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 2ohi_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 K N 3.135 123.544 120.400 0.016 0.000 2.262 2 K HA 0.742 5.062 4.320 -0.000 0.000 0.282 2 K C -0.676 175.945 176.600 0.034 0.000 1.066 2 K CA -0.220 56.079 56.287 0.021 0.000 0.901 2 K CB 1.440 33.955 32.500 0.025 0.000 1.089 2 K HN 0.567 nan 8.250 nan 0.000 0.476 3 A N 2.196 125.033 122.820 0.029 0.000 2.442 3 A HA 0.626 4.946 4.320 -0.000 0.000 0.284 3 A C -0.848 176.768 177.584 0.054 0.000 1.058 3 A CA -0.753 51.315 52.037 0.051 0.000 0.738 3 A CB 1.257 20.279 19.000 0.036 0.000 1.242 3 A HN 0.705 nan 8.150 nan 0.000 0.421 4 A N 1.538 124.416 122.820 0.096 0.000 2.340 4 A HA 0.767 5.087 4.320 -0.000 0.000 0.268 4 A C 0.569 178.256 177.584 0.171 0.000 1.100 4 A CA 0.303 52.408 52.037 0.114 0.000 0.803 4 A CB 0.474 19.545 19.000 0.119 0.000 1.043 4 A HN 2.268 nan 8.150 nan 0.000 0.488 5 A N 2.009 124.933 122.820 0.173 0.000 2.312 5 A HA 0.643 4.963 4.320 -0.000 0.000 0.326 5 A C 0.030 177.830 177.584 0.360 0.000 1.172 5 A CA -0.666 51.526 52.037 0.259 0.000 0.821 5 A CB 0.735 19.837 19.000 0.170 0.000 1.166 5 A HN 0.641 nan 8.150 nan 0.000 0.493 6 K N 1.988 122.652 120.400 0.440 0.000 2.240 6 K HA 0.176 4.496 4.320 -0.000 0.000 0.271 6 K C -0.366 176.324 176.600 0.151 0.000 1.018 6 K CA -0.507 55.946 56.287 0.276 0.000 0.874 6 K CB 0.830 33.446 32.500 0.193 0.000 1.098 6 K HN 0.834 nan 8.250 nan 0.000 0.458 7 R N 5.230 125.695 120.500 -0.059 0.000 2.421 7 R HA 0.055 4.395 4.340 -0.000 0.000 0.305 7 R C 1.003 177.168 176.300 -0.224 0.000 1.039 7 R CA 0.265 56.077 56.100 -0.480 0.000 1.003 7 R CB 0.123 30.145 30.300 -0.465 0.000 0.959 7 R HN 0.728 nan 8.270 nan 0.000 0.427 8 I N -0.603 119.848 120.570 -0.199 0.000 4.323 8 I HA 0.308 4.478 4.170 -0.000 0.000 0.328 8 I C 0.239 176.286 176.117 -0.117 0.000 1.310 8 I CA -0.325 60.915 61.300 -0.099 0.000 1.186 8 I CB 0.735 38.730 38.000 -0.009 0.000 1.130 8 I HN 0.320 nan 8.210 nan 0.000 0.411 9 S N 0.316 115.924 115.700 -0.153 0.000 2.611 9 S HA 0.214 4.684 4.470 -0.000 0.000 0.268 9 S C -1.759 172.776 174.600 -0.110 0.000 1.156 9 S CA -0.670 57.464 58.200 -0.110 0.000 0.817 9 S CB 1.460 64.613 63.200 -0.078 0.000 1.122 9 S HN 0.343 nan 8.310 nan 0.000 0.466 10 D N 1.040 121.409 120.400 -0.052 0.000 2.426 10 D HA 0.417 5.057 4.640 -0.000 0.000 0.261 10 D C 1.358 177.686 176.300 0.046 0.000 1.245 10 D CA 2.058 56.055 54.000 -0.006 0.000 0.917 10 D CB -0.074 40.727 40.800 0.001 0.000 1.123 10 D HN 1.028 nan 8.370 nan 0.000 0.508 11 G N 2.635 111.509 108.800 0.123 0.000 2.175 11 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.265 11 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.265 11 G C 0.214 175.279 174.900 0.275 0.000 0.979 11 G CA 0.487 45.727 45.100 0.233 0.000 0.663 11 G HN 0.595 nan 8.290 nan 0.000 0.533 12 V N 0.277 120.281 119.914 0.150 0.000 2.384 12 V HA 0.685 4.805 4.120 -0.000 0.000 0.287 12 V C -0.376 175.754 176.094 0.060 0.000 1.020 12 V CA -0.897 61.519 62.300 0.192 0.000 0.850 12 V CB 1.198 33.119 31.823 0.164 0.000 0.987 12 V HN 0.244 nan 8.190 nan 0.000 0.436 13 Y N 2.106 122.529 120.300 0.204 0.000 2.425 13 Y HA 0.419 4.969 4.550 -0.000 0.000 0.344 13 Y C -0.416 175.669 175.900 0.308 0.000 0.969 13 Y CA -0.646 57.582 58.100 0.214 0.000 1.052 13 Y CB 1.969 40.500 38.460 0.119 0.000 1.215 13 Y HN 0.761 nan 8.280 nan 0.000 0.451 14 W N 4.329 125.779 121.300 0.249 0.000 2.311 14 W HA 0.415 5.075 4.660 -0.000 0.000 0.310 14 W C 0.043 176.590 176.519 0.046 0.000 1.274 14 W CA -0.462 56.953 57.345 0.116 0.000 1.215 14 W CB 1.081 30.577 29.460 0.061 0.000 1.227 14 W HN 0.510 nan 8.180 nan 0.000 0.523 15 T N 3.220 117.301 114.554 -0.789 0.000 3.584 15 T HA 0.461 4.811 4.350 -0.000 0.000 0.259 15 T C 0.262 174.295 174.700 -1.112 0.000 1.009 15 T CA -0.299 61.319 62.100 -0.805 0.000 1.103 15 T CB -0.318 68.341 68.868 -0.348 0.000 1.099 15 T HN 0.506 nan 8.240 nan 0.000 0.539 16 G N 0.820 108.346 108.800 -2.124 0.000 2.531 16 G HA2 0.650 4.609 3.960 -0.000 0.000 0.281 16 G HA3 0.650 4.609 3.960 -0.000 0.000 0.281 16 G C -0.543 174.027 174.900 -0.551 0.000 1.382 16 G CA -0.379 44.052 45.100 -1.114 0.000 1.045 16 G HN 1.091 nan 8.290 nan 0.000 0.533 17 V N -1.069 118.788 119.914 -0.095 0.000 2.588 17 V HA 0.650 4.770 4.120 -0.000 0.000 0.304 17 V C -0.572 175.500 176.094 -0.036 0.000 1.042 17 V CA -1.020 61.285 62.300 0.008 0.000 0.877 17 V CB 1.379 33.254 31.823 0.088 0.000 0.996 17 V HN 0.555 nan 8.190 nan 0.000 0.425 18 L N 4.999 126.171 121.223 -0.085 0.000 2.283 18 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 18 L C -0.072 176.520 176.870 -0.463 0.000 1.073 18 L CA -0.056 54.553 54.840 -0.386 0.000 0.822 18 L CB 0.777 42.504 42.059 -0.554 0.000 1.186 18 L HN 0.703 nan 8.230 nan 0.000 0.436 19 D N 3.045 123.136 120.400 -0.515 0.000 2.518 19 D HA 0.093 4.733 4.640 -0.000 0.000 0.230 19 D C 0.592 176.742 176.300 -0.250 0.000 1.138 19 D CA -0.370 53.426 54.000 -0.341 0.000 0.964 19 D CB 0.448 40.982 40.800 -0.444 0.000 1.011 19 D HN 0.365 nan 8.370 nan 0.000 0.517 20 W N 1.394 122.662 121.300 -0.053 0.000 2.402 20 W HA -0.065 4.595 4.660 -0.000 0.000 0.286 20 W C 1.589 178.087 176.519 -0.034 0.000 1.221 20 W CA 0.208 57.532 57.345 -0.035 0.000 1.257 20 W CB 0.322 29.774 29.460 -0.014 0.000 1.120 20 W HN 0.280 nan 8.180 nan 0.000 0.551 21 D N -0.444 120.062 120.400 0.177 0.000 2.305 21 D HA 0.010 4.650 4.640 -0.000 0.000 0.206 21 D C 0.673 176.997 176.300 0.040 0.000 0.974 21 D CA 0.279 54.343 54.000 0.107 0.000 0.871 21 D CB -0.394 40.464 40.800 0.096 0.000 0.947 21 D HN -0.043 nan 8.370 nan 0.000 0.516 22 L N 2.182 123.395 121.223 -0.016 0.000 2.584 22 L HA -0.028 4.312 4.340 -0.000 0.000 0.272 22 L C 1.162 178.022 176.870 -0.018 0.000 1.195 22 L CA 0.542 55.347 54.840 -0.057 0.000 0.920 22 L CB 0.360 42.322 42.059 -0.161 0.000 1.173 22 L HN -0.209 nan 8.230 nan 0.000 0.489 23 R N 2.705 123.206 120.500 0.002 0.000 2.316 23 R HA 0.238 4.578 4.340 -0.000 0.000 0.201 23 R C -0.117 176.200 176.300 0.029 0.000 0.888 23 R CA 0.008 56.122 56.100 0.023 0.000 1.041 23 R CB -0.117 30.201 30.300 0.030 0.000 1.115 23 R HN 0.673 nan 8.270 nan 0.000 0.559 24 N N 0.176 118.893 118.700 0.028 0.000 2.430 24 N HA 0.082 4.822 4.740 -0.000 0.000 0.290 24 N C -2.027 173.535 175.510 0.087 0.000 1.063 24 N CA -0.438 52.640 53.050 0.046 0.000 0.883 24 N CB 1.089 39.598 38.487 0.037 0.000 1.465 24 N HN -0.138 nan 8.380 nan 0.000 0.493 25 Y N 5.546 125.753 120.300 -0.156 0.000 2.842 25 Y HA 0.242 4.792 4.550 -0.000 0.000 0.334 25 Y C -0.084 175.514 175.900 -0.502 0.000 1.019 25 Y CA -0.903 57.023 58.100 -0.291 0.000 1.258 25 Y CB -0.688 37.486 38.460 -0.478 0.000 1.106 25 Y HN 0.799 nan 8.280 nan 0.000 0.545 26 H N 2.283 121.374 119.070 0.035 0.000 2.770 26 H HA -0.199 4.357 4.556 -0.000 0.000 0.309 26 H C 0.784 176.097 175.328 -0.026 0.000 1.206 26 H CA 0.790 56.809 56.048 -0.048 0.000 1.147 26 H CB -1.715 27.947 29.762 -0.166 0.000 1.422 26 H HN 1.230 nan 8.280 nan 0.000 0.420 27 G N -0.065 108.739 108.800 0.008 0.000 2.160 27 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.244 27 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.244 27 G C -0.328 174.545 174.900 -0.046 0.000 1.022 27 G CA 0.362 45.444 45.100 -0.029 0.000 0.741 27 G HN 0.959 nan 8.290 nan 0.000 0.508 28 Y N 1.990 122.157 120.300 -0.220 0.000 2.328 28 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 28 Y C 0.839 176.666 175.900 -0.123 0.000 0.958 28 Y CA -0.242 57.745 58.100 -0.188 0.000 1.167 28 Y CB 1.294 39.564 38.460 -0.317 0.000 1.151 28 Y HN 0.346 nan 8.280 nan 0.000 0.470 29 T N 5.303 119.798 114.554 -0.098 0.000 2.897 29 T HA 0.632 4.982 4.350 -0.000 0.000 0.294 29 T C -0.780 173.969 174.700 0.081 0.000 1.004 29 T CA -0.460 61.633 62.100 -0.012 0.000 1.106 29 T CB 1.103 69.937 68.868 -0.057 0.000 0.949 29 T HN 0.557 nan 8.240 nan 0.000 0.520 30 L N -0.335 120.956 121.223 0.112 0.000 2.775 30 L HA 0.527 4.867 4.340 -0.000 0.000 0.263 30 L C -0.598 176.327 176.870 0.090 0.000 1.017 30 L CA -1.007 53.921 54.840 0.147 0.000 0.891 30 L CB 1.623 43.798 42.059 0.193 0.000 1.482 30 L HN 0.396 nan 8.230 nan 0.000 0.410 31 Q N 1.294 121.152 119.800 0.097 0.000 2.923 31 Q HA 0.553 4.893 4.340 -0.000 0.000 0.363 31 Q C 0.118 176.162 176.000 0.074 0.000 1.159 31 Q CA 0.523 56.377 55.803 0.085 0.000 1.073 31 Q CB 0.917 29.712 28.738 0.095 0.000 1.364 31 Q HN 1.090 nan 8.270 nan 0.000 0.466 32 G N 0.665 109.485 108.800 0.033 0.000 2.730 32 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.686 32 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.686 32 G C -0.522 174.335 174.900 -0.072 0.000 1.343 32 G CA -0.119 44.963 45.100 -0.030 0.000 0.826 32 G HN 0.380 nan 8.290 nan 0.000 0.582 33 T N -1.153 113.289 114.554 -0.187 0.000 2.681 33 T HA 0.916 5.266 4.350 -0.000 0.000 0.296 33 T C 0.103 174.599 174.700 -0.339 0.000 1.157 33 T CA 0.946 62.957 62.100 -0.149 0.000 1.025 33 T CB 1.634 70.509 68.868 0.012 0.000 1.441 33 T HN 2.211 nan 8.240 nan 0.000 0.504 34 T N 0.516 114.945 114.554 -0.207 0.000 2.876 34 T HA 0.693 5.043 4.350 -0.000 0.000 0.289 34 T C -1.677 172.937 174.700 -0.143 0.000 1.014 34 T CA -0.602 61.338 62.100 -0.267 0.000 0.986 34 T CB 0.947 69.771 68.868 -0.073 0.000 1.021 34 T HN 0.443 nan 8.240 nan 0.000 0.458 35 Y N 1.845 122.227 120.300 0.136 0.000 2.434 35 Y HA 0.445 4.995 4.550 -0.000 0.000 0.341 35 Y C 0.329 176.263 175.900 0.056 0.000 0.965 35 Y CA -1.736 56.428 58.100 0.106 0.000 1.205 35 Y CB 0.249 38.755 38.460 0.077 0.000 1.121 35 Y HN 0.557 nan 8.280 nan 0.000 0.507 36 N N 2.790 121.586 118.700 0.160 0.000 2.406 36 N HA 0.502 5.242 4.740 -0.000 0.000 0.251 36 N C -0.411 174.947 175.510 -0.253 0.000 1.069 36 N CA -0.151 52.889 53.050 -0.016 0.000 0.947 36 N CB 1.293 39.819 38.487 0.066 0.000 1.111 36 N HN 0.702 nan 8.380 nan 0.000 0.497 37 A N 2.734 125.250 122.820 -0.506 0.000 2.340 37 A HA 0.754 5.074 4.320 -0.000 0.000 0.331 37 A C -1.251 175.930 177.584 -0.671 0.000 1.140 37 A CA -0.512 51.276 52.037 -0.414 0.000 0.801 37 A CB 0.820 19.668 19.000 -0.255 0.000 1.234 37 A HN 0.587 nan 8.150 nan 0.000 0.469 38 Y N -0.003 120.271 120.300 -0.044 0.000 2.512 38 Y HA 0.594 5.144 4.550 -0.000 0.000 0.348 38 Y C -0.523 175.343 175.900 -0.057 0.000 0.990 38 Y CA -0.723 57.385 58.100 0.014 0.000 1.033 38 Y CB 2.229 40.775 38.460 0.143 0.000 1.259 38 Y HN 0.585 nan 8.280 nan 0.000 0.461 39 L N 3.316 124.646 121.223 0.179 0.000 2.325 39 L HA 0.737 5.077 4.340 -0.000 0.000 0.281 39 L C -1.365 175.591 176.870 0.143 0.000 1.004 39 L CA -0.538 54.356 54.840 0.091 0.000 0.823 39 L CB 1.216 43.305 42.059 0.050 0.000 1.236 39 L HN 0.478 nan 8.230 nan 0.000 0.415 40 V N 3.933 123.874 119.914 0.044 0.000 2.459 40 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 40 V C -0.710 175.413 176.094 0.049 0.000 1.029 40 V CA -0.525 61.811 62.300 0.060 0.000 0.874 40 V CB 1.571 33.374 31.823 -0.033 0.000 0.985 40 V HN 0.852 nan 8.190 nan 0.000 0.438 41 C N 4.070 123.418 119.300 0.080 0.000 2.381 41 C HA 0.765 5.225 4.460 -0.000 0.000 0.328 41 C C 1.177 176.198 174.990 0.052 0.000 1.190 41 C CA -0.454 58.597 59.018 0.056 0.000 1.369 41 C CB 0.548 28.320 27.740 0.054 0.000 2.029 41 C HN 1.057 nan 8.230 nan 0.000 0.448 42 G N 1.325 110.148 108.800 0.038 0.000 3.229 42 G HA2 0.263 4.223 3.960 -0.000 0.000 0.165 42 G HA3 0.263 