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 3en1_1_A DATA FIRST_RESID 15 DATA SEQUENCE WNTSEIEALF DEHAGRIDPR IYTDEDLYQL ELERVFARSW LLLGHETQIR DATA SEQUENCE KPGDYITTYM GEDPVVVVRQ KDASIAVFLN QCRHRGMRIC RADAGNAKAF DATA SEQUENCE TCSYHGWAYD TAGNLVNVPY EAESFACLNK KEWSPLKARV ETYKGLIFAN DATA SEQUENCE WDENAVDLDT YLGEAKFYMD HMLDRTEAGT EAIPGVQKWV IPCNWKFAAE DATA SEQUENCE QFCSDMYHAG TTSHLSGILA GLPEXXEMAD LAPPTVGKQY RASWGGHGSG DATA SEQUENCE FYVGDPNLML AIMGPKVTSY WTEGPASEKA AERLGSVERG SKLMVEHMTV DATA SEQUENCE FPTCSFLPGI NTVRTWHPRG PNEVEVWAFT VVDADAPDDI KEEFRRQTLR DATA SEQUENCE TFSAGGVFEQ DDGENWVEIQ HILRGHKARS RPFNAEMSMD QTVDNDPVYP DATA SEQUENCE GRISNNVYSE EAARGLYAHW LRMMTS 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.521 176.519 0.004 0.000 1.175 15 W CA 0.000 57.354 57.345 0.014 0.000 1.226 15 W CB 0.000 29.473 29.460 0.021 0.000 1.126 16 N N -0.214 118.598 118.700 0.186 0.000 2.467 16 N HA 0.385 5.125 4.740 -0.000 0.000 0.262 16 N C 0.950 176.544 175.510 0.140 0.000 1.234 16 N CA 0.399 53.523 53.050 0.125 0.000 0.952 16 N CB 1.164 39.690 38.487 0.065 0.000 1.158 16 N HN 0.163 nan 8.380 nan 0.000 0.463 17 T N 0.523 115.127 114.554 0.082 0.000 2.653 17 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 17 T C 1.731 176.475 174.700 0.073 0.000 1.035 17 T CA 1.870 64.004 62.100 0.058 0.000 1.154 17 T CB -0.661 68.222 68.868 0.025 0.000 0.862 17 T HN 0.589 nan 8.240 nan 0.000 0.441 18 S N 1.239 116.980 115.700 0.070 0.000 2.369 18 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 18 S C 2.135 176.799 174.600 0.108 0.000 1.043 18 S CA 1.803 60.044 58.200 0.069 0.000 1.074 18 S CB -0.431 62.800 63.200 0.052 0.000 0.962 18 S HN 0.659 nan 8.310 nan 0.000 0.433 19 E N 0.362 120.659 120.200 0.162 0.000 2.110 19 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 19 E C 1.995 178.784 176.600 0.314 0.000 0.988 19 E CA 1.072 57.632 56.400 0.267 0.000 0.804 19 E CB -0.287 29.625 29.700 0.353 0.000 0.745 19 E HN 0.486 nan 8.360 nan 0.000 0.458 20 I N 1.620 122.333 120.570 0.238 0.000 2.286 20 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 20 I C 2.205 178.376 176.117 0.089 0.000 1.115 20 I CA 1.211 62.558 61.300 0.079 0.000 1.392 20 I CB -0.243 37.740 38.000 -0.029 0.000 1.065 20 I HN 0.079 nan 8.210 nan 0.000 0.418 21 E N 0.978 121.231 120.200 0.089 0.000 2.118 21 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 21 E C 2.345 179.001 176.600 0.094 0.000 0.992 21 E CA 1.379 57.831 56.400 0.086 0.000 0.804 21 E CB -0.284 29.450 29.700 0.057 0.000 0.741 21 E HN 0.565 nan 8.360 nan 0.000 0.458 22 A N 1.542 124.421 122.820 0.098 0.000 2.015 22 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 22 A C 2.238 179.869 177.584 0.078 0.000 1.163 22 A CA 0.721 52.804 52.037 0.078 0.000 0.646 22 A CB -0.580 18.474 19.000 0.090 0.000 0.806 22 A HN 0.129 nan 8.150 nan 0.000 0.448 23 L N -2.433 118.858 121.223 0.112 0.000 2.079 23 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 23 L C 0.897 177.830 176.870 0.104 0.000 1.081 23 L CA 0.789 55.678 54.840 0.083 0.000 0.752 23 L CB -0.321 41.781 42.059 0.072 0.000 0.896 23 L HN 0.494 nan 8.230 nan 0.000 0.433 24 F N 0.160 120.101 119.950 -0.016 0.000 2.529 24 F HA 0.399 4.926 4.527 -0.000 0.000 0.320 24 F C -0.854 174.947 175.800 0.002 0.000 1.118 24 F CA -1.436 56.534 58.000 -0.051 0.000 0.915 24 F CB 1.313 40.291 39.000 -0.037 0.000 1.161 24 F HN -0.252 nan 8.300 nan 0.000 0.445 25 D N 5.287 125.225 120.400 -0.768 0.000 2.461 25 D HA 0.137 4.777 4.640 -0.000 0.000 0.240 25 D C 0.482 176.224 176.300 -0.929 0.000 1.094 25 D CA 0.019 53.645 54.000 -0.624 0.000 0.868 25 D CB 1.349 41.983 40.800 -0.277 0.000 1.062 25 D HN 0.894 nan 8.370 nan 0.000 0.530 26 E N 2.635 122.333 120.200 -0.837 0.000 2.028 26 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 26 E C 1.331 177.824 176.600 -0.178 0.000 0.984 26 E CA 0.757 56.861 56.400 -0.494 0.000 0.800 26 E CB 0.075 29.716 29.700 -0.099 0.000 0.758 26 E HN 0.630 nan 8.360 nan 0.000 0.448 27 H N 0.089 119.057 119.070 -0.170 0.000 2.289 27 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 27 H C 1.682 176.953 175.328 -0.095 0.000 1.091 27 H CA 2.562 58.552 56.048 -0.096 0.000 1.274 27 H CB -0.270 29.449 29.762 -0.073 0.000 1.364 27 H HN 0.212 nan 8.280 nan 0.000 0.490 28 A N -0.343 122.378 122.820 -0.164 0.000 2.066 28 A HA 0.195 4.514 4.320 -0.000 0.000 0.218 28 A C 1.822 179.308 177.584 -0.165 0.000 1.157 28 A CA 0.983 52.909 52.037 -0.187 0.000 0.670 28 A CB -0.868 18.079 19.000 -0.089 0.000 0.804 28 A HN 1.009 nan 8.150 nan 0.000 0.453 29 G N -0.895 107.797 108.800 -0.180 0.000 2.326 29 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.286 29 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.286 29 G C -0.205 174.668 174.900 -0.046 0.000 1.096 29 G CA 0.324 45.367 45.100 -0.094 0.000 1.003 29 G HN 0.612 nan 8.290 nan 0.000 0.503 30 R N -0.944 119.488 120.500 -0.113 0.000 2.575 30 R HA 0.723 5.063 4.340 -0.000 0.000 0.293 30 R C 0.052 176.375 176.300 0.038 0.000 0.983 30 R CA -0.656 55.429 56.100 -0.025 0.000 0.887 30 R CB 1.533 31.800 30.300 -0.055 0.000 1.184 30 R HN 0.283 nan 8.270 nan 0.000 0.445 31 I N 1.258 121.873 120.570 0.076 0.000 2.378 31 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 31 I C -0.381 175.662 176.117 -0.124 0.000 0.992 31 I CA -0.784 60.509 61.300 -0.013 0.000 1.154 31 I CB 1.727 39.643 38.000 -0.139 0.000 1.315 31 I HN 0.415 nan 8.210 nan 0.000 0.448 32 D N 8.676 128.973 120.400 -0.172 0.000 2.325 32 D HA 0.172 4.812 4.640 -0.000 0.000 0.251 32 D C -1.745 174.370 176.300 -0.309 0.000 1.196 32 D CA -2.031 51.850 54.000 -0.198 0.000 0.866 32 D CB 1.762 42.499 40.800 -0.106 0.000 1.101 32 D HN 0.212 nan 8.370 nan 0.000 0.476 33 P HA 0.000 nan 4.420 nan 0.000 0.230 33 P C 1.187 178.415 177.300 -0.121 0.000 1.158 33 P CA 0.476 63.397 63.100 -0.299 0.000 0.769 33 P CB 0.279 31.636 31.700 -0.571 0.000 0.807 34 R N 0.359 120.779 120.500 -0.133 0.000 2.170 34 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 34 R C 2.229 178.443 176.300 -0.144 0.000 1.145 34 R CA 1.361 57.431 56.100 -0.050 0.000 0.984 34 R CB -1.080 29.256 30.300 0.061 0.000 0.869 34 R HN 0.340 nan 8.270 nan 0.000 0.455 35 I N -2.643 117.706 120.570 -0.369 0.000 2.700 35 I HA -0.215 3.954 4.170 -0.000 0.000 0.261 35 I C 0.717 176.462 176.117 -0.620 0.000 1.219 35 I CA 1.447 62.410 61.300 -0.560 0.000 1.463 35 I CB -0.202 37.209 38.000 -0.983 0.000 1.092 35 I HN 0.014 nan 8.210 nan 0.000 0.452 36 Y N 1.218 121.354 120.300 -0.272 0.000 2.458 36 Y HA 0.190 4.740 4.550 -0.000 0.000 0.256 36 Y C 2.093 177.939 175.900 -0.091 0.000 1.159 36 Y CA 0.501 58.437 58.100 -0.273 0.000 1.261 36 Y CB 0.015 38.308 38.460 -0.277 0.000 1.119 36 Y HN 0.398 nan 8.280 nan 0.000 0.524 37 T N -5.556 109.043 114.554 0.074 0.000 3.168 37 T HA 0.040 4.390 4.350 -0.000 0.000 0.261 37 T C 0.356 175.117 174.700 0.100 0.000 0.931 37 T CA -0.232 61.927 62.100 0.098 0.000 0.949 37 T CB -0.238 68.695 68.868 0.108 0.000 1.229 37 T HN 0.064 nan 8.240 nan 0.000 0.504 38 D N 2.030 122.495 120.400 0.108 0.000 2.434 38 D HA 0.039 4.679 4.640 -0.000 0.000 0.252 38 D C 1.025 177.436 176.300 0.185 0.000 1.185 38 D CA 0.250 54.354 54.000 0.173 0.000 0.886 38 D CB 1.556 42.496 40.800 0.233 0.000 1.148 38 D HN 0.316 nan 8.370 nan 0.000 0.483 39 E N 3.328 123.641 120.200 0.188 0.000 2.058 39 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 39 E C 0.956 177.703 176.600 0.244 0.000 0.997 39 E CA 1.630 58.148 56.400 0.197 0.000 0.801 39 E CB 0.100 29.888 29.700 0.147 0.000 0.746 39 E HN 0.487 nan 8.360 nan 0.000 0.450 40 D N -0.099 120.449 120.400 0.246 0.000 2.117 40 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 40 D C 2.045 178.434 176.300 0.149 0.000 0.987 40 D CA 0.835 54.978 54.000 0.238 0.000 0.829 40 D CB -0.232 40.791 40.800 0.372 0.000 0.961 40 D HN 0.255 nan 8.370 nan 0.000 0.460 41 L N -0.233 121.028 121.223 0.063 0.000 2.046 41 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 41 L C 2.400 179.327 176.870 0.095 0.000 1.077 41 L CA 0.916 55.711 54.840 -0.076 0.000 0.747 41 L CB -0.428 41.528 42.059 -0.172 0.000 0.896 41 L HN 0.076 nan 8.230 nan 0.000 0.432 42 Y N 0.848 121.200 120.300 0.086 0.000 2.151 42 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 42 Y C 2.771 178.728 175.900 0.094 0.000 1.166 42 Y CA 1.714 59.892 58.100 0.131 0.000 1.163 42 Y CB -0.146 38.380 38.460 0.109 0.000 0.974 42 Y HN 0.206 nan 8.280 nan 0.000 0.511 43 Q N -0.435 119.362 119.800 -0.006 0.000 2.016 43 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 43 Q C 2.366 178.297 176.000 -0.114 0.000 0.978 43 Q CA 1.142 56.884 55.803 -0.102 0.000 0.833 43 Q CB -0.886 27.865 28.738 0.021 0.000 0.895 43 Q HN 0.412 nan 8.270 nan 0.000 0.427 44 L N 1.682 122.872 121.223 -0.055 0.000 2.034 44 L HA -0.243 4.097 4.340 -0.000 0.000 0.217 44 L C 2.225 179.042 176.870 -0.088 0.000 1.077 44 L CA 1.844 56.639 54.840 -0.075 0.000 0.769 44 L CB -1.220 40.781 42.059 -0.097 0.000 0.890 44 L HN 0.373 nan 8.230 nan 0.000 0.435 45 E N -0.645 119.523 120.200 -0.054 0.000 2.070 45 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 45 E C 2.292 178.949 176.600 0.094 0.000 1.004 45 E CA 1.110 57.554 56.400 0.074 0.000 0.805 45 E CB -0.198 29.691 29.700 0.315 0.000 0.744 45 E HN 0.466 nan 8.360 nan 0.000 0.451 46 L N 0.475 121.610 121.223 -0.146 0.000 2.191 46 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 46 L C 2.564 179.425 176.870 -0.015 0.000 1.103 46 L CA 1.097 55.848 54.840 -0.149 0.000 0.769 46 L CB -0.267 41.579 42.059 -0.356 0.000 0.908 46 L HN 0.225 nan 8.230 nan 0.000 0.438 47 E N 0.157 120.333 120.200 -0.039 0.000 2.201 47 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 47 E C 2.094 178.683 176.600 -0.019 0.000 0.957 47 E CA 0.165 56.544 56.400 -0.035 0.000 0.858 47 E CB 0.324 29.992 29.700 -0.054 0.000 0.816 47 E HN 0.361 nan 8.360 nan 0.000 0.475 48 R N -0.277 120.202 120.500 -0.036 0.000 2.282 48 R HA 0.172 4.512 4.340 -0.000 0.000 0.195 48 R C 1.719 177.984 176.300 -0.058 0.000 0.909 48 R CA 0.153 56.214 56.100 -0.065 0.000 1.039 48 R CB 1.022 31.245 30.300 -0.129 0.000 1.015 48 R HN 0.053 nan 8.270 nan 0.000 0.513 49 V N -0.486 119.415 119.914 -0.021 0.000 2.784 49 V HA 0.024 4.144 4.120 -0.000 0.000 0.231 49 V C 1.445 177.470 176.094 -0.115 0.000 1.128 49 V CA 0.905 63.165 62.300 -0.067 0.000 1.178 49 V CB -0.305 31.446 31.823 -0.121 0.000 0.943 49 V HN 0.008 nan 8.190 nan 0.000 0.500 50 F N 1.431 121.339 119.950 -0.070 0.000 2.186 50 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 50 F C 2.470 178.286 175.800 0.027 0.000 1.090 50 F CA 1.401 59.358 58.000 -0.071 0.000 1.307 50 F CB -0.900 38.015 39.000 -0.142 0.000 1.019 50 F HN 0.119 nan 8.300 nan 0.000 0.489 51 A N 0.242 123.188 122.820 0.211 0.000 1.972 51 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 51 A C 1.943 179.608 177.584 0.134 0.000 1.169 51 A CA 1.459 53.625 52.037 0.215 0.000 0.635 51 A CB -0.510 18.541 19.000 0.085 0.000 0.810 51 A HN 0.377 nan 8.150 nan 0.000 0.446 52 R N -0.487 120.042 120.500 0.048 0.000 2.472 52 R HA 0.289 4.629 4.340 -0.000 0.000 0.279 52 R C -0.288 175.986 176.300 -0.042 0.000 0.953 52 R CA 0.148 56.244 56.100 -0.006 0.000 1.088 52 R CB 0.683 30.997 30.300 0.023 0.000 1.197 52 R HN 0.300 nan 8.270 nan 0.000 0.536 53 S N -0.397 115.272 115.700 -0.051 0.000 2.681 53 S HA 0.336 4.806 4.470 -0.000 0.000 0.299 53 S C -0.901 173.506 174.600 -0.321 0.000 1.113 53 S CA -0.815 57.368 58.200 -0.029 0.000 1.013 53 S CB 0.896 64.213 63.200 0.194 0.000 1.076 53 S HN 0.173 nan 8.310 nan 0.000 0.534 54 W N 2.171 123.222 121.300 -0.415 0.000 2.419 54 W HA 0.464 5.124 4.660 -0.000 0.000 0.312 54 W C -0.581 176.007 176.519 0.116 0.000 1.323 54 W CA -0.351 56.841 57.345 -0.255 0.000 1.293 54 W CB -0.148 28.979 29.460 -0.556 0.000 1.324 54 W HN 0.278 nan 8.180 nan 0.000 0.512 55 L N 4.999 126.372 121.223 0.251 0.000 2.325 55 L HA 0.453 4.793 4.340 -0.000 0.000 0.278 55 L C -0.136 176.723 176.870 -0.018 0.000 1.023 55 L CA -1.497 53.429 54.840 0.144 0.000 0.811 55 L CB 0.921 43.000 42.059 0.033 0.000 1.249 55 L HN 0.186 nan 8.230 nan 0.000 0.431 56 L N 3.387 124.471 121.223 -0.231 0.000 2.418 56 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 56 L C 0.312 177.043 176.870 -0.230 0.000 1.135 56 L CA 0.606 55.128 54.840 -0.531 0.000 0.870 56 L CB 0.411 42.209 42.059 -0.434 0.000 1.154 56 L HN 0.593 nan 8.230 nan 0.000 0.462 57 L N 5.059 126.167 121.223 -0.192 0.000 2.590 57 L HA 0.590 4.930 4.340 -0.000 0.000 0.227 57 L C 1.047 177.921 176.870 0.006 0.000 1.099 57 L CA 0.288 55.092 54.840 -0.060 0.000 0.872 57 L CB -0.474 41.540 42.059 -0.075 0.000 1.088 57 L HN 0.890 nan 8.230 nan 0.000 0.479 58 G N -1.370 107.423 108.800 -0.012 0.000 2.339 58 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.275 58 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.275 58 G C -1.822 173.033 174.900 -0.075 0.000 1.323 58 G CA -0.760 44.322 45.100 -0.031 0.000 0.927 58 G HN -0.006 nan 8.290 nan 0.000 0.486 59 H N 0.428 119.285 119.070 -0.355 0.000 2.533 59 H HA 0.443 4.999 4.556 -0.000 0.000 0.343 59 H C 1.223 176.459 175.328 -0.154 0.000 1.160 59 H CA -0.069 55.850 56.048 -0.216 0.000 1.218 59 H CB 2.033 31.621 29.762 -0.291 0.000 1.566 59 H HN 0.663 nan 8.280 nan 0.000 0.522 60 E N 0.954 120.885 120.200 -0.449 0.000 2.118 60 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 60 E C 1.539 178.117 176.600 -0.036 0.000 0.992 60 E CA 1.907 58.184 56.400 -0.205 0.000 0.804 60 E CB 0.130 29.689 29.700 -0.235 0.000 0.741 60 E HN 0.693 nan 8.360 nan 0.000 0.458 61 T N -1.570 113.071 114.554 0.145 0.000 3.163 61 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 61 T C 1.507 176.215 174.700 0.014 0.000 1.156 61 T CA 0.467 62.625 62.100 0.096 0.000 1.072 61 T CB 0.043 68.986 68.868 0.126 0.000 0.937 61 T HN 0.112 nan 8.240 nan 0.000 0.528 62 Q N 0.851 120.639 119.800 -0.020 0.000 2.311 62 Q HA 0.226 4.566 4.340 -0.000 0.000 0.203 62 Q C 0.866 176.830 176.000 -0.060 0.000 0.954 62 Q CA 0.658 56.416 55.803 -0.076 0.000 0.885 62 Q CB -0.127 28.528 28.738 -0.138 0.000 0.963 62 Q HN 0.852 nan 8.270 nan 0.000 0.471 63 I N -2.809 117.736 120.570 -0.041 0.000 2.750 63 I HA 0.346 4.516 4.170 -0.000 0.000 0.279 63 I C 0.423 176.530 176.117 -0.016 0.000 1.206 63 I CA -0.635 60.649 61.300 -0.028 0.000 1.101 63 I CB 0.910 38.906 38.000 -0.006 0.000 1.431 63 I HN -0.169 nan 8.210 nan 0.000 0.551 64 R N 2.608 123.097 120.500 -0.019 0.000 2.048 64 R HA 0.184 4.524 4.340 -0.000 0.000 0.224 64 R C 0.385 176.682 176.300 -0.004 0.000 1.163 64 R CA 0.792 56.885 56.100 -0.011 0.000 0.956 64 R CB -0.012 30.281 30.300 -0.012 0.000 0.849 64 R HN 0.485 nan 8.270 nan 0.000 0.435 65 K N 1.354 121.751 120.400 -0.005 0.000 2.107 65 K HA 0.211 4.531 4.320 -0.000 0.000 0.251 65 K C -2.495 174.113 176.600 0.015 0.000 1.012 65 K CA -1.904 54.384 56.287 0.002 0.000 0.920 65 K CB 0.188 32.687 32.500 -0.003 0.000 1.033 65 K HN -0.109 nan 8.250 nan 