.001 0.000 0.289 529 Y C 2.832 178.720 175.900 -0.019 0.000 1.146 529 Y CA 0.198 58.285 58.100 -0.022 0.000 1.182 529 Y CB -0.626 37.827 38.460 -0.012 0.000 0.983 529 Y HN 0.397 nan 8.280 nan 0.000 0.524 530 G N 0.722 109.581 108.800 0.098 0.000 2.459 530 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 530 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 530 G C 1.555 176.487 174.900 0.054 0.000 1.183 530 G CA 1.342 46.474 45.100 0.052 0.000 0.776 530 G HN 0.379 nan 8.290 nan 0.000 0.552 531 I N 0.385 120.978 120.570 0.038 0.000 2.286 531 I HA -0.170 3.999 4.170 -0.001 0.000 0.248 531 I C 2.948 179.093 176.117 0.047 0.000 1.115 531 I CA 1.002 62.331 61.300 0.048 0.000 1.392 531 I CB -0.115 37.900 38.000 0.025 0.000 1.065 531 I HN 0.182 nan 8.210 nan 0.000 0.418 532 M N -0.210 119.432 119.600 0.070 0.000 2.132 532 M HA -0.181 4.299 4.480 -0.001 0.000 0.263 532 M C 2.360 178.707 176.300 0.078 0.000 1.065 532 M CA 1.921 57.275 55.300 0.090 0.000 1.122 532 M CB -0.320 32.355 32.600 0.126 0.000 1.365 532 M HN 0.165 nan 8.290 nan 0.000 0.411 533 I N -0.567 120.047 120.570 0.073 0.000 2.286 533 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 533 I C 2.257 178.399 176.117 0.042 0.000 1.115 533 I CA 0.894 62.227 61.300 0.056 0.000 1.392 533 I CB -0.279 37.752 38.000 0.051 0.000 1.065 533 I HN 0.055 nan 8.210 nan 0.000 0.418 534 V N 0.679 120.612 119.914 0.031 0.000 2.307 534 V HA -0.262 3.857 4.120 -0.001 0.000 0.245 534 V C 2.368 178.433 176.094 -0.049 0.000 1.045 534 V CA 1.636 63.933 62.300 -0.005 0.000 1.024 534 V CB -0.409 31.421 31.823 0.012 0.000 0.651 534 V HN 0.348 nan 8.190 nan 0.000 0.449 535 L N -0.076 121.132 121.223 -0.025 0.000 2.079 535 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 535 L C 2.663 179.634 176.870 0.168 0.000 1.081 535 L CA 1.594 56.453 54.840 0.031 0.000 0.752 535 L CB -0.650 41.477 42.059 0.114 0.000 0.896 535 L HN 0.389 nan 8.230 nan 0.000 0.433 536 A N -0.627 122.267 122.820 0.123 0.000 1.858 536 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 536 A C 2.295 179.964 177.584 0.141 0.000 1.190 536 A CA 1.951 54.069 52.037 0.135 0.000 0.617 536 A CB -0.881 18.171 19.000 0.087 0.000 0.827 536 A HN 0.192 nan 8.150 nan 0.000 0.443 537 V N 0.103 120.066 119.914 0.083 0.000 2.295 537 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 537 V C 2.596 178.734 176.094 0.073 0.000 1.049 537 V CA 2.011 64.354 62.300 0.072 0.000 1.024 537 V CB -0.812 31.031 31.823 0.034 0.000 0.648 537 V HN 0.571 nan 8.190 nan 0.000 0.447 538 L N -1.457 119.748 121.223 -0.031 0.000 2.043 538 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 538 L C 2.391 179.277 176.870 0.025 0.000 1.075 538 L CA 1.917 56.661 54.840 -0.159 0.000 0.752 538 L CB -0.590 41.023 42.059 -0.744 0.000 0.891 538 L HN 0.336 nan 8.230 nan 0.000 0.432 539 Y N -1.032 119.364 120.300 0.160 0.000 2.583 539 Y HA -0.092 4.457 4.550 -0.001 0.000 0.293 539 Y C 2.312 178.328 175.900 0.193 0.000 1.157 539 Y CA 1.006 59.233 58.100 0.212 0.000 1.315 539 Y CB -0.073 38.477 38.460 0.151 0.000 1.021 539 Y HN 0.118 nan 8.280 nan 0.000 0.536 540 T N -1.386 113.348 114.554 0.301 0.000 2.978 540 T HA -0.006 4.343 4.350 -0.001 0.000 0.248 540 T C 1.745 