4.223 3.960 -0.000 0.000 0.165 42 G C 0.361 175.280 174.900 0.031 0.000 1.753 42 G CA 0.386 45.505 45.100 0.032 0.000 1.054 42 G HN 0.677 nan 8.290 nan 0.000 0.544 43 D N -1.620 118.797 120.400 0.029 0.000 2.486 43 D HA 0.076 4.715 4.640 -0.000 0.000 0.243 43 D C 1.701 178.016 176.300 0.025 0.000 1.146 43 D CA 0.089 54.103 54.000 0.023 0.000 0.821 43 D CB 1.319 42.131 40.800 0.021 0.000 1.201 43 D HN 0.415 nan 8.370 nan 0.000 0.525 44 E N 0.982 121.205 120.200 0.038 0.000 2.057 44 E HA 0.195 4.545 4.350 -0.000 0.000 0.190 44 E C 0.816 177.446 176.600 0.050 0.000 0.969 44 E CA 0.598 57.028 56.400 0.049 0.000 0.812 44 E CB 0.507 30.251 29.700 0.072 0.000 0.777 44 E HN 0.140 nan 8.360 nan 0.000 0.455 45 G N -0.614 108.235 108.800 0.081 0.000 2.682 45 G HA2 0.470 4.430 3.960 -0.000 0.000 0.290 45 G HA3 0.470 4.430 3.960 -0.000 0.000 0.290 45 G C -1.567 173.377 174.900 0.073 0.000 1.425 45 G CA -0.241 44.895 45.100 0.060 0.000 0.807 45 G HN 0.396 nan 8.290 nan 0.000 0.482 46 V N -1.746 118.177 119.914 0.015 0.000 2.540 46 V HA 0.906 5.026 4.120 -0.000 0.000 0.302 46 V C 0.144 176.261 176.094 0.038 0.000 1.035 46 V CA -0.362 61.943 62.300 0.008 0.000 0.873 46 V CB 1.113 32.899 31.823 -0.062 0.000 0.992 46 V HN 1.758 nan 8.190 nan 0.000 0.428 47 A N 5.390 128.241 122.820 0.051 0.000 2.301 47 A HA 0.818 5.138 4.320 -0.000 0.000 0.312 47 A C -0.685 176.880 177.584 -0.032 0.000 1.182 47 A CA -0.624 51.439 52.037 0.043 0.000 0.826 47 A CB 1.196 20.184 19.000 -0.019 0.000 1.134 47 A HN 1.496 nan 8.150 nan 0.000 0.501 48 L N 3.583 124.790 121.223 -0.026 0.000 2.280 48 L HA 0.538 4.877 4.340 -0.000 0.000 0.287 48 L C -0.754 176.112 176.870 -0.007 0.000 1.023 48 L CA -0.108 54.712 54.840 -0.034 0.000 0.819 48 L CB 0.591 42.625 42.059 -0.042 0.000 1.212 48 L HN 0.582 nan 8.230 nan 0.000 0.420 49 I N 6.119 126.667 120.570 -0.036 0.000 2.291 49 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 49 I C -0.416 175.743 176.117 0.070 0.000 1.064 49 I CA -0.347 60.942 61.300 -0.019 0.000 1.269 49 I CB 0.065 37.931 38.000 -0.223 0.000 1.418 49 I HN 0.690 nan 8.210 nan 0.000 0.485 50 D N 4.078 124.537 120.400 0.099 0.000 9.601 50 D HA -0.199 4.441 4.640 -0.000 0.000 0.351 50 D C -0.467 175.884 176.300 0.084 0.000 2.917 50 D CA 0.766 54.838 54.000 0.120 0.000 2.218 50 D CB -0.169 40.712 40.800 0.136 0.000 1.166 50 D HN 0.758 nan 8.370 nan 0.000 1.105 51 N N -1.402 117.364 118.700 0.110 0.000 3.249 51 N HA 0.540 5.280 4.740 -0.000 0.000 0.254 51 N C -0.514 175.055 175.510 0.098 0.000 1.527 51 N CA 0.154 53.247 53.050 0.072 0.000 0.919 51 N CB 0.755 39.286 38.487 0.074 0.000 3.007 51 N HN 0.666 nan 8.380 nan 0.000 0.380 52 S N -1.997 113.739 115.700 0.061 0.000 2.688 52 S HA 0.389 4.859 4.470 -0.000 0.000 0.275 52 S C -1.267 173.271 174.600 -0.104 0.000 1.175 52 S CA -0.831 57.377 58.200 0.013 0.000 0.818 52 S CB 0.890 64.171 63.200 0.135 0.000 1.157 52 S HN 0.491 nan 8.310 nan 0.000 0.482 53 Y N 3.467 123.482 120.300 -0.475 0.000 2.578 53 Y HA 0.330 4.880 4.550 -0.000 0.000 0.339 53 Y C -2.220 173.604 175.900 -0.127 0.000 1.231 53 Y CA -0.837 57.010 58.100 -0.422 0.000 1.461 53 Y CB 0.492 38.526 38.460 -0.710 0.000 1.323 53 Y HN 0.455 nan 8.280 nan 0.000 0.590 54 P HA 0.094 nan 4.420 nan 0.000 0.269 54 P C 0.346 177.605 177.300 -0.068 0.000 1.209 54 P CA 1.316 64.251 63.100 -0.276 0.000 0.776 54 P CB 0.749 32.248 31.700 -0.335 0.000 0.876 55 G N 1.721 110.537 108.800 0.027 0.000 2.157 55 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 55 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 55 G C 0.504 175.496 174.900 0.153 0.000 0.979 55 G CA 0.536 45.696 45.100 0.100 0.000 0.650 55 G HN 0.793 nan 8.290 nan 0.000 0.529 56 T N -2.638 112.016 114.554 0.167 0.000 3.174 56 T HA 0.441 4.791 4.350 -0.000 0.000 0.269 56 T C 1.504 176.288 174.700 0.139 0.000 1.017 56 T CA 0.605 62.805 62.100 0.166 0.000 0.899 56 T CB -0.036 68.956 68.868 0.207 0.000 1.077 56 T HN 0.562 nan 8.240 nan 0.000 0.552 57 F N 2.928 122.887 119.950 0.015 0.000 2.171 57 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 57 F C 1.555 177.351 175.800 -0.006 0.000 1.090 57 F CA 1.371 59.367 58.000 -0.007 0.000 1.293 57 F CB -0.199 38.785 39.000 -0.027 0.000 1.013 57 F HN 0.112 nan 8.300 nan 0.000 0.486 58 D N 0.288 120.665 120.400 -0.039 0.000 2.117 58 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 58 D C 2.140 178.342 176.300 -0.163 0.000 0.987 58 D CA 1.650 55.574 54.000 -0.127 0.000 0.829 58 D CB -0.437 40.370 40.800 0.013 0.000 0.961 58 D HN 0.549 nan 8.370 nan 0.000 0.460 59 E N 0.363 120.511 120.200 -0.087 0.000 2.072 59 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 59 E C 2.326 178.831 176.600 -0.159 0.000 0.985 59 E CA 0.427 56.781 56.400 -0.078 0.000 0.801 59 E CB -0.097 29.597 29.700 -0.010 0.000 0.750 59 E HN 0.166 nan 8.360 nan 0.000 0.452 60 L N 0.111 121.217 121.223 -0.196 0.000 2.005 60 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 60 L C 2.508 179.200 176.870 -0.296 0.000 1.072 60 L CA 1.584 56.283 54.840 -0.235 0.000 0.744 60 L CB -0.259 41.703 42.059 -0.161 0.000 0.895 60 L HN 0.264 nan 8.230 nan 0.000 0.433 61 M N -0.029 119.272 119.600 -0.497 0.000 2.213 61 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 61 M C 2.119 178.255 176.300 -0.272 0.000 1.062 61 M CA 1.798 56.801 55.300 -0.496 0.000 1.105 61 M CB -0.627 31.362 32.600 -1.019 0.000 1.385 61 M HN 0.386 nan 8.290 nan 0.000 0.417 62 A N 0.008 122.689 122.820 -0.231 0.000 1.902 62 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 62 A C 2.284 179.808 177.584 -0.100 0.000 1.181 62 A CA 1.693 53.653 52.037 -0.129 0.000 0.623 62 A CB -0.529 18.417 19.000 -0.089 0.000 0.818 62 A HN 0.558 nan 8.150 nan 0.000 0.443 63 R N -0.387 120.035 120.500 -0.129 0.000 2.062 63 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 63 R C 2.190 178.424 176.300 -0.110 0.000 1.128 63 R CA 1.540 57.569 56.100 -0.118 0.000 0.960 63 R CB -0.834 29.338 30.300 -0.214 0.000 0.855 63 R HN 0.590 nan 8.270 nan 0.000 0.432 64 V N -0.417 119.422 119.914 -0.126 0.000 2.594 64 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 64 V C 1.666 177.724 176.094 -0.060 0.000 1.069 64 V CA 1.687 63.934 62.300 -0.088 0.000 1.082 64 V CB -0.459 31.335 31.823 -0.048 0.000 0.680 64 V HN 0.236 nan 8.190 nan 0.000 0.469 65 E N 0.418 120.587 120.200 -0.052 0.000 2.072 65 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 65 E C 1.947 178.517 176.600 -0.050 0.000 0.985 65 E CA 1.584 57.964 56.400 -0.034 0.000 0.801 65 E CB -0.179 29.498 29.700 -0.039 0.000 0.750 65 E HN 0.767 nan 8.360 nan 0.000 0.452 66 D N 0.374 120.742 120.400 -0.053 0.000 2.084 66 D HA -0.113 4.526 4.640 -0.000 0.000 0.196 66 D C 1.910 178.148 176.300 -0.103 0.000 0.985 66 D CA 1.558 55.531 54.000 -0.045 0.000 0.826 66 D CB -0.080 40.717 40.800 -0.005 0.000 0.978 66 D HN 0.124 nan 8.370 nan 0.000 0.456 67 A N 0.073 122.801 122.820 -0.154 0.000 1.940 67 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 67 A C 2.421 179.766 177.584 -0.398 0.000 1.176 67 A CA 1.184 52.984 52.037 -0.396 0.000 0.631 67 A CB -0.878 17.926 19.000 -0.325 0.000 0.814 67 A HN 0.385 nan 8.150 nan 0.000 0.446 68 L N -0.833 120.263 121.223 -0.211 0.000 2.141 68 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 68 L C 2.869 179.667 176.870 -0.119 0.000 1.094 68 L CA 1.634 56.384 54.840 -0.149 0.000 0.763 68 L CB -0.408 41.605 42.059 -0.076 0.000 0.908 68 L HN 0.642 nan 8.230 nan 0.000 0.437 69 Q N 0.040 119.779 119.800 -0.101 0.000 2.016 69 Q HA -0.252 4.088 4.340 -0.000 0.000 0.200 69 Q C 2.167 178.123 176.000 -0.072 0.000 0.978 69 Q CA 1.592 57.356 55.803 -0.065 0.000 0.833 69 Q CB -0.062 28.651 28.738 -0.042 0.000 0.895 69 Q HN 0.532 nan 8.270 nan 0.000 0.427 70 Q N -0.391 119.343 119.800 -0.110 0.000 2.135 70 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 70 Q C 2.069 178.026 176.000 -0.071 0.000 0.981 70 Q CA 1.794 57.551 55.803 -0.077 0.000 0.856 70 Q CB 0.191 28.879 28.738 -0.083 0.000 0.902 70 Q HN 0.319 nan 8.270 nan 0.000 0.425 71 V N -1.151 118.667 119.914 -0.159 0.000 3.052 71 V HA 0.091 4.211 4.120 -0.000 0.000 0.254 71 V C 1.154 177.220 176.094 -0.047 0.000 1.100 71 V CA 0.878 63.127 62.300 -0.085 0.000 1.112 71 V CB -0.036 31.710 31.823 -0.129 0.000 0.738 71 V HN 0.545 nan 8.190 nan 0.000 0.469 72 G N 1.132 109.898 108.800 -0.057 0.000 2.248 72 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.263 72 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.263 72 G C -0.203 174.678 174.900 -0.032 0.000 1.082 72 G CA 0.181 45.261 45.100 -0.033 0.000 0.863 72 G HN 0.250 nan 8.290 nan 0.000 0.495 73 M N -0.523 119.049 119.600 -0.047 0.000 2.644 73 M HA 0.468 4.948 4.480 -0.000 0.000 0.316 73 M C 1.145 177.426 176.300 -0.032 0.000 1.200 73 M CA -0.971 54.304 55.300 -0.042 0.000 0.944 73 M CB 1.206 33.770 32.600 -0.060 0.000 1.691 73 M HN 0.088 nan 8.290 nan 0.000 0.471 74 E N 1.730 121.916 120.200 -0.023 0.000 2.021 74 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 74 E C 0.531 177.148 176.600 0.028 0.000 0.980 74 E CA 1.071 57.472 56.400 0.002 0.000 0.803 74 E CB 0.359 30.061 29.700 0.002 0.000 0.766 74 E HN 0.658 nan 8.360 nan 0.000 0.449 75 R N -0.915 119.571 120.500 -0.023 0.000 2.781 75 R HA 0.451 4.790 4.340 -0.000 0.000 0.268 75 R C -1.054 175.022 176.300 -0.372 0.000 1.047 75 R CA -0.691 55.374 56.100 -0.057 0.000 0.925 75 R CB 0.905 31.269 30.300 0.107 0.000 1.246 75 R HN -0.179 nan 8.270 nan 0.000 0.456 76 V N 2.018 121.347 119.914 -0.975 0.000 2.432 76 V HA 0.107 4.227 4.120 -0.000 0.000 0.271 76 V C 0.254 176.022 176.094 -0.543 0.000 1.046 76 V CA -0.006 61.791 62.300 -0.839 0.000 0.945 76 V CB 1.215 32.360 31.823 -1.130 0.000 0.992 76 V HN 0.768 nan 8.190 nan 0.000 0.471 77 D N 2.806 122.960 120.400 -0.411 0.000 2.301 77 D HA 0.064 4.704 4.640 -0.000 0.000 0.206 77 D C -0.475 175.413 176.300 -0.688 0.000 0.979 77 D CA 1.162 54.825 54.000 -0.561 0.000 0.874 77 D CB 0.587 40.945 40.800 -0.737 0.000 0.968 77 D HN 0.575 nan 8.370 nan 0.000 0.510 78 Y N 0.372 120.648 120.300 -0.039 0.000 2.346 78 Y HA 0.422 4.971 4.550 -0.000 0.000 0.332 78 Y C -0.122 175.796 175.900 0.031 0.000 0.985 78 Y CA -0.746 57.384 58.100 0.049 0.000 1.112 78 Y CB 1.427 39.880 38.460 -0.012 0.000 1.170 78 Y HN -0.290 nan 8.280 nan 0.000 0.447 79 I N 5.104 125.815 120.570 0.234 0.000 2.321 79 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 79 I C -0.417 175.833 176.117 0.221 0.000 0.998 79 I CA -0.365 61.031 61.300 0.159 0.000 1.227 79 I CB 0.885 38.949 38.000 0.106 0.000 1.368 79 I HN 0.484 nan 8.210 nan 0.000 0.466 80 I N 6.197 126.872 120.570 0.175 0.000 2.354 80 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 80 I C -0.271 175.952 176.117 0.177 0.000 0.989 80 I CA -0.634 60.787 61.300 0.202 0.000 1.188 80 I CB 1.359 39.472 38.000 0.189 0.000 1.342 80 I HN 0.477 nan 8.210 nan 0.000 0.457 81 Q N 5.799 125.713 119.800 0.191 0.000 2.456 81 Q HA 0.320 4.659 4.340 -0.000 0.000 0.252 81 Q C 0.190 176.312 176.000 0.204 0.000 1.042 81 Q CA -0.145 55.772 55.803 0.189 0.000 0.766 81 Q CB 1.391 30.244 28.738 0.192 0.000 1.196 81 Q HN 0.667 nan 8.270 nan 0.000 0.504 82 N N 0.553 119.388 118.700 0.226 0.000 2.142 82 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 82 N C 0.036 175.725 175.510 0.300 0.000 1.023 82 N CA 0.957 54.162 53.050 0.258 0.000 0.852 82 N CB 0.241 38.888 38.487 0.266 0.000 