0.000 0.478 66 P HA 0.037 nan 4.420 nan 0.000 0.271 66 P C 0.455 177.779 177.300 0.041 0.000 1.216 66 P CA 0.453 63.574 63.100 0.034 0.000 0.771 66 P CB 0.849 32.565 31.700 0.027 0.000 0.864 67 G N 1.917 110.759 108.800 0.071 0.000 2.254 67 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.225 67 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.225 67 G C -0.115 174.872 174.900 0.146 0.000 1.003 67 G CA -0.402 44.749 45.100 0.085 0.000 0.622 67 G HN 0.501 nan 8.290 nan 0.000 0.507 68 D N 0.966 121.417 120.400 0.085 0.000 2.455 68 D HA 0.521 5.161 4.640 -0.000 0.000 0.241 68 D C 0.368 176.753 176.300 0.142 0.000 1.138 68 D CA 0.865 54.881 54.000 0.027 0.000 0.877 68 D CB 0.399 41.185 40.800 -0.023 0.000 1.187 68 D HN 0.669 nan 8.370 nan 0.000 0.451 69 Y N -0.574 119.785 120.300 0.099 0.000 2.581 69 Y HA 0.691 5.241 4.550 -0.000 0.000 0.345 69 Y C -0.694 175.233 175.900 0.046 0.000 1.036 69 Y CA -1.413 56.743 58.100 0.094 0.000 1.042 69 Y CB 0.834 39.406 38.460 0.186 0.000 1.289 69 Y HN 0.283 nan 8.280 nan 0.000 0.471 70 I N -0.523 120.162 120.570 0.192 0.000 3.042 70 I HA 0.894 5.064 4.170 -0.000 0.000 0.310 70 I C -0.804 175.413 176.117 0.167 0.000 1.117 70 I CA -1.216 60.175 61.300 0.151 0.000 1.003 70 I CB 2.664 40.705 38.000 0.067 0.000 1.228 70 I HN 0.749 nan 8.210 nan 0.000 0.443 71 T N 0.187 114.831 114.554 0.150 0.000 2.792 71 T HA 0.822 5.172 4.350 -0.000 0.000 0.280 71 T C -0.100 174.672 174.700 0.120 0.000 0.990 71 T CA -0.293 61.825 62.100 0.031 0.000 0.960 71 T CB 1.451 70.312 68.868 -0.011 0.000 0.939 71 T HN 0.975 nan 8.240 nan 0.000 0.439 72 T N 0.117 114.628 114.554 -0.072 0.000 2.565 72 T HA 0.669 5.019 4.350 -0.000 0.000 0.253 72 T C -1.442 172.898 174.700 -0.601 0.000 0.868 72 T CA -0.806 61.169 62.100 -0.208 0.000 1.213 72 T CB 0.485 69.258 68.868 -0.158 0.000 1.518 72 T HN 0.576 nan 8.240 nan 0.000 0.474 73 Y N -0.517 119.447 120.300 -0.559 0.000 2.545 73 Y HA 0.717 5.267 4.550 -0.000 0.000 0.348 73 Y C -0.349 175.421 175.900 -0.216 0.000 1.002 73 Y CA -1.184 56.631 58.100 -0.475 0.000 1.039 73 Y CB 2.612 40.549 38.460 -0.871 0.000 1.271 73 Y HN 0.631 nan 8.280 nan 0.000 0.467 74 M N 2.866 122.515 119.600 0.081 0.000 1.956 74 M HA 0.454 4.934 4.480 -0.000 0.000 0.256 74 M C 0.185 176.600 176.300 0.190 0.000 0.869 74 M CA 0.294 55.661 55.300 0.112 0.000 0.886 74 M CB 0.355 32.965 32.600 0.017 0.000 1.739 74 M HN 0.963 nan 8.290 nan 0.000 0.381 75 G N 2.825 111.690 108.800 0.109 0.000 2.652 75 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.278 75 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.278 75 G C 0.162 174.991 174.900 -0.118 0.000 1.263 75 G CA 0.448 45.454 45.100 -0.156 0.000 0.966 75 G HN 0.663 nan 8.290 nan 0.000 0.544 76 E N 1.447 121.618 120.200 -0.049 0.000 2.630 76 E HA 0.238 4.588 4.350 -0.000 0.000 0.218 76 E C -0.811 175.899 176.600 0.183 0.000 0.977 76 E CA 0.041 56.458 56.400 0.029 0.000 1.038 76 E CB 0.529 30.219 29.700 -0.016 0.000 1.051 76 E HN 0.550 nan 8.360 nan 0.000 0.487 77 D N 3.510 124.008 120.400 0.164 0.000 2.277 77 D HA 0.122 4.762 4.640 -0.000 0.000 0.249 77 D C -2.389 173.950 176.300 0.065 0.000 1.134 77 D CA -1.576 52.496 54.000 0.119 0.000 0.863 77 D CB 1.084 41.950 40.800 0.110 0.000 1.143 77 D HN -0.040 nan 8.370 nan 0.000 0.458 78 P HA 0.104 nan 4.420 nan 0.000 0.278 78 P C -0.741 176.373 177.300 -0.311 0.000 1.238 78 P CA -0.514 62.229 63.100 -0.596 0.000 0.794 78 P CB 1.166 32.524 31.700 -0.570 0.000 0.955 79 V N 0.573 120.262 119.914 -0.375 0.000 2.962 79 V HA 0.615 4.735 4.120 -0.000 0.000 0.313 79 V C -0.405 175.430 176.094 -0.433 0.000 1.099 79 V CA -1.120 60.995 62.300 -0.308 0.000 0.971 79 V CB 1.928 33.614 31.823 -0.229 0.000 1.028 79 V HN 0.238 nan 8.190 nan 0.000 0.430 80 V N 2.603 122.108 119.914 -0.682 0.000 2.481 80 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 80 V C -0.028 175.726 176.094 -0.567 0.000 1.042 80 V CA -0.520 61.333 62.300 -0.745 0.000 0.928 80 V CB 1.396 32.465 31.823 -1.256 0.000 0.986 80 V HN 0.752 nan 8.190 nan 0.000 0.462 81 V N 5.310 125.074 119.914 -0.251 0.000 2.326 81 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 81 V C -0.333 175.782 176.094 0.034 0.000 1.015 81 V CA -0.347 61.888 62.300 -0.108 0.000 0.823 81 V CB 1.608 33.393 31.823 -0.064 0.000 1.009 81 V HN 0.664 nan 8.190 nan 0.000 0.436 82 V N 4.749 124.717 119.914 0.090 0.000 2.540 82 V HA 0.529 4.649 4.120 -0.000 0.000 0.302 82 V C 0.105 176.298 176.094 0.165 0.000 1.035 82 V CA -1.057 61.374 62.300 0.218 0.000 0.873 82 V CB 2.083 34.139 31.823 0.388 0.000 0.992 82 V HN 0.812 nan 8.190 nan 0.000 0.428 83 R N 3.934 124.516 120.500 0.137 0.000 2.401 83 R HA 0.282 4.622 4.340 -0.000 0.000 0.299 83 R C 0.102 176.463 176.300 0.102 0.000 1.064 83 R CA 0.266 56.421 56.100 0.092 0.000 1.000 83 R CB 0.305 30.640 30.300 0.059 0.000 0.973 83 R HN 0.665 nan 8.270 nan 0.000 0.438 84 Q N 3.017 122.868 119.800 0.085 0.000 2.171 84 Q HA 0.142 4.482 4.340 -0.000 0.000 0.217 84 Q C 0.773 176.804 176.000 0.052 0.000 0.995 84 Q CA -0.309 55.541 55.803 0.079 0.000 0.979 84 Q CB 0.623 29.409 28.738 0.080 0.000 1.152 84 Q HN 0.711 nan 8.270 nan 0.000 0.525 85 K N 0.096 120.522 120.400 0.043 0.000 2.097 85 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 85 K C 0.630 177.244 176.600 0.023 0.000 1.050 85 K CA 1.718 58.022 56.287 0.028 0.000 0.938 85 K CB -0.072 32.441 32.500 0.022 0.000 0.718 85 K HN 0.489 nan 8.250 nan 0.000 0.442 86 D N 0.692 121.107 120.400 0.026 0.000 2.324 86 D HA 0.091 4.731 4.640 -0.000 0.000 0.235 86 D C 0.720 177.032 176.300 0.020 0.000 1.095 86 D CA 0.596 54.608 54.000 0.021 0.000 0.871 86 D CB 0.359 41.172 40.800 0.022 0.000 0.906 86 D HN 0.365 nan 8.370 nan 0.000 0.522 87 A N -0.197 122.637 122.820 0.024 0.000 3.153 87 A HA -0.244 4.076 4.320 -0.000 0.000 0.265 87 A C 1.096 178.695 177.584 0.024 0.000 1.212 87 A CA 1.067 53.117 52.037 0.021 0.000 1.018 87 A CB -2.621 16.385 19.000 0.010 0.000 1.130 87 A HN 0.858 nan 8.150 nan 0.000 0.873 88 S N -0.946 114.774 115.700 0.033 0.000 2.598 88 S HA 0.604 5.074 4.470 -0.000 0.000 0.256 88 S C 0.137 174.767 174.600 0.051 0.000 1.350 88 S CA 0.326 58.550 58.200 0.040 0.000 0.984 88 S CB 0.746 63.975 63.200 0.048 0.000 0.930 88 S HN 0.868 nan 8.310 nan 0.000 0.577 89 I N 1.175 121.777 120.570 0.053 0.000 2.410 89 I HA 0.499 4.669 4.170 -0.000 0.000 0.286 89 I C 0.180 176.344 176.117 0.078 0.000 1.009 89 I CA -0.672 60.664 61.300 0.060 0.000 1.111 89 I CB 1.439 39.459 38.000 0.035 0.000 1.262 89 I HN 0.860 nan 8.210 nan 0.000 0.443 90 A N 6.389 129.277 122.820 0.114 0.000 2.310 90 A HA 0.780 5.100 4.320 -0.000 0.000 0.299 90 A C -0.621 177.027 177.584 0.107 0.000 1.147 90 A CA -0.405 51.725 52.037 0.156 0.000 0.818 90 A CB 1.122 20.274 19.000 0.253 0.000 1.096 90 A HN 0.462 nan 8.150 nan 0.000 0.495 91 V N 3.396 123.359 119.914 0.082 0.000 2.482 91 V HA 0.530 4.650 4.120 -0.000 0.000 0.295 91 V C -1.138 174.989 176.094 0.055 0.000 1.026 91 V CA -0.246 62.014 62.300 -0.066 0.000 0.856 91 V CB 0.703 32.434 31.823 -0.152 0.000 1.001 91 V HN 0.799 nan 8.190 nan 0.000 0.424 92 F N 3.710 123.661 119.950 0.002 0.000 2.563 92 F HA 0.806 5.333 4.527 -0.000 0.000 0.316 92 F C -0.613 175.253 175.800 0.110 0.000 1.076 92 F CA -1.758 56.290 58.000 0.081 0.000 0.921 92 F CB 1.136 40.157 39.000 0.033 0.000 1.209 92 F HN 0.318 nan 8.300 nan 0.000 0.462 93 L N 3.074 124.549 121.223 0.420 0.000 2.640 93 L HA 0.018 4.358 4.340 -0.000 0.000 0.280 93 L C 0.460 177.391 176.870 0.101 0.000 1.229 93 L CA 0.504 55.488 54.840 0.240 0.000 0.919 93 L CB -0.376 41.737 42.059 0.091 0.000 1.168 93 L HN 0.816 nan 8.230 nan 0.000 0.496 94 N N 4.788 123.449 118.700 -0.065 0.000 3.303 94 N HA 0.098 4.838 4.740 -0.000 0.000 0.304 94 N C -1.031 174.434 175.510 -0.075 0.000 1.302 94 N CA 0.011 52.979 53.050 -0.136 0.000 1.213 94 N CB -0.255 38.074 38.487 -0.263 0.000 1.481 94 N HN 0.750 nan 8.380 nan 0.000 0.546 95 Q N 0.099 119.889 119.800 -0.017 0.000 2.331 95 Q HA 0.215 4.555 4.340 -0.000 0.000 0.249 95 Q C -1.205 174.809 176.000 0.023 0.000 0.913 95 Q CA -0.853 54.945 55.803 -0.008 0.000 0.874 95 Q CB 0.136 28.872 28.738 -0.004 0.000 1.384 95 Q HN 0.224 nan 8.270 nan 0.000 0.427 96 C N 4.004 123.322 119.300 0.030 0.000 2.648 96 C HA 0.257 4.717 4.460 -0.000 0.000 0.419 96 C C 1.303 176.378 174.990 0.141 0.000 1.352 96 C CA -0.109 58.981 59.018 0.122 0.000 1.816 96 C CB -0.166 27.664 27.740 0.149 0.000 2.598 96 C HN 1.084 nan 8.230 nan 0.000 0.598 97 R N 2.013 122.669 120.500 0.260 0.000 2.307 97 R HA -0.042 4.298 4.340 -0.000 0.000 0.199 97 R C 1.963 178.355 176.300 0.153 0.000 1.000 97 R CA 0.662 56.939 56.100 0.294 0.000 1.023 97 R CB -0.368 30.273 30.300 0.569 0.000 0.908 97 R HN 0.894 nan 8.270 nan 0.000 0.473 98 H N 0.638 119.547 119.070 -0.268 0.000 2.267 98 H HA 0.017 4.573 4.556 -0.000 0.000 0.302 98 H C 0.808 175.980 175.328 -0.260 0.000 1.056 98 H CA 1.087 56.784 56.048 -0.585 0.000 1.269 98 H CB 0.516 29.499 29.762 -1.298 0.000 1.385 98 H HN -0.084 nan 8.280 nan 0.000 0.501 99 R N -0.634 119.615 120.500 -0.418 0.000 2.616 99 R HA 0.143 4.483 4.340 -0.000 0.000 0.427 99 R C 0.488 176.777 176.300 -0.018 0.000 1.030 99 R CA 0.510 56.464 56.100 -0.244 0.000 1.133 99 R CB 1.010 31.143 30.300 -0.279 0.000 1.444 99 R HN 0.726 nan 8.270 nan 0.000 0.578 100 G N 1.582 110.382 108.800 0.001 0.000 2.143 100 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 100 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 100 G C 0.236 175.153 174.900 0.028 0.000 0.981 100 G CA 0.595 45.710 45.100 0.024 0.000 0.665 100 G HN 0.287 nan 8.290 nan 0.000 0.528 101 M N 0.775 120.409 119.600 0.058 0.000 2.245 101 M HA 0.483 4.963 4.480 -0.000 0.000 0.330 101 M C 0.884 177.188 176.300 0.007 0.000 1.098 101 M CA -0.615 54.703 55.300 0.030 0.000 1.172 101 M CB 0.363 33.007 32.600 0.073 0.000 1.467 101 M HN 0.268 nan 8.290 nan 0.000 0.454 102 R N 3.697 124.185 120.500 -0.020 0.000 2.421 102 R HA 0.131 4.471 4.340 -0.000 0.000 0.305 102 R C 0.660 176.932 176.300 -0.047 0.000 1.039 102 R CA 0.049 56.122 56.100 -0.045 0.000 1.003 102 R CB -0.028 30.242 30.300 -0.050 0.000 0.959 102 R HN 0.935 nan 8.270 nan 0.000 0.427 103 I N 2.588 123.101 120.570 -0.096 0.000 2.233 103 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 103 I C 1.033 177.059 176.117 -0.151 0.000 1.093 103 I CA 0.749 61.974 61.300 -0.124 0.000 1.380 103 I CB 0.091 37.932 38.000 -0.265 0.000 1.067 103 I HN 0.521 nan 8.210 nan 0.000 0.413 104 C N 1.818 120.951 119.300 -0.277 0.000 2.322 104 C HA 0.429 4.889 4.460 -0.000 0.000 0.324 104 C C 0.922 175.812 174.990 -0.167 0.000 1.284 104 C CA -0.635 58.184 59.018 -0.333 0.000 1.606 104 C CB 0.232 27.532 27.740 -0.732 0.000 2.251 104 C HN 0.364 nan 8.230 nan 0.000 0.502 105 R N 3.895 124.362 120.500 -0.056 0.000 2.700 105 R HA 0.523 4.863 4.340 -0.000 0.000 0.377 105 R C -0.112 176.223 176.300 0.060 0.000 1.130 105 R CA -0.043 56.058 56.100 0.002 0.000 1.055 105 R CB 0.583 30.895 30.300 0.020 0.000 1.387 105 R HN 0.715 nan 8.270 nan 0.000 0.580 106 A N -0.069 122.816 122.820 0.107 0.000 2.566 106 A HA 0.359 4.679 4.320 -0.000 0.000 0.292 106 A C -0.391 177.325 177.584 0.219 0.000 1.112 106 A CA -0.759 51.389 52.037 0.185 0.000 0.707 106 A CB 1.442 20.607 19.000 0.275 0.000 1.302 106 A HN -0.008 nan 8.150 nan 0.000 0.409 107 D N 0.273 120.762 120.400 0.150 0.000 2.117 107 D HA 0.277 4.917 4.640 -0.000 0.000 0.198 107 D C 0.781 177.159 176.300 0.130 0.000 0.982 107 D CA 2.363 56.431 54.000 0.113 0.000 0.828 107 D CB 0.136 40.955 40.800 0.031 0.000 0.967 107 D HN 0.931 nan 8.370 nan 0.000 0.464 108 A N -1.365 121.494 122.820 0.065 0.000 2.605 108 A HA 0.677 4.997 4.320 -0.000 0.000 0.294 108 A C -0.134 177.174 177.584 -0.460 0.000 1.062 108 A CA 0.030 51.946 52.037 -0.202 0.000 0.682 108 A CB 1.618 20.533 19.000 -0.143 0.000 1.278 108 A HN 0.275 nan 8.150 nan 0.000 0.410 109 G N 0.304 108.420 108.800 -1.139 0.000 2.335 109 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 109 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 109 G C -1.940 172.528 174.900 -0.720 0.000 1.261 109 G CA -0.206 44.465 45.100 -0.714 0.000 0.871 109 G HN 0.992 nan 8.290 nan 0.000 0.491 110 N N 0.253 118.868 118.700 -0.141 0.000 2.399 110 N HA 0.637 5.377 4.740 -0.000 0.000 0.284 110 N C -0.732 174.899 175.510 0.202 0.000 1.025 110 N CA 0.071 53.150 53.050 0.047 0.000 0.885 110 N CB 1.953 40.437 38.487 -0.004 0.000 1.339 110 N HN 1.009 nan 8.380 nan 0.000 0.487 111 A N 3.135 126.078 122.820 0.205 0.000 2.365 111 A HA 0.438 4.758 4.320 -0.000 0.000 0.318 111 A C 0.694 178.195 177.584 -0.139 0.000 1.091 111 A CA -0.599 51.413 52.037 -0.040 0.000 0.763 111 A CB 1.202 19.953 19.000 -0.414 0.000 1.248 111 A HN 0.686 nan 8.150 nan 0.000 0.442 112 K N 0.747 121.066 120.400 -0.135 0.000 2.186 112 K HA 0.315 4.635 4.320 -0.000 0.000 0.202 112 K C 0.731 177.216 176.600 -0.191 0.000 1.052 112 K CA 1.438 57.655 56.287 -0.117 0.000 0.965 112 K CB -0.039 32.421 32.500 -0.066 0.000 0.746 112 K HN 0.892 nan 8.250 nan 0.000 0.457 113 A N 0.502 123.143 122.820 -0.299 0.000 2.588 113 A HA 0.712 5.032 4.320 -0.000 0.000 0.290 113 A C -1.623 175.660 177.584 -0.502 0.000 1.136 113 A CA -0.810 51.041 52.037 -0.310 0.000 0.681 113 A CB 0.743 19.684 19.000 -0.097 0.000 1.282 113 A HN 0.056 nan 8.150 nan 0.000 0.421 114 F N 0.222 120.251 119.950 0.132 0.000 2.532 114 F HA 0.653 5.180 4.527 -0.000 0.000 0.321 114 F C 0.235 176.180 175.800 0.242 0.000 1.089 114 F CA -0.337 57.750 58.000 0.145 0.000 0.926 114 F CB 3.035 42.106 39.000 0.118 0.000 1.168 114 F HN 0.417 nan 8.300 nan 0.000 0.459 115 T N 1.038 115.825 114.554 0.388 0.000 2.841 115 T HA 0.189 4.539 4.350 -0.000 0.000 0.285 115 T C -0.915 173.973 174.700 0.314 0.000 0.991 115 T CA -0.599 61.700 62.100 0.332 0.000 0.966 115 T CB 1.241 70.230 68.868 0.201 0.000 0.962 115 T HN 0.805 nan 8.240 nan 0.000 0.438 116 C N 4.110 123.642 119.300 0.387 0.000 2.648 116 C HA 0.266 4.726 4.460 -0.000 0.000 0.415 116 C C 2.041 177.160 174.990 0.215 0.000 1.366 116 C CA 0.163 59.358 59.018 0.295 0.000 1.756 116 C CB -1.096 26.858 27.740 0.357 0.000 2.549 116 C HN 1.044 nan 8.230 nan 0.000 0.597 117 S N 4.276 120.067 115.700 0.151 0.000 2.562 117 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 117 S C 1.386 176.057 174.600 0.118 0.000 0.975 117 S CA 0.491 58.762 58.200 0.117 0.000 0.918 117 S CB -0.446 62.798 63.200 0.073 0.000 0.772 117 S HN 0.955 nan 8.310 nan 0.000 0.531 118 Y N 1.815 122.066 120.300 -0.082 0.000 2.138 118 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 118 Y C 1.771 177.427 175.900 -0.406 0.000 1.115 118 Y CA 1.399 59.315 58.100 -0.306 0.000 1.105 118 Y CB 0.161 38.372 38.460 -0.414 0.000 1.004 118 Y HN 0.425 nan 8.280 nan 0.000 0.494 119 H N -1.623 117.545 119.070 0.164 0.000 2.785 119 H HA 0.292 4.848 4.556 -0.000 0.000 0.268 119 H C 0.959 176.395 175.328 0.180 0.000 1.153 119 H CA 0.414 56.516 56.048 0.090 0.000 1.111 119 H CB 