176.634 174.700 0.314 0.000 1.018 540 T CA -0.005 62.268 62.100 0.289 0.000 1.026 540 T CB -0.255 68.746 68.868 0.221 0.000 1.032 540 T HN 0.072 nan 8.240 nan 0.000 0.485 541 L N 1.367 122.745 121.223 0.258 0.000 2.010 541 L HA -0.117 4.223 4.340 -0.001 0.000 0.219 541 L C 1.917 178.976 176.870 0.314 0.000 1.077 541 L CA 1.956 56.940 54.840 0.240 0.000 0.773 541 L CB -0.675 41.500 42.059 0.194 0.000 0.892 541 L HN 0.328 nan 8.230 nan 0.000 0.436 542 F N -1.394 118.675 119.950 0.199 0.000 2.075 542 F HA -0.315 4.211 4.527 -0.001 0.000 0.297 542 F C 2.356 178.279 175.800 0.205 0.000 1.113 542 F CA 1.664 59.777 58.000 0.188 0.000 1.218 542 F CB -0.447 38.686 39.000 0.222 0.000 0.984 542 F HN 0.373 nan 8.300 nan 0.000 0.472 543 W N 0.912 122.273 121.300 0.102 0.000 2.298 543 W HA -0.291 4.368 4.660 -0.001 0.000 0.328 543 W C 2.046 178.548 176.519 -0.028 0.000 1.259 543 W CA 2.309 59.651 57.345 -0.005 0.000 1.251 543 W CB -0.949 28.553 29.460 0.070 0.000 1.161 543 W HN -0.106 nan 8.180 nan 0.000 0.466 544 V N 1.410 121.390 119.914 0.109 0.000 2.255 544 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 544 V C 0.369 176.426 176.094 -0.063 0.000 1.051 544 V CA 1.902 64.205 62.300 0.005 0.000 1.018 544 V CB -0.716 31.192 31.823 0.142 0.000 0.641 544 V HN 0.163 nan 8.190 nan 0.000 0.445 545 N N -1.435 117.266 118.700 0.002 0.000 2.581 545 N HA 0.418 5.157 4.740 -0.001 0.000 0.279 545 N C 0.374 175.910 175.510 0.043 0.000 1.124 545 N CA 0.463 53.509 53.050 -0.006 0.000 0.833 545 N CB 1.875 40.376 38.487 0.023 0.000 1.338 545 N HN 0.197 nan 8.380 nan 0.000 0.533 546 A N 1.261 124.056 122.820 -0.041 0.000 2.067 546 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 546 A C 1.181 178.850 177.584 0.142 0.000 1.158 546 A CA 1.327 53.386 52.037 0.037 0.000 0.661 546 A CB -0.017 18.857 19.000 -0.210 0.000 0.801 546 A HN 0.461 nan 8.150 nan 0.000 0.452 547 D N -0.542 119.893 120.400 0.059 0.000 2.323 547 D HA 0.219 4.859 4.640 -0.001 0.000 0.209 547 D C 1.856 178.191 176.300 0.058 0.000 0.973 547 D CA 0.856 54.884 54.000 0.046 0.000 0.874 547 D CB 0.049 40.863 40.800 0.024 0.000 0.930 547 D HN 0.424 nan 8.370 nan 0.000 0.521 548 A N 0.384 123.250 122.820 0.077 0.000 2.123 548 A HA -0.069 4.251 4.320 -0.001 0.000 0.214 548 A C 1.913 179.548 177.584 0.085 0.000 1.152 548 A CA 0.565 52.648 52.037 0.076 0.000 0.728 548 A CB -0.113 18.932 19.000 0.074 0.000 0.814 548 A HN 0.025 nan 8.150 nan 0.000 0.464 549 E N -0.118 120.145 120.200 0.104 0.000 2.204 549 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 549 E C 1.617 178.201 176.600 -0.026 0.000 0.989 549 E CA 0.923 57.355 56.400 0.054 0.000 0.824 549 E CB -0.167 29.547 29.700 0.023 0.000 0.756 549 E HN 0.695 nan 8.360 nan 0.000 0.477 550 I N 0.566 121.116 120.570 -0.033 0.000 2.179 550 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 550 I C 2.420 178.575 176.117 0.063 0.000 1.088 550 I CA 1.267 62.535 61.300 -0.054 0.000 1.357 550 I CB -0.468 37.449 38.000 -0.138 0.000 1.051 550 I HN -0.010 nan 8.210 nan 0.000 0.409 551 T N 0.785 115.399 114.554 0.100 0.000 2.746 551 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 551 T C 1.902 176.667 174.700 0.108 0.000 1.039 551 T CA 1.357 63.537 