0.998 82 N HN 0.363 nan 8.380 nan 0.000 0.424 83 H N -0.916 118.244 119.070 0.150 0.000 2.894 83 H HA 0.198 4.754 4.556 -0.000 0.000 0.367 83 H C 0.299 175.722 175.328 0.158 0.000 1.144 83 H CA -0.872 55.262 56.048 0.144 0.000 1.180 83 H CB 1.516 31.332 29.762 0.091 0.000 1.758 83 H HN -0.154 nan 8.280 nan 0.000 0.541 84 V N 1.005 120.854 119.914 -0.109 0.000 3.235 84 V HA 0.198 4.318 4.120 -0.000 0.000 0.259 84 V C 0.873 176.834 176.094 -0.222 0.000 1.133 84 V CA 0.588 62.842 62.300 -0.077 0.000 1.128 84 V CB -0.546 31.308 31.823 0.051 0.000 0.757 84 V HN 0.738 nan 8.190 nan 0.000 0.469 85 E N 0.930 120.821 120.200 -0.515 0.000 2.459 85 E HA -0.069 4.281 4.350 -0.000 0.000 0.264 85 E C 1.156 177.685 176.600 -0.118 0.000 1.055 85 E CA 0.189 56.396 56.400 -0.321 0.000 0.957 85 E CB 0.526 29.852 29.700 -0.624 0.000 0.952 85 E HN 0.390 nan 8.360 nan 0.000 0.448 86 K N 1.237 121.633 120.400 -0.007 0.000 2.160 86 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 86 K C 0.905 177.451 176.600 -0.089 0.000 1.047 86 K CA 1.832 58.121 56.287 0.004 0.000 0.930 86 K CB 0.015 32.571 32.500 0.093 0.000 0.720 86 K HN 0.503 nan 8.250 nan 0.000 0.450 87 D N -1.567 118.733 120.400 -0.167 0.000 2.325 87 D HA -0.067 4.573 4.640 -0.000 0.000 0.225 87 D C 0.682 176.531 176.300 -0.752 0.000 1.096 87 D CA 0.505 54.218 54.000 -0.479 0.000 0.844 87 D CB 0.055 40.590 40.800 -0.442 0.000 0.925 87 D HN 0.313 nan 8.370 nan 0.000 0.513 88 H N -0.884 118.189 119.070 0.004 0.000 3.876 88 H HA 0.159 4.715 4.556 -0.000 0.000 0.262 88 H C 1.035 176.384 175.328 0.035 0.000 1.158 88 H CA 0.667 56.736 56.048 0.035 0.000 1.170 88 H CB 0.656 30.472 29.762 0.090 0.000 1.528 88 H HN 0.242 nan 8.280 nan 0.000 0.689 89 S N -0.219 115.533 115.700 0.085 0.000 2.603 89 S HA 0.152 4.622 4.470 -0.000 0.000 0.232 89 S C 2.033 176.657 174.600 0.040 0.000 1.016 89 S CA 0.402 58.658 58.200 0.093 0.000 0.976 89 S CB 0.261 63.544 63.200 0.138 0.000 0.921 89 S HN 0.241 nan 8.310 nan 0.000 0.516 90 G N 2.337 111.130 108.800 -0.011 0.000 2.475 90 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 90 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 90 G C 1.181 176.005 174.900 -0.126 0.000 1.125 90 G CA 1.472 46.531 45.100 -0.070 0.000 0.755 90 G HN 1.219 nan 8.290 nan 0.000 0.565 91 V N -1.870 117.995 119.914 -0.082 0.000 3.121 91 V HA 0.480 4.600 4.120 -0.000 0.000 0.344 91 V C 1.845 177.885 176.094 -0.089 0.000 1.390 91 V CA -0.124 62.141 62.300 -0.058 0.000 1.177 91 V CB 0.344 32.251 31.823 0.139 0.000 1.163 91 V HN 0.106 nan 8.190 nan 0.000 0.484 92 L N 0.729 121.842 121.223 -0.183 0.000 2.046 92 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 92 L C 2.497 179.270 176.870 -0.161 0.000 1.077 92 L CA 2.540 57.299 54.840 -0.135 0.000 0.747 92 L CB -0.359 41.619 42.059 -0.134 0.000 0.896 92 L HN 0.275 nan 8.230 nan 0.000 0.432 93 V N -0.371 119.344 119.914 -0.332 0.000 2.324 93 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 93 V C 2.373 178.353 176.094 -0.191 0.000 1.060 93 V CA 2.445 64.608 62.300 -0.229 0.000 1.042 93 V CB -0.360 31.288 31.823 -0.293 0.000 0.650 93 V HN 0.681 nan 8.190 nan 0.000 0.450 94 E N -0.332 119.692 120.200 -0.294 0.000 2.106 94 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 94 E C 2.211 178.590 176.600 -0.368 0.000 0.984 94 E CA 1.423 57.514 56.400 -0.515 0.000 0.806 94 E CB -0.179 28.925 29.700 -0.992 0.000 0.750 94 E HN 0.596 nan 8.360 nan 0.000 0.458 95 L N 0.396 121.586 121.223 -0.055 0.000 2.093 95 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 95 L C 2.676 179.644 176.870 0.162 0.000 1.085 95 L CA 1.135 56.087 54.840 0.187 0.000 0.755 95 L CB -0.439 41.776 42.059 0.260 0.000 0.904 95 L HN 0.304 nan 8.230 nan 0.000 0.435 96 H N 0.028 119.082 119.070 -0.026 0.000 2.457 96 H HA -0.139 4.417 4.556 -0.000 0.000 0.294 96 H C 2.412 177.697 175.328 -0.071 0.000 1.064 96 H CA 1.014 57.038 56.048 -0.041 0.000 1.330 96 H CB 0.364 30.071 29.762 -0.092 0.000 1.395 96 H HN 0.205 nan 8.280 nan 0.000 0.541 97 R N 0.369 120.736 120.500 -0.221 0.000 2.090 97 R HA -0.105 4.235 4.340 -0.000 0.000 0.228 97 R C 2.373 178.521 176.300 -0.253 0.000 1.110 97 R CA 1.188 57.117 56.100 -0.286 0.000 0.973 97 R CB 0.030 30.168 30.300 -0.269 0.000 0.869 97 R HN 0.140 nan 8.270 nan 0.000 0.440 98 R N -0.580 119.773 120.500 -0.246 0.000 2.173 98 R HA 0.030 4.370 4.340 -0.000 0.000 0.208 98 R C -0.464 175.478 176.300 -0.596 0.000 1.035 98 R CA 0.997 56.871 56.100 -0.376 0.000 1.004 98 R CB 0.299 30.418 30.300 -0.301 0.000 0.917 98 R HN 0.037 nan 8.270 nan 0.000 0.462 99 F N 0.335 120.278 119.950 -0.012 0.000 2.660 99 F HA 0.419 4.946 4.527 -0.000 0.000 0.352 99 F C -1.909 173.879 175.800 -0.020 0.000 1.257 99 F CA -2.647 55.346 58.000 -0.012 0.000 1.200 99 F CB 2.126 41.131 39.000 0.009 0.000 1.473 99 F HN -0.041 nan 8.300 nan 0.000 0.561 100 P HA -0.079 nan 4.420 nan 0.000 0.233 100 P C 0.632 177.963 177.300 0.053 0.000 1.167 100 P CA 0.967 64.039 63.100 -0.046 0.000 0.770 100 P CB 0.302 31.932 31.700 -0.117 0.000 0.837 101 E N -0.845 119.398 120.200 0.071 0.000 2.585 101 E HA 0.371 4.721 4.350 -0.000 0.000 0.206 101 E C -0.188 176.427 176.600 0.025 0.000 1.007 101 E CA -0.574 55.854 56.400 0.046 0.000 1.028 101 E CB 0.246 29.956 29.700 0.017 0.000 1.087 101 E HN -0.025 nan 8.360 nan 0.000 0.455 102 A N 3.096 125.952 122.820 0.060 0.000 2.253 102 A HA 0.465 4.785 4.320 -0.000 0.000 0.316 102 A C -2.347 175.256 177.584 0.031 0.000 1.327 102 A CA -1.708 50.336 52.037 0.011 0.000 0.917 102 A CB 0.304 19.312 19.000 0.014 0.000 1.162 102 A HN -0.014 nan 8.150 nan 0.000 0.535 103 P HA 0.039 nan 4.420 nan 0.000 0.262 103 P C -0.468 176.861 177.300 0.048 0.000 1.199 103 P CA 0.615 63.721 63.100 0.010 0.000 0.763 103 P CB 0.285 32.032 31.700 0.078 0.000 0.790 104 I N 4.725 125.192 120.570 -0.173 0.000 2.363 104 I HA 0.089 4.258 4.170 -0.000 0.000 0.292 104 I C 0.396 176.492 176.117 -0.035 0.000 1.075 104 I CA -0.261 60.966 61.300 -0.122 0.000 1.333 104 I CB -0.249 37.488 38.000 -0.438 0.000 1.415 104 I HN 0.292 nan 8.210 nan 0.000 0.502 105 Y N 6.213 126.534 120.300 0.034 0.000 2.328 105 Y HA 0.496 5.046 4.550 -0.000 0.000 0.337 105 Y C 0.484 176.357 175.900 -0.045 0.000 1.008 105 Y CA -0.252 57.827 58.100 -0.034 0.000 1.129 105 Y CB 1.324 39.728 38.460 -0.093 0.000 1.185 105 Y HN 0.750 nan 8.280 nan 0.000 0.476 106 C N -0.657 118.664 119.300 0.033 0.000 3.253 106 C HA 0.659 5.119 4.460 -0.000 0.000 0.362 106 C C 0.209 175.175 174.990 -0.040 0.000 1.487 106 C CA -0.745 58.283 59.018 0.018 0.000 1.179 106 C CB 0.734 28.540 27.740 0.110 0.000 1.660 106 C HN 0.884 nan 8.230 nan 0.000 0.438 107 T N -1.371 113.182 114.554 -0.003 0.000 2.726 107 T HA 0.258 4.608 4.350 -0.000 0.000 0.294 107 T C 0.810 175.493 174.700 -0.030 0.000 1.013 107 T CA 0.921 63.015 62.100 -0.010 0.000 0.996 107 T CB 0.507 69.390 68.868 0.025 0.000 1.016 107 T HN 0.948 nan 8.240 nan 0.000 0.529 108 E N -0.390 119.790 120.200 -0.033 0.000 2.006 108 E HA -0.119 4.230 4.350 -0.000 0.000 0.192 108 E C 2.220 178.781 176.600 -0.065 0.000 0.993 108 E CA 1.263 57.631 56.400 -0.053 0.000 0.808 108 E CB -0.314 29.362 29.700 -0.040 0.000 0.764 108 E HN 0.526 nan 8.360 nan 0.000 0.449 109 V N 1.551 121.442 119.914 -0.038 0.000 2.380 109 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 109 V C 2.463 178.536 176.094 -0.035 0.000 1.063 109 V CA 1.911 64.189 62.300 -0.037 0.000 1.055 109 V CB -0.865 30.948 31.823 -0.018 0.000 0.657 109 V HN 0.409 nan 8.190 nan 0.000 0.455 110 A N -0.411 122.403 122.820 -0.009 0.000 2.019 110 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 110 A C 2.358 179.898 177.584 -0.073 0.000 1.164 110 A CA 1.767 53.812 52.037 0.013 0.000 0.644 110 A CB -0.527 18.517 19.000 0.073 0.000 0.805 110 A HN 0.371 nan 8.150 nan 0.000 0.449 111 V N 0.771 120.576 119.914 -0.182 0.000 2.233 111 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 111 V C 2.493 178.372 176.094 -0.358 0.000 1.050 111 V CA 2.230 64.263 62.300 -0.446 0.000 1.010 111 V CB -0.635 30.888 31.823 -0.499 0.000 0.637 111 V HN 0.465 nan 8.190 nan 0.000 0.444 112 K N 0.794 121.067 120.400 -0.211 0.000 2.147 112 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 112 K C 2.229 178.782 176.600 -0.079 0.000 1.049 112 K CA 1.528 57.731 56.287 -0.140 0.000 0.936 112 K CB -1.160 31.277 32.500 -0.105 0.000 0.722 112 K HN 0.556 nan 8.250 nan 0.000 0.446 113 G N 1.600 110.377 108.800 -0.038 0.000 2.421 113 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 113 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 113 G C 1.451 176.437 174.900 0.143 0.000 1.171 113 G CA 0.290 45.427 45.100 0.062 0.000 0.775 113 G HN 0.110 nan 8.290 nan 0.000 0.543 114 L N 0.314 121.569 121.223 0.053 0.000 2.191 114 L HA 0.058 4.398 4.340 -0.000 0.000 0.212 114 L C 2.635 179.597 176.870 0.153 0.000 1.103 114 L CA 0.747 55.662 54.840 0.125 0.000 0.769 114 L CB -0.573 41.594 42.059 0.182 0.000 0.908 114 L HN 0.113 nan 8.230 nan 0.000 0.438 115 L N -1.219 120.022 121.223 0.030 0.000 2.162 115 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 115 L C 2.396 179.271 176.870 0.008 0.000 1.086 115 L CA 1.080 55.944 54.840 0.040 0.000 0.778 115 L CB -0.937 41.099 42.059 -0.038 0.000 0.928 115 L HN 0.210 nan 8.230 nan 0.000 0.446 116 K N -0.238 120.142 120.400 -0.034 0.000 2.097 116 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 116 K C 2.123 178.594 176.600 -0.215 0.000 1.050 116 K CA 1.479 57.698 56.287 -0.113 0.000 0.938 116 K CB -0.176 32.239 32.500 -0.142 0.000 0.718 116 K HN 0.323 nan 8.250 nan 0.000 0.442 117 H N -1.981 116.895 119.070 -0.324 0.000 2.363 117 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 117 H C -0.131 174.786 175.328 -0.685 0.000 1.074 117 H CA 1.614 57.270 56.048 -0.653 0.000 1.354 117 H CB 0.078 29.152 29.762 -1.148 0.000 1.397 117 H HN 0.080 nan 8.280 nan 0.000 0.516 118 Y N -1.042 119.350 120.300 0.153 0.000 2.749 118 Y HA 0.280 4.830 4.550 -0.000 0.000 0.343 118 Y C -1.950 173.999 175.900 0.082 0.000 1.015 118 Y CA -3.312 54.848 58.100 0.100 0.000 1.270 118 Y CB 1.045 39.569 38.460 0.105 0.000 1.097 118 Y HN 0.009 nan 8.280 nan 0.000 0.571 119 P HA -0.271 nan 4.420 nan 0.000 0.216 119 P C 1.806 179.178 177.300 0.119 0.000 1.154 119 P CA 2.436 65.595 63.100 0.098 0.000 0.865 119 P CB 0.279 32.014 31.700 0.059 0.000 0.789 120 S N -1.206 114.575 115.700 0.134 0.000 2.507 120 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 120 S C 1.582 176.267 174.600 0.141 0.000 0.988 120 S CA 0.566 58.834 58.200 0.112 0.000 0.944 120 S CB -1.419 61.830 63.200 0.082 0.000 0.762 120 S HN 0.087 nan 8.310 nan 0.000 0.526 121 L N 1.731 123.066 121.223 0.187 0.000 2.711 121 L HA 0.105 4.445 4.340 -0.000 0.000 0.242 121 L C 2.486 179.483 176.870 0.212 0.000 1.153 121 L CA 0.248 55.202 54.840 0.190 0.000 0.898 121 L CB -0.401 41.838 42.059 0.301 0.000 1.044 121 L HN 0.503 nan 8.230 nan 0.000 0.437 122 R N -0.005 120.590 120.500 0.159 0.000 2.152 122 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 122 R C 0.887 177.254 176.300 0.112 0.000 1.117 122 R CA 1.187 57.364 56.100 0.128 0.000 0.981 122 R CB -0.237 30.113 30.300 0.084 0.000 0.870 122 R HN 0.348 nan 8.270 nan 0.000 0.451 123 E N 0.659 120.922 120.200 0.105 0.000 2.723 123 E HA 0.312 4.662 4.350 -0.000 0.000 0.219 123 E C -0.832 175.824 176.600 0.092 0.000 1.060 123 E CA -0.398 56.057 56.400 