1.087 30.825 29.762 -0.039 0.000 1.633 119 H HN 0.500 nan 8.280 nan 0.000 0.576 120 G N 0.223 109.197 108.800 0.290 0.000 2.143 120 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.249 120 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.249 120 G C -0.337 174.764 174.900 0.335 0.000 0.981 120 G CA -0.310 44.954 45.100 0.273 0.000 0.665 120 G HN 0.200 nan 8.290 nan 0.000 0.528 121 W N 0.728 122.062 121.300 0.057 0.000 2.257 121 W HA 0.545 5.205 4.660 -0.000 0.000 0.337 121 W C 0.608 177.049 176.519 -0.129 0.000 1.321 121 W CA 0.134 57.418 57.345 -0.102 0.000 1.267 121 W CB 0.283 29.686 29.460 -0.096 0.000 1.187 121 W HN 0.747 nan 8.180 nan 0.000 0.565 122 A N 4.016 126.715 122.820 -0.202 0.000 2.356 122 A HA 0.896 5.216 4.320 -0.000 0.000 0.323 122 A C -2.036 175.267 177.584 -0.467 0.000 1.119 122 A CA -0.620 51.325 52.037 -0.154 0.000 0.790 122 A CB 1.204 20.182 19.000 -0.037 0.000 1.273 122 A HN 0.475 nan 8.150 nan 0.000 0.452 123 Y N 0.365 120.703 120.300 0.063 0.000 2.504 123 Y HA 0.398 4.948 4.550 -0.000 0.000 0.344 123 Y C -0.166 175.752 175.900 0.030 0.000 1.023 123 Y CA -1.115 57.009 58.100 0.039 0.000 1.020 123 Y CB 1.752 40.254 38.460 0.070 0.000 1.282 123 Y HN 0.886 nan 8.280 nan 0.000 0.454 124 D N -1.436 119.038 120.400 0.123 0.000 2.371 124 D HA 0.057 4.697 4.640 -0.000 0.000 0.242 124 D C 1.168 177.554 176.300 0.143 0.000 1.218 124 D CA -0.092 53.951 54.000 0.072 0.000 0.945 124 D CB 0.466 41.288 40.800 0.036 0.000 1.137 124 D HN 0.617 nan 8.370 nan 0.000 0.464 125 T N -3.785 110.826 114.554 0.094 0.000 3.139 125 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 125 T C 1.316 176.255 174.700 0.399 0.000 1.164 125 T CA 0.563 62.790 62.100 0.213 0.000 1.075 125 T CB -0.427 68.507 68.868 0.109 0.000 0.904 125 T HN 0.546 nan 8.240 nan 0.000 0.540 126 A N 0.325 123.286 122.820 0.236 0.000 2.465 126 A HA 0.690 5.009 4.320 -0.000 0.000 0.255 126 A C 1.707 179.251 177.584 -0.067 0.000 1.274 126 A CA 0.094 52.260 52.037 0.215 0.000 0.920 126 A CB -0.679 18.405 19.000 0.139 0.000 1.033 126 A HN 1.169 nan 8.150 nan 0.000 0.516 127 G N 0.409 108.942 108.800 -0.445 0.000 2.198 127 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 127 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 127 G C -0.289 174.440 174.900 -0.284 0.000 1.025 127 G CA 0.141 44.568 45.100 -1.122 0.000 0.769 127 G HN 0.524 nan 8.290 nan 0.000 0.507 128 N N -0.198 118.481 118.700 -0.035 0.000 2.479 128 N HA 0.396 5.136 4.740 -0.000 0.000 0.285 128 N C 0.071 175.621 175.510 0.068 0.000 1.075 128 N CA -0.589 52.483 53.050 0.037 0.000 0.967 128 N CB 1.828 40.318 38.487 0.004 0.000 1.137 128 N HN 0.238 nan 8.380 nan 0.000 0.472 129 L N 3.703 124.924 121.223 -0.003 0.000 2.385 129 L HA 0.048 4.388 4.340 -0.000 0.000 0.281 129 L C 1.116 177.814 176.870 -0.287 0.000 1.106 129 L CA 0.109 54.751 54.840 -0.331 0.000 0.856 129 L CB 0.296 42.201 42.059 -0.257 0.000 1.186 129 L HN 0.466 nan 8.230 nan 0.000 0.453 130 V N 2.450 122.178 119.914 -0.310 0.000 2.436 130 V HA 0.368 4.487 4.120 -0.000 0.000 0.240 130 V C 0.396 176.332 176.094 -0.263 0.000 1.040 130 V CA 1.026 63.197 62.300 -0.215 0.000 1.052 130 V CB -0.677 31.064 31.823 -0.136 0.000 0.707 130 V HN 0.959 nan 8.190 nan 0.000 0.469 131 N N -1.715 116.788 118.700 -0.327 0.000 2.710 131 N HA 0.598 5.338 4.740 -0.000 0.000 0.257 131 N C -1.673 173.579 175.510 -0.429 0.000 1.327 131 N CA -0.612 52.232 53.050 -0.343 0.000 0.861 131 N CB 2.318 40.672 38.487 -0.222 0.000 1.532 131 N HN 0.019 nan 8.380 nan 0.000 0.499 132 V N 0.902 120.540 119.914 -0.460 0.000 2.525 132 V HA 0.570 4.690 4.120 -0.000 0.000 0.299 132 V C -2.316 173.643 176.094 -0.225 0.000 1.034 132 V CA -1.537 60.413 62.300 -0.582 0.000 0.863 132 V CB 1.848 33.019 31.823 -1.086 0.000 0.999 132 V HN 0.722 nan 8.190 nan 0.000 0.423 133 P HA 0.089 nan 4.420 nan 0.000 0.265 133 P C -0.531 176.797 177.300 0.047 0.000 1.187 133 P CA 0.464 63.511 63.100 -0.090 0.000 0.766 133 P CB -0.062 31.652 31.700 0.023 0.000 0.820 134 Y N -1.023 119.307 120.300 0.050 0.000 3.491 134 Y HA -0.296 4.254 4.550 -0.000 0.000 0.215 134 Y C 1.741 177.676 175.900 0.058 0.000 1.219 134 Y CA 0.915 59.041 58.100 0.043 0.000 1.485 134 Y CB -2.422 36.060 38.460 0.036 0.000 1.450 134 Y HN 0.471 nan 8.280 nan 0.000 0.603 135 E N 0.887 121.147 120.200 0.101 0.000 2.021 135 E HA -0.291 4.058 4.350 -0.000 0.000 0.200 135 E C 2.346 178.993 176.600 0.079 0.000 1.015 135 E CA 1.617 58.069 56.400 0.085 0.000 0.824 135 E CB -0.183 29.493 29.700 -0.039 0.000 0.762 135 E HN 0.593 nan 8.360 nan 0.000 0.454 136 A N 0.508 123.352 122.820 0.040 0.000 1.917 136 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 136 A C 1.943 179.541 177.584 0.023 0.000 1.182 136 A CA 2.211 54.263 52.037 0.025 0.000 0.633 136 A CB -0.633 18.375 19.000 0.015 0.000 0.819 136 A HN 0.318 nan 8.150 nan 0.000 0.448 137 E N -0.455 119.769 120.200 0.041 0.000 2.076 137 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 137 E C 2.162 178.729 176.600 -0.054 0.000 0.979 137 E CA 1.484 57.887 56.400 0.005 0.000 0.807 137 E CB -0.082 29.633 29.700 0.025 0.000 0.761 137 E HN 0.554 nan 8.360 nan 0.000 0.454 138 S N -0.820 114.836 115.700 -0.073 0.000 2.591 138 S HA 0.248 4.718 4.470 -0.000 0.000 0.235 138 S C 0.017 174.348 174.600 -0.448 0.000 1.074 138 S CA -0.095 57.928 58.200 -0.295 0.000 0.925 138 S CB 0.324 63.292 63.200 -0.385 0.000 0.818 138 S HN 0.073 nan 8.310 nan 0.000 0.535 139 F N 1.847 121.767 119.950 -0.050 0.000 2.443 139 F HA 0.657 5.184 4.527 -0.000 0.000 0.369 139 F C 0.056 175.807 175.800 -0.082 0.000 1.090 139 F CA -0.764 57.185 58.000 -0.084 0.000 1.129 139 F CB 1.063 39.974 39.000 -0.147 0.000 1.367 139 F HN 0.080 nan 8.300 nan 0.000 0.465 140 A N 1.478 124.343 122.820 0.074 0.000 2.938 140 A HA 0.628 4.948 4.320 -0.000 0.000 0.344 140 A C 0.195 177.798 177.584 0.032 0.000 1.142 140 A CA -0.277 51.783 52.037 0.037 0.000 0.841 140 A CB 0.090 19.098 19.000 0.013 0.000 1.083 140 A HN 0.925 nan 8.150 nan 0.000 0.479 141 C N 0.083 119.408 119.300 0.042 0.000 5.817 141 C HA -0.047 4.413 4.460 -0.000 0.000 0.253 141 C C -0.171 174.864 174.990 0.074 0.000 1.620 141 C CA -0.430 58.620 59.018 0.052 0.000 1.177 141 C CB -1.639 26.135 27.740 0.057 0.000 2.199 141 C HN 0.803 nan 8.230 nan 0.000 0.632 142 L N 3.344 124.603 121.223 0.060 0.000 2.530 142 L HA 0.379 4.719 4.340 -0.000 0.000 0.273 142 L C 0.321 177.219 176.870 0.047 0.000 1.141 142 L CA 0.887 55.747 54.840 0.033 0.000 0.905 142 L CB -0.006 41.973 42.059 -0.133 0.000 1.202 142 L HN 0.312 nan 8.230 nan 0.000 0.473 143 N N 4.070 122.872 118.700 0.171 0.000 2.549 143 N HA -0.002 4.738 4.740 -0.000 0.000 0.267 143 N C 0.766 176.366 175.510 0.151 0.000 1.182 143 N CA 0.281 53.418 53.050 0.146 0.000 1.019 143 N CB 0.251 38.833 38.487 0.158 0.000 1.380 143 N HN 0.607 nan 8.380 nan 0.000 0.505 144 K N 1.702 122.114 120.400 0.021 0.000 2.280 144 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 144 K C 1.389 178.001 176.600 0.021 0.000 1.047 144 K CA 1.019 57.290 56.287 -0.027 0.000 0.942 144 K CB 0.339 32.754 32.500 -0.142 0.000 0.739 144 K HN 0.474 nan 8.250 nan 0.000 0.457 145 K N 0.770 121.178 120.400 0.014 0.000 2.005 145 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 145 K C 2.143 178.732 176.600 -0.019 0.000 1.044 145 K CA 1.412 57.700 56.287 0.002 0.000 0.942 145 K CB -0.126 32.369 32.500 -0.008 0.000 0.727 145 K HN 0.080 nan 8.250 nan 0.000 0.439 146 E N 0.836 120.993 120.200 -0.071 0.000 2.130 146 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 146 E C 0.929 177.293 176.600 -0.393 0.000 0.998 146 E CA 1.434 57.678 56.400 -0.260 0.000 0.806 146 E CB -0.286 29.210 29.700 -0.339 0.000 0.738 146 E HN 0.378 nan 8.360 nan 0.000 0.459 147 W N 1.060 122.387 121.300 0.044 0.000 3.391 147 W HA 0.370 5.030 4.660 -0.000 0.000 0.372 147 W C 0.091 176.700 176.519 0.150 0.000 1.171 147 W CA -0.387 57.020 57.345 0.103 0.000 1.862 147 W CB 0.300 29.828 29.460 0.114 0.000 1.048 147 W HN -0.158 nan 8.180 nan 0.000 0.726 148 S N 1.954 117.785 115.700 0.218 0.000 2.610 148 S HA 0.296 4.766 4.470 -0.000 0.000 0.273 148 S C -1.975 172.732 174.600 0.178 0.000 1.274 148 S CA -1.201 57.136 58.200 0.228 0.000 1.023 148 S CB 0.637 63.913 63.200 0.127 0.000 0.962 148 S HN -0.185 nan 8.310 nan 0.000 0.523 149 P HA 0.011 nan 4.420 nan 0.000 0.265 149 P C -0.278 177.104 177.300 0.136 0.000 1.187 149 P CA -0.469 62.710 63.100 0.131 0.000 0.766 149 P CB 0.206 31.978 31.700 0.120 0.000 0.820 150 L N 3.345 124.629 121.223 0.100 0.000 2.615 150 L HA -0.072 4.268 4.340 -0.000 0.000 0.284 150 L C 0.640 177.712 176.870 0.338 0.000 1.237 150 L CA 1.186 56.096 54.840 0.116 0.000 0.905 150 L CB -0.353 41.655 42.059 -0.086 0.000 1.149 150 L HN 0.288 nan 8.230 nan 0.000 0.499 151 K N 3.875 124.464 120.400 0.314 0.000 2.110 151 K HA 0.752 5.072 4.320 -0.000 0.000 0.263 151 K C -0.623 176.181 176.600 0.341 0.000 0.975 151 K CA -0.485 55.995 56.287 0.322 0.000 0.895 151 K CB 1.486 34.102 32.500 0.195 0.000 1.060 151 K HN 0.731 nan 8.250 nan 0.000 0.448 152 A N 2.565 125.449 122.820 0.108 0.000 2.340 152 A HA 0.471 4.791 4.320 -0.000 0.000 0.331 152 A C -0.639 176.888 177.584 -0.094 0.000 1.140 152 A CA -0.853 51.075 52.037 -0.182 0.000 0.801 152 A CB 0.670 19.164 19.000 -0.844 0.000 1.234 152 A HN 0.751 nan 8.150 nan 0.000 0.469 153 R N 0.519 120.956 120.500 -0.106 0.000 2.489 153 R HA 0.382 4.722 4.340 -0.000 0.000 0.287 153 R C -0.924 175.446 176.300 0.116 0.000 1.053 153 R CA -0.079 56.038 56.100 0.027 0.000 1.036 153 R CB 0.524 30.862 30.300 0.064 0.000 0.966 153 R HN 0.381 nan 8.270 nan 0.000 0.432 154 V N 3.233 123.263 119.914 0.192 0.000 2.459 154 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 154 V C -0.118 176.119 176.094 0.239 0.000 1.029 154 V CA -0.542 61.889 62.300 0.220 0.000 0.874 154 V CB 1.628 33.514 31.823 0.104 0.000 0.985 154 V HN 0.775 nan 8.190 nan 0.000 0.438 155 E N 2.023 122.361 120.200 0.231 0.000 2.278 155 E HA 0.475 4.825 4.350 -0.000 0.000 0.272 155 E C -0.776 175.852 176.600 0.047 0.000 0.890 155 E CA -0.571 55.827 56.400 -0.002 0.000 0.770 155 E CB 2.572 32.055 29.700 -0.363 0.000 1.212 155 E HN 0.820 nan 8.360 nan 0.000 0.415 156 T N -0.391 114.188 114.554 0.042 0.000 2.943 156 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 156 T C -0.874 173.897 174.700 0.118 0.000 1.015 156 T CA -0.575 61.591 62.100 0.111 0.000 1.042 156 T CB 1.038 69.920 68.868 0.024 0.000 1.055 156 T HN 0.487 nan 8.240 nan 0.000 0.500 157 Y N 1.428 121.762 120.300 0.056 0.000 2.402 157 Y HA 0.356 4.906 4.550 -0.000 0.000 0.325 157 Y C 0.200 176.100 175.900 0.000 0.000 1.009 157 Y CA -0.821 57.273 58.100 -0.012 0.000 1.278 157 Y CB 0.624 39.050 38.460 -0.057 0.000 1.105 157 Y HN 0.951 nan 8.280 nan 0.000 0.476 158 K N 4.601 124.765 120.400 -0.394 0.000 3.156 158 K HA -0.270 4.050 4.320 -0.000 0.000 0.266 158 K C 0.908 177.436 176.600 -0.120 0.000 0.966 158 K CA 1.059 57.154 56.287 -0.321 0.000 0.719 158 K CB -1.702 30.509 32.500 -0.482 0.000 1.333 158 K HN 1.280 nan 8.250 nan 0.000 0.468 159 G N -0.618 108.085 108.800 -0.161 0.000 2.284 159 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 159 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 159 G C 0.141 174.741 174.900 -0.499 0.000 1.009 159 G CA -0.038 44.814 45.100 -0.414 0.000 0.625 159 G HN 0.185 nan 8.290 nan 0.000 0.501 160 L N 2.085 123.275 121.223 -0.055 0.000 2.367 160 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 160 L C 0.607 177.509 176.870 0.053 0.000 1.129 160 L CA -0.382 54.488 54.840 0.050 0.000 0.839 160 L CB 0.986 43.185 42.059 0.234 0.000 1.133 160 L HN 0.138 nan 8.230 nan 0.000 0.453 161 I N 3.406 123.928 120.570 -0.080 0.000 2.304 161 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 161 I C -0.435 175.627 176.117 -0.091 0.000 1.018 161 I CA -0.106 61.178 61.300 -0.026 0.000 1.260 161 I CB 0.550 38.514 38.000 -0.061 0.000 1.390 161 I HN 0.329 nan 8.210 nan 0.000 0.475 162 F N 4.426 124.419 119.950 0.073 0.000 2.507 162 F HA 0.797 5.324 4.527 -0.000 0.000 0.327 162 F C 0.373 176.320 175.800 0.245 0.000 1.068 162 F CA -0.547 57.549 58.000 0.160 0.000 0.965 162 F CB 1.918 41.033 39.000 0.191 0.000 1.192 162 F HN 0.427 nan 8.300 nan 0.000 0.476 163 A N 2.136 125.174 122.820 0.362 0.000 2.539 163 A HA 0.706 5.026 4.320 -0.000 0.000 0.296 163 A C -1.607 175.770 177.584 -0.344 0.000 1.073 163 A CA -0.635 51.422 52.037 0.033 0.000 0.700 163 A CB 1.890 20.759 19.000 -0.219 0.000 1.296 163 A HN 0.665 nan 8.150 nan 0.000 0.405 164 N N 0.581 118.812 118.700 -0.780 0.000 2.369 164 N HA 0.221 4.961 4.740 -0.000 0.000 0.287 164 N C -0.365 174.739 175.510 -0.676 0.000 1.067 164 N CA -0.462 51.979 53.050 -1.015 0.000 0.888 164 N CB 1.231 38.524 38.487 -1.990 0.000 1.616 164 N HN 0.721 nan 8.380 nan 0.000 0.482 165 W N 0.420 121.544 121.300 -0.293 0.000 2.436 165 W HA 0.053 4.713 4.660 -0.000 0.000 0.284 165 W C 0.813 177.229 176.519 -0.173 0.000 1.225 165 W CA -0.139 57.101 57.345 -0.175 0.000 1.271 165 W CB 0.184 29.575 29.460 -0.115 0.000 1.114 165 W HN 0.441 nan 8.180 nan 0.000 0.559 166 D N 1.256 121.634 120.400 -0.037 0.000 2.342 166 D HA -0.057 4.583 4.640 -0.000 0.000 0.260 166 D C 1.344 177.627 176.300 -0.028 0.000 1.278 166 D CA 0.431 54.417 54.000 -0.024 0.000 0.910 166 D CB 0.600 41.370 40.800 -0.050 0.000 1.079 166 D HN -0.031 nan 8.370 nan 0.000 0.496 167 E N 3.125 123.336 120.200 0.019 0.000 2.332 167 E HA -0.271 4.079 4.350 -0.000 0.000 0.243 167 E C 0.658 177.278 176.600 0.033 0.000 1.088 167 E CA 1.532 57.949 56.400 0.028 0.000 1.048 167 E CB -0.278 29.437 29.700 0.025 0.000 0.911 167 E HN 0.755 nan 8.360 nan 0.000 0.487 168 N N -0.203 118.515 118.700 0.030 0.000 2.735 168 N HA 0.435 5.175 4.740 -0.000 0.000 0.312 168 N C -0.734 174.811 175.510 0.059 0.000 1.843 168 N CA -0.098 52.980 53.050 0.045 0.000 0.945 168 N CB 1.124 39.632 38.487 0.034 0.000 1.299 168 N HN -0.012 nan 8.380 nan 0.000 0.489 169 A N 0.745 123.609 122.820 0.073 0.000 2.306 169 A HA 0.530 4.850 4.320 -0.000 0.000 0.330 169 A C 0.786 178.507 177.584 0.229 0.000 1.146 169 A CA -0.746 51.368 52.037 0.128 0.000 0.827 169 A CB 1.150 20.197 19.000 0.080 0.000 1.178 169 A HN 0.362 nan 8.150 nan 0.000 0.490 170 V N 0.960 121.027 119.914 0.255 0.000 2.843 170 V HA 0.131 4.251 4.120 -0.000 0.000 0.305 170 V C 0.198 176.541 176.094 0.415 0.000 1.120 170 V CA -0.097 62.367 62.300 0.273 0.000 1.254 170 V CB -0.402 31.562 31.823 0.235 0.000 0.901 170 V HN 0.913 nan 8.190 nan 0.000 0.503 171 D N 3.699 124.252 120.400 0.255 0.000 2.400 171 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 171 D C 1.051 177.233 176.300 -0.197 0.000 1.157 171 D CA -0.061 54.005 54.000 0.109 0.000 0.889 171 D CB 1.107 41.916 40.800 0.015 0.000 1.199 171 D HN 0.657 nan 8.370 nan 0.000 0.436 172 L N 0.581 121.232 121.223 -0.953 0.000 2.051 172 L HA -0.255 4.085 4.340 -0.000 0.000 0.214 172 L C 1.660 178.263 176.870 -0.444 0.000 1.076 172 L CA 2.047 56.151 