62.100 0.134 0.000 1.142 551 T CB -0.416 68.505 68.868 0.088 0.000 0.866 551 T HN 0.172 nan 8.240 nan 0.000 0.444 552 L N 0.848 122.109 121.223 0.063 0.000 2.046 552 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 552 L C 2.076 178.874 176.870 -0.120 0.000 1.077 552 L CA 1.431 56.282 54.840 0.018 0.000 0.747 552 L CB -0.520 41.606 42.059 0.111 0.000 0.896 552 L HN 0.159 nan 8.230 nan 0.000 0.432 553 I N -0.535 120.052 120.570 0.029 0.000 2.202 553 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 553 I C 2.524 178.669 176.117 0.046 0.000 1.091 553 I CA 1.554 62.916 61.300 0.104 0.000 1.368 553 I CB -0.996 37.088 38.000 0.139 0.000 1.058 553 I HN 0.251 nan 8.210 nan 0.000 0.410 554 I N 0.098 120.738 120.570 0.117 0.000 2.133 554 I HA -0.331 3.839 4.170 -0.001 0.000 0.238 554 I C 2.588 178.762 176.117 0.094 0.000 1.074 554 I CA 1.457 62.867 61.300 0.182 0.000 1.342 554 I CB -0.530 37.685 38.000 0.359 0.000 1.053 554 I HN 0.040 nan 8.210 nan 0.000 0.404 555 F N 1.702 121.623 119.950 -0.049 0.000 2.161 555 F HA -0.132 4.394 4.527 -0.001 0.000 0.300 555 F C 2.225 177.909 175.800 -0.193 0.000 1.089 555 F CA 1.588 59.537 58.000 -0.084 0.000 1.282 555 F CB -0.777 38.183 39.000 -0.067 0.000 1.010 555 F HN -0.003 nan 8.300 nan 0.000 0.485 556 G N -0.100 108.441 108.800 -0.433 0.000 2.484 556 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.215 556 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.215 556 G C 1.813 176.486 174.900 -0.378 0.000 1.219 556 G CA 1.058 45.671 45.100 -0.812 0.000 0.791 556 G HN 0.351 nan 8.290 nan 0.000 0.550 557 V N 0.943 120.760 119.914 -0.161 0.000 2.324 557 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 557 V C 2.948 179.014 176.094 -0.047 0.000 1.060 557 V CA 2.338 64.674 62.300 0.061 0.000 1.042 557 V CB -0.279 31.668 31.823 0.206 0.000 0.650 557 V HN 0.308 nan 8.190 nan 0.000 0.450 558 M N -0.349 119.165 119.600 -0.144 0.000 2.086 558 M HA -0.097 4.382 4.480 -0.001 0.000 0.261 558 M C 2.439 178.570 176.300 -0.282 0.000 1.067 558 M CA 2.252 57.423 55.300 -0.216 0.000 1.116 558 M CB -1.759 30.738 32.600 -0.172 0.000 1.348 558 M HN 0.462 nan 8.290 nan 0.000 0.407 559 A N 0.245 122.818 122.820 -0.411 0.000 1.978 559 A HA -0.037 4.283 4.320 -0.001 0.000 0.220 559 A C 2.420 179.890 177.584 -0.190 0.000 1.170 559 A CA 1.983 53.798 52.037 -0.370 0.000 0.636 559 A CB -1.371 17.289 19.000 -0.567 0.000 0.810 559 A HN 0.550 nan 8.150 nan 0.000 0.448 560 G N -0.873 107.834 108.800 -0.155 0.000 2.403 560 G HA2 0.011 3.970 3.960 -0.001 0.000 0.216 560 G HA3 0.011 3.970 3.960 -0.001 0.000 0.216 560 G C 1.450 176.293 174.900 -0.095 0.000 1.154 560 G CA 1.136 46.190 45.100 -0.077 0.000 0.784 560 G HN 0.315 nan 8.290 nan 0.000 0.538 561 V N 1.199 121.006 119.914 -0.179 0.000 2.255 561 V HA -0.074 4.045 4.120 -0.001 0.000 0.243 561 V C 2.748 178.710 176.094 -0.220 0.000 1.038 561 V CA 1.415 63.544 62.300 -0.285 0.000 1.008 561 V CB -0.523 30.942 31.823 -0.596 0.000 0.645 561 V HN 0.338 nan 8.190 nan 0.000 0.449 562 I N 1.271 121.720 120.570 -0.201 0.000 2.163 562 I HA -0.203 3.967 4.170 -0.001 0.000 0.243 562 I C 2.642 178.725 176.117 -0.056 0.000 1.085 562 I CA 1.926 63.148 61.300 -0.129 0.000 1.347 562 I