0.091 0.000 1.291 123 E CB 1.257 31.007 29.700 0.082 0.000 1.265 123 E HN 0.447 nan 8.360 nan 0.000 0.438 124 A N 0.963 123.759 122.820 -0.041 0.000 2.256 124 A HA 0.371 4.691 4.320 -0.000 0.000 0.318 124 A C 0.136 177.530 177.584 -0.316 0.000 1.103 124 A CA -0.474 51.319 52.037 -0.407 0.000 0.860 124 A CB 0.869 19.341 19.000 -0.880 0.000 1.182 124 A HN 0.114 nan 8.150 nan 0.000 0.501 125 E N 1.089 121.036 120.200 -0.422 0.000 2.261 125 E HA 0.295 4.645 4.350 -0.000 0.000 0.239 125 E C -1.513 174.885 176.600 -0.338 0.000 0.991 125 E CA -0.108 56.147 56.400 -0.241 0.000 0.847 125 E CB 0.150 29.774 29.700 -0.126 0.000 1.223 125 E HN 0.461 nan 8.360 nan 0.000 0.446 126 F N 2.420 122.290 119.950 -0.133 0.000 2.456 126 F HA 0.181 4.708 4.527 -0.000 0.000 0.358 126 F C 0.792 176.463 175.800 -0.216 0.000 1.095 126 F CA -0.374 57.530 58.000 -0.160 0.000 1.216 126 F CB 0.669 39.602 39.000 -0.111 0.000 1.125 126 F HN 0.294 nan 8.300 nan 0.000 0.549 127 M N 4.181 123.670 119.600 -0.185 0.000 2.053 127 M HA 0.288 4.768 4.480 -0.000 0.000 0.297 127 M C -0.621 175.488 176.300 -0.319 0.000 0.921 127 M CA -0.020 55.059 55.300 -0.368 0.000 0.918 127 M CB 1.185 33.316 32.600 -0.783 0.000 1.499 127 M HN 0.423 nan 8.290 nan 0.000 0.422 128 T N 4.304 118.774 114.554 -0.140 0.000 2.907 128 T HA 0.632 4.982 4.350 -0.000 0.000 0.298 128 T C -0.848 173.802 174.700 -0.082 0.000 1.017 128 T CA -0.248 61.797 62.100 -0.091 0.000 1.118 128 T CB 0.271 69.106 68.868 -0.056 0.000 0.948 128 T HN 0.675 nan 8.240 nan 0.000 0.531 129 V N 2.982 122.834 119.914 -0.103 0.000 2.656 129 V HA 0.732 4.852 4.120 -0.000 0.000 0.307 129 V C -0.267 175.818 176.094 -0.015 0.000 1.051 129 V CA -1.305 60.946 62.300 -0.082 0.000 0.893 129 V CB 1.566 33.189 31.823 -0.333 0.000 0.999 129 V HN 0.938 nan 8.190 nan 0.000 0.426 130 K N 1.945 122.371 120.400 0.043 0.000 2.127 130 K HA 0.499 4.819 4.320 -0.000 0.000 0.240 130 K C 0.059 176.728 176.600 0.115 0.000 1.024 130 K CA -0.423 55.901 56.287 0.061 0.000 0.918 130 K CB 0.793 33.322 32.500 0.048 0.000 1.108 130 K HN 0.597 nan 8.250 nan 0.000 0.485 131 T N 0.861 115.473 114.554 0.096 0.000 2.822 131 T HA 0.171 4.521 4.350 -0.000 0.000 0.288 131 T C 1.047 175.809 174.700 0.104 0.000 0.991 131 T CA 1.415 63.578 62.100 0.105 0.000 1.176 131 T CB -0.256 68.649 68.868 0.062 0.000 0.951 131 T HN 0.904 nan 8.240 nan 0.000 0.526 132 G N 4.206 113.080 108.800 0.124 0.000 2.424 132 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.207 132 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.207 132 G C -0.009 174.957 174.900 0.111 0.000 1.061 132 G CA -0.278 44.878 45.100 0.093 0.000 0.657 132 G HN 0.652 nan 8.290 nan 0.000 0.508 133 D N 0.444 120.938 120.400 0.156 0.000 2.383 133 D HA 0.421 5.061 4.640 -0.000 0.000 0.233 133 D C 0.376 176.819 176.300 0.240 0.000 1.233 133 D CA 0.821 54.941 54.000 0.198 0.000 0.881 133 D CB 1.334 42.273 40.800 0.231 0.000 1.212 133 D HN 0.449 nan 8.370 nan 0.000 0.467 134 V N 1.248 121.281 119.914 0.197 0.000 2.971 134 V HA 0.326 4.446 4.120 -0.000 0.000 0.309 134 V C -1.052 175.074 176.094 0.054 0.000 1.130 134 V CA -0.896 61.441 62.300 0.060 0.000 0.964 134 V CB 2.407 34.227 31.823 -0.005 0.000 1.029 134 V HN 0.308 nan 8.190 nan 0.000 0.427 135 L N 3.713 124.857 121.223 -0.132 0.000 2.353 135 L HA 0.593 4.932 4.340 -0.000 0.000 0.270 135 L C -0.437 176.262 176.870 -0.285 0.000 1.003 135 L CA -0.242 54.445 54.840 -0.255 0.000 0.862 135 L CB 1.007 42.801 42.059 -0.442 0.000 1.221 135 L HN 0.711 nan 8.230 nan 0.000 0.430 136 D N 3.896 124.183 120.400 -0.189 0.000 2.417 136 D HA 0.084 4.724 4.640 -0.000 0.000 0.250 136 D C 0.551 176.783 176.300 -0.114 0.000 1.166 136 D CA 0.475 54.407 54.000 -0.113 0.000 0.881 136 D CB 0.875 41.652 40.800 -0.037 0.000 1.164 136 D HN 0.668 nan 8.370 nan 0.000 0.467 137 L N 2.587 123.774 121.223 -0.059 0.000 2.858 137 L HA 0.326 4.666 4.340 -0.000 0.000 0.251 137 L C 1.020 177.914 176.870 0.040 0.000 1.149 137 L CA 0.072 54.920 54.840 0.013 0.000 0.955 137 L CB 0.278 42.331 42.059 -0.010 0.000 1.289 137 L HN 0.699 nan 8.230 nan 0.000 0.542 138 G N 0.199 109.012 108.800 0.021 0.000 2.846 138 G HA2 0.094 4.054 3.960 -0.000 0.000 0.254 138 G HA3 0.094 4.054 3.960 -0.000 0.000 0.254 138 G C 0.722 175.631 174.900 0.015 0.000 1.017 138 G CA 0.016 45.130 45.100 0.023 0.000 1.188 138 G HN 0.569 nan 8.290 nan 0.000 0.518 139 G N 0.505 109.309 108.800 0.007 0.000 2.284 139 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.230 139 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.230 139 G C 0.345 175.244 174.900 -0.001 0.000 1.021 139 G CA 1.029 46.132 45.100 0.005 0.000 0.619 139 G HN 1.281 nan 8.290 nan 0.000 0.510 140 K N 0.791 121.187 120.400 -0.007 0.000 2.422 140 K HA 0.643 4.963 4.320 -0.000 0.000 0.251 140 K C -0.739 175.833 176.600 -0.047 0.000 0.933 140 K CA -0.056 56.219 56.287 -0.019 0.000 0.798 140 K CB 2.256 34.753 32.500 -0.006 0.000 1.238 140 K HN 0.339 nan 8.250 nan 0.000 0.428 141 T N -0.194 114.321 114.554 -0.065 0.000 2.881 141 T HA 0.443 4.793 4.350 -0.000 0.000 0.290 141 T C -0.716 173.893 174.700 -0.151 0.000 1.000 141 T CA -0.979 61.056 62.100 -0.108 0.000 0.978 141 T CB 0.757 69.574 68.868 -0.085 0.000 0.997 141 T HN 0.073 nan 8.240 nan 0.000 0.443 142 L N 3.038 124.106 121.223 -0.258 0.000 2.326 142 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 142 L C 0.624 177.190 176.870 -0.506 0.000 1.092 142 L CA 0.055 54.654 54.840 -0.401 0.000 0.810 142 L CB 1.050 42.750 42.059 -0.598 0.000 1.153 142 L HN 0.904 nan 8.230 nan 0.000 0.439 143 T N 4.100 118.401 114.554 -0.423 0.000 2.809 143 T HA 0.496 4.846 4.350 -0.000 0.000 0.296 143 T C -0.156 174.383 174.700 -0.268 0.000 1.015 143 T CA -0.286 61.639 62.100 -0.291 0.000 0.954 143 T CB 0.097 68.906 68.868 -0.099 0.000 0.950 143 T HN 0.069 nan 8.240 nan 0.000 0.450 144 F N 2.689 122.671 119.950 0.054 0.000 2.389 144 F HA 0.583 5.110 4.527 -0.000 0.000 0.337 144 F C 0.217 176.069 175.800 0.086 0.000 1.112 144 F CA -1.020 57.029 58.000 0.082 0.000 1.192 144 F CB 0.799 39.847 39.000 0.079 0.000 1.185 144 F HN 0.294 nan 8.300 nan 0.000 0.552 145 L N 3.035 124.433 121.223 0.291 0.000 2.504 145 L HA 0.355 4.695 4.340 -0.000 0.000 0.265 145 L C -0.786 176.131 176.870 0.078 0.000 0.975 145 L CA -0.406 54.531 54.840 0.163 0.000 0.864 145 L CB 1.341 43.495 42.059 0.158 0.000 1.212 145 L HN 0.538 nan 8.230 nan 0.000 0.416 146 E N 2.764 122.993 120.200 0.050 0.000 2.415 146 E HA 0.190 4.540 4.350 -0.000 0.000 0.260 146 E C -0.223 176.318 176.600 -0.098 0.000 1.016 146 E CA 0.474 56.873 56.400 -0.002 0.000 0.924 146 E CB 0.432 30.138 29.700 0.010 0.000 0.961 146 E HN 0.632 nan 8.360 nan 0.000 0.459 147 T N 1.457 115.912 114.554 -0.163 0.000 3.332 147 T HA 0.297 4.647 4.350 -0.000 0.000 0.385 147 T C -2.449 172.179 174.700 -0.119 0.000 1.695 147 T CA -2.320 59.629 62.100 -0.253 0.000 1.397 147 T CB 0.577 69.090 68.868 -0.592 0.000 1.100 147 T HN 0.133 nan 8.240 nan 0.000 0.669 148 P HA 0.176 nan 4.420 nan 0.000 0.271 148 P C 1.097 178.380 177.300 -0.029 0.000 1.218 148 P CA -0.374 62.709 63.100 -0.028 0.000 0.780 148 P CB 0.733 32.416 31.700 -0.027 0.000 0.901 149 L N -0.427 120.793 121.223 -0.005 0.000 3.991 149 L HA -0.185 4.155 4.340 -0.000 0.000 0.437 149 L C 0.212 177.079 176.870 -0.004 0.000 1.138 149 L CA 0.570 55.405 54.840 -0.009 0.000 0.964 149 L CB -0.694 41.344 42.059 -0.035 0.000 1.867 149 L HN 0.502 nan 8.230 nan 0.000 1.028 150 L N -0.882 120.340 121.223 -0.001 0.000 2.492 150 L HA 0.181 4.521 4.340 -0.000 0.000 0.259 150 L C 0.640 177.522 176.870 0.020 0.000 1.229 150 L CA -0.261 54.583 54.840 0.006 0.000 0.903 150 L CB 0.849 42.869 42.059 -0.065 0.000 1.114 150 L HN 0.186 nan 8.230 nan 0.000 0.494 151 H N 3.339 122.378 119.070 -0.051 0.000 2.486 151 H HA 0.179 4.735 4.556 -0.000 0.000 0.287 151 H C -0.502 174.968 175.328 0.237 0.000 1.010 151 H CA 1.016 57.057 56.048 -0.011 0.000 1.324 151 H CB 0.423 30.089 29.762 -0.160 0.000 1.446 151 H HN 0.415 nan 8.280 nan 0.000 0.537 152 W N -0.206 120.971 121.300 -0.205 0.000 2.762 152 W HA 0.368 5.028 4.660 -0.000 0.000 0.355 152 W C -1.863 174.631 176.519 -0.042 0.000 1.124 152 W CA -3.115 54.157 57.345 -0.122 0.000 1.141 152 W CB 0.608 30.163 29.460 0.158 0.000 1.432 152 W HN -0.062 nan 8.180 nan 0.000 0.586 153 P HA -0.060 nan 4.420 nan 0.000 0.251 153 P C -0.171 177.178 177.300 0.081 0.000 1.251 153 P CA 1.345 64.472 63.100 0.044 0.000 0.763 153 P CB -0.002 31.670 31.700 -0.046 0.000 1.067 154 D N -4.520 115.992 120.400 0.186 0.000 2.594 154 D HA 0.097 4.737 4.640 -0.000 0.000 0.256 154 D C -0.115 176.325 176.300 0.233 0.000 1.393 154 D CA -0.264 53.842 54.000 0.177 0.000 0.797 154 D CB -0.163 40.746 40.800 0.182 0.000 1.110 154 D HN -0.230 nan 8.370 nan 0.000 0.495 155 S N 0.677 116.513 115.700 0.227 0.000 2.654 155 S HA 0.814 5.284 4.470 -0.000 0.000 0.283 155 S C -0.068 174.591 174.600 0.099 0.000 1.180 155 S CA -0.753 57.567 58.200 0.201 0.000 1.021 155 S CB 1.088 64.355 63.200 0.112 0.000 1.018 155 S HN 0.437 nan 8.310 nan 0.000 0.532 156 M N 0.334 120.018 119.600 0.141 0.000 2.465 156 M HA 0.623 5.103 4.480 -0.000 0.000 0.284 156 M C -2.000 174.507 176.300 0.345 0.000 1.212 156 M CA -0.790 54.590 55.300 0.133 0.000 0.910 156 M CB 1.109 33.817 32.600 0.180 0.000 1.725 156 M HN 0.271 nan 8.290 nan 0.000 0.477 157 F N 0.838 120.896 119.950 0.180 0.000 2.394 157 F HA 0.598 5.125 4.527 -0.000 0.000 0.340 157 F C 0.341 176.272 175.800 0.218 0.000 1.105 157 F CA -0.766 57.349 58.000 0.191 0.000 1.124 157 F CB 1.769 40.870 39.000 0.169 0.000 1.145 157 F HN 0.600 nan 8.300 nan 0.000 0.505 158 T N 5.040 119.845 114.554 0.418 0.000 2.758 158 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 158 T C -0.304 174.546 174.700 0.250 0.000 0.981 158 T CA -0.399 61.846 62.100 0.241 0.000 0.965 158 T CB 0.746 69.709 68.868 0.157 0.000 0.927 158 T HN 0.234 nan 8.240 nan 0.000 0.448 159 L N 3.602 124.882 121.223 0.095 0.000 2.307 159 L HA 0.513 4.852 4.340 -0.000 0.000 0.284 159 L C -0.497 176.391 176.870 0.030 0.000 1.023 159 L CA -0.811 54.071 54.840 0.071 0.000 0.810 159 L CB 1.522 43.600 42.059 0.032 0.000 1.231 159 L HN 0.418 nan 8.230 nan 0.000 0.423 160 L N 2.999 124.263 121.223 0.067 0.000 2.353 160 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 160 L C 0.715 177.568 176.870 -0.030 0.000 1.085 160 L CA 0.302 55.164 54.840 0.037 0.000 0.938 160 L CB 0.221 42.364 42.059 0.140 0.000 1.312 160 L HN 0.606 nan 8.230 nan 0.000 0.429 161 D N 0.961 121.336 120.400 -0.041 0.000 2.117 161 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 161 D C 1.553 177.826 176.300 -0.045 0.000 0.982 161 D CA 1.337 55.311 54.000 -0.044 0.000 0.828 161 D CB 0.389 41.166 40.800 -0.037 0.000 0.967 161 D HN 0.647 nan 8.370 nan 0.000 0.464 162 E N -0.090 120.086 120.200 -0.039 0.000 2.485 162 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 162 E C 0.053 176.631 176.600 -0.038 0.000 1.098 162 E CA 0.567 56.946 56.400 -0.035 0.000 0.878 162 E CB 0.186 29.869 29.700 -0.028 0.000 0.939 162 E HN 0.237 nan 8.360 nan 0.000 0.503 163 D N -0.510 119.861 120.400 -0.047 0.000 2.473 163 D HA 0.189 4.829 4.640 -0.000 0.000 0.242 163 D C 0.861 177.109 176.300 -0.088 0.000 1.106 163 D CA 1.088 55.053 54.000 -0.058 0.000 0.854 163 D CB 0.829 41.600 40.800 -0.049 0.000 1.192 163 D HN 0.284 nan 8.370 nan 0.000 0.503 164 G N 1.238 