54.840 -1.226 0.000 0.758 172 L CB -0.652 40.565 42.059 -1.404 0.000 0.890 172 L HN 0.546 nan 8.230 nan 0.000 0.433 173 D N -1.526 118.720 120.400 -0.256 0.000 2.084 173 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 173 D C 1.769 178.100 176.300 0.052 0.000 0.990 173 D CA 2.031 55.986 54.000 -0.075 0.000 0.826 173 D CB 0.204 40.991 40.800 -0.021 0.000 0.971 173 D HN 0.486 nan 8.370 nan 0.000 0.453 174 T N -0.257 114.365 114.554 0.114 0.000 2.720 174 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 174 T C 1.774 176.743 174.700 0.448 0.000 1.037 174 T CA 1.230 63.484 62.100 0.258 0.000 1.144 174 T CB -0.738 68.236 68.868 0.177 0.000 0.864 174 T HN 0.307 nan 8.240 nan 0.000 0.444 175 Y N 1.785 122.213 120.300 0.213 0.000 2.128 175 Y HA -0.114 4.436 4.550 -0.000 0.000 0.284 175 Y C 2.074 178.133 175.900 0.266 0.000 1.154 175 Y CA 1.191 59.475 58.100 0.306 0.000 1.149 175 Y CB -0.439 38.159 38.460 0.230 0.000 0.976 175 Y HN 0.099 nan 8.280 nan 0.000 0.505 176 L N -0.225 121.107 121.223 0.181 0.000 2.046 176 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 176 L C 2.047 178.820 176.870 -0.161 0.000 1.077 176 L CA 0.953 55.700 54.840 -0.156 0.000 0.747 176 L CB -1.468 40.391 42.059 -0.333 0.000 0.896 176 L HN 0.612 nan 8.230 nan 0.000 0.432 177 G N 1.054 109.840 108.800 -0.022 0.000 2.594 177 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.297 177 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.297 177 G C 0.458 175.256 174.900 -0.169 0.000 1.273 177 G CA 0.758 45.762 45.100 -0.161 0.000 0.974 177 G HN 0.519 nan 8.290 nan 0.000 0.552 178 E N 0.990 121.043 120.200 -0.244 0.000 2.526 178 E HA 0.455 4.805 4.350 -0.000 0.000 0.198 178 E C 2.244 178.855 176.600 0.018 0.000 1.091 178 E CA 1.553 57.903 56.400 -0.083 0.000 0.880 178 E CB -0.580 29.060 29.700 -0.100 0.000 0.873 178 E HN 1.114 nan 8.360 nan 0.000 0.527 179 A N 1.619 124.448 122.820 0.015 0.000 2.067 179 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 179 A C 1.861 179.483 177.584 0.063 0.000 1.158 179 A CA 1.129 53.234 52.037 0.114 0.000 0.661 179 A CB -0.298 18.652 19.000 -0.083 0.000 0.801 179 A HN 0.156 nan 8.150 nan 0.000 0.452 180 K N -1.322 119.029 120.400 -0.083 0.000 2.074 180 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 180 K C 1.687 178.291 176.600 0.007 0.000 1.048 180 K CA 1.673 57.873 56.287 -0.144 0.000 0.926 180 K CB -0.436 32.021 32.500 -0.072 0.000 0.713 180 K HN 0.529 nan 8.250 nan 0.000 0.444 181 F N 0.862 120.708 119.950 -0.172 0.000 2.115 181 F HA -0.299 4.228 4.527 -0.000 0.000 0.300 181 F C 1.724 177.133 175.800 -0.653 0.000 1.092 181 F CA 1.669 59.436 58.000 -0.388 0.000 1.245 181 F CB -0.262 38.426 39.000 -0.520 0.000 0.995 181 F HN 0.040 nan 8.300 nan 0.000 0.481 182 Y N -1.162 119.077 120.300 -0.101 0.000 2.347 182 Y HA -0.040 4.510 4.550 -0.000 0.000 0.294 182 Y C 2.418 178.249 175.900 -0.115 0.000 1.117 182 Y CA 0.786 58.725 58.100 -0.268 0.000 1.184 182 Y CB -0.585 37.893 38.460 0.029 0.000 1.047 182 Y HN -0.028 nan 8.280 nan 0.000 0.546 183 M N 0.137 119.860 119.600 0.206 0.000 2.106 183 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 183 M C 1.369 177.744 176.300 0.125 0.000 1.068 183 M CA 1.675 57.117 55.300 0.236 0.000 1.100 183 M CB -0.368 32.315 32.600 0.138 0.000 1.351 183 M HN 0.176 nan 8.290 nan 0.000 0.404 184 D N -0.246 120.158 120.400 0.007 0.000 2.190 184 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 184 D C 1.649 177.944 176.300 -0.007 0.000 0.992 184 D CA 1.365 55.338 54.000 -0.045 0.000 0.854 184 D CB -0.645 40.044 40.800 -0.185 0.000 0.936 184 D HN 0.590 nan 8.370 nan 0.000 0.462 185 H N -0.851 118.209 119.070 -0.016 0.000 2.492 185 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 185 H C 2.050 177.468 175.328 0.151 0.000 1.095 185 H CA 0.941 56.996 56.048 0.013 0.000 1.281 185 H CB 0.175 29.977 29.762 0.065 0.000 1.374 185 H HN 0.156 nan 8.280 nan 0.000 0.545 186 M N -0.534 119.240 119.600 0.290 0.000 2.532 186 M HA 0.085 4.565 4.480 -0.000 0.000 0.244 186 M C 0.943 177.325 176.300 0.135 0.000 1.390 186 M CA 0.470 55.945 55.300 0.291 0.000 1.132 186 M CB 0.797 33.556 32.600 0.265 0.000 1.466 186 M HN 0.138 nan 8.290 nan 0.000 0.550 187 L N -0.223 121.048 121.223 0.079 0.000 2.341 187 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 187 L C 0.512 177.383 176.870 0.002 0.000 1.115 187 L CA 0.664 55.530 54.840 0.043 0.000 0.820 187 L CB -0.048 42.052 42.059 0.070 0.000 0.944 187 L HN 0.239 nan 8.230 nan 0.000 0.452 188 D N -0.367 120.026 120.400 -0.013 0.000 2.804 188 D HA 0.114 4.754 4.640 -0.000 0.000 0.308 188 D C 1.178 177.434 176.300 -0.073 0.000 1.371 188 D CA -0.039 53.925 54.000 -0.060 0.000 0.823 188 D CB 0.423 41.169 40.800 -0.089 0.000 1.126 188 D HN 0.018 nan 8.370 nan 0.000 0.467 189 R N -0.664 119.800 120.500 -0.060 0.000 2.313 189 R HA 0.115 4.455 4.340 -0.000 0.000 0.199 189 R C 0.671 176.914 176.300 -0.095 0.000 0.958 189 R CA 0.365 56.400 56.100 -0.108 0.000 1.047 189 R CB 0.577 30.793 30.300 -0.140 0.000 0.955 189 R HN 0.023 nan 8.270 nan 0.000 0.481 190 T N -0.641 113.875 114.554 -0.063 0.000 2.885 190 T HA 0.018 4.368 4.350 -0.000 0.000 0.322 190 T C 0.247 174.918 174.700 -0.048 0.000 1.387 190 T CA -0.829 61.241 62.100 -0.051 0.000 1.041 190 T CB 1.622 70.478 68.868 -0.020 0.000 1.287 190 T HN 0.145 nan 8.240 nan 0.000 0.491 191 E N 1.800 121.972 120.200 -0.046 0.000 2.409 191 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 191 E C 1.631 178.209 176.600 -0.036 0.000 1.024 191 E CA 1.200 57.573 56.400 -0.046 0.000 0.861 191 E CB -0.562 29.112 29.700 -0.043 0.000 0.788 191 E HN 0.632 nan 8.360 nan 0.000 0.521 192 A N 1.342 124.148 122.820 -0.025 0.000 2.123 192 A HA 0.353 4.673 4.320 -0.000 0.000 0.214 192 A C 1.436 179.013 177.584 -0.011 0.000 1.152 192 A CA 1.003 53.031 52.037 -0.014 0.000 0.728 192 A CB -0.622 18.376 19.000 -0.003 0.000 0.814 192 A HN 0.500 nan 8.150 nan 0.000 0.464 193 G N -1.021 107.769 108.800 -0.017 0.000 2.601 193 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.252 193 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.252 193 G C 0.034 174.944 174.900 0.016 0.000 1.294 193 G CA 0.169 45.266 45.100 -0.006 0.000 0.912 193 G HN 1.415 nan 8.290 nan 0.000 0.574 194 T N -0.678 113.909 114.554 0.054 0.000 2.863 194 T HA 0.678 5.028 4.350 -0.000 0.000 0.285 194 T C -0.205 174.518 174.700 0.039 0.000 1.009 194 T CA 0.053 62.170 62.100 0.028 0.000 0.989 194 T CB 2.184 71.075 68.868 0.037 0.000 1.004 194 T HN 1.070 nan 8.240 nan 0.000 0.455 195 E N 1.377 121.523 120.200 -0.091 0.000 2.222 195 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 195 E C -0.880 175.493 176.600 -0.380 0.000 0.963 195 E CA -1.498 54.805 56.400 -0.161 0.000 0.837 195 E CB 1.724 31.385 29.700 -0.065 0.000 1.183 195 E HN 0.738 nan 8.360 nan 0.000 0.403 196 A N 3.100 125.646 122.820 -0.456 0.000 2.301 196 A HA 0.378 4.698 4.320 -0.000 0.000 0.298 196 A C 0.191 177.703 177.584 -0.119 0.000 1.185 196 A CA -0.795 51.069 52.037 -0.289 0.000 0.830 196 A CB 0.044 18.837 19.000 -0.345 0.000 1.112 196 A HN 0.650 nan 8.150 nan 0.000 0.508 197 I N 3.622 124.164 120.570 -0.046 0.000 2.741 197 I HA 0.036 4.206 4.170 -0.000 0.000 0.288 197 I C -1.823 174.293 176.117 -0.001 0.000 1.192 197 I CA -0.978 60.315 61.300 -0.012 0.000 1.426 197 I CB 0.434 38.446 38.000 0.021 0.000 1.367 197 I HN 0.452 nan 8.210 nan 0.000 0.563 198 P HA 0.202 nan 4.420 nan 0.000 0.266 198 P C -0.110 177.193 177.300 0.005 0.000 1.195 198 P CA 0.226 63.313 63.100 -0.021 0.000 0.768 198 P CB 0.640 32.325 31.700 -0.025 0.000 0.838 199 G N 0.700 109.502 108.800 0.003 0.000 3.363 199 G HA2 0.118 4.078 3.960 -0.000 0.000 0.685 199 G HA3 0.118 4.078 3.960 -0.000 0.000 0.685 199 G C -1.328 173.618 174.900 0.077 0.000 1.199 199 G CA -0.919 44.197 45.100 0.026 0.000 0.946 199 G HN 0.412 nan 8.290 nan 0.000 0.558 200 V N 3.287 123.241 119.914 0.066 0.000 2.417 200 V HA 0.618 4.738 4.120 -0.000 0.000 0.291 200 V C 0.567 176.708 176.094 0.078 0.000 1.024 200 V CA -0.670 61.715 62.300 0.142 0.000 0.861 200 V CB 1.787 33.696 31.823 0.143 0.000 0.985 200 V HN 0.899 nan 8.190 nan 0.000 0.436 201 Q N 4.086 123.979 119.800 0.155 0.000 2.274 201 Q HA 0.444 4.784 4.340 -0.000 0.000 0.256 201 Q C -0.917 175.225 176.000 0.237 0.000 0.927 201 Q CA -0.520 55.376 55.803 0.153 0.000 0.939 201 Q CB 1.162 30.001 28.738 0.168 0.000 1.201 201 Q HN 0.655 nan 8.270 nan 0.000 0.426 202 K N 4.377 124.847 120.400 0.118 0.000 2.292 202 K HA 0.498 4.818 4.320 -0.000 0.000 0.257 202 K C -1.350 175.497 176.600 0.411 0.000 0.940 202 K CA -0.507 55.812 56.287 0.054 0.000 0.811 202 K CB 1.337 33.533 32.500 -0.507 0.000 1.120 202 K HN 0.580 nan 8.250 nan 0.000 0.428 203 W N 0.046 121.419 121.300 0.121 0.000 3.118 203 W HA 0.543 5.203 4.660 -0.000 0.000 0.328 203 W C -1.789 174.859 176.519 0.214 0.000 1.239 203 W CA -1.171 56.261 57.345 0.145 0.000 1.176 203 W CB 0.509 30.044 29.460 0.124 0.000 1.433 203 W HN 0.075 nan 8.180 nan 0.000 0.562 204 V N 3.821 123.902 119.914 0.278 0.000 2.407 204 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 204 V C 0.016 176.208 176.094 0.165 0.000 1.037 204 V CA -0.642 61.752 62.300 0.158 0.000 0.900 204 V CB 0.874 32.785 31.823 0.147 0.000 0.983 204 V HN 0.517 nan 8.190 nan 0.000 0.459 205 I N 6.901 127.534 120.570 0.106 0.000 2.411 205 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 205 I C -2.489 173.710 176.117 0.136 0.000 1.012 205 I CA -2.027 59.375 61.300 0.171 0.000 1.119 205 I CB 2.478 40.624 38.000 0.243 0.000 1.261 205 I HN 0.431 nan 8.210 nan 0.000 0.448 206 P HA 0.082 nan 4.420 nan 0.000 0.249 206 P C -0.697 176.660 177.300 0.096 0.000 1.737 206 P CA -0.078 63.071 63.100 0.083 0.000 1.128 206 P CB -0.292 31.441 31.700 0.056 0.000 1.942 207 C N 0.559 119.915 119.300 0.094 0.000 3.311 207 C HA 0.507 4.967 4.460 -0.000 0.000 0.325 207 C C -0.387 174.645 174.990 0.070 0.000 1.352 207 C CA -1.214 57.864 59.018 0.100 0.000 1.308 207 C CB 1.359 29.155 27.740 0.092 0.000 1.619 207 C HN 0.314 nan 8.230 nan 0.000 0.469 208 N N 1.588 120.359 118.700 0.117 0.000 2.492 208 N HA 0.046 4.786 4.740 -0.000 0.000 0.260 208 N C 1.294 176.687 175.510 -0.195 0.000 1.215 208 N CA 0.366 53.396 53.050 -0.034 0.000 0.923 208 N CB 0.714 39.130 38.487 -0.119 0.000 1.092 208 N HN 1.016 nan 8.380 nan 0.000 0.448 209 W N 4.883 126.095 121.300 -0.146 0.000 2.350 209 W HA -0.115 4.545 4.660 -0.000 0.000 0.289 209 W C 0.899 177.180 176.519 -0.397 0.000 1.215 209 W CA 0.363 57.569 57.345 -0.232 0.000 1.236 209 W CB -0.542 28.913 29.460 -0.010 0.000 1.130 209 W HN 0.520 nan 8.180 nan 0.000 0.541 210 K N 0.460 120.147 120.400 -1.189 0.000 2.097 210 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 210 K C 1.943 178.102 176.600 -0.735 0.000 1.049 210 K CA 1.960 57.557 56.287 -1.151 0.000 0.933 210 K CB -0.788 30.953 32.500 -1.264 0.000 0.717 210 K HN 0.117 nan 8.250 nan 0.000 0.442 211 F N 1.223 120.808 119.950 -0.608 0.000 2.095 211 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 211 F C 2.672 177.887 175.800 -0.974 0.000 1.104 211 F CA 1.024 58.575 58.000 -0.748 0.000 1.232 211 F CB -0.433 37.998 39.000 -0.948 0.000 0.987 211 F HN 0.065 nan 8.300 nan 0.000 0.475 212 A N 0.269 122.346 122.820 -1.238 0.000 1.858 212 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 212 A C 2.394 179.385 177.584 -0.988 0.000 1.190 212 A CA 1.868 52.930 52.037 -1.624 0.000 0.617 212 A CB -1.408 16.045 19.000 -2.578 0.000 0.827 212 A HN 0.324 nan 8.150 nan 0.000 0.443 213 A N -0.574 121.745 122.820 -0.834 0.000 1.873 213 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 213 A C 2.094 179.628 177.584 -0.083 0.000 1.193 213 A CA 1.960 53.856 52.037 -0.234 0.000 0.629 213 A CB -0.695 18.308 19.000 0.005 0.000 0.826 213 A HN 0.635 nan 8.150 nan 0.000 0.447 214 E N -0.657 119.412 120.200 -0.218 0.000 2.118 214 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 214 E C 2.243 178.830 176.600 -0.021 0.000 0.992 214 E CA 1.522 57.828 56.400 -0.156 0.000 0.804 214 E CB -0.180 29.424 29.700 -0.159 0.000 0.741 214 E HN 0.783 nan 8.360 nan 0.000 0.458 215 Q N -0.696 119.121 119.800 0.028 0.000 2.084 215 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 215 Q C 1.856 177.897 176.000 0.070 0.000 0.978 215 Q CA 1.371 57.223 55.803 0.081 0.000 0.844 215 Q CB -0.090 28.783 28.738 0.225 0.000 0.898 215 Q HN 0.251 nan 8.270 nan 0.000 0.426 216 F N -0.576 119.396 119.950 0.037 0.000 2.456 216 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 216 F C 2.430 178.275 175.800 0.075 0.000 1.104 216 F CA 0.376 58.432 58.000 0.094 0.000 1.435 216 F CB -0.592 38.584 39.000 0.295 0.000 1.078 216 F HN 0.295 nan 8.300 nan 0.000 0.546 217 C N -0.695 118.719 119.300 0.190 0.000 2.476 217 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 217 C C 2.514 177.596 174.990 0.153 0.000 1.274 217 C CA 1.723 60.828 59.018 0.145 0.000 1.713 217 C CB -0.957 26.812 27.740 0.047 0.000 2.039 217 C HN 0.495 nan 8.230 nan 0.000 0.484 218 S N -2.109 113.606 115.700 0.024 0.000 2.800 218 S HA 0.139 4.609 4.470 -0.000 0.000 0.266 218 S C -0.201 174.393 174.600 -0.011 0.000 1.029 218 S CA 0.093 58.349 58.200 0.094 0.000 1.302 218 S CB -0.447 62.783 63.200 0.049 0.000 1.212 218 S HN 0.518 nan 8.310 nan 0.000 0.683 219 D N 1.823 122.096 120.400 -0.212 0.000 3.110 219 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 219 D C 0.881 177.256 176.300 0.124 0.000 1.283 219 D CA -0.267 53.741 54.000 0.012 0.000 0.944 219 D CB 0.468 41.280 40.800 0.021 0.000 1.066 219 D HN 0.366 nan 8.370 nan 0.000 0.496 220 M N 1.177 120.877 119.600 0.166 0.000 2.159 220 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 220 M C 1.416 177.990 176.300 0.457 0.000 1.063 220 M CA 1.255 56.734 55.300 0.298 0.000 1.110 220 M CB -0.465 32.276 32.600 0.235 0.000 1.374 220 M HN 0.279 nan 8.290 nan 0.000 0.411 221 Y N 1.090 121.613 120.300 0.373 0.000 2.073 221 Y HA -0.429 4.121 4.550 -0.000 0.000 0.270 221 Y C 2.694 178.657 175.900 0.105 0.000 1.226 221 Y CA 2.742 60.950 58.100 0.180 0.000 1.117 221 Y CB -1.115 37.416 38.460 0.117 0.000 0.939 221 Y HN 0.648 nan 8.280 nan 0.000 0.504 222 H N -1.045 118.094 119.070 0.114 0.000 2.389 222 H HA -0.032 4.523 4.556 -0.000 0.000 0.299 222 H C 2.064 177.436 175.328 0.074 0.000 1.081 222 H CA 1.524 57.574 56.048 0.003 0.000 1.345 222 H CB -0.900 28.895 29.762 0.055 0.000 1.393 222 H HN 0.391 nan 8.280 nan 0.000 0.520 223 A N 1.224 123.748 122.820 -0.494 0.000 1.898 223 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 223 A C 2.680 180.286 177.584 0.036 0.000 1.181 223 A CA 1.245 53.165 52.037 -0.196 0.000 0.620 223 A CB -1.148 17.817 19.000 -0.059 0.000 0.819 223 A HN 0.588 nan 8.150 nan 0.000 0.442 224 G N -1.265 107.602 108.800 0.111 0.000 3.124 224 G HA2 0.276 4.236 3.960 -0.000 0.000 0.212 224 G HA3 0.276 4.236 3.960 -0.000 0.000 0.212 224 G C 0.897 175.725 174.900 -0.119 0.000 1.181 224 G CA 1.488 46.669 45.100 0.136 0.000 0.803 224 G HN 0.708 