CB -1.050 36.882 38.000 -0.114 0.000 1.044 562 I HN 0.404 nan 8.210 nan 0.000 0.408 563 G N 0.029 108.812 108.800 -0.029 0.000 2.442 563 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 563 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 563 G C 1.665 176.599 174.900 0.057 0.000 1.141 563 G CA 1.577 46.709 45.100 0.052 0.000 0.763 563 G HN 0.337 nan 8.290 nan 0.000 0.554 564 T N 0.771 115.331 114.554 0.010 0.000 2.732 564 T HA -0.015 4.335 4.350 -0.001 0.000 0.261 564 T C 2.312 177.041 174.700 0.048 0.000 1.040 564 T CA 0.861 62.982 62.100 0.035 0.000 1.145 564 T CB -0.145 68.727 68.868 0.007 0.000 0.866 564 T HN 0.200 nan 8.240 nan 0.000 0.427 565 I N 0.851 121.425 120.570 0.007 0.000 2.208 565 I HA -0.153 4.016 4.170 -0.001 0.000 0.245 565 I C 2.057 178.138 176.117 -0.060 0.000 1.097 565 I CA 1.347 62.663 61.300 0.026 0.000 1.363 565 I CB -0.103 37.899 38.000 0.002 0.000 1.051 565 I HN 0.202 nan 8.210 nan 0.000 0.413 566 L N -0.649 120.526 121.223 -0.079 0.000 2.056 566 L HA -0.213 4.126 4.340 -0.001 0.000 0.207 566 L C 2.383 179.159 176.870 -0.158 0.000 1.078 566 L CA 0.840 55.579 54.840 -0.169 0.000 0.749 566 L CB -0.586 41.454 42.059 -0.031 0.000 0.901 566 L HN 0.278 nan 8.230 nan 0.000 0.433 567 L N -0.500 120.742 121.223 0.033 0.000 2.141 567 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 567 L C 2.310 179.233 176.870 0.087 0.000 1.094 567 L CA 1.413 56.329 54.840 0.127 0.000 0.763 567 L CB -0.517 41.679 42.059 0.228 0.000 0.908 567 L HN 0.142 nan 8.230 nan 0.000 0.437 568 I N -1.603 118.976 120.570 0.015 0.000 2.353 568 I HA -0.153 4.016 4.170 -0.001 0.000 0.248 568 I C 2.448 178.491 176.117 -0.124 0.000 1.119 568 I CA 0.881 62.164 61.300 -0.029 0.000 1.417 568 I CB -1.368 36.617 38.000 -0.026 0.000 1.078 568 I HN 0.148 nan 8.210 nan 0.000 0.421 569 S N 0.479 116.043 115.700 -0.226 0.000 2.359 569 S HA -0.190 4.280 4.470 -0.001 0.000 0.224 569 S C 1.974 176.364 174.600 -0.351 0.000 1.035 569 S CA 1.394 59.387 58.200 -0.346 0.000 1.018 569 S CB -0.439 62.462 63.200 -0.498 0.000 0.876 569 S HN 0.382 nan 8.310 nan 0.000 0.448 570 Y N 1.418 121.606 120.300 -0.187 0.000 2.457 570 Y HA 0.148 4.697 4.550 -0.001 0.000 0.292 570 Y C 2.544 178.413 175.900 -0.052 0.000 1.125 570 Y CA 0.183 58.121 58.100 -0.270 0.000 1.254 570 Y CB -1.022 37.020 38.460 -0.698 0.000 1.012 570 Y HN 0.312 nan 8.280 nan 0.000 0.555 571 G N -0.289 108.606 108.800 0.158 0.000 2.448 571 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 571 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 571 G C 1.627 176.514 174.900 -0.022 0.000 1.135 571 G CA 0.609 45.817 45.100 0.180 0.000 0.784 571 G HN 0.404 nan 8.290 nan 0.000 0.543 572 I N 0.382 120.896 120.570 -0.093 0.000 2.439 572 I HA 0.017 4.187 4.170 -0.001 0.000 0.251 572 I C 1.933 177.997 176.117 -0.088 0.000 1.139 572 I CA 0.344 61.547 61.300 -0.161 0.000 1.438 572 I CB -0.002 37.892 38.000 -0.177 0.000 1.085 572 I HN 0.056 nan 8.210 nan 0.000 0.427 573 K N 0.000 120.387 120.400 -0.022 0.000 2.780 573 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 573 K CA 0.000 56.298 56.287 0.019 0.000 0.838 573 K CB 0.000 32.538 32.500 0.063 0.000 1.064 573 K HN 0.000 nan 8.250 nan 0.000 0.543