109.980 108.800 -0.097 0.000 2.160 164 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 164 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 164 G C 0.074 174.862 174.900 -0.187 0.000 1.022 164 G CA 0.044 45.069 45.100 -0.125 0.000 0.741 164 G HN 0.319 nan 8.290 nan 0.000 0.508 165 I N 0.022 120.458 120.570 -0.223 0.000 2.365 165 I HA 0.555 4.725 4.170 -0.000 0.000 0.291 165 I C 0.233 176.097 176.117 -0.421 0.000 1.004 165 I CA -1.028 60.031 61.300 -0.402 0.000 1.311 165 I CB 1.559 39.227 38.000 -0.554 0.000 1.401 165 I HN 0.096 nan 8.210 nan 0.000 0.491 166 L N 7.491 128.422 121.223 -0.488 0.000 2.298 166 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 166 L C -1.230 175.318 176.870 -0.537 0.000 1.013 166 L CA 0.072 54.684 54.840 -0.379 0.000 0.824 166 L CB 0.614 42.500 42.059 -0.289 0.000 1.221 166 L HN 0.258 nan 8.230 nan 0.000 0.418 167 F N 3.761 123.602 119.950 -0.182 0.000 2.368 167 F HA 0.253 4.780 4.527 -0.000 0.000 0.362 167 F C 1.429 177.137 175.800 -0.153 0.000 1.137 167 F CA -0.104 57.792 58.000 -0.174 0.000 1.161 167 F CB 0.769 39.706 39.000 -0.105 0.000 1.265 167 F HN 0.675 nan 8.300 nan 0.000 0.530 168 S N 0.917 116.538 115.700 -0.131 0.000 2.577 168 S HA 0.102 4.572 4.470 -0.000 0.000 0.219 168 S C 0.818 175.362 174.600 -0.093 0.000 0.962 168 S CA -0.137 57.767 58.200 -0.493 0.000 0.921 168 S CB -0.803 62.170 63.200 -0.379 0.000 0.789 168 S HN 0.773 nan 8.310 nan 0.000 0.497 169 N N 2.229 120.989 118.700 0.100 0.000 1.147 169 N HA -0.274 4.466 4.740 -0.000 0.000 0.110 169 N C 0.121 175.653 175.510 0.036 0.000 0.748 169 N CA 2.083 55.173 53.050 0.066 0.000 0.836 169 N CB -1.157 37.388 38.487 0.098 0.000 1.055 169 N HN 0.226 nan 8.380 nan 0.000 0.639 170 D N -0.128 120.294 120.400 0.036 0.000 2.182 170 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 170 D C 0.541 176.961 176.300 0.201 0.000 0.986 170 D CA 1.357 55.464 54.000 0.178 0.000 0.847 170 D CB -0.824 40.073 40.800 0.162 0.000 0.942 170 D HN 0.625 nan 8.370 nan 0.000 0.467 171 A N -0.387 122.505 122.820 0.120 0.000 2.561 171 A HA 0.098 4.418 4.320 -0.000 0.000 0.234 171 A C 0.345 177.827 177.584 -0.169 0.000 1.055 171 A CA 0.013 52.005 52.037 -0.076 0.000 0.756 171 A CB -0.537 18.337 19.000 -0.210 0.000 0.986 171 A HN 0.344 nan 8.150 nan 0.000 0.505 172 F N -0.638 119.323 119.950 0.019 0.000 2.935 172 F HA -0.272 4.255 4.527 -0.000 0.000 0.317 172 F C 1.392 177.246 175.800 0.091 0.000 0.699 172 F CA 0.594 58.502 58.000 -0.153 0.000 1.127 172 F CB -1.856 36.922 39.000 -0.370 0.000 1.491 172 F HN 0.918 nan 8.300 nan 0.000 0.337 173 G N -0.104 108.628 108.800 -0.113 0.000 2.634 173 G HA2 0.512 4.472 3.960 -0.000 0.000 0.255 173 G HA3 0.512 4.472 3.960 -0.000 0.000 0.255 173 G C -0.429 173.895 174.900 -0.959 0.000 1.205 173 G CA -0.129 44.638 45.100 -0.555 0.000 0.884 173 G HN 0.245 nan 8.290 nan 0.000 0.549 174 Q N -0.947 118.465 119.800 -0.645 0.000 2.340 174 Q HA 0.311 4.651 4.340 -0.000 0.000 0.276 174 Q C -1.160 174.730 176.000 -0.183 0.000 1.048 174 Q CA -0.798 54.794 55.803 -0.352 0.000 0.832 174 Q CB 1.632 30.364 28.738 -0.010 0.000 1.373 174 Q HN 0.565 nan 8.270 nan 0.000 0.409 175 H N 2.169 121.340 119.070 0.168 0.000 2.982 175 H HA 0.392 4.948 4.556 -0.000 0.000 0.261 175 H C -0.807 174.565 175.328 0.074 0.000 1.603 175 H CA 0.136 56.245 56.048 0.101 0.000 1.398 175 H CB -0.296 29.529 29.762 0.105 0.000 1.693 175 H HN 0.405 nan 8.280 nan 0.000 0.535 176 L N 1.127 122.406 121.223 0.093 0.000 2.388 176 L HA 0.343 4.683 4.340 -0.000 0.000 0.264 176 L C -0.391 176.439 176.870 -0.066 0.000 0.998 176 L CA -0.737 54.119 54.840 0.026 0.000 0.817 176 L CB 2.821 44.876 42.059 -0.007 0.000 1.338 176 L HN 0.403 nan 8.230 nan 0.000 0.414 177 C N 2.728 121.974 119.300 -0.090 0.000 2.386 177 C HA 0.751 5.211 4.460 -0.000 0.000 0.318 177 C C -0.349 174.534 174.990 -0.179 0.000 1.128 177 C CA -0.561 58.310 59.018 -0.244 0.000 1.438 177 C CB -0.836 26.710 27.740 -0.323 0.000 1.987 177 C HN 0.881 nan 8.230 nan 0.000 0.426 178 C N 6.250 125.428 119.300 -0.204 0.000 2.707 178 C HA 0.520 4.980 4.460 -0.000 0.000 0.313 178 C C -1.075 173.857 174.990 -0.097 0.000 1.209 178 C CA -0.812 58.173 59.018 -0.056 0.000 1.635 178 C CB 1.904 29.608 27.740 -0.061 0.000 2.206 178 C HN 0.644 nan 8.230 nan 0.000 0.485 179 P HA -0.101 nan 4.420 nan 0.000 0.218 179 P C -0.178 177.074 177.300 -0.080 0.000 1.148 179 P CA 1.301 64.447 63.100 0.077 0.000 0.822 179 P CB 0.112 31.898 31.700 0.144 0.000 0.784 180 Q N -0.609 119.130 119.800 -0.102 0.000 2.261 180 Q HA 0.224 4.564 4.340 -0.000 0.000 0.252 180 Q C 1.196 177.042 176.000 -0.257 0.000 0.915 180 Q CA 0.054 55.766 55.803 -0.153 0.000 0.915 180 Q CB 0.631 29.305 28.738 -0.107 0.000 1.204 180 Q HN 0.033 nan 8.270 nan 0.000 0.421 181 R N 1.543 121.855 120.500 -0.313 0.000 2.265 181 R HA 0.238 4.578 4.340 -0.000 0.000 0.194 181 R C -0.038 176.065 176.300 -0.328 0.000 0.931 181 R CA 0.242 56.085 56.100 -0.428 0.000 1.032 181 R CB 0.143 30.111 30.300 -0.554 0.000 0.980 181 R HN 0.492 nan 8.270 nan 0.000 0.497 182 L N 1.928 122.999 121.223 -0.254 0.000 2.334 182 L HA 0.164 4.504 4.340 -0.000 0.000 0.272 182 L C 1.304 178.017 176.870 -0.263 0.000 1.020 182 L CA -0.774 53.924 54.840 -0.237 0.000 0.812 182 L CB 1.322 43.281 42.059 -0.168 0.000 1.264 182 L HN -0.039 nan 8.230 nan 0.000 0.439 183 D N 1.489 121.693 120.400 -0.326 0.000 2.133 183 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 183 D C 1.579 177.778 176.300 -0.168 0.000 0.997 183 D CA 1.667 55.459 54.000 -0.347 0.000 0.840 183 D CB -0.177 40.389 40.800 -0.391 0.000 0.947 183 D HN 0.638 nan 8.370 nan 0.000 0.452 184 R N 0.387 120.820 120.500 -0.113 0.000 2.280 184 R HA 0.129 4.469 4.340 -0.000 0.000 0.207 184 R C 1.627 177.891 176.300 -0.061 0.000 1.043 184 R CA 0.802 56.865 56.100 -0.063 0.000 1.006 184 R CB -0.449 29.823 30.300 -0.048 0.000 0.885 184 R HN 0.223 nan 8.270 nan 0.000 0.467 185 E N 1.225 121.374 120.200 -0.086 0.000 2.447 185 E HA 0.137 4.487 4.350 -0.000 0.000 0.195 185 E C 0.617 177.182 176.600 -0.058 0.000 1.028 185 E CA 0.070 56.428 56.400 -0.071 0.000 0.876 185 E CB 0.314 29.961 29.700 -0.088 0.000 0.885 185 E HN 0.477 nan 8.360 nan 0.000 0.500 186 I N -2.313 118.218 120.570 -0.065 0.000 2.910 186 I HA 0.540 4.710 4.170 -0.000 0.000 0.310 186 I C -2.698 173.414 176.117 -0.009 0.000 1.043 186 I CA -3.146 58.131 61.300 -0.038 0.000 1.053 186 I CB 1.378 39.344 38.000 -0.055 0.000 1.242 186 I HN -0.344 nan 8.210 nan 0.000 0.452 187 P HA 0.031 nan 4.420 nan 0.000 0.265 187 P C -0.016 177.334 177.300 0.083 0.000 1.193 187 P CA 0.116 63.254 63.100 0.064 0.000 0.765 187 P CB 0.616 32.373 31.700 0.094 0.000 0.823 188 E N 2.386 122.645 120.200 0.098 0.000 2.204 188 E HA -0.263 4.086 4.350 -0.000 0.000 0.194 188 E C 1.496 178.183 176.600 0.145 0.000 0.989 188 E CA 1.241 57.708 56.400 0.111 0.000 0.824 188 E CB -0.922 28.842 29.700 0.107 0.000 0.756 188 E HN 0.522 nan 8.360 nan 0.000 0.477 189 Y N 0.911 121.257 120.300 0.077 0.000 2.145 189 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 189 Y C 1.885 177.846 175.900 0.102 0.000 1.145 189 Y CA 1.841 59.995 58.100 0.091 0.000 1.148 189 Y CB -0.032 38.471 38.460 0.072 0.000 0.981 189 Y HN 0.051 nan 8.280 nan 0.000 0.507 190 I N -0.048 120.662 120.570 0.233 0.000 2.142 190 I HA -0.286 3.883 4.170 -0.000 0.000 0.240 190 I C 2.452 178.604 176.117 0.059 0.000 1.078 190 I CA 1.383 62.770 61.300 0.146 0.000 1.343 190 I CB -1.569 36.514 38.000 0.139 0.000 1.046 190 I HN 0.393 nan 8.210 nan 0.000 0.405 191 L N 0.548 121.802 121.223 0.052 0.000 1.989 191 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 191 L C 2.498 179.457 176.870 0.148 0.000 1.071 191 L CA 1.982 56.845 54.840 0.039 0.000 0.749 191 L CB -0.451 41.596 42.059 -0.021 0.000 0.890 191 L HN 0.069 nan 8.230 nan 0.000 0.431 192 M N -0.853 118.836 119.600 0.149 0.000 2.175 192 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 192 M C 2.060 178.463 176.300 0.171 0.000 1.063 192 M CA 1.550 56.985 55.300 0.225 0.000 1.119 192 M CB -1.509 31.191 32.600 0.165 0.000 1.377 192 M HN 0.366 nan 8.290 nan 0.000 0.415 193 D N 0.203 120.577 120.400 -0.043 0.000 2.178 193 D HA -0.019 4.621 4.640 -0.000 0.000 0.202 193 D C 1.877 178.228 176.300 0.084 0.000 0.974 193 D CA 1.407 55.367 54.000 -0.066 0.000 0.841 193 D CB 0.233 40.874 40.800 -0.264 0.000 0.953 193 D HN 0.281 nan 8.370 nan 0.000 0.478 194 A N 0.208 123.110 122.820 0.137 0.000 1.929 194 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 194 A C 2.287 180.059 177.584 0.313 0.000 1.176 194 A CA 1.662 53.829 52.037 0.216 0.000 0.628 194 A CB -0.760 18.350 19.000 0.183 0.000 0.816 194 A HN 0.258 nan 8.150 nan 0.000 0.444 195 A N -0.059 122.971 122.820 0.350 0.000 1.898 195 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 195 A C 2.217 180.014 177.584 0.355 0.000 1.181 195 A CA 1.666 54.005 52.037 0.502 0.000 0.620 195 A CB -0.517 18.928 19.000 0.740 0.000 0.819 195 A HN 0.553 nan 8.150 nan 0.000 0.442 196 R N -0.035 120.580 120.500 0.191 0.000 2.097 196 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 196 R C 2.307 178.482 176.300 -0.208 0.000 1.135 196 R CA 2.231 58.143 56.100 -0.313 0.000 0.934 196 R CB -0.357 29.936 30.300 -0.012 0.000 0.846 196 R HN 0.512 nan 8.270 nan 0.000 0.431 197 K N -0.626 119.793 120.400 0.032 0.000 2.044 197 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 197 K C 2.008 178.748 176.600 0.234 0.000 1.049 197 K CA 1.989 58.329 56.287 0.088 0.000 0.927 197 K CB -0.324 32.238 32.500 0.102 0.000 0.713 197 K HN 0.187 nan 8.250 nan 0.000 0.443 198 F N 0.226 120.309 119.950 0.221 0.000 2.102 198 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 198 F C 2.184 178.050 175.800 0.111 0.000 1.105 198 F CA 1.751 59.904 58.000 0.255 0.000 1.239 198 F CB -0.438 38.692 39.000 0.217 0.000 0.991 198 F HN 0.129 nan 8.300 nan 0.000 0.474 199 Y N 0.310 120.672 120.300 0.104 0.000 2.128 199 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 199 Y C 2.395 178.156 175.900 -0.232 0.000 1.154 199 Y CA 1.741 59.732 58.100 -0.181 0.000 1.149 199 Y CB -0.759 37.342 38.460 -0.598 0.000 0.976 199 Y HN 0.080 nan 8.280 nan 0.000 0.505 200 A N 0.334 123.143 122.820 -0.019 0.000 1.908 200 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 200 A C 2.014 179.548 177.584 -0.083 0.000 1.181 200 A CA 2.070 54.113 52.037 0.010 0.000 0.627 200 A CB -0.694 18.339 19.000 0.056 0.000 0.818 200 A HN 0.634 nan 8.150 nan 0.000 0.445 201 N N -1.149 117.530 118.700 -0.036 0.000 2.415 201 N HA 0.132 4.872 4.740 -0.000 0.000 0.176 201 N C 1.271 176.728 175.510 -0.087 0.000 1.042 201 N CA 0.951 54.009 53.050 0.013 0.000 0.902 201 N CB 0.240 38.865 38.487 0.230 0.000 0.986 201 N HN 0.471 nan 8.380 nan 0.000 0.447 202 L N -0.455 120.634 121.223 -0.224 0.000 2.766 202 L HA 0.252 4.592 4.340 -0.000 0.000 0.241 202 L C 1.304 178.009 176.870 -0.275 0.000 1.080 202 L CA 0.122 54.803 54.840 -0.266 0.000 0.909 202 L CB 0.461 42.209 42.059 -0.518 0.000 1.277 202 L HN -0.056 nan 8.230 nan 0.000 0.510 203 I N -1.069 119.211 120.570 -0.483 0.000 3.939 203 I HA 0.038 4.208 4.170 -0.000 0.000 0.313 203 I C 2.202 177.916 176.117 -0.672 0.000 1.274 203 I CA 0.614 61.530 61.300 -0.639 0.000 1.301 203 I CB -1.041 36.362 38.000 -0.995 0.000 1.105 203 I HN 0.063 nan 8.210 nan 0.000 0.427 204 T N 3.709 117.883 114.554 -0.634 0.000 2.649 204 