nan 8.290 nan 0.000 0.529 225 T N -3.602 110.827 114.554 -0.208 0.000 1.812 225 T HA 0.192 4.542 4.350 -0.000 0.000 0.173 225 T C 1.941 176.524 174.700 -0.195 0.000 0.710 225 T CA 1.236 63.167 62.100 -0.282 0.000 1.065 225 T CB 0.360 68.923 68.868 -0.507 0.000 3.214 225 T HN 0.072 nan 8.240 nan 0.000 0.403 226 T N -1.442 112.984 114.554 -0.213 0.000 2.990 226 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 226 T C 2.194 176.777 174.700 -0.195 0.000 1.041 226 T CA 0.911 62.906 62.100 -0.175 0.000 1.010 226 T CB -0.389 68.381 68.868 -0.164 0.000 1.003 226 T HN 0.322 nan 8.240 nan 0.000 0.499 227 S N 0.854 116.419 115.700 -0.225 0.000 2.387 227 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 227 S C 1.071 175.332 174.600 -0.565 0.000 1.035 227 S CA 1.015 59.001 58.200 -0.357 0.000 1.014 227 S CB -0.367 62.673 63.200 -0.267 0.000 0.836 227 S HN 0.691 nan 8.310 nan 0.000 0.466 228 H N -0.423 118.539 119.070 -0.180 0.000 2.665 228 H HA 0.316 4.872 4.556 -0.000 0.000 0.248 228 H C 1.146 176.286 175.328 -0.313 0.000 1.175 228 H CA -0.215 55.650 56.048 -0.304 0.000 0.952 228 H CB -0.096 29.504 29.762 -0.270 0.000 1.883 228 H HN 0.286 nan 8.280 nan 0.000 0.623 229 L N 0.725 121.860 121.223 -0.147 0.000 2.079 229 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 229 L C 2.426 179.205 176.870 -0.151 0.000 1.081 229 L CA 1.956 56.722 54.840 -0.124 0.000 0.752 229 L CB -0.164 41.829 42.059 -0.110 0.000 0.896 229 L HN 0.262 nan 8.230 nan 0.000 0.433 230 S N -1.069 114.516 115.700 -0.192 0.000 2.425 230 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 230 S C 2.050 176.499 174.600 -0.252 0.000 1.024 230 S CA 0.517 58.607 58.200 -0.183 0.000 0.951 230 S CB -0.587 62.516 63.200 -0.162 0.000 0.796 230 S HN 0.390 nan 8.310 nan 0.000 0.498 231 G N 2.087 110.612 108.800 -0.459 0.000 2.408 231 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 231 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 231 G C 1.362 175.975 174.900 -0.479 0.000 1.150 231 G CA 0.847 45.486 45.100 -0.770 0.000 0.776 231 G HN 0.540 nan 8.290 nan 0.000 0.542 232 I N -0.162 120.218 120.570 -0.317 0.000 2.179 232 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 232 I C 2.560 178.679 176.117 0.003 0.000 1.088 232 I CA 0.516 61.829 61.300 0.023 0.000 1.357 232 I CB -0.156 37.875 38.000 0.051 0.000 1.051 232 I HN 0.095 nan 8.210 nan 0.000 0.409 233 L N 0.629 121.820 121.223 -0.054 0.000 2.191 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 233 L C 2.512 179.366 176.870 -0.027 0.000 1.103 233 L CA 1.684 56.502 54.840 -0.038 0.000 0.769 233 L CB -0.564 41.461 42.059 -0.058 0.000 0.908 233 L HN 0.208 nan 8.230 nan 0.000 0.438 234 A N -1.062 121.735 122.820 -0.038 0.000 1.969 234 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 234 A C 2.190 179.784 177.584 0.016 0.000 1.169 234 A CA 1.309 53.334 52.037 -0.019 0.000 0.635 234 A CB -1.021 17.959 19.000 -0.034 0.000 0.810 234 A HN 0.436 nan 8.150 nan 0.000 0.445 235 G N -1.088 107.741 108.800 0.049 0.000 2.985 235 G HA2 0.366 4.326 3.960 -0.000 0.000 0.209 235 G HA3 0.366 4.326 3.960 -0.000 0.000 0.209 235 G C 0.439 175.361 174.900 0.037 0.000 1.165 235 G CA -0.219 44.917 45.100 0.060 0.000 0.776 235 G HN 0.362 nan 8.290 nan 0.000 0.541 236 L N 1.530 122.768 121.223 0.024 0.000 2.343 236 L HA 0.362 4.702 4.340 -0.000 0.000 0.275 236 L C -1.591 175.283 176.870 0.007 0.000 1.056 236 L CA -1.941 52.909 54.840 0.015 0.000 0.804 236 L CB 1.372 43.438 42.059 0.011 0.000 1.203 236 L HN -0.023 nan 8.230 nan 0.000 0.440 237 P HA 0.125 nan 4.420 nan 0.000 0.273 237 P C -0.502 176.797 177.300 -0.002 0.000 1.250 237 P CA -0.471 62.630 63.100 0.002 0.000 0.793 237 P CB 0.558 32.260 31.700 0.003 0.000 1.011 242 M N 0.093 119.685 119.600 -0.013 0.000 2.508 242 M HA 0.636 5.116 4.480 -0.000 0.000 0.275 242 M C -0.264 176.024 176.300 -0.020 0.000 1.251 242 M CA -0.859 54.430 55.300 -0.018 0.000 1.433 242 M CB 0.295 32.884 32.600 -0.019 0.000 1.688 242 M HN 0.590 nan 8.290 nan 0.000 0.777 243 A N 2.934 125.740 122.820 -0.024 0.000 3.046 243 A HA 0.146 4.466 4.320 -0.000 0.000 0.259 243 A C -0.209 177.362 177.584 -0.022 0.000 1.843 243 A CA 0.460 52.481 52.037 -0.027 0.000 1.451 243 A CB -1.516 17.465 19.000 -0.032 0.000 1.025 243 A HN 0.610 nan 8.150 nan 0.000 0.625 244 D N 0.362 120.751 120.400 -0.017 0.000 3.007 244 D HA 0.144 4.784 4.640 -0.000 0.000 0.363 244 D C -0.430 175.863 176.300 -0.011 0.000 1.474 244 D CA -0.401 53.590 54.000 -0.014 0.000 0.767 244 D CB -0.916 39.878 40.800 -0.011 0.000 1.227 244 D HN 0.323 nan 8.370 nan 0.000 0.471 245 L N -0.741 120.475 121.223 -0.011 0.000 2.319 245 L HA 0.790 5.130 4.340 -0.000 0.000 0.280 245 L C 0.309 177.175 176.870 -0.007 0.000 1.099 245 L CA -0.891 53.945 54.840 -0.006 0.000 0.828 245 L CB 1.105 43.162 42.059 -0.003 0.000 1.150 245 L HN 0.067 nan 8.230 nan 0.000 0.442 246 A N 5.086 127.902 122.820 -0.007 0.000 2.395 246 A HA 0.613 4.933 4.320 -0.000 0.000 0.286 246 A C -2.123 175.447 177.584 -0.023 0.000 1.193 246 A CA -1.069 50.960 52.037 -0.013 0.000 0.852 246 A CB -0.754 18.238 19.000 -0.015 0.000 1.118 246 A HN 0.702 nan 8.150 nan 0.000 0.524 247 P HA 0.426 nan 4.420 nan 0.000 0.292 247 P C -2.838 174.406 177.300 -0.094 0.000 1.287 247 P CA -1.807 61.280 63.100 -0.021 0.000 0.800 247 P CB 0.595 32.318 31.700 0.040 0.000 0.945 248 P HA 0.065 nan 4.420 nan 0.000 0.266 248 P C 0.705 177.819 177.300 -0.309 0.000 1.195 248 P CA 0.278 63.073 63.100 -0.508 0.000 0.768 248 P CB 0.192 31.142 31.700 -1.250 0.000 0.838 249 T N -2.099 112.385 114.554 -0.116 0.000 2.958 249 T HA 0.153 4.503 4.350 -0.000 0.000 0.256 249 T C 0.468 175.179 174.700 0.019 0.000 0.983 249 T CA -0.050 62.075 62.100 0.041 0.000 0.924 249 T CB -0.045 68.884 68.868 0.101 0.000 1.136 249 T HN 0.083 nan 8.240 nan 0.000 0.506 250 V N 2.001 121.919 119.914 0.007 0.000 2.432 250 V HA 0.778 4.898 4.120 -0.000 0.000 0.275 250 V C 0.750 176.906 176.094 0.103 0.000 1.043 250 V CA 0.149 62.473 62.300 0.040 0.000 0.925 250 V CB 0.562 32.410 31.823 0.042 0.000 0.985 250 V HN 0.771 nan 8.190 nan 0.000 0.466 251 G N 4.607 113.425 108.800 0.030 0.000 2.428 251 G HA2 0.551 4.511 3.960 -0.000 0.000 0.304 251 G HA3 0.551 4.511 3.960 -0.000 0.000 0.304 251 G C -1.682 173.081 174.900 -0.228 0.000 1.303 251 G CA -0.747 44.332 45.100 -0.035 0.000 0.825 251 G HN 0.481 nan 8.290 nan 0.000 0.484 252 K N -0.574 119.504 120.400 -0.537 0.000 2.480 252 K HA 0.617 4.937 4.320 -0.000 0.000 0.258 252 K C -1.203 174.933 176.600 -0.774 0.000 0.990 252 K CA -0.746 55.167 56.287 -0.623 0.000 0.857 252 K CB 2.865 34.944 32.500 -0.703 0.000 1.384 252 K HN 0.613 nan 8.250 nan 0.000 0.446 253 Q N 1.536 121.055 119.800 -0.469 0.000 2.359 253 Q HA 0.307 4.647 4.340 -0.000 0.000 0.274 253 Q C -1.992 173.901 176.000 -0.179 0.000 1.074 253 Q CA -0.831 54.762 55.803 -0.349 0.000 0.810 253 Q CB 1.927 30.539 28.738 -0.210 0.000 1.342 253 Q HN 0.696 nan 8.270 nan 0.000 0.427 254 Y N 3.223 123.342 120.300 -0.301 0.000 2.352 254 Y HA 0.562 5.112 4.550 -0.000 0.000 0.339 254 Y C -1.369 174.389 175.900 -0.237 0.000 0.992 254 Y CA -0.899 57.024 58.100 -0.295 0.000 1.100 254 Y CB 1.341 39.429 38.460 -0.620 0.000 1.192 254 Y HN 0.659 nan 8.280 nan 0.000 0.458 255 R N 5.529 125.676 120.500 -0.588 0.000 2.393 255 R HA 0.726 5.066 4.340 -0.000 0.000 0.315 255 R C -0.887 174.930 176.300 -0.805 0.000 0.952 255 R CA -0.617 55.069 56.100 -0.689 0.000 0.842 255 R CB 1.135 31.256 30.300 -0.298 0.000 1.163 255 R HN 0.918 nan 8.270 nan 0.000 0.450 256 A N 2.772 125.012 122.820 -0.968 0.000 2.507 256 A HA 0.077 4.397 4.320 -0.000 0.000 0.235 256 A C 0.872 178.278 177.584 -0.297 0.000 1.070 256 A CA 0.142 51.878 52.037 -0.502 0.000 0.768 256 A CB 0.383 19.161 19.000 -0.371 0.000 1.011 256 A HN 0.972 nan 8.150 nan 0.000 0.502 257 S N -0.169 115.382 115.700 -0.249 0.000 2.406 257 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 257 S C 0.168 174.784 174.600 0.027 0.000 1.020 257 S CA 1.398 59.542 58.200 -0.093 0.000 0.965 257 S CB -0.353 62.837 63.200 -0.018 0.000 0.798 257 S HN 0.954 nan 8.310 nan 0.000 0.488 258 W N -1.758 119.464 121.300 -0.131 0.000 3.107 258 W HA 0.685 5.345 4.660 -0.000 0.000 0.331 258 W C 0.508 176.740 176.519 -0.477 0.000 1.204 258 W CA -0.636 56.569 57.345 -0.234 0.000 1.184 258 W CB 0.586 29.954 29.460 -0.153 0.000 1.421 258 W HN 0.254 nan 8.180 nan 0.000 0.544 259 G N 0.153 108.586 108.800 -0.612 0.000 2.195 259 G HA2 0.206 4.166 3.960 -0.000 0.000 0.246 259 G HA3 0.206 4.166 3.960 -0.000 0.000 0.246 259 G C 1.194 175.060 174.900 -1.724 0.000 0.984 259 G CA 0.893 45.124 45.100 -1.447 0.000 0.633 259 G HN 2.594 nan 8.290 nan 0.000 0.525 260 G N -0.648 107.513 108.800 -1.065 0.000 2.143 260 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.249 260 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.249 260 G C 0.276 174.916 174.900 -0.433 0.000 0.981 260 G CA 0.897 45.600 45.100 -0.662 0.000 0.665 260 G HN 1.446 nan 8.290 nan 0.000 0.528 261 H N 0.332 119.270 119.070 -0.220 0.000 2.603 261 H HA 0.628 5.183 4.556 -0.000 0.000 0.370 261 H C 0.798 175.940 175.328 -0.311 0.000 1.225 261 H CA 0.490 56.458 56.048 -0.133 0.000 1.410 261 H CB 1.336 31.049 29.762 -0.081 0.000 1.495 261 H HN 0.847 nan 8.280 nan 0.000 0.602 262 G N -0.973 107.777 108.800 -0.084 0.000 2.673 262 G HA2 0.418 4.378 3.960 -0.000 0.000 0.292 262 G HA3 0.418 4.378 3.960 -0.000 0.000 0.292 262 G C -1.374 173.512 174.900 -0.024 0.000 1.450 262 G CA -0.435 44.509 45.100 -0.260 0.000 0.837 262 G HN 0.641 nan 8.290 nan 0.000 0.505 263 S N -1.382 114.302 115.700 -0.027 0.000 2.537 263 S HA 0.866 5.335 4.470 -0.000 0.000 0.270 263 S C -0.275 174.216 174.600 -0.181 0.000 1.142 263 S CA 0.200 58.397 58.200 -0.003 0.000 0.870 263 S CB 1.650 64.929 63.200 0.132 0.000 1.112 263 S HN 1.882 nan 8.310 nan 0.000 0.466 264 G N 1.741 110.162 108.800 -0.632 0.000 2.619 264 G HA2 0.852 4.812 3.960 -0.000 0.000 0.296 264 G HA3 0.852 4.812 3.960 -0.000 0.000 0.296 264 G C -1.555 173.001 174.900 -0.575 0.000 1.334 264 G CA -0.757 43.924 45.100 -0.698 0.000 0.934 264 G HN 1.004 nan 8.290 nan 0.000 0.476 265 F N -1.680 118.061 119.950 -0.347 0.000 2.703 265 F HA 0.601 5.128 4.527 -0.000 0.000 0.308 265 F C -1.368 174.306 175.800 -0.209 0.000 1.126 265 F CA -2.013 55.836 58.000 -0.251 0.000 0.959 265 F CB 0.938 39.910 39.000 -0.046 0.000 1.297 265 F HN 0.498 nan 8.300 nan 0.000 0.441 266 Y N 0.894 121.299 120.300 0.175 0.000 2.301 266 Y HA 0.639 5.189 4.550 -0.000 0.000 0.325 266 Y C -0.058 175.964 175.900 0.204 0.000 1.203 266 Y CA -1.149 57.015 58.100 0.107 0.000 1.255 266 Y CB 1.787 40.295 38.460 0.081 0.000 1.232 266 Y HN 0.444 nan 8.280 nan 0.000 0.501 267 V N 1.888 122.004 119.914 0.336 0.000 2.495 267 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 267 V C 0.614 176.804 176.094 0.160 0.000 1.031 267 V CA 0.120 62.569 62.300 0.249 0.000 0.871 267 V CB 0.822 32.783 31.823 0.231 0.000 0.988 267 V HN 1.110 nan 8.190 nan 0.000 0.432 268 G N 3.838 112.719 108.800 0.135 0.000 2.435 268 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.245 268 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.245 268 G C 0.335 175.274 174.900 0.065 0.000 1.073 268 G CA 0.457 45.609 45.100 0.087 0.000 0.638 268 G HN 0.719 nan 8.290 nan 0.000 0.521 269 D N 2.151 122.580 120.400 0.049 0.000 2.393 269 D HA 0.439 5.079 4.640 -0.000 0.000 0.232 269 D C -0.972 175.336 176.300 0.013 0.000 1.192 269 D CA -1.647 52.350 54.000 -0.005 0.000 0.882 269 D CB 1.320 42.063 40.800 -0.095 0.000 1.038 269 D HN 0.249 nan 8.370 nan 0.000 0.499 270 P HA 0.028 nan 4.420 nan 0.000 0.249 270 P C 0.748 178.067 177.300 0.031 0.000 1.241 270 P CA -0.044 63.086 63.100 0.050 0.000 0.781 270 P CB 0.552 32.284 31.700 0.055 0.000 1.088 271 N N 0.246 118.947 118.700 0.002 0.000 2.106 271 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 271 N C 1.605 177.129 175.510 0.024 0.000 1.029 271 N CA 0.828 53.879 53.050 0.001 0.000 0.848 271 N CB -0.875 37.598 38.487 -0.023 0.000 1.007 271 N HN 0.125 nan 8.380 nan 0.000 0.423 272 L N 0.828 122.069 121.223 0.030 0.000 2.056 272 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 272 L C 2.301 179.217 176.870 0.077 0.000 1.078 272 L CA 1.287 56.183 54.840 0.093 0.000 0.749 272 L CB -0.538 41.630 42.059 0.182 0.000 0.901 272 L HN 0.145 nan 8.230 nan 0.000 0.433 273 M N -1.482 118.154 119.600 0.061 0.000 2.149 273 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 273 M C 2.055 178.351 176.300 -0.007 0.000 1.064 273 M CA 1.797 57.100 55.300 0.005 0.000 1.102 273 M CB -0.139 32.466 32.600 0.007 0.000 1.369 273 M HN 0.322 nan 8.290 nan 0.000 0.408 274 L N -0.263 120.971 121.223 0.018 0.000 2.046 274 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 274 L C 2.693 179.576 176.870 0.021 0.000 1.077 274 L CA 1.256 56.104 54.840 0.014 0.000 0.747 274 L CB -0.847 41.225 42.059 0.021 0.000 0.896 274 L HN 0.414 nan 8.230 nan 0.000 0.432 275 A N -0.085 122.764 122.820 0.048 0.000 1.933 275 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 275 A C 2.154 179.799 177.584 0.101 0.000 1.175 275 A CA 1.567 53.657 52.037 0.087 0.000 0.628 275 A CB -0.515 18.566 19.000 0.134 0.000 0.814 275 A HN 0.387 nan 8.150 nan 0.000 0.444 276 I N -1.562 119.031 120.570 0.037 0.000 2.364 276 I HA -0.098 4.072 4.170 -0.000 0.000 0.241 276 I C 2.218 178.297 176.117 -0.064 0.000 1.082 276 I CA 0.842 62.108 61.300 -0.056 0.000 1.401 276 I CB -0.216 37.666 38.000 -0.197 0.000 1.126 276 I HN 0.184 nan 8.210 nan 0.000 0.429 277 M N 0.521 120.060 119.600 -0.101 0.000 2.510 277 M HA 0.269 4.749 4.480 -0.000 0.000 0.256 277 M C 0.986 177.208 176.300 -0.129 0.000 1.132 277 M CA 0.429 55.632 55.300 -0.161 0.000 1.105 277 M CB -0.872 31.568 32.600 -0.267 0.000 1.375 277 M HN 0.362 nan 8.290 nan 0.000 0.477 278 G N 1.466 110.226 108.800 -0.067 0.000 2.795 278 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.664 278 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.664 278 G C -2.227 172.652 174.900 -0.035 0.000 1.381 278 G CA -0.396 44.678 45.100 -0.043 0.000 0.853 278 G HN 0.134 nan 8.290 nan 0.000 0.545 279 P HA -0.047 nan 4.420 nan 0.000 0.218 279 P C 1.605 178.914 177.300 0.014 0.000 1.152 279 P CA 1.625 64.728 63.100 0.006 0.000 0.826 279 P CB 0.058 31.764 31.700 0.011 0.000 0.790 280 K N 0.198 120.597 120.400 -0.001 0.000 2.020 280 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 280 K C 2.030 178.645 176.600 0.025 0.000 1.050 280 K CA 1.679 57.973 56.287 0.012 0.000 0.929 280 K CB -0.520 31.974 32.500 -0.010 0.000 0.714 280 K HN -0.114 nan 8.250 nan 0.000 0.443 281 V N 0.718 120.592 119.914 -0.067 0.000 2.270 281 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 281 V C 2.195 178.339 176.094 0.084 0.000 1.043 281 V CA 2.271 64.500 62.300 -0.119 0.000 1.014 281 V CB -0.617 30.898 31.823 -0.514 0.000 0.645 281 V HN 0.486 nan 8.190 nan 0.000 0.447 282 T N -0.514 114.061 114.554 0.035 0.000 2.685 282 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 282 T C 2.109 176.921 174.700 0.186 0.000 1.034 282 T CA 2.025 64.193 62.100 0.114 0.000 1.149 282 T CB -0.365 68.536 68.868 0.056 0.000 0.860 282 T HN 0.486 nan 8.240 nan 0.000 0.449 283 S N 0.129 115.915 115.700 0.144 0.000 2.354 283 S HA -0.183 4.287 4.470 -0.000 0.000 0.219 283 S C 1.829 176.540 174.600 0.185 0.000 1.035 283 S CA 1.558 59.840 58.200 0.136 0.000 1.037 283 S CB -0.781 62.481 63.200 0.104 0.000 0.956 283 S HN 0.603 nan 8.310 nan 0.000 0.428 284 Y N 0.407 120.779 120.300 0.121 0.000 2.219 284 Y HA -0.219 4.331 4.550 -0.000 0.000 0.283 284 Y C 2.110 178.135 175.900 0.208 0.000 1.191 284 Y CA 2.309 60.504 58.100 0.157 0.000 1.199 284 Y CB -0.397 38.183 38.460 0.200 0.000 0.972 284 Y HN 0.579 nan 8.280 nan 0.000 0.527 285 W N 0.489 121.852 121.300 0.106 0.000 2.640 285 W HA -0.058 4.602 4.660 -0.000 0.000 0.268 285 W C 1.560 178.059 176.519 -0.033 0.000 1.263 285 W CA 1.847 59.232 57.345 0.066 0.000 1.344 285 W CB 0.052 29.614 29.460 0.170 0.000 1.093 285 W HN 0.293 nan 8.180 nan 0.000 0.603 286 T N -2.992 111.605 114.554 0.071 0.000 2.955 286 T HA 0.100 4.450 4.350 -0.000 0.000 0.251 286 T C 0.275 174.947 174.700 -0.047 0.000 1.002 286 T CA -0.018 62.083 62.100 0.002 0.000 0.970 286 T CB 0.620 69.551 68.868 0.106 0.000 1.091 286 T HN 0.219 nan 8.240 nan 0.000 0.495 287 E N 0.183 120.357 120.200 -0.042 0.000 2.390 287 E HA 0.552 4.902 4.350 -0.000 0.000 0.277 287 E C -0.074 176.490 176.600 -0.059 0.000 0.939 287 E CA -0.791 55.582 56.400 -0.045 0.000 0.769 287 E CB 1.551 31.247 29.700 -0.007 0.000 1.251 287 E HN 0.540 nan 8.360 nan 0.000 0.450 288 G N 1.913 110.677 108.800 -0.061 0.000 2.631 288 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.504 288 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.504 288 G C -2.279 172.566 174.900 -0.092 0.000 1.306 288 G CA -0.333 44.733 45.100 -0.057 0.000 0.897 288 G HN 0.482 nan 8.290 nan 0.000 0.520 289 P HA -0.045 nan 4.420 nan 0.000 0.214 289 P C 2.328 179.550 177.300 -0.130 0.000 1.163 289 P CA 3.251 66.305 63.100 -0.077 0.000 0.889 289 P CB -0.173 31.505 31.700 -0.038 0.000 0.790 290 A N -0.800 121.909 122.820 -0.184 0.000 1.933 290 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 290 A C 2.551 179.907 177.584 -0.381 0.000 1.175 290 A CA 2.222 54.082 52.037 -0.295 0.000 0.628 290 A CB -1.671 17.044 19.000 -0.475 0.000 0.814 290 A HN 0.215 nan 8.150 nan 0.000 0.444 291 S N -0.675 114.785 115.700 -0.401 0.000 2.368 291 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 291 S C 1.908 176.347 174.600 -0.267 0.000 1.030 291 S CA 1.782 59.760 58.200 -0.369 0.000 0.999 291 S CB -0.312 62.714 63.200 -0.291 0.000 0.844 291 S HN 0.654 nan 8.310 nan 0.000 0.459 292 E N 0.786 120.870 120.200 -0.195 0.000 2.058 292 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 292 E C 2.188 178.698 176.600 -0.150 0.000 0.997 292 E CA 1.195 57.506 56.400 -0.148 0.000 0.801 292 E CB -0.136 29.499 29.700 -0.108 0.000 0.746 292 E HN 0.407 nan 8.360 nan 0.000 0.450 293 K N 0.180 120.489 120.400 -0.150 0.000 2.152 293 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 293 K C 1.996 178.503 176.600 -0.155 0.000 1.048 293 K CA 1.131 57.338 56.287 -0.132 0.000 0.933 293 K CB -0.071 32.361 32.500 -0.113 0.000 0.721 293 K HN 0.119 nan 8.250 nan 0.000 0.447 294 A N 0.953 123.648 122.820 -0.208 0.000 1.873 294 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 294 A C 2.317 179.769 177.584 -0.219 0.000 1.186 294 A CA 1.663 53.556 52.037 -0.240 0.000 0.616 294 A CB -0.762 18.024 19.000 -0.356 0.000 0.823 294 A HN 0.423 nan 8.150 nan 0.000 0.442 295 A N -0.286 122.405 122.820 -0.214 0.000 1.892 295 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 295 A C 2.032 179.528 177.584 -0.148 0.000 1.188 295 A CA 2.019 53.948 52.037 -0.181 0.000 0.631 295 A CB -0.674 18.232 19.000 -0.158 0.000 0.822 295 A HN 0.676 nan 8.150 nan 0.000 0.447 296 E N -0.516 119.606 120.200 -0.130 0.000 2.023 296 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 296 E C 2.364 178.896 176.600 -0.113 0.000 1.003 296 E CA 1.408 57.743 56.400 -0.108 0.000 0.809 296 E CB -0.137 29.506 29.700 -0.094 0.000 0.755 296 E HN 0.584 nan 8.360 nan 0.000 0.449 297 R N 0.001 120.428 120.500 -0.122 0.000 2.091 297 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 297 R C 2.527 178.739 176.300 -0.146 0.000 1.136 297 R CA 1.223 57.249 56.100 -0.123 0.000 0.959 297 R CB -0.299 29.927 30.300 -0.124 0.000 0.856 297 R HN 0.299 nan 8.270 nan 0.000 0.437 298 L N -0.525 120.594 121.223 -0.173 0.000 2.465 298 L HA 0.041 4.381 4.340 -0.000 0.000 0.224 298 L C 1.259 178.001 176.870 -0.214 0.000 1.145 298 L CA 0.757 55.466 54.840 -0.218 0.000 0.834 298 L CB -0.139 41.785 42.059 -0.223 0.000 0.944 298 L HN 0.574 nan 8.230 nan 0.000 0.451 299 G N 0.010 108.715 108.800 -0.159 0.000 2.157 299 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 299 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 299 G C 0.241 175.072 174.900 -0.116 0.000 0.979 299 G CA 0.330 45.355 45.100 -0.124 0.000 0.650 299 G HN 0.426 nan 8.290 nan 0.000 0.529 300 S N -1.756 113.865 115.700 -0.133 0.000 2.543 300 S HA 0.527 4.997 4.470 -0.000 0.000 0.273 300 S C 0.999 175.527 174.600 -0.120 0.000 1.152 300 S CA 0.355 58.483 58.200 -0.119 0.000 0.910 300 S CB 1.672 64.791 63.200 -0.134 0.000 1.105 300 S HN 0.830 nan 8.310 nan 0.000 0.465 301 V N 4.179 124.039 119.914 -0.090 0.000 2.515 301 V HA -0.051 4.069 4.120 -0.000 0.000 0.250 301 V C 2.485 178.528 176.094 -0.085 0.000 1.058 301 V CA 2.202 64.450 62.300 -0.087 0.000 1.064 301 V CB -0.719 31.068 31.823 -0.060 0.000 0.675 301 V HN 0.960 nan 8.190 nan 0.000 0.461 302 E N 0.471 120.635 120.200 -0.060 0.000 2.006 302 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 302 E C 2.515 179.066 176.600 -0.080 0.000 0.993 302 E CA 1.180 57.568 56.400 -0.021 0.000 0.808 302 E CB -0.075 29.658 29.700 0.055 0.000 0.764 302 E HN 0.468 nan 8.360 nan 0.000 0.449 303 R N -0.526 119.893 120.500 -0.135 0.000 2.140 303 R HA -0.188 4.152 4.340 -0.000 0.000 0.250 303 R C 2.378 178.462 176.300 -0.360 0.000 1.150 303 R CA 1.433 57.352 56.100 -0.302 0.000 0.966 303 R CB -0.503 29.625 30.300 -0.287 0.000 0.869 303 R HN 0.291 nan 8.270 nan 0.000 0.445 304 G N -1.425 107.207 108.800 -0.280 0.000 2.453 304 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 304 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 304 G C 1.115 175.790 174.900 -0.374 0.000 1.147 304 G CA 0.501 45.399 45.100 -0.336 0.000 0.802 304 G HN 0.259 nan 8.290 nan 0.000 0.535 305 S N -0.818 114.739 115.700 -0.239 0.000 2.679 305 S HA 0.215 4.685 4.470 -0.000 0.000 0.258 305 S C 1.526 176.088 174.600 -0.063 0.000 1.068 305 S CA -0.288 57.804 58.200 -0.181 0.000 1.115 305 S CB 0.559 63.675 63.200 -0.139 0.000 1.078 305 S HN 0.095 nan 8.310 nan 0.000 0.603 306 K N 1.156 121.535 120.400 -0.035 0.000 2.360 306 K HA 0.354 4.674 4.320 -0.000 0.000 0.196 306 K C 0.122 176.789 176.600 0.112 0.000 1.049 306 K CA 0.105 56.420 56.287 0.047 0.000 1.049 306 K CB 0.331 32.863 32.500 0.053 0.000 0.881 306 K HN 0.325 nan 8.250 nan 0.000 0.542 307 L N 1.889 123.166 121.223 0.090 0.000 2.319 307 L HA 0.250 4.590 4.340 -0.000 0.000 0.280 307 L C 1.422 178.480 176.870 0.313 0.000 1.099 307 L CA -0.030 54.904 54.840 0.157 0.000 0.828 307 L CB 0.721 42.737 42.059 -0.072 0.000 1.150 307 L HN -0.059 nan 8.230 nan 0.000 0.442 308 M N 2.518 122.300 119.600 0.303 0.000 2.925 308 M HA 0.024 4.504 4.480 -0.000 0.000 0.249 308 M C 1.511 177.920 176.300 0.181 0.000 1.439 308 M CA 0.737 56.195 55.300 0.263 0.000 1.217 308 M CB 0.140 32.881 32.600 0.235 0.000 1.245 308 M HN 0.637 nan 8.290 nan 0.000 0.552 309 V N -1.284 118.764 119.914 0.223 0.000 3.064 309 V HA 0.350 4.470 4.120 -0.000 0.000 0.215 309 V C 0.231 176.377 176.094 0.087 0.000 1.167 309 V CA 0.177 62.525 62.300 0.080 0.000 1.286 309 V CB -0.308 31.538 31.823 0.038 0.000 1.103 309 V HN 0.620 nan 8.190 nan 0.000 0.510 310 E N 0.788 121.029 120.200 0.068 0.000 7.527 310 E HA -0.129 4.221 4.350 -0.000 0.000 0.353 310 E C -0.772 175.847 176.600 0.033 0.000 0.656 310 E CA 0.551 57.006 56.400 0.091 0.000 1.244 310 E CB -0.982 28.869 29.700 0.252 0.000 0.931 310 E HN 1.083 nan 8.360 nan 0.000 0.262 311 H N 3.514 122.605 119.070 0.035 0.000 2.797 311 H HA 0.880 5.436 4.556 -0.000 0.000 0.372 311 H C -0.378 174.937 175.328 -0.022 0.000 1.168 311 H CA -1.049 54.966 56.048 -0.054 0.000 1.163 311 H CB 1.958 31.629 29.762 -0.153 0.000 1.778 311 H HN 0.537 nan 8.280 nan 0.000 0.551 312 M N 1.644 121.282 119.600 0.063 0.000 2.426 312 M HA 0.280 4.760 4.480 -0.000 0.000 0.289 312 M C -2.046 174.165 176.300 -0.149 0.000 1.168 312 M CA -0.160 55.084 55.300 -0.093 0.000 0.933 312 M CB 2.576 34.977 32.600 -0.332 0.000 1.750 312 M HN 0.711 nan 8.290 nan 0.000 0.494 313 T N 3.075 117.661 114.554 0.053 0.000 2.812 313 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 313 T C -1.050 173.792 174.700 0.236 0.000 0.990 313 T CA -0.478 61.714 62.100 0.153 0.000 0.960 313 T CB 1.639 70.657 68.868 0.251 0.000 0.948 313 T HN 0.457 nan 8.240 nan 0.000 0.438 314 V N 4.800 124.906 119.914 0.319 0.000 2.368 314 V HA 0.300 4.420 4.120 -0.000 0.000 0.266 314 V C 0.186 176.634 176.094 0.590 0.000 1.045 314 V CA -0.877 61.693 62.300 0.449 0.000 0.899 314 V CB -0.183 31.884 31.823 0.408 0.000 1.006 314 V HN 0.834 nan 8.190 nan 0.000 0.470 315 F N 9.281 129.573 119.950 0.570 0.000 2.602 315 F HA 0.174 4.701 4.527 -0.000 0.000 0.367 315 F C -1.408 174.640 175.800 0.414 0.000 1.126 315 F CA -1.053 57.151 58.000 0.339 0.000 1.321 315 F CB 1.034 40.090 39.000 0.093 0.000 1.094 315 F HN 0.390 nan 8.300 nan 0.000 0.594 316 P HA -0.006 nan 4.420 nan 0.000 0.216 316 P C 0.346 177.538 177.300 -0.179 0.000 1.154 316 P CA 1.710 64.234 63.100 -0.960 0.000 0.857 316 P CB 0.170 31.120 31.700 -1.251 0.000 0.787 317 T N -5.220 109.321 114.554 -0.021 0.000 3.339 317 T HA 0.259 4.609 4.350 -0.000 0.000 0.292 317 T C -0.178 174.613 174.700 0.151 0.000 1.012 317 T CA -0.486 61.758 62.100 0.240 0.000 0.937 317 T CB -1.390 67.564 68.868 0.143 0.000 1.164 317 T HN 0.008 nan 8.240 nan 0.000 0.509 318 C N 2.138 121.551 119.300 0.189 0.000 2.255 318 C HA 0.819 5.279 4.460 -0.000 0.000 0.326 318 C C -0.247 174.870 174.990 0.211 0.000 1.258 318 C CA 0.005 59.119 59.018 0.160 0.000 1.676 318 C CB -0.698 27.253 27.740 0.353 0.000 2.314 318 C HN 0.620 nan 8.230 nan 0.000 0.509 319 S N 4.540 120.279 115.700 0.064 0.000 2.540 319 S HA 0.929 5.399 4.470 -0.000 0.000 0.275 319 S C -1.057 173.635 174.600 0.153 0.000 1.123 319 S CA -0.386 57.850 58.200 0.060 0.000 0.907 319 S CB 1.358 64.583 63.200 0.041 0.000 1.081 319 S HN 0.858 nan 8.310 nan 0.000 0.476 320 F N -0.194 119.917 119.950 0.269 0.000 2.741 320 F HA 0.676 5.203 4.527 -0.000 0.000 0.311 320 F C -1.978 173.974 175.800 0.253 0.000 1.149 320 F CA -1.360 56.755 58.000 0.191 0.000 0.930 320 F CB 1.007 40.058 39.000 0.085 0.000 1.312 320 F HN 0.309 nan 8.300 nan 0.000 0.450 321 L N 2.065 123.475 121.223 0.312 0.000 2.433 321 L HA 0.435 4.775 4.340 -0.000 0.000 0.256 321 L C -2.747 174.199 176.870 0.127 0.000 1.063 321 L CA -1.780 53.128 54.840 0.114 0.000 0.922 321 L CB 1.279 43.242 42.059 -0.160 0.000 1.238 321 L HN 0.258 nan 8.230 nan 0.000 0.466 322 P HA 0.057 nan 4.420 nan 0.000 0.261 322 P C 0.965 178.231 177.300 -0.058 0.000 1.183 322 P CA 1.013 64.266 63.100 0.255 0.000 0.761 322 P CB 1.018 32.988 31.700 0.450 0.000 0.785 323 G N 2.910 111.389 108.800 -0.536 0.000 2.397 323 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.211 323 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.211 323 G C 0.945 175.501 174.900 -0.572 0.000 1.077 323 G CA 0.193 44.543 45.100 -1.251 0.000 0.649 323 G HN 0.464 nan 8.290 nan 0.000 0.511 324 I N 0.090 120.490 120.570 -0.284 0.000 2.429 324 I HA 0.157 4.327 4.170 -0.000 0.000 0.247 324 I C 1.440 177.587 176.117 0.051 0.000 1.099 324 I CA 1.147 62.348 61.300 -0.165 0.000 1.422 324 I CB -0.045 37.761 38.000 -0.323 0.000 1.112 324 I HN 0.287 nan 8.210 nan 0.000 0.430 325 N N 0.526 119.236 118.700 0.016 0.000 2.869 325 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 325 N C 0.169 175.696 175.510 0.029 0.000 1.104 325 N CA 1.020 54.097 53.050 0.046 0.000 0.760 325 N CB -1.598 36.886 38.487 -0.005 0.000 1.108 325 N HN 0.338 nan 8.380 nan 0.000 0.555 326 T N -0.524 114.044 114.554 0.023 0.000 2.832 326 T HA 0.586 4.936 4.350 -0.000 0.000 0.296 326 T C 0.152 174.830 174.700 -0.037 0.000 0.968 326 T CA -0.307 61.794 62.100 0.003 0.000 1.107 326 T CB 0.746 69.659 68.868 0.076 0.000 0.916 326 T HN 0.012 nan 8.240 nan 0.000 0.517 327 V N 6.843 126.580 119.914 -0.294 0.000 2.667 327 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 327 V C -0.026 175.700 176.094 -0.614 0.000 1.048 327 V CA -0.974 61.070 62.300 -0.428 0.000 0.928 327 V CB 1.741 33.123 31.823 -0.735 0.000 1.004 327 V HN 1.024 nan 8.190 nan 0.000 0.444 328 R N 1.060 121.271 120.500 -0.482 0.000 2.710 328 R HA 0.587 4.927 4.340 -0.000 0.000 0.270 328 R C -1.456 174.456 176.300 -0.647 0.000 1.021 328 R CA -0.562 55.191 56.100 -0.578 0.000 0.889 328 R CB 1.433 31.301 30.300 -0.720 0.000 1.243 328 R HN 0.549 nan 8.270 nan 0.000 0.464 329 T N 1.236 115.441 114.554 -0.582 0.000 2.823 329 T HA 0.445 4.795 4.350 -0.000 0.000 0.279 329 T C -0.788 173.432 174.700 -0.799 0.000 0.998 329 T CA -0.354 61.341 62.100 -0.674 0.000 0.994 329 T CB 0.758 69.246 68.868 -0.632 0.000 0.960 329 T HN 0.469 nan 8.240 nan 0.000 0.448 330 W N 2.539 123.640 121.300 -0.331 0.000 2.357 330 W HA 0.349 5.009 4.660 -0.000 0.000 0.317 330 W C 0.369 176.704 176.519 -0.307 0.000 1.101 330 W CA -0.872 56.324 57.345 -0.248 0.000 1.380 330 W CB -0.169 29.247 29.460 -0.074 0.000 1.266 330 W HN 0.687 nan 8.180 nan 0.000 0.419 331 H N 4.588 123.642 119.070 -0.026 0.000 2.652 331 H HA 0.161 4.717 4.556 -0.000 0.000 0.298 331 H C -1.771 173.472 175.328 -0.142 0.000 1.076 331 H CA -1.911 54.019 56.048 -0.198 0.000 1.360 331 H CB 0.645 30.138 29.762 -0.448 0.000 1.421 331 H HN 0.071 nan 8.280 nan 0.000 0.464 332 P HA 0.068 nan 4.420 nan 0.000 0.276 332 P C -0.312 176.951 177.300 -0.061 0.000 1.230 332 P CA -0.442 62.613 63.100 -0.075 0.000 0.776 332 P CB 1.067 32.554 31.700 -0.355 0.000 0.888 333 R N 2.459 122.923 120.500 -0.061 0.000 2.681 333 R HA 0.478 4.818 4.340 -0.000 0.000 0.277 333 R C 0.687 176.830 176.300 -0.262 0.000 1.563 333 R CA -0.385 55.644 56.100 -0.119 0.000 1.673 333 R CB 0.109 30.360 30.300 -0.081 0.000 1.258 333 R HN 0.908 nan 8.270 nan 0.000 0.650 334 G N 2.497 110.913 108.800 -0.639 0.000 2.860 334 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.553 334 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.553 334 G C -1.698 172.651 174.900 -0.917 0.000 1.439 334 G CA -0.639 43.738 45.100 -1.204 0.000 0.879 334 G HN 0.193 nan 8.290 nan 0.000 0.545 335 P HA -0.025 nan 4.420 nan 0.000 0.231 335 P C 0.834 178.101 177.300 -0.055 0.000 1.158 335 P CA 