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 204 T C -0.421 174.084 174.700 -0.325 0.000 1.036 204 T CA 2.068 63.902 62.100 -0.443 0.000 1.157 204 T CB -1.354 67.132 68.868 -0.636 0.000 0.861 204 T HN 0.285 nan 8.240 nan 0.000 0.445 205 P HA 0.103 nan 4.420 nan 0.000 0.233 205 P C 0.821 178.039 177.300 -0.136 0.000 1.167 205 P CA 0.805 63.785 63.100 -0.201 0.000 0.770 205 P CB -0.291 31.302 31.700 -0.179 0.000 0.837 206 L N -1.468 119.667 121.223 -0.146 0.000 2.700 206 L HA 0.226 4.566 4.340 -0.000 0.000 0.234 206 L C 1.984 178.805 176.870 -0.082 0.000 1.156 206 L CA -0.007 54.774 54.840 -0.099 0.000 0.946 206 L CB -0.537 41.476 42.059 -0.077 0.000 1.216 206 L HN -0.163 nan 8.230 nan 0.000 0.493 207 S N 0.671 116.333 115.700 -0.062 0.000 2.383 207 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 207 S C 1.986 176.599 174.600 0.022 0.000 1.030 207 S CA 1.502 59.727 58.200 0.041 0.000 1.002 207 S CB -0.043 63.222 63.200 0.107 0.000 0.829 207 S HN 0.439 nan 8.310 nan 0.000 0.467 208 K N 0.289 120.684 120.400 -0.008 0.000 2.103 208 K HA 0.054 4.374 4.320 -0.000 0.000 0.204 208 K C 1.762 178.339 176.600 -0.038 0.000 1.052 208 K CA 0.709 56.988 56.287 -0.014 0.000 0.945 208 K CB -0.197 32.294 32.500 -0.016 0.000 0.722 208 K HN 0.151 nan 8.250 nan 0.000 0.443 209 L N 0.484 121.675 121.223 -0.054 0.000 2.141 209 L HA -0.133 4.206 4.340 -0.000 0.000 0.209 209 L C 2.091 178.887 176.870 -0.124 0.000 1.094 209 L CA 1.254 56.049 54.840 -0.074 0.000 0.763 209 L CB -0.486 41.532 42.059 -0.068 0.000 0.908 209 L HN -0.058 nan 8.230 nan 0.000 0.437 210 V N -0.679 119.148 119.914 -0.144 0.000 2.295 210 V HA -0.276 3.843 4.120 -0.000 0.000 0.246 210 V C 2.387 178.180 176.094 -0.502 0.000 1.049 210 V CA 1.612 63.727 62.300 -0.308 0.000 1.024 210 V CB -0.393 31.338 31.823 -0.153 0.000 0.648 210 V HN 0.329 nan 8.190 nan 0.000 0.447 211 L N -0.600 120.490 121.223 -0.221 0.000 2.056 211 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 211 L C 2.511 179.359 176.870 -0.037 0.000 1.078 211 L CA 1.510 56.297 54.840 -0.087 0.000 0.749 211 L CB -0.666 41.410 42.059 0.029 0.000 0.901 211 L HN 0.219 nan 8.230 nan 0.000 0.433 212 K N 0.049 120.421 120.400 -0.047 0.000 2.360 212 K HA -0.210 4.110 4.320 -0.000 0.000 0.201 212 K C 2.036 178.626 176.600 -0.017 0.000 1.046 212 K CA 0.970 57.246 56.287 -0.018 0.000 0.945 212 K CB 0.011 32.496 32.500 -0.026 0.000 0.750 212 K HN 0.050 nan 8.250 nan 0.000 0.464 213 K N 0.306 120.657 120.400 -0.081 0.000 2.128 213 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 213 K C 1.578 178.261 176.600 0.138 0.000 1.050 213 K CA 0.836 57.100 56.287 -0.038 0.000 0.966 213 K CB -0.041 32.379 32.500 -0.133 0.000 0.759 213 K HN -0.109 nan 8.250 nan 0.000 0.454 214 F N 1.672 121.693 119.950 0.118 0.000 2.269 214 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 214 F C 1.439 177.282 175.800 0.071 0.000 1.082 214 F CA 1.034 59.102 58.000 0.113 0.000 1.360 214 F CB -0.784 38.287 39.000 0.119 0.000 1.041 214 F HN 0.125 nan 8.300 nan 0.000 0.512 215 D N -0.345 120.192 120.400 0.228 0.000 2.103 215 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 215 D C 2.251 178.614 176.300 0.104 0.000 0.978 215 D CA 1.019 55.099 54.000 0.134 0.000 0.829 215 D CB -0.372 40.483 40.800 0.092 0.000 0.981 215 D HN 0.250 nan 8.370 nan 0.000 0.464 216 E N 0.541 120.798 120.200 0.095 0.000 2.118 216 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 216 E C 1.913 178.566 176.600 0.088 0.000 0.992 216 E CA 0.742 57.186 56.400 0.073 0.000 0.804 216 E CB 0.193 29.924 29.700 0.052 0.000 0.741 216 E HN 0.070 nan 8.360 nan 0.000 0.458 217 V N 0.943 120.935 119.914 0.130 0.000 2.427 217 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 217 V C 2.420 178.567 176.094 0.088 0.000 1.051 217 V CA 1.725 64.103 62.300 0.129 0.000 1.048 217 V CB -0.361 31.579 31.823 0.195 0.000 0.666 217 V HN 0.170 nan 8.190 nan 0.000 0.456 218 K N -0.083 120.371 120.400 0.090 0.000 2.103 218 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 218 K C 2.083 178.709 176.600 0.043 0.000 1.052 218 K CA 1.296 57.616 56.287 0.055 0.000 0.945 218 K CB -0.030 32.505 32.500 0.058 0.000 0.722 218 K HN 0.516 nan 8.250 nan 0.000 0.443 219 E N 0.138 120.367 120.200 0.049 0.000 2.338 219 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 219 E C 1.239 177.859 176.600 0.033 0.000 1.007 219 E CA 0.598 57.020 56.400 0.038 0.000 0.849 219 E CB 0.190 29.913 29.700 0.038 0.000 0.774 219 E HN 0.193 nan 8.360 nan 0.000 0.506 220 L N -0.484 120.763 121.223 0.040 0.000 2.607 220 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 220 L C 0.599 177.486 176.870 0.028 0.000 1.123 220 L CA -0.111 54.750 54.840 0.036 0.000 0.890 220 L CB 0.484 42.571 42.059 0.046 0.000 1.103 220 L HN 0.124 nan 8.230 nan 0.000 0.468 221 G N 0.679 109.494 108.800 0.024 0.000 2.342 221 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 221 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 221 G C 0.247 175.152 174.900 0.008 0.000 0.922 221 G CA 0.575 45.682 45.100 0.012 0.000 1.342 221 G HN 0.371 nan 8.290 nan 0.000 0.430 222 L N 0.425 121.654 121.223 0.010 0.000 2.753 222 L HA 0.340 4.679 4.340 -0.000 0.000 0.238 222 L C 2.282 179.140 176.870 -0.020 0.000 1.028 222 L CA 0.076 54.918 54.840 0.003 0.000 0.966 222 L CB -0.291 41.785 42.059 0.028 0.000 1.681 222 L HN 0.348 nan 8.230 nan 0.000 0.511 223 L N 0.664 121.874 121.223 -0.022 0.000 2.552 223 L HA 0.023 4.363 4.340 -0.000 0.000 0.227 223 L C 2.032 178.849 176.870 -0.088 0.000 1.146 223 L CA 0.909 55.710 54.840 -0.066 0.000 0.858 223 L CB -0.033 41.981 42.059 -0.075 0.000 0.969 223 L HN 0.211 nan 8.230 nan 0.000 0.451 224 E N -0.126 120.036 120.200 -0.063 0.000 2.118 224 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 224 E C 2.042 178.597 176.600 -0.075 0.000 0.992 224 E CA 1.544 57.905 56.400 -0.065 0.000 0.804 224 E CB 0.002 29.674 29.700 -0.045 0.000 0.741 224 E HN 0.491 nan 8.360 nan 0.000 0.458 225 R N 0.107 120.563 120.500 -0.074 0.000 2.200 225 R HA 0.056 4.396 4.340 -0.000 0.000 0.208 225 R C 0.258 176.496 176.300 -0.104 0.000 1.033 225 R CA -0.075 55.977 56.100 -0.079 0.000 1.000 225 R CB -0.099 30.160 30.300 -0.068 0.000 0.906 225 R HN 0.026 nan 8.270 nan 0.000 0.462 226 I N 2.545 123.040 120.570 -0.126 0.000 3.192 226 I HA -0.235 3.935 4.170 -0.000 0.000 0.314 226 I C 1.163 177.178 176.117 -0.171 0.000 1.243 226 I CA 0.926 62.127 61.300 -0.166 0.000 1.404 226 I CB 0.351 38.227 38.000 -0.208 0.000 1.374 226 I HN 0.241 nan 8.210 nan 0.000 0.522 227 Q N 5.536 125.235 119.800 -0.170 0.000 2.394 227 Q HA 0.293 4.633 4.340 -0.000 0.000 0.218 227 Q C 0.358 176.259 176.000 -0.165 0.000 0.907 227 Q CA 0.568 56.281 55.803 -0.150 0.000 0.919 227 Q CB 0.735 29.395 28.738 -0.131 0.000 1.051 227 Q HN 0.743 nan 8.270 nan 0.000 0.538 228 M N 0.108 119.582 119.600 -0.211 0.000 2.325 228 M HA 0.381 4.861 4.480 -0.000 0.000 0.285 228 M C -2.055 174.065 176.300 -0.300 0.000 1.119 228 M CA -0.264 54.904 55.300 -0.219 0.000 0.959 228 M CB 1.753 34.222 32.600 -0.218 0.000 1.737 228 M HN -0.087 nan 8.290 nan 0.000 0.486 229 I N 3.972 124.396 120.570 -0.244 0.000 2.354 229 I HA 0.598 4.768 4.170 -0.000 0.000 0.292 229 I C -0.098 175.920 176.117 -0.165 0.000 0.989 229 I CA -0.508 60.623 61.300 -0.282 0.000 1.188 229 I CB 1.942 39.698 38.000 -0.407 0.000 1.342 229 I HN 0.821 nan 8.210 nan 0.000 0.457 230 A N 9.351 131.976 122.820 -0.326 0.000 2.399 230 A HA 0.649 4.968 4.320 -0.000 0.000 0.327 230 A C -2.579 174.985 177.584 -0.033 0.000 1.367 230 A CA -1.461 50.404 52.037 -0.287 0.000 0.842 230 A CB 0.054 18.539 19.000 -0.858 0.000 1.142 230 A HN 0.345 nan 8.150 nan 0.000 0.495 231 P HA 0.201 nan 4.420 nan 0.000 0.279 231 P C 0.751 178.190 177.300 0.231 0.000 1.276 231 P CA -0.306 62.895 63.100 0.169 0.000 0.801 231 P CB 1.228 33.019 31.700 0.152 0.000 1.127 232 S N -2.187 113.554 115.700 0.067 0.000 2.603 232 S HA 0.051 4.521 4.470 -0.000 0.000 0.220 232 S C 0.497 174.952 174.600 -0.242 0.000 0.967 232 S CA 0.281 58.419 58.200 -0.102 0.000 0.920 232 S CB -0.711 62.188 63.200 -0.501 0.000 0.773 232 S HN 0.462 nan 8.310 nan 0.000 0.529 233 H N 0.384 119.506 119.070 0.088 0.000 2.759 233 H HA 0.551 5.107 4.556 -0.000 0.000 0.354 233 H C 0.951 176.215 175.328 -0.107 0.000 1.074 233 H CA 0.053 56.106 56.048 0.008 0.000 1.226 233 H CB 1.287 30.968 29.762 -0.135 0.000 1.648 233 H HN 0.377 nan 8.280 nan 0.000 0.529 234 G N 2.846 111.662 108.800 0.027 0.000 2.525 234 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 234 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 234 G C -0.507 174.283 174.900 -0.184 0.000 1.238 234 G CA -0.604 44.436 45.100 -0.101 0.000 0.926 234 G HN 0.539 nan 8.290 nan 0.000 0.574 235 Q N -0.019 119.596 119.800 -0.309 0.000 2.352 235 Q HA 0.522 4.862 4.340 -0.000 0.000 0.260 235 Q C 0.648 176.349 176.000 -0.497 0.000 0.976 235 Q CA -0.093 55.447 55.803 -0.438 0.000 0.881 235 Q CB 0.914 29.314 28.738 -0.562 0.000 1.235 235 Q HN 0.545 nan 8.270 nan 0.000 0.419 236 I N 1.608 121.959 120.570 -0.364 0.000 2.416 236 I HA 0.047 4.217 4.170 -0.000 0.000 0.288 236 I C -0.255 175.653 176.117 -0.347 0.000 1.051 236 I CA -0.262 60.883 61.300 -0.259 0.000 1.375 236 I CB 0.405 38.333 38.000 -0.119 0.000 1.407 236 I HN 0.398 nan 8.210 nan 0.000 0.516 237 W N 5.633 126.836 121.300 -0.161 0.000 2.507 237 W HA 0.204 4.864 4.660 -0.000 0.000 0.334 237 W C 1.548 177.952 176.519 -0.192 0.000 1.165 237 W CA -0.541 56.696 57.345 -0.179 0.000 1.460 237 W CB 0.279 29.600 29.460 -0.232 0.000 1.404 237 W HN 0.571 nan 8.180 nan 0.000 0.435 238 T N -2.562 111.997 114.554 0.007 0.000 3.088 238 T HA -0.103 4.247 4.350 -0.000 0.000 0.259 238 T C 0.356 175.043 174.700 -0.022 0.000 1.122 238 T CA 0.531 62.608 62.100 -0.038 0.000 1.095 238 T CB 0.027 68.856 68.868 -0.064 0.000 0.930 238 T HN 0.237 nan 8.240 nan 0.000 0.508 239 D N 2.215 122.640 120.400 0.041 0.000 2.517 239 D HA 0.298 4.938 4.640 -0.000 0.000 0.301 239 D C -1.672 174.615 176.300 -0.020 0.000 1.202 239 D CA -2.633 51.373 54.000 0.009 0.000 0.910 239 D CB 1.376 42.197 40.800 0.035 0.000 1.021 239 D HN 0.059 nan 8.370 nan 0.000 0.499 240 P HA -0.118 nan 4.420 nan 0.000 0.219 240 P C 1.657 178.691 177.300 -0.442 0.000 1.150 240 P CA 0.476 63.376 63.100 -0.334 0.000 0.814 240 P CB 0.176 31.658 31.700 -0.364 0.000 0.787 241 M N -0.119 119.296 119.600 -0.309 0.000 2.435 241 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 241 M C 2.063 178.191 176.300 -0.287 0.000 1.065 241 M CA 1.283 56.407 55.300 -0.293 0.000 1.076 241 M CB -1.232 31.245 32.600 -0.206 0.000 1.403 241 M HN 0.042 nan 8.290 nan 0.000 0.454 242 K N 0.071 120.311 120.400 -0.268 0.000 2.031 242 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 242 K C 1.854 178.224 176.600 -0.383 0.000 1.049 242 K CA 1.091 57.236 56.287 -0.237 0.000 0.939 242 K CB -0.033 32.409 32.500 -0.096 0.000 0.717 242 K HN 0.172 nan 8.250 nan 0.000 0.438 243 I N 1.259 121.426 120.570 -0.671 0.000 2.716 243 I HA -0.050 4.120 4.170 -0.000 0.000 0.259 243 I C 1.693 177.521 176.117 -0.481 0.000 1.172 243 I CA 0.670 61.484 61.300 -0.810 0.000 1.478 243 I CB 0.047 36.982 38.000 -1.775 0.000 1.104 243 I HN 0.164 nan 8.210 nan 0.000 0.439 244 I N 0.167 120.406 120.570 -0.551 0.000 2.361 244 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 244 I C 2.126 178.119 176.117 -0.208 0.000 1.133 244 I CA 1.305 62.364 61.300 -0.402 0.000 1.413 244 I CB -0.309 37.334 38.000 -0.596 0.000 1.073 244 I HN 0.258 nan 8.210 nan 0.000 0.424 245 E N 0.565 120.613 120.200 -0.253 0.000 2.170 245 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 245 E C 2.330 178.764 176.600 -0.278 0.000 0.981 245 E CA 0.848 57.122 56.400 -0.211 0.000 0.830 245 E CB -0.009 29.569 29.700 -0.202 0.000 0.775 245 E HN 0.472 nan 8.360 nan 0.000 0.470 246 A N 0.362 122.941 122.820 -0.401 0.000 1.930 246 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 246 A C 1.716 178.765 177.584 -0.892 0.000 1.175 246 A CA 1.030 52.554 52.037 -0.855 0.000 0.627 246 A CB -0.566 17.834 19.000 -1.001 0.000 0.815 246 A HN 0.235 nan 8.150 nan 0.000 0.443 247 Y N 0.822 120.886 120.300 -0.393 0.000 2.242 247 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 247 Y C 2.912 178.868 175.900 0.093 0.000 1.137 247 Y CA 1.787 59.922 58.100 0.059 0.000 1.181 247 Y CB -0.815 37.943 38.460 0.495 0.000 0.989 247 Y HN 0.306 nan 8.280 nan 0.000 0.527 248 T N -1.210 113.470 114.554 0.211 0.000 2.857 248 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 248 T C 2.184 176.905 174.700 0.035 0.000 1.048 248 T CA 1.294 63.509 62.100 0.191 0.000 1.139 248 T CB -0.729 68.229 68.868 0.150 0.000 0.874 248 T HN 0.521 nan 8.240 nan 0.000 0.455 249 G N 0.113 108.842 108.800 -0.118 0.000 2.403 249 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 249 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 249 G C 1.290 176.151 174.900 -0.064 0.000 1.154 249 G CA 0.121 45.141 45.100 -0.132 0.000 0.784 249 G HN 0.408 nan 8.290 nan 0.000 0.538 250 W N 1.123 122.291 121.300 -0.219 0.000 2.363 250 W HA 0.130 4.790 4.660 -0.000 0.000 0.296 250 W C 2.774 179.175 176.519 -0.197 0.000 1.212 250 W CA 0.790 57.912 57.345 -0.373 0.000 1.260 250 W CB -0.921 27.912 29.460 -1.045 0.000 1.131 250 W HN 0.315 nan 8.180 nan 0.000 0.530 251 A N -0.189 122.691 122.820 0.101 0.000 2.067 251 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 251 A C 1.735 179.399 177.584 0.133 0.000 1.156 251 A CA 1.913 54.068 52.037 0.197 0.000 0.683 251 A CB -0.866 18.268 19.000 0.224 0.000 0.808 251 A HN 0.203 nan 8.150 nan 0.000 0.455 252 T N -4.704 109.909 114.554 0.099 0.000 3.174 252 T HA 0.436 4.786 4.350 -0.000 0.000 0.269 252 T C 1.000 175.741 174.700 0.067 0.000 1.017 252 T CA 0.775 62.919 62.100 0.074 0.000 0.899 252 T CB -0.120 68.782 68.868 0.058 0.000 1.077 252 T HN 1.611 nan 8.240 nan 0.000 0.552 253 G N 2.222 111.077 108.800 0.092 0.000 2.314 253 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.292 253 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.292 253 G C 0.695 175.636 174.900 0.069 0.000 1.059 253 G CA 0.404 45.558 45.100 0.090 0.000 0.982 253 G HN 0.321 nan 8.290 nan 0.000 0.505 254 M N -0.196 119.443 119.600 0.066 0.000 2.218 254 M HA 0.079 4.558 4.480 -0.000 0.000 0.262 254 M C 2.087 178.418 176.300 0.051 0.000 1.081 254 M CA 2.135 57.460 55.300 0.041 0.000 1.100 254 M CB -1.844 30.758 32.600 0.004 0.000 1.258 254 M HN 1.793 nan 8.290 nan 0.000 0.438 255 V N 0.480 120.439 119.914 0.075 0.000 3.605 255 V HA -0.203 3.917 4.120 -0.000 0.000 0.515 255 V C -0.656 175.470 176.094 0.054 0.000 0.682 255 V CA -0.448 61.898 62.300 0.078 0.000 2.069 255 V CB -1.315 30.550 31.823 0.071 0.000 2.488 255 V HN 0.573 nan 8.190 nan 0.000 0.512 256 D N 3.568 124.002 120.400 0.058 0.000 2.411 256 D HA 0.330 4.970 4.640 -0.000 0.000 0.251 256 D C 0.446 176.770 176.300 0.040 0.000 1.201 256 D CA 0.034 54.061 54.000 0.045 0.000 0.996 256 D CB 0.551 41.381 40.800 0.050 0.000 1.101 256 D HN 0.931 nan 8.370 nan 0.000 0.504 257 E N 0.667 120.886 120.200 0.030 0.000 2.081 257 E HA 0.152 4.501 4.350 -0.000 0.000 0.270 257 E C 0.128 176.742 176.600 0.024 0.000 1.180 257 E CA 0.294 56.708 56.400 0.023 0.000 0.926 257 E CB 0.508 30.217 29.700 0.016 0.000 1.035 257 E HN 0.124 nan 8.360 nan 0.000 0.418 258 R N 2.323 122.839 120.500 0.027 0.000 2.604 258 R HA 0.448 4.788 4.340 -0.000 0.000 0.281 258 R C -1.699 174.616 176.300 0.025 0.000 1.020 258 R CA -0.648 55.469 56.100 0.029 0.000 0.899 258 R CB 1.564 31.891 30.300 0.045 0.000 1.205 258 R HN 0.254 nan 8.270 nan 0.000 0.450 259 V N 2.726 122.651 119.914 0.019 0.000 2.495 259 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 259 V C -0.427 175.691 176.094 0.041 0.000 1.031 259 V CA -0.601 61.713 62.300 0.023 0.000 0.871 259 V CB 2.128 33.950 31.823 -0.002 0.000 0.988 259 V HN 0.808 nan 8.190 nan 0.000 0.432 260 T N 4.338 118.932 114.554 0.067 0.000 2.758 260 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 260 T C -0.361 174.418 174.700 0.132 0.000 0.981 260 T CA -0.251 61.917 62.100 0.114 0.000 0.965 260 T CB 1.369 70.332 68.868 0.158 0.000 0.927 260 T HN 0.343 nan 8.240 nan 0.000 0.448 261 V N 5.849 125.854 119.914 0.151 0.000 2.370 261 V HA 0.514 4.634 4.120 -0.000 0.000 0.279 261 V C -0.234 176.045 176.094 0.307 0.000 1.029 261 V CA -0.645 61.781 62.300 0.211 0.000 0.870 261 V CB 0.962 32.876 31.823 0.152 0.000 0.984 261 V HN 0.747 nan 8.190 nan 0.000 0.451 262 I N 6.676 127.438 120.570 0.321 0.000 2.509 262 I HA 0.665 4.835 4.170 -0.000 0.000 0.293 262 I C -0.774 175.515 176.117 0.288 0.000 1.020 262 I CA -0.613 60.842 61.300 0.259 0.000 1.088 262 I CB 1.777 39.850 38.000 0.122 0.000 1.267 262 I HN 0.736 nan 8.210 nan 0.000 0.430 263 Y N 2.583 122.944 120.300 0.103 0.000 2.624 263 Y HA 0.726 5.276 4.550 -0.000 0.000 0.334 263 Y C -1.869 174.028 175.900 -0.005 0.000 1.155 263 Y CA -1.105 57.000 58.100 0.008 0.000 1.046 263 Y CB 1.444 39.987 38.460 0.139 0.000 1.316 263 Y HN 0.412 nan 8.280 nan 0.000 0.457 264 D N 0.207 120.578 120.400 -0.047 0.000 2.450 264 D HA 0.706 5.346 4.640 -0.000 0.000 0.238 264 D C -1.381 174.911 176.300 -0.014 0.000 1.020 264 D CA -0.055 53.862 54.000 -0.140 0.000 1.010 264 D CB 2.695 43.383 40.800 -0.186 0.000 1.342 264 D HN 0.790 nan 8.370 nan 0.000 0.530 265 T N 0.159 114.600 114.554 -0.188 0.000 2.885 265 T HA 0.360 4.710 4.350 -0.000 0.000 0.322 265 T C 0.264 174.757 174.700 -0.344 0.000 1.387 265 T CA -0.305 61.704 62.100 -0.151 0.000 1.041 265 T CB 1.132 70.039 68.868 0.065 0.000 1.287 265 T HN 0.328 nan 8.240 nan 0.000 0.491 266 M N 1.006 120.419 119.600 -0.312 0.000 2.925 266 M HA 0.271 4.750 4.480 -0.000 0.000 0.249 266 M C 1.178 177.213 176.300 -0.441 0.000 1.439 266 M CA 0.202 55.247 55.300 -0.424 0.000 1.217 266 M CB 0.226 32.531 32.600 -0.492 0.000 1.245 266 M HN 0.555 nan 8.290 nan 0.000 0.552 267 H N -0.493 118.548 119.070 -0.049 0.000 2.755 267 H HA 0.397 4.953 4.556 -0.000 0.000 0.273 267 H C 1.234 176.534 175.328 -0.046 0.000 1.055 267 H CA 0.848 56.871 56.048 -0.041 0.000 1.191 267 H CB 0.932 30.676 29.762 -0.029 0.000 1.536 267 H HN 0.593 nan 8.280 nan 0.000 0.529 268 G N 0.426 109.241 108.800 0.026 0.000 2.176 268 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.232 268 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.232 268 G C 1.426 176.303 174.900 -0.039 0.000 0.986 268 G CA 0.657 45.745 45.100 -0.019 0.000 0.643 268 G HN 0.378 nan 8.290 nan 0.000 0.522 269 S N 0.093 115.797 115.700 0.007 0.000 2.368 269 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 269 S C 2.417 177.018 174.600 0.002 0.000 1.029 269 S CA 2.124 60.327 58.200 0.005 0.000 0.988 269 S CB -0.357 62.871 63.200 0.046 0.000 0.838 269 S HN 0.633 nan 8.310 nan 0.000 0.462 270 T N 2.004 116.575 114.554 0.029 0.000 2.788 270 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 270 T C 1.843 176.517 174.700 -0.042 0.000 1.044 270 T CA 1.365 63.517 62.100 0.088 0.000 1.139 270 T CB -0.213 68.709 68.868 0.089 0.000 0.867 270 T HN 0.425 nan 8.240 nan 0.000 0.454 271 R N 1.404 121.766 120.500 -0.231 0.000 2.083 271 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 271 R C 2.260 178.246 176.300 -0.523 0.000 1.137 271 R CA 1.515 57.237 56.100 -0.629 0.000 0.951 271 R CB -0.142 29.900 30.300 -0.429 0.000 0.851 271 R HN 0.269 nan 8.270 nan 0.000 0.434 272 K N 0.151 120.355 120.400 -0.328 0.000 2.044 272 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 272 K C 2.252 178.768 176.600 -0.139 0.000 1.049 272 K CA 2.288 58.438 56.287 -0.230 0.000 0.927 272 K CB -0.218 32.210 32.500 -0.120 0.000 0.713 272 K HN 0.298 nan 8.250 nan 0.000 0.443 273 M N 0.137 119.674 119.600 -0.105 0.000 2.108 273 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 273 M C 2.370 178.479 176.300 -0.319 0.000 1.066 273 M CA 1.797 57.017 55.300 -0.133 0.000 1.107 273 M CB -0.318 32.293 32.600 0.019 0.000 1.356 273 M HN 0.238 nan 8.290 nan 0.000 0.406 274 A N -0.888 121.769 122.820 -0.271 0.000 1.930 274 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 274 A C 1.671 179.199 177.584 -0.093 0.000 1.175 274 A CA 1.644 53.516 52.037 -0.274 0.000 0.627 274 A CB -0.916 17.965 19.000 -0.198 0.000 0.815 274 A HN 0.443 nan 8.150 nan 0.000 0.443 275 H N -0.129 118.803 119.070 -0.231 0.000 2.353 275 H HA 0.070 4.626 4.556 -0.000 0.000 0.300 275 H C 2.440 177.703 175.328 -0.108 0.000 1.090 275 H CA 1.182 57.147 56.048 -0.139 0.000 1.327 275 H CB -0.463 29.236 29.762 -0.105 0.000 1.383 275 H HN 0.485 nan 8.280 nan 0.000 0.508 276 A N 0.525 123.355 122.820 0.015 0.000 1.930 276 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 276 A C 2.472 180.000 177.584 -0.094 0.000 1.175 276 A CA 1.285 53.329 52.037 0.013 0.000 0.627 276 A CB -0.666 18.346 19.000 0.021 0.000 0.815 276 A HN 0.348 nan 8.150 nan 0.000 0.443 277 I N -0.278 120.166 120.570 -0.210 0.000 2.252 277 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 277 I C 2.981 178.957 176.117 -0.236 0.000 1.102 277 I CA 1.007 62.141 61.300 -0.277 0.000 1.385 277 I CB -0.429 37.313 38.000 -0.431 0.000 1.064 277 I HN 0.353 nan 8.210 nan 0.000 0.414 278 A N 0.495 123.207 122.820 -0.180 0.000 1.908 278 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 278 A C 2.256 179.735 177.584 -0.176 0.000 1.181 278 A CA 1.557 53.502 52.037 -0.154 0.000 0.627 278 A CB -0.466 18.451 19.000 -0.138 0.000 0.818 278 A HN 0.340 nan 8.150 nan 0.000 0.445 279 E N -0.429 119.680 120.200 -0.152 0.000 2.085 279 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 279 E C 2.221 178.539 176.600 -0.469 0.000 0.994 279 E CA 1.249 57.582 56.400 -0.112 0.000 0.801 279 E CB -0.816 28.972 29.700 0.147 0.000 0.743 279 E HN 0.580 nan 8.360 nan 0.000 0.453 280 G N 1.158 109.398 108.800 -0.932 0.000 2.446 280 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 280 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 280 G C 1.748 176.251 174.900 -0.662 0.000 1.168 280 G CA 1.523 45.748 45.100 -1.458 0.000 0.771 280 G HN 0.404 nan 8.290 nan 0.000 0.551 281 A N 0.398 122.990 122.820 -0.380 0.000 1.930 281 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 281 A C 2.461 179.949 177.584 -0.161 0.000 1.175 281 A CA 1.711 53.620 52.037 -0.215 0.000 0.627 281 A CB -0.341 18.572 19.000 -0.145 0.000 0.815 281 A HN 0.381 nan 8.150 nan 0.000 0.443 282 M N 0.551 120.057 119.600 -0.157 0.000 2.159 282 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 282 M C 2.294 178.556 176.300 -0.063 0.000 1.063 282 M CA 1.735 56.981 55.300 -0.090 0.000 1.110 282 M CB -0.360 32.199 32.600 -0.068 0.000 1.374 282 M HN 0.623 nan 8.290 nan 0.000 0.411 283 S N -0.489 115.159 115.700 -0.087 0.000 2.547 283 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 283 S C 1.353 175.952 174.600 -0.000 0.000 0.980 283 S CA 0.749 58.954 