1.101 64.103 63.100 -0.163 0.000 0.763 335 P CB 0.102 31.786 31.700 -0.027 0.000 0.805 336 N N -0.439 118.208 118.700 -0.088 0.000 2.184 336 N HA 0.080 4.820 4.740 -0.000 0.000 0.206 336 N C 0.188 175.702 175.510 0.006 0.000 1.151 336 N CA 0.195 53.240 53.050 -0.008 0.000 0.878 336 N CB 1.463 39.946 38.487 -0.007 0.000 1.014 336 N HN 0.352 nan 8.380 nan 0.000 0.512 337 E N 0.060 120.252 120.200 -0.013 0.000 2.390 337 E HA 0.403 4.753 4.350 -0.000 0.000 0.280 337 E C -2.045 174.575 176.600 0.032 0.000 0.992 337 E CA -0.590 55.819 56.400 0.015 0.000 0.790 337 E CB 2.395 32.094 29.700 -0.001 0.000 1.248 337 E HN -0.207 nan 8.360 nan 0.000 0.447 338 V N 2.386 122.337 119.914 0.061 0.000 2.851 338 V HA 0.405 4.525 4.120 -0.000 0.000 0.307 338 V C -1.496 174.655 176.094 0.094 0.000 1.129 338 V CA -0.435 61.921 62.300 0.093 0.000 0.932 338 V CB 2.065 33.956 31.823 0.114 0.000 1.024 338 V HN 0.782 nan 8.190 nan 0.000 0.426 339 E N 3.590 123.860 120.200 0.117 0.000 2.266 339 E HA 0.558 4.908 4.350 -0.000 0.000 0.277 339 E C -1.114 175.587 176.600 0.169 0.000 1.018 339 E CA -0.548 55.958 56.400 0.175 0.000 0.840 339 E CB 2.160 32.067 29.700 0.345 0.000 1.082 339 E HN 0.542 nan 8.360 nan 0.000 0.395 340 V N 3.530 123.431 119.914 -0.022 0.000 2.370 340 V HA 0.218 4.338 4.120 -0.000 0.000 0.279 340 V C -1.001 175.206 176.094 0.188 0.000 1.029 340 V CA -0.717 61.462 62.300 -0.202 0.000 0.870 340 V CB 0.263 31.483 31.823 -1.004 0.000 0.984 340 V HN 0.607 nan 8.190 nan 0.000 0.451 341 W N 3.630 124.839 121.300 -0.151 0.000 2.362 341 W HA 0.796 5.456 4.660 -0.000 0.000 0.316 341 W C 0.041 176.557 176.519 -0.006 0.000 1.024 341 W CA -0.920 56.458 57.345 0.055 0.000 1.270 341 W CB 1.668 31.234 29.460 0.177 0.000 1.273 341 W HN 0.651 nan 8.180 nan 0.000 0.424 342 A N 4.746 127.743 122.820 0.295 0.000 2.414 342 A HA 0.943 5.263 4.320 -0.000 0.000 0.306 342 A C -1.305 176.419 177.584 0.234 0.000 1.054 342 A CA -0.555 51.559 52.037 0.129 0.000 0.724 342 A CB 1.128 20.224 19.000 0.161 0.000 1.267 342 A HN 0.538 nan 8.150 nan 0.000 0.418 343 F N -0.824 119.189 119.950 0.105 0.000 2.764 343 F HA 0.925 5.452 4.527 -0.000 0.000 0.347 343 F C -0.206 175.628 175.800 0.055 0.000 1.151 343 F CA -0.983 57.061 58.000 0.072 0.000 1.021 343 F CB 1.329 40.357 39.000 0.047 0.000 1.438 343 F HN 0.342 nan 8.300 nan 0.000 0.516 344 T N 1.592 116.301 114.554 0.259 0.000 2.879 344 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 344 T C -1.097 173.654 174.700 0.085 0.000 0.993 344 T CA -0.665 61.499 62.100 0.105 0.000 0.975 344 T CB 1.509 70.440 68.868 0.104 0.000 0.981 344 T HN 0.818 nan 8.240 nan 0.000 0.439 345 V N 2.056 121.959 119.914 -0.018 0.000 2.547 345 V HA 0.978 5.098 4.120 -0.000 0.000 0.299 345 V C -0.001 175.935 176.094 -0.263 0.000 1.040 345 V CA -0.863 61.363 62.300 -0.123 0.000 0.913 345 V CB 1.143 32.899 31.823 -0.112 0.000 0.992 345 V HN 0.740 nan 8.190 nan 0.000 0.449 346 V N 0.066 119.815 119.914 -0.276 0.000 3.001 346 V HA 0.627 4.747 4.120 -0.000 0.000 0.314 346 V C -0.396 175.577 176.094 -0.201 0.000 1.099 346 V CA -0.776 61.294 62.300 -0.382 0.000 0.989 346 V CB 1.808 33.423 31.823 -0.348 0.000 1.040 346 V HN 0.862 nan 8.190 nan 0.000 0.434 347 D N 2.203 122.519 120.400 -0.140 0.000 2.487 347 D HA 0.218 4.858 4.640 -0.000 0.000 0.243 347 D C 1.305 177.590 176.300 -0.025 0.000 1.154 347 D CA 0.869 54.858 54.000 -0.018 0.000 0.876 347 D CB 1.828 42.688 40.800 0.099 0.000 1.161 347 D HN 0.942 nan 8.370 nan 0.000 0.478 348 A N 3.355 126.167 122.820 -0.014 0.000 2.084 348 A HA -0.228 4.091 4.320 -0.000 0.000 0.221 348 A C 1.349 178.934 177.584 0.000 0.000 1.161 348 A CA 1.726 53.756 52.037 -0.012 0.000 0.653 348 A CB -0.082 18.918 19.000 -0.000 0.000 0.802 348 A HN 0.610 nan 8.150 nan 0.000 0.457 349 D N -1.578 118.834 120.400 0.019 0.000 2.469 349 D HA 0.435 5.075 4.640 -0.000 0.000 0.213 349 D C 0.554 176.889 176.300 0.059 0.000 1.135 349 D CA 0.323 54.342 54.000 0.031 0.000 0.834 349 D CB -0.634 40.184 40.800 0.030 0.000 1.009 349 D HN 0.343 nan 8.370 nan 0.000 0.507 350 A N 1.252 124.114 122.820 0.069 0.000 2.466 350 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 350 A C -2.212 175.398 177.584 0.042 0.000 1.074 350 A CA -0.804 51.291 52.037 0.097 0.000 0.774 350 A CB -0.270 18.720 19.000 -0.017 0.000 1.015 350 A HN 0.080 nan 8.150 nan 0.000 0.498 351 P HA 0.075 nan 4.420 nan 0.000 0.269 351 P C 0.321 177.628 177.300 0.012 0.000 1.215 351 P CA -0.215 62.909 63.100 0.040 0.000 0.780 351 P CB 0.473 32.210 31.700 0.061 0.000 0.898 352 D N 1.547 121.956 120.400 0.014 0.000 2.600 352 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 352 D C 1.312 177.618 176.300 0.009 0.000 1.040 352 D CA 2.088 56.094 54.000 0.009 0.000 0.871 352 D CB -0.408 40.398 40.800 0.011 0.000 0.973 352 D HN 0.592 nan 8.370 nan 0.000 0.470 353 D N -0.678 119.728 120.400 0.011 0.000 2.317 353 D HA -0.105 4.535 4.640 -0.000 0.000 0.211 353 D C 2.099 178.400 176.300 0.002 0.000 0.966 353 D CA 0.114 54.120 54.000 0.009 0.000 0.876 353 D CB -0.160 40.647 40.800 0.012 0.000 0.927 353 D HN 0.210 nan 8.370 nan 0.000 0.519 354 I N 1.648 122.211 120.570 -0.012 0.000 2.286 354 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 354 I C 2.417 178.576 176.117 0.071 0.000 1.104 354 I CA 0.659 61.933 61.300 -0.043 0.000 1.397 354 I CB -0.569 37.291 38.000 -0.233 0.000 1.072 354 I HN -0.084 nan 8.210 nan 0.000 0.417 355 K N 0.073 120.499 120.400 0.043 0.000 2.032 355 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 355 K C 2.062 178.718 176.600 0.094 0.000 1.048 355 K CA 1.813 58.139 56.287 0.065 0.000 0.927 355 K CB -0.210 32.292 32.500 0.003 0.000 0.712 355 K HN 0.173 nan 8.250 nan 0.000 0.441 356 E N 1.446 121.676 120.200 0.051 0.000 2.077 356 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 356 E C 1.850 178.475 176.600 0.041 0.000 0.989 356 E CA 1.643 58.067 56.400 0.039 0.000 0.800 356 E CB -0.053 29.659 29.700 0.020 0.000 0.746 356 E HN 0.199 nan 8.360 nan 0.000 0.452 357 E N -0.411 119.803 120.200 0.024 0.000 2.051 357 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 357 E C 1.742 178.317 176.600 -0.042 0.000 0.991 357 E CA 1.422 57.804 56.400 -0.031 0.000 0.799 357 E CB -0.658 28.994 29.700 -0.079 0.000 0.748 357 E HN 0.402 nan 8.360 nan 0.000 0.449 358 F N 0.508 120.423 119.950 -0.060 0.000 2.154 358 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 358 F C 2.631 178.416 175.800 -0.025 0.000 1.087 358 F CA 1.649 59.617 58.000 -0.052 0.000 1.274 358 F CB -0.131 38.830 39.000 -0.066 0.000 1.009 358 F HN 0.017 nan 8.300 nan 0.000 0.485 359 R N 0.370 120.973 120.500 0.172 0.000 2.064 359 R HA -0.116 4.224 4.340 -0.000 0.000 0.228 359 R C 2.463 178.805 176.300 0.069 0.000 1.144 359 R CA 1.376 57.539 56.100 0.105 0.000 0.932 359 R CB -0.238 30.104 30.300 0.070 0.000 0.833 359 R HN 0.116 nan 8.270 nan 0.000 0.429 360 R N 0.091 120.616 120.500 0.041 0.000 2.117 360 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 360 R C 2.346 178.658 176.300 0.020 0.000 1.143 360 R CA 1.522 57.635 56.100 0.022 0.000 0.968 360 R CB -0.230 30.075 30.300 0.007 0.000 0.863 360 R HN 0.420 nan 8.270 nan 0.000 0.444 361 Q N -0.413 119.391 119.800 0.007 0.000 2.049 361 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 361 Q C 2.325 178.349 176.000 0.040 0.000 0.971 361 Q CA 2.079 57.877 55.803 -0.009 0.000 0.833 361 Q CB -0.564 28.119 28.738 -0.091 0.000 0.896 361 Q HN 0.505 nan 8.270 nan 0.000 0.434 362 T N 0.890 115.490 114.554 0.077 0.000 2.684 362 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 362 T C 2.036 176.817 174.700 0.136 0.000 1.036 362 T CA 1.694 63.875 62.100 0.135 0.000 1.148 362 T CB -0.720 68.240 68.868 0.153 0.000 0.863 362 T HN 0.287 nan 8.240 nan 0.000 0.436 363 L N 0.523 121.800 121.223 0.091 0.000 2.131 363 L HA 0.224 4.564 4.340 -0.000 0.000 0.210 363 L C 2.539 179.429 176.870 0.033 0.000 1.092 363 L CA 1.556 56.430 54.840 0.057 0.000 0.759 363 L CB -0.982 41.098 42.059 0.035 0.000 0.903 363 L HN 0.103 nan 8.230 nan 0.000 0.435 364 R N -0.024 120.500 120.500 0.039 0.000 2.235 364 R HA -0.077 4.263 4.340 -0.000 0.000 0.213 364 R C 1.542 177.873 176.300 0.051 0.000 1.059 364 R CA 1.560 57.678 56.100 0.031 0.000 0.997 364 R CB -0.130 30.188 30.300 0.030 0.000 0.884 364 R HN 0.784 nan 8.270 nan 0.000 0.462 365 T N -3.418 111.179 114.554 0.072 0.000 3.238 365 T HA 0.139 4.489 4.350 -0.000 0.000 0.242 365 T C 0.820 175.448 174.700 -0.120 0.000 0.980 365 T CA -0.260 61.867 62.100 0.046 0.000 1.235 365 T CB -0.231 68.642 68.868 0.007 0.000 1.069 365 T HN 0.038 nan 8.240 nan 0.000 0.407 366 F N 3.573 123.558 119.950 0.057 0.000 2.980 366 F HA 0.594 5.121 4.527 -0.000 0.000 0.299 366 F C 0.882 176.780 175.800 0.164 0.000 1.211 366 F CA -0.755 57.330 58.000 0.141 0.000 1.328 366 F CB 0.237 39.321 39.000 0.140 0.000 1.154 366 F HN 0.325 nan 8.300 nan 0.000 0.528 367 S N -0.550 115.215 115.700 0.108 0.000 2.638 367 S HA 0.752 5.222 4.470 -0.000 0.000 0.302 367 S C 1.173 175.527 174.600 -0.410 0.000 1.096 367 S CA -0.247 57.903 58.200 -0.084 0.000 0.953 367 S CB 1.657 64.802 63.200 -0.092 0.000 1.107 367 S HN 0.225 nan 8.310 nan 0.000 0.503 368 A N 1.775 123.874 122.820 -1.202 0.000 1.923 368 A HA -0.035 4.285 4.320 -0.000 0.000 0.222 368 A C 1.868 179.121 177.584 -0.552 0.000 1.258 368 A CA 2.364 53.555 52.037 -1.411 0.000 0.670 368 A CB -1.744 16.257 19.000 -1.665 0.000 0.834 368 A HN 1.547 nan 8.150 nan 0.000 0.470 369 G N -1.077 107.503 108.800 -0.367 0.000 3.284 369 G HA2 0.439 4.399 3.960 -0.000 0.000 0.236 369 G HA3 0.439 4.399 3.960 -0.000 0.000 0.236 369 G C 0.591 175.413 174.900 -0.130 0.000 1.158 369 G CA 0.526 45.507 45.100 -0.199 0.000 0.774 369 G HN 0.808 nan 8.290 nan 0.000 0.545 370 G N -0.080 108.645 108.800 -0.125 0.000 2.527 370 G HA2 0.340 4.300 3.960 -0.000 0.000 0.248 370 G HA3 0.340 4.300 3.960 -0.000 0.000 0.248 370 G C 1.257 176.129 174.900 -0.046 0.000 1.231 370 G CA 0.231 45.295 45.100 -0.059 0.000 0.838 370 G HN 0.551 nan 8.290 nan 0.000 0.570 371 V N -0.481 119.430 119.914 -0.005 0.000 3.241 371 V HA 0.014 4.134 4.120 -0.000 0.000 0.269 371 V C 1.604 177.605 176.094 -0.155 0.000 1.151 371 V CA 1.218 63.484 62.300 -0.056 0.000 1.158 371 V CB -1.079 30.716 31.823 -0.046 0.000 0.764 371 V HN 0.507 nan 8.190 nan 0.000 0.508 372 F N 0.749 120.517 119.950 -0.303 0.000 2.390 372 F HA 0.292 4.819 4.527 -0.000 0.000 0.281 372 F C 2.435 178.110 175.800 -0.210 0.000 1.016 372 F CA 1.162 58.914 58.000 -0.413 0.000 1.286 372 F CB -0.431 37.852 39.000 -1.195 0.000 1.134 372 F HN 0.062 nan 8.300 nan 0.000 0.597 373 E N 0.128 120.280 120.200 -0.080 0.000 2.268 373 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 373 E C 2.011 178.655 176.600 0.074 0.000 0.995 373 E CA 0.713 57.167 56.400 0.091 0.000 0.836 373 E CB -0.026 29.826 29.700 0.253 0.000 0.763 373 E HN 0.364 nan 8.360 nan 0.000 0.491 374 Q N 0.279 120.074 119.800 -0.009 0.000 2.124 374 Q HA -0.275 4.065 4.340 -0.000 0.000 0.215 374 Q C 1.512 177.486 176.000 -0.044 0.000 1.015 374 Q CA 2.121 57.903 55.803 -0.035 0.000 0.890 374 Q CB -0.094 28.604 28.738 -0.067 0.000 0.966 374 Q HN 0.346 nan 8.270 nan 0.000 0.412 375 D N -0.313 120.046 120.400 -0.069 0.000 2.194 375 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 375 D C 1.363 177.525 176.300 -0.230 0.000 0.964 375 D CA 0.765 54.678 54.000 -0.145 0.000 0.846 375 D CB -0.214 40.463 40.800 -0.205 0.000 0.962 375 D HN 0.246 nan 8.370 nan 0.000 0.490 376 D N 0.452 120.709 120.400 -0.238 0.000 2.117 376 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 376 D C 2.125 177.986 176.300 -0.731 0.000 0.987 376 D CA 1.122 54.733 54.000 -0.648 0.000 0.829 376 D CB -0.311 40.059 40.800 -0.717 0.000 0.961 376 D HN 0.228 nan 8.370 nan 0.000 0.460 377 G N 1.208 109.857 108.800 -0.251 0.000 2.514 377 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 377 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 377 G C 1.600 176.507 174.900 0.013 0.000 1.198 377 G CA 1.198 46.320 45.100 0.037 0.000 0.780 377 G HN 0.242 nan 8.290 nan 0.000 0.565 378 E N 1.073 121.249 120.200 -0.040 0.000 2.097 378 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 378 E C 2.376 178.941 176.600 -0.058 0.000 1.000 378 E CA 1.666 58.044 56.400 -0.037 0.000 0.804 378 E CB -0.278 29.386 29.700 -0.060 0.000 0.740 378 E HN 0.377 nan 8.360 nan 0.000 0.454 379 N N -0.345 118.266 118.700 -0.147 0.000 2.080 379 N HA -0.143 4.597 4.740 -0.000 0.000 0.189 379 N C 1.453 176.951 175.510 -0.020 0.000 1.036 379 N CA 1.326 54.296 53.050 -0.134 0.000 0.846 379 N CB -0.657 37.695 38.487 -0.226 0.000 1.015 379 N HN 0.321 nan 8.380 nan 0.000 0.423 380 W N 1.467 122.695 121.300 -0.120 0.000 2.342 380 W HA -0.010 4.650 4.660 -0.000 0.000 0.297 380 W C 2.199 178.629 176.519 -0.148 0.000 1.213 380 W CA 0.270 57.504 57.345 -0.185 0.000 1.251 380 W CB -1.142 28.261 29.460 -0.094 0.000 1.136 380 W HN -0.129 nan 8.180 nan 0.000 0.526 381 V N 0.515 120.535 119.914 0.177 0.000 2.295 381 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 381 V C 2.371 178.520 176.094 0.090 0.000 1.049 381 V CA 1.980 64.351 62.300 0.119 0.000 1.024 381 V CB -0.807 31.079 31.823 0.105 0.000 0.648 381 V HN 0.062 nan 8.190 nan 0.000 0.447 382 E N 0.225 120.461 120.200 0.061 0.000 2.038 382 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 382 E C 2.249 178.846 176.600 -0.005 0.000 1.000 382 E CA 1.746 58.175 56.400 0.047 0.000 0.803 382 E CB -0.410 29.285 29.700 -0.007 0.000 0.750 382 E HN 0.553 nan 8.360 nan 0.000 0.448 383 I N 0.970 121.476 120.570 -0.107 0.000 2.113 383 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 383 I C 2.803 178.854 176.117 -0.110 0.000 1.057 383 I CA 1.730 62.891 61.300 -0.231 0.000 1.314 383 I CB -0.447 37.184 38.000 -0.615 0.000 1.022 383 I HN 0.140 nan 8.210 nan 0.000 0.408 384 Q N 0.234 120.004 119.800 -0.050 0.000 2.016 384 Q HA -0.256 4.084 4.340 -0.000 0.000 0.200 384 Q C 2.270 178.353 176.000 0.138 0.000 0.978 384 Q CA 1.795 57.645 55.803 0.078 0.000 0.833 384 Q CB -0.389 28.408 28.738 0.099 0.000 0.895 384 Q HN 0.478 nan 8.270 nan 0.000 0.427 385 H N 0.065 119.146 119.070 0.018 0.000 2.357 385 H HA -0.142 4.414 4.556 -0.000 0.000 0.296 385 H C 1.743 177.087 175.328 0.026 0.000 1.108 385 H CA 2.099 58.161 56.048 0.023 0.000 1.273 385 H CB -0.400 29.371 29.762 0.016 0.000 1.367 385 H HN 0.375 nan 8.280 nan 0.000 0.498 386 I N -0.090 120.495 120.570 0.025 0.000 2.286 386 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 386 I C 2.377 178.511 176.117 0.028 0.000 1.115 386 I CA 0.855 62.126 61.300 -0.048 0.000 1.392 386 I CB -0.240 37.741 38.000 -0.032 0.000 1.065 386 I HN 0.187 nan 8.210 nan 0.000 0.418 387 L N 0.409 121.679 121.223 0.079 0.000 2.549 387 L HA -0.149 4.191 4.340 -0.000 0.000 0.229 387 L C 2.495 179.418 176.870 0.088 0.000 1.158 387 L CA 0.469 55.364 54.840 0.092 0.000 0.842 387 L CB -0.438 41.703 42.059 0.136 0.000 0.952 387 L HN 0.212 nan 8.230 nan 0.000 0.452 388 R N 0.952 121.513 120.500 0.101 0.000 2.152 388 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 388 R C 1.126 177.477 176.300 0.084 0.000 1.117 388 R CA 0.830 56.994 56.100 0.106 0.000 0.981 388 R CB -0.414 29.978 30.300 0.154 0.000 0.870 388 R HN 0.254 nan 8.270 nan 0.000 0.451 389 G N -1.394 107.443 108.800 0.062 0.000 2.572 389 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.261 389 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.261 389 G C 0.017 174.967 174.900 0.084 0.000 1.197 389 G CA -0.185 44.955 45.100 0.066 0.000 0.870 389 G HN 0.391 nan 8.290 nan 0.000 0.548 390 H N 0.391 119.473 119.070 0.019 0.000 2.287 390 H HA 0.042 4.598 4.556 -0.000 0.000 0.309 390 H C 1.923 177.258 175.328 0.013 0.000 1.059 390 H CA 1.108 57.167 56.048 0.018 0.000 1.357 390 H CB 0.191 29.961 29.762 0.014 0.000 1.409 390 H HN 0.334 nan 8.280 nan 0.000 0.515 391 K N 0.848 121.210 120.400 -0.063 0.000 2.211 391 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 391 K C 2.077 178.611 176.600 -0.110 0.000 1.047 391 K CA 0.868 57.084 56.287 -0.118 0.000 0.935 391 K CB -0.406 32.111 32.500 0.028 0.000 0.728 391 K HN 0.385 nan 8.250 nan 0.000 0.452 392 A N 0.771 123.554 122.820 -0.060 0.000 2.121 392 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 392 A C 1.866 179.404 177.584 -0.076 0.000 1.154 392 A CA 0.940 52.959 52.037 -0.029 0.000 0.679 392 A CB -0.129 18.877 19.000 0.011 0.000 0.795 392 A HN 0.201 nan 8.150 nan 0.000 0.458 393 R N -0.877 119.545 120.500 -0.130 0.000 2.397 393 R HA 0.183 4.523 4.340 -0.000 0.000 0.241 393 R C 0.846 177.038 176.300 -0.180 0.000 0.914 393 R CA 0.493 56.506 56.100 -0.145 0.000 1.071 393 R CB 0.345 30.594 30.300 -0.085 0.000 1.116 393 R HN 0.409 nan 8.270 nan 0.000 0.524 394 S N -0.081 115.495 115.700 -0.206 0.000 2.524 394 S HA 0.239 4.709 4.470 -0.000 0.000 0.215 394 S C 0.347 174.879 174.600 -0.114 0.000 0.986 394 S CA -0.003 58.083 58.200 -0.190 0.000 0.911 394 S CB 0.485 63.525 63.200 -0.268 0.000 0.805 394 S HN 0.160 nan 8.310 nan 0.000 0.501 395 R N 1.669 122.104 120.500 -0.108 0.000 2.750 395 R HA 0.434 4.774 4.340 -0.000 0.000 0.281 395 R C -3.065 173.174 176.300 -0.102 0.000 0.972 395 R CA -2.162 53.896 56.100 -0.069 0.000 0.912 395 R CB 1.022 31.306 30.300 -0.027 0.000 1.187 395 R HN 0.042 nan 8.270 nan 0.000 0.464 396 P HA 0.057 nan 4.420 nan 0.000 0.272 396 P C -0.593 176.747 177.300 0.067 0.000 1.230 396 P CA 0.124 63.185 63.100 -0.065 0.000 0.788 396 P CB 0.555 32.244 31.700 -0.019 0.000 0.949 397 F N 0.360 120.319 119.950 0.016 0.000 2.370 397 F HA 0.171 4.698 4.527 -0.000 0.000 0.324 397 F C 1.644 177.451 175.800 0.011 0.000 1.116 397 F CA -0.876 57.138 58.000 0.022 0.000 1.123 397 F CB 0.824 39.855 39.000 0.053 0.000 1.238 397 F HN 0.265 nan 8.300 nan 0.000 0.536 398 N N 1.927 120.751 118.700 0.206 0.000 2.415 398 N HA 0.228 4.968 4.740 -0.000 0.000 0.246 398 N C -0.655 174.900 175.510 0.076 0.000 1.078 398 N CA 0.050 53.158 53.050 0.097 0.000 0.942 398 N CB 1.326 39.843 38.487 0.048 0.000 1.140 398 N HN 0.698 nan 8.380 nan 0.000 0.501 399 A N 3.608 126.480 122.820 0.087 0.000 2.965 399 A HA 0.123 4.443 4.320 -0.000 0.000 0.304 399 A C 0.947 178.567 177.584 0.060 0.000 1.214 399 A CA -0.515 51.581 52.037 0.099 0.000 0.977 399 A CB -0.242 18.874 19.000 0.192 0.000 1.127 399 A HN 0.818 nan 8.150 nan 0.000 0.572 400 E N -0.549 119.658 120.200 0.011 0.000 2.481 400 E HA 0.186 4.536 4.350 -0.000 0.000 0.198 400 E C 0.639 177.218 176.600 -0.034 0.000 1.027 400 E CA -0.467 55.921 56.400 -0.019 0.000 0.900 400 E CB -0.078 29.600 29.700 -0.037 0.000 0.993 400 E HN 0.584 nan 8.360 nan 0.000 0.482 401 M N 2.039 121.611 119.600 -0.047 0.000 2.248 401 M HA -0.065 4.415 4.480 -0.000 0.000 0.343 401 M C -0.388 175.877 176.300 -0.058 0.000 1.243 401 M CA 0.824 56.071 55.300 -0.088 0.000 1.025 401 M CB 0.046 32.548 32.600 -0.162 0.000 1.759 401 M HN 0.176 nan 8.290 nan 0.000 0.452 402 S N 3.854 119.521 115.700 -0.055 0.000 3.447 402 S HA -0.167 4.303 4.470 -0.000 0.000 0.371 402 S C -0.057 174.528 174.600 -0.023 0.000 0.951 402 S CA 0.481 58.663 58.200 -0.031 0.000 1.269 402 S CB -1.488 61.698 63.200 -0.023 0.000 0.919 402 S HN 0.720 nan 8.310 nan 0.000 0.516 403 M N 1.137 120.721 119.600 -0.027 0.000 2.240 403 M HA 0.108 4.588 4.480 -0.000 0.000 0.333 403 M C 0.944 177.233 176.300 -0.017 0.000 1.110 403 M CA 0.259 55.544 55.300 -0.026 0.000 1.173 403 M CB -0.004 32.569 32.600 -0.046 0.000 1.458 403 M HN 0.292 nan 8.290 nan 0.000 0.458 404 D N 0.967 121.361 120.400 -0.010 0.000 2.751 404 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 404 D C -0.279 176.022 176.300 0.001 0.000 1.149 404 D CA 1.039 55.038 54.000 -0.001 0.000 0.682 404 D CB -1.062 39.737 40.800 -0.001 0.000 1.068 404 D HN 0.596 nan 8.370 nan 0.000 0.429 405 Q N -0.405 119.394 119.800 -0.002 0.000 2.211 405 Q HA 0.196 4.536 4.340 -0.000 0.000 0.301 405 Q C -0.174 175.826 176.000 -0.001 0.000 0.884 405 Q CA -0.002 55.800 55.803 -0.001 0.000 1.115 405 Q CB 0.879 29.614 28.738 -0.004 0.000 1.217 405 Q HN 0.401 nan 8.270 nan 0.000 0.451 406 T N -2.287 112.269 114.554 0.003 0.000 2.809 406 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 406 T C 0.136 174.847 174.700 0.018 0.000 0.992 406 T CA -0.754 61.349 62.100 0.006 0.000 0.957 406 T CB 1.298 70.167 68.868 0.001 0.000 0.942 406 T HN 0.024 nan 8.240 nan 0.000 0.439 407 V N 1.531 121.460 119.914 0.025 0.000 2.834 407 V HA 0.569 4.689 4.120 -0.000 0.000 0.301 407 V C 0.383 176.501 176.094 0.040 0.000 1.066 407 V CA -0.677 61.643 62.300 0.033 0.000 1.052 407 V CB 0.850 32.696 31.823 0.039 0.000 1.021 407 V HN 0.994 nan 8.190 nan 0.000 0.480 408 D N 0.761 121.186 120.400 0.041 0.000 2.788 408 D HA 0.144 4.784 4.640 -0.000 0.000 0.289 408 D C 0.177 176.504 176.300 0.045 0.000 1.340 408 D CA -0.251 53.776 54.000 0.046 0.000 0.831 408 D CB -0.555 40.271 40.800 0.043 0.000 1.103 408 D HN 0.743 nan 8.370 nan 0.000 0.476 409 N N -0.920 117.807 118.700 0.045 0.000 2.361 409 N HA 0.017 4.757 4.740 -0.000 0.000 0.253 409 N C -0.674 174.861 175.510 0.042 0.000 1.413 409 N CA -0.486 52.587 53.050 0.038 0.000 0.821 409 N CB -0.020 38.487 38.487 0.033 0.000 1.380 409 N HN 0.007 nan 8.380 nan 0.000 0.493 410 D N 2.188 122.624 120.400 0.060 0.000 2.525 410 D HA -0.001 4.639 4.640 -0.000 0.000 0.235 410 D C -0.839 175.489 176.300 0.046 0.000 1.137 410 D CA -0.703 53.346 54.000 0.081 0.000 0.868 410 D CB 1.521 42.414 40.800 0.156 0.000 1.180 410 D HN 0.100 nan 8.370 nan 0.000 0.465 411 P HA -0.176 nan 4.420 nan 0.000 0.216 411 P C 1.336 178.617 177.300 -0.032 0.000 1.154 411 P CA 1.116 64.221 63.100 0.008 0.000 0.865 411 P CB 0.254 31.964 31.700 0.016 0.000 0.789 412 V N -3.334 116.540 119.914 -0.066 0.000 2.690 412 V HA 0.044 4.164 4.120 -0.000 0.000 0.240 412 V C 0.963 176.835 176.094 -0.369 0.000 1.078 412 V CA 0.558 62.723 62.300 -0.225 0.000 1.102 412 V CB -1.181 30.395 31.823 -0.410 0.000 0.800 412 V HN -0.095 nan 8.190 nan 0.000 0.479 413 Y N 2.964 123.201 120.300 -0.105 0.000 2.341 413 Y HA 0.533 5.083 4.550 -0.000 0.000 0.340 413 Y C -2.237 173.459 175.900 -0.340 0.000 0.997 413 Y CA -2.964 54.933 58.100 -0.339 0.000 1.149 413 Y CB 0.529 39.001 38.460 0.020 0.000 1.171 413 Y HN 0.150 nan 8.280 nan 0.000 0.494 414 P HA 0.332 nan 4.420 nan 0.000 0.276 414 P C 0.559 177.857 177.300 -0.002 0.000 1.261 414 P CA 0.277 63.238 63.100 -0.232 0.000 0.800 414 P CB 1.150 32.652 31.700 -0.331 0.000 1.066 415 G N 0.681 109.517 108.800 0.060 0.000 2.593 415 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 415 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 415 G C -0.831 174.153 174.900 0.141 0.000 1.312 415 G CA -0.585 44.613 45.100 0.163 0.000 0.896 415 G HN 0.650 nan 8.290 nan 0.000 0.574 416 R N 0.024 120.593 120.500 0.116 0.000 2.296 416 R HA 0.484 4.824 4.340 -0.000 0.000 0.327 416 R C -0.136 176.205 176.300 0.067 0.000 1.137 416 R CA -0.241 55.891 56.100 0.053 0.000 1.020 416 R CB 0.093 30.386 30.300 -0.012 0.000 1.110 416 R HN 0.402 nan 8.270 nan 0.000 0.499 417 I N 0.671 121.290 120.570 0.081 0.000 2.498 417 I HA 0.343 4.513 4.170 -0.000 0.000 0.301 417 I C 0.500 176.620 176.117 0.004 0.000 0.984 417 I CA -0.251 61.084 61.300 0.058 0.000 1.204 417 I CB 1.870 39.931 38.000 0.101 0.000 1.362 417 I HN 0.379 nan 8.210 nan 0.000 0.471 418 S N 3.077 118.749 115.700 -0.047 0.000 2.634 418 S HA 0.473 4.943 4.470 -0.000 0.000 0.296 418 S C 0.034 174.583 174.600 -0.085 0.000 1.104 418 S CA -0.697 57.472 58.200 -0.053 0.000 0.920 418 S CB 1.556 64.720 63.200 -0.060 0.000 1.111 418 S HN 0.610 nan 8.310 nan 0.000 0.493 419 N N 1.571 120.236 118.700 -0.058 0.000 2.236 419 N HA 0.135 4.875 4.740 -0.000 0.000 0.196 419 N C -0.693 174.772 175.510 -0.075 0.000 1.114 419 N CA 0.073 53.085 53.050 -0.063 0.000 0.859 419 N CB -0.031 38.446 38.487 -0.017 0.000 0.982 419 N HN 0.542 nan 8.380 nan 0.000 0.493 420 N N 1.347 120.001 118.700 -0.076 0.000 2.485 420 N HA 0.043 4.783 4.740 -0.000 0.000 0.243 420 N C 0.852 176.277 175.510 -0.142 0.000 0.987 420 N CA -0.072 52.937 53.050 -0.067 0.000 0.940 420 N CB 1.500 39.983 38.487 -0.008 0.000 1.122 420 N HN -0.214 nan 8.380 nan 0.000 0.509 421 V N 4.771 124.524 119.914 -0.268 0.000 2.759 421 V HA -0.058 4.062 4.120 -0.000 0.000 0.256 421 V C 0.003 175.950 176.094 -0.245 0.000 1.080 421 V CA 1.304 63.382 62.300 -0.370 0.000 1.101 421 V CB -0.560 30.961 31.823 -0.504 0.000 0.698 421 V HN 0.567 nan 8.190 nan 0.000 0.477 422 Y N 0.884 121.217 120.300 0.055 0.000 2.724 422 Y HA 0.507 5.057 4.550 -0.000 0.000 0.332 422 Y C 0.502 176.375 175.900 -0.045 0.000 1.276 422 Y CA -0.023 58.120 58.100 0.072 0.000 1.597 422 Y CB 0.521 39.081 38.460 0.168 0.000 1.584 422 Y HN 0.191 nan 8.280 nan 0.000 0.478 423 S N 1.197 116.942 115.700 0.074 0.000 2.556 423 S HA 0.361 4.831 4.470 -0.000 0.000 0.271 423 S C -0.375 174.222 174.600 -0.005 0.000 1.135 423 S CA -0.803 57.394 58.200 -0.005 0.000 0.858 423 S CB 1.745 64.935 63.200 -0.017 0.000 1.114 423 S HN 0.605 nan 8.310 nan 0.000 0.468 424 E N 1.020 121.208 120.200 -0.020 0.000 2.496 424 E HA 0.186 4.536 4.350 -0.000 0.000 0.202 424 E C 0.712 177.330 176.600 0.030 0.000 1.021 424 E CA -0.085 56.324 56.400 0.015 0.000 1.015 424 E CB 0.490 30.204 29.700 0.023 0.000 1.102 424 E HN 0.649 nan 8.360 nan 0.000 0.452 425 E N 0.711 120.912 120.200 0.002 0.000 2.072 425 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 425 E C 1.789 178.372 176.600 -0.030 0.000 0.982 425 E CA 1.425 57.822 56.400 -0.006 0.000 0.803 425 E CB -0.017 29.666 29.700 -0.028 0.000 0.755 425 E HN 0.297 nan 8.360 nan 0.000 0.453 426 A N 1.172 123.957 122.820 -0.058 0.000 1.845 426 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 426 A C 2.516 180.058 177.584 -0.071 0.000 1.195 426 A CA 2.418 54.393 52.037 -0.103 0.000 0.616 426 A CB -1.396 17.548 19.000 -0.092 0.000 0.832 426 A HN 0.394 nan 8.150 nan 0.000 0.443 427 A N -0.315 122.491 122.820 -0.023 0.000 1.915 427 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 427 A C 2.249 179.857 177.584 0.038 0.000 1.198 427 A CA 2.090 54.119 52.037 -0.014 0.000 0.647 427 A CB -0.651 18.404 19.000 0.090 0.000 0.825 427 A HN 0.565 nan 8.150 nan 0.000 0.456 428 R N -1.315 119.261 120.500 0.125 0.000 2.105 428 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 428 R C 2.365 178.756 176.300 0.152 0.000 1.135 428 R CA 1.153 57.404 56.100 0.251 0.000 0.967 428 R CB -0.597 29.860 30.300 0.262 0.000 0.861 428 R HN 0.588 nan 8.270 nan 0.000 0.442 429 G N 0.959 109.771 108.800 0.019 0.000 2.408 429 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 429 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 429 G C 1.381 176.220 174.900 -0.102 0.000 1.150 429 G CA 0.220 45.293 45.100 -0.044 0.000 0.776 429 G HN 0.229 nan 8.290 nan 0.000 0.542 430 L N -0.829 120.296 121.223 -0.163 0.000 1.989 430 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 430 L C 2.696 179.440 176.870 -0.211 0.000 1.071 430 L CA 1.697 56.426 54.840 -0.185 0.000 0.749 430 L CB -0.328 41.552 42.059 -0.299 0.000 0.890 430 L HN 0.326 nan 8.230 nan 0.000 0.431 431 Y N -0.550 119.576 120.300 -0.290 0.000 2.242 431 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 431 Y C 2.547 178.251 175.900 -0.327 0.000 1.137 431 Y CA 0.874 58.616 58.100 -0.596 0.000 1.181 431 Y CB -0.547 36.988 38.460 -1.542 0.000 0.989 431 Y HN 0.358 nan 8.280 nan 0.000 0.527 432 A N -0.573 122.270 122.820 0.038 0.000 1.933 432 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 432 A C 2.071 179.749 177.584 0.157 0.000 1.175 432 A CA 1.867 54.077 52.037 0.288 0.000 0.628 432 A CB -0.995 18.188 19.000 0.305 0.000 0.814 432 A HN 0.617 nan 8.150 nan 0.000 0.444 433 H N -2.741 116.283 119.070 -0.076 0.000 2.333 433 H HA -0.193 4.363 4.556 -0.000 0.000 0.302 433 H C 2.060 177.294 175.328 -0.158 0.000 1.075 433 H CA 1.769 57.675 56.048 -0.237 0.000 1.348 433 H CB -0.308 29.104 29.762 -0.584 0.000 1.393 433 H HN 0.702 nan 8.280 nan 0.000 0.509 434 W N 1.454 122.582 121.300 -0.286 0.000 2.305 434 W HA -0.281 4.379 4.660 -0.000 0.000 0.308 434 W C 2.328 178.784 176.519 -0.105 0.000 1.226 434 W CA 1.627 58.939 57.345 -0.055 0.000 1.253 434 W CB -0.559 28.976 29.460 0.124 0.000 1.146 434 W HN 0.232 nan 8.180 nan 0.000 0.507 435 L N 1.271 122.640 121.223 0.243 0.000 2.046 435 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 435 L C 2.688 179.491 176.870 -0.112 0.000 1.077 435 L CA 2.060 56.966 54.840 0.110 0.000 0.747 435 L CB -1.085 41.170 42.059 0.327 0.000 0.896 435 L HN -0.030 nan 8.230 nan 0.000 0.432 436 R N -1.580 118.846 120.500 -0.123 0.000 2.080 436 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 436 R C 2.215 178.369 176.300 -0.244 0.000 1.137 436 R CA 1.891 57.900 56.100 -0.152 0.000 0.943 436 R CB -0.289 29.939 30.300 -0.120 0.000 0.846 436 R HN 0.321 nan 8.270 nan 0.000 0.431 437 M N -0.330 119.028 119.600 -0.403 0.000 2.108 437 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 437 M C 2.188 178.285 176.300 -0.338 0.000 1.066 437 M CA 1.539 56.620 55.300 -0.365 0.000 1.107 437 M CB -0.516 31.837 32.600 -0.413 0.000 1.356 437 M HN 0.188 nan 8.290 nan 0.000 0.406 438 M N -0.182 119.124 119.600 -0.490 0.000 2.319 438 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 438 M C 1.449 177.572 176.300 -0.296 0.000 1.068 438 M CA 1.303 56.295 55.300 -0.514 0.000 1.118 438 M CB -1.326 30.722 32.600 -0.920 0.000 1.395 438 M HN 0.345 nan 8.290 nan 0.000 0.435 439 T N -2.572 111.851 114.554 -0.220 0.000 3.264 439 T HA 0.303 4.652 4.350 -0.000 0.000 0.257 439 T C 0.421 175.069 174.700 -0.087 0.000 0.976 439 T CA -0.185 61.842 62.100 -0.123 0.000 0.908 439 T CB -0.188 68.632 68.868 -0.080 0.000 1.082 439 T HN 0.210 nan 8.240 nan 0.000 0.567 440 S N 0.000 115.643 115.700 -0.095 0.000 2.498 440 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 440 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 440 S CB 0.000 63.155 63.200 -0.075 0.000 0.593 440 S HN 0.000 nan 8.310 nan 0.000 0.517