58.200 0.009 0.000 0.941 283 S CB -0.255 63.027 63.200 0.137 0.000 0.763 283 S HN 0.401 nan 8.310 nan 0.000 0.532 284 E N 0.665 120.840 120.200 -0.042 0.000 2.476 284 E HA 0.233 4.583 4.350 -0.000 0.000 0.196 284 E C 1.261 177.851 176.600 -0.016 0.000 1.029 284 E CA 0.415 56.800 56.400 -0.025 0.000 0.896 284 E CB 0.150 29.824 29.700 -0.042 0.000 1.012 284 E HN 0.677 nan 8.360 nan 0.000 0.475 285 G N 1.229 110.020 108.800 -0.015 0.000 2.153 285 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 285 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 285 G C 0.501 175.396 174.900 -0.007 0.000 0.994 285 G CA 0.562 45.658 45.100 -0.007 0.000 0.698 285 G HN 0.184 nan 8.290 nan 0.000 0.521 286 V N 0.251 120.156 119.914 -0.016 0.000 2.904 286 V HA 0.492 4.612 4.120 -0.000 0.000 0.305 286 V C 0.787 176.875 176.094 -0.009 0.000 1.067 286 V CA -0.342 61.952 62.300 -0.010 0.000 1.044 286 V CB 1.691 33.504 31.823 -0.017 0.000 1.050 286 V HN 0.369 nan 8.190 nan 0.000 0.475 287 D N 1.525 121.927 120.400 0.004 0.000 2.372 287 D HA 0.408 5.048 4.640 -0.000 0.000 0.243 287 D C -0.765 175.534 176.300 -0.000 0.000 1.121 287 D CA 0.308 54.312 54.000 0.007 0.000 0.898 287 D CB 1.237 42.053 40.800 0.027 0.000 1.202 287 D HN 0.223 nan 8.370 nan 0.000 0.428 288 V N 4.238 124.145 119.914 -0.010 0.000 2.841 288 V HA 0.569 4.689 4.120 -0.000 0.000 0.310 288 V C -0.240 175.836 176.094 -0.031 0.000 1.090 288 V CA -0.939 61.348 62.300 -0.022 0.000 0.930 288 V CB 2.073 33.866 31.823 -0.050 0.000 1.014 288 V HN 0.502 nan 8.190 nan 0.000 0.425 289 R N 2.372 122.856 120.500 -0.027 0.000 2.750 289 R HA 0.825 5.164 4.340 -0.000 0.000 0.281 289 R C -1.626 174.592 176.300 -0.136 0.000 0.972 289 R CA -0.769 55.267 56.100 -0.108 0.000 0.912 289 R CB 2.405 32.670 30.300 -0.058 0.000 1.187 289 R HN 0.451 nan 8.270 nan 0.000 0.464 290 V N 3.238 122.973 119.914 -0.298 0.000 2.488 290 V HA 0.384 4.504 4.120 -0.000 0.000 0.293 290 V C -1.237 174.690 176.094 -0.279 0.000 1.027 290 V CA -0.860 61.361 62.300 -0.132 0.000 0.862 290 V CB 1.069 32.876 31.823 -0.028 0.000 1.008 290 V HN 0.579 nan 8.190 nan 0.000 0.428 291 Y N 2.354 122.720 120.300 0.110 0.000 2.496 291 Y HA 0.709 5.259 4.550 -0.000 0.000 0.331 291 Y C 0.331 176.153 175.900 -0.131 0.000 1.140 291 Y CA -0.729 57.382 58.100 0.018 0.000 1.166 291 Y CB 1.868 40.325 38.460 -0.004 0.000 1.249 291 Y HN 0.659 nan 8.280 nan 0.000 0.479 292 C N 4.088 123.351 119.300 -0.062 0.000 2.397 292 C HA 0.419 4.879 4.460 -0.000 0.000 0.325 292 C C 1.051 175.929 174.990 -0.187 0.000 1.201 292 C CA -0.735 58.015 59.018 -0.446 0.000 1.377 292 C CB -0.767 26.721 27.740 -0.420 0.000 2.038 292 C HN 1.038 nan 8.230 nan 0.000 0.457 293 L N 3.744 124.844 121.223 -0.206 0.000 2.353 293 L HA -0.077 4.263 4.340 -0.000 0.000 0.220 293 L C 2.495 179.339 176.870 -0.043 0.000 1.133 293 L CA 0.922 55.709 54.840 -0.089 0.000 0.798 293 L CB -0.572 41.448 42.059 -0.066 0.000 0.922 293 L HN 0.827 nan 8.230 nan 0.000 0.445 294 H N 0.215 119.216 119.070 -0.114 0.000 2.436 294 H HA -0.046 4.510 4.556 -0.000 0.000 0.294 294 H C 1.594 176.900 175.328 -0.037 0.000 1.048 294 H CA 1.217 57.228 56.048 -0.060 0.000 1.353 294 H CB 0.673 30.388 29.762 -0.078 0.000 1.414 294 H HN 0.408 nan 8.280 nan 0.000 0.536 295 E N -0.028 120.238 120.200 0.110 0.000 2.372 295 E HA 0.073 4.423 4.350 -0.000 0.000 0.201 295 E C -0.224 176.407 176.600 0.052 0.000 0.938 295 E CA 0.029 56.488 56.400 0.097 0.000 0.944 295 E CB 0.936 30.692 29.700 0.093 0.000 0.937 295 E HN 0.387 nan 8.360 nan 0.000 0.495 296 D N 1.502 121.925 120.400 0.037 0.000 2.248 296 D HA 0.216 4.856 4.640 -0.000 0.000 0.246 296 D C -0.755 175.521 176.300 -0.040 0.000 1.027 296 D CA -0.394 53.632 54.000 0.044 0.000 0.853 296 D CB 1.942 42.846 40.800 0.172 0.000 1.243 296 D HN -0.128 nan 8.370 nan 0.000 0.462 297 D N -0.176 120.183 120.400 -0.068 0.000 2.304 297 D HA 0.062 4.701 4.640 -0.000 0.000 0.247 297 D C 1.691 177.892 176.300 -0.164 0.000 1.089 297 D CA -0.509 53.422 54.000 -0.114 0.000 0.910 297 D CB 1.128 41.861 40.800 -0.112 0.000 1.199 297 D HN 0.286 nan 8.370 nan 0.000 0.426 298 R N 1.566 121.960 120.500 -0.177 0.000 2.120 298 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 298 R C 1.678 177.917 176.300 -0.103 0.000 1.123 298 R CA 1.590 57.595 56.100 -0.158 0.000 0.975 298 R CB -0.785 29.366 30.300 -0.249 0.000 0.866 298 R HN 0.453 nan 8.270 nan 0.000 0.446 299 S N 0.694 116.292 115.700 -0.169 0.000 2.399 299 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 299 S C 1.714 176.201 174.600 -0.188 0.000 1.022 299 S CA 0.970 59.067 58.200 -0.173 0.000 0.983 299 S CB -0.015 62.949 63.200 -0.393 0.000 0.803 299 S HN 0.350 nan 8.310 nan 0.000 0.480 300 E N 1.309 121.384 120.200 -0.208 0.000 2.076 300 E HA 0.138 4.488 4.350 -0.000 0.000 0.190 300 E C 2.132 178.521 176.600 -0.351 0.000 0.979 300 E CA 0.711 56.988 56.400 -0.205 0.000 0.807 300 E CB -0.417 29.196 29.700 -0.144 0.000 0.761 300 E HN 0.592 nan 8.360 nan 0.000 0.454 301 I N 0.668 120.937 120.570 -0.502 0.000 2.208 301 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 301 I C 2.441 178.418 176.117 -0.234 0.000 1.097 301 I CA 0.873 61.799 61.300 -0.624 0.000 1.363 301 I CB -0.202 37.557 38.000 -0.403 0.000 1.051 301 I HN -0.062 nan 8.210 nan 0.000 0.413 302 V N 0.765 120.649 119.914 -0.050 0.000 2.515 302 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 302 V C 2.505 178.666 176.094 0.112 0.000 1.058 302 V CA 1.667 64.049 62.300 0.137 0.000 1.064 302 V CB -0.525 31.467 31.823 0.282 0.000 0.675 302 V HN 0.398 nan 8.190 nan 0.000 0.461 303 K N -0.318 120.087 120.400 0.009 0.000 2.063 303 K HA -0.234 4.085 4.320 -0.000 0.000 0.208 303 K C 1.777 178.381 176.600 0.006 0.000 1.048 303 K CA 1.953 58.239 56.287 -0.003 0.000 0.928 303 K CB -0.163 32.323 32.500 -0.024 0.000 0.713 303 K HN 0.413 nan 8.250 nan 0.000 0.442 304 D N 0.475 120.884 120.400 0.014 0.000 2.234 304 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 304 D C 1.921 178.222 176.300 0.001 0.000 0.962 304 D CA 0.619 54.659 54.000 0.066 0.000 0.855 304 D CB 0.086 41.012 40.800 0.211 0.000 0.951 304 D HN 0.288 nan 8.370 nan 0.000 0.500 305 I N 0.630 121.149 120.570 -0.085 0.000 2.226 305 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 305 I C 2.377 178.260 176.117 -0.391 0.000 1.100 305 I CA 0.391 61.529 61.300 -0.271 0.000 1.374 305 I CB -0.150 37.579 38.000 -0.452 0.000 1.057 305 I HN 0.027 nan 8.210 nan 0.000 0.413 306 L N 1.037 122.131 121.223 -0.215 0.000 2.021 306 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 306 L C 2.159 179.032 176.870 0.005 0.000 1.074 306 L CA 2.034 56.874 54.840 0.001 0.000 0.760 306 L CB -0.638 41.440 42.059 0.032 0.000 0.889 306 L HN 0.213 nan 8.230 nan 0.000 0.433 307 E N -0.557 119.653 120.200 0.017 0.000 2.476 307 E HA 0.154 4.504 4.350 -0.000 0.000 0.191 307 E C 0.079 176.710 176.600 0.051 0.000 1.064 307 E CA 0.085 56.531 56.400 0.076 0.000 0.866 307 E CB 0.068 29.832 29.700 0.107 0.000 0.952 307 E HN 0.378 nan 8.360 nan 0.000 0.492 308 S N -0.675 115.029 115.700 0.007 0.000 2.473 308 S HA 0.424 4.894 4.470 -0.000 0.000 0.307 308 S C 1.036 175.642 174.600 0.009 0.000 1.094 308 S CA -0.522 57.686 58.200 0.014 0.000 1.070 308 S CB 1.922 65.132 63.200 0.016 0.000 1.019 308 S HN 0.250 nan 8.310 nan 0.000 0.480 309 G N 1.360 110.175 108.800 0.025 0.000 2.511 309 G HA2 0.413 4.373 3.960 -0.000 0.000 0.217 309 G HA3 0.413 4.373 3.960 -0.000 0.000 0.217 309 G C 0.279 175.204 174.900 0.042 0.000 1.133 309 G CA 0.518 45.635 45.100 0.027 0.000 0.792 309 G HN 0.912 nan 8.290 nan 0.000 0.539 310 A N -0.392 122.458 122.820 0.049 0.000 2.539 310 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 310 A C -0.940 176.688 177.584 0.074 0.000 1.073 310 A CA -0.787 51.293 52.037 0.073 0.000 0.700 310 A CB 1.412 20.443 19.000 0.053 0.000 1.296 310 A HN 0.685 nan 8.150 nan 0.000 0.405 311 I N -1.560 119.063 120.570 0.088 0.000 2.785 311 I HA 0.941 5.111 4.170 -0.000 0.000 0.302 311 I C -0.253 175.904 176.117 0.067 0.000 1.069 311 I CA -1.091 60.242 61.300 0.055 0.000 1.045 311 I CB 2.363 40.352 38.000 -0.018 0.000 1.236 311 I HN 0.825 nan 8.210 nan 0.000 0.429 312 A N 5.012 127.900 122.820 0.112 0.000 2.342 312 A HA 0.816 5.136 4.320 -0.000 0.000 0.323 312 A C -1.381 176.353 177.584 0.250 0.000 1.125 312 A CA -0.546 51.621 52.037 0.216 0.000 0.785 312 A CB 1.516 20.671 19.000 0.259 0.000 1.221 312 A HN 0.733 nan 8.150 nan 0.000 0.463 313 L N 2.334 123.651 121.223 0.157 0.000 2.349 313 L HA 0.806 5.146 4.340 -0.000 0.000 0.278 313 L C 0.165 176.785 176.870 -0.417 0.000 0.996 313 L CA 0.032 54.845 54.840 -0.045 0.000 0.825 313 L CB 1.668 43.666 42.059 -0.102 0.000 1.243 313 L HN 0.819 nan 8.230 nan 0.000 0.412 314 G N 3.461 111.856 108.800 -0.674 0.000 2.542 314 G HA2 0.883 4.843 3.960 -0.000 0.000 0.311 314 G HA3 0.883 4.843 3.960 -0.000 0.000 0.311 314 G C -1.707 172.901 174.900 -0.487 0.000 1.298 314 G CA -0.152 44.133 45.100 -1.357 0.000 0.973 314 G HN 1.060 nan 8.290 nan 0.000 0.487 315 A N 2.761 125.364 122.820 -0.361 0.000 2.583 315 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 315 A C -3.144 174.404 177.584 -0.060 0.000 1.055 315 A CA -1.026 50.941 52.037 -0.118 0.000 0.714 315 A CB 1.861 20.838 19.000 -0.038 0.000 1.277 315 A HN 0.560 nan 8.150 nan 0.000 0.406 316 P HA 0.395 nan 4.420 nan 0.000 0.276 316 P C 0.051 177.380 177.300 0.047 0.000 1.252 316 P CA 0.049 63.160 63.100 0.020 0.000 0.802 316 P CB 0.975 32.688 31.700 0.022 0.000 1.035 317 T N 0.396 114.965 114.554 0.025 0.000 2.837 317 T HA 0.565 4.914 4.350 -0.000 0.000 0.285 317 T C -0.345 174.352 174.700 -0.006 0.000 0.984 317 T CA -0.633 61.478 62.100 0.018 0.000 1.049 317 T CB -0.462 68.412 68.868 0.011 0.000 0.947 317 T HN 0.196 nan 8.240 nan 0.000 0.472 318 I N 5.216 125.776 120.570 -0.018 0.000 2.468 318 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 318 I C -0.827 175.268 176.117 -0.038 0.000 1.038 318 I CA -1.047 60.180 61.300 -0.122 0.000 1.083 318 I CB 1.291 39.232 38.000 -0.098 0.000 1.223 318 I HN 0.760 nan 8.210 nan 0.000 0.443 319 Y N 5.395 125.713 120.300 0.031 0.000 3.001 319 Y HA -0.293 4.257 4.550 -0.000 0.000 0.199 319 Y C 0.893 176.800 175.900 0.011 0.000 1.320 319 Y CA 0.921 59.032 58.100 0.019 0.000 0.974 319 Y CB -2.033 36.433 38.460 0.010 0.000 1.291 319 Y HN 0.804 nan 8.280 nan 0.000 0.465 320 D N -2.488 117.991 120.400 0.132 0.000 2.946 320 D HA -0.187 4.453 4.640 -0.000 0.000 0.202 320 D C 0.190 176.523 176.300 0.055 0.000 1.068 320 D CA 1.647 55.694 54.000 0.079 0.000 1.011 320 D CB -0.314 40.531 40.800 0.074 0.000 1.105 320 D HN 0.567 nan 8.370 nan 0.000 0.425 321 E N -0.301 119.931 120.200 0.053 0.000 2.281 321 E HA 0.535 4.885 4.350 -0.000 0.000 0.262 321 E C -2.440 174.173 176.600 0.020 0.000 0.933 321 E CA -1.966 54.452 56.400 0.030 0.000 0.809 321 E CB 1.046 30.761 29.700 0.025 0.000 1.242 321 E HN -0.079 nan 8.360 nan 0.000 0.418 322 P HA -0.015 nan 4.420 nan 0.000 0.269 322 P C -0.372 176.951 177.300 0.038 0.000 1.209 322 P CA -0.018 63.097 63.100 0.024 0.000 0.776 322 P CB 0.062 31.767 31.700 0.008 0.000 0.876 323 Y N 6.239 126.517 120.300 -0.037 0.000 2.895 323 Y HA -0.084 4.466 4.550 -0.000 0.000 0.334 323 Y C -0.940 174.943 175.900 -0.028 0.000 1.261 323 Y CA -0.658 57.422 58.100 -0.033 0.000 1.560 323 Y CB -0.032 38.407 38.460 -0.036 0.000 1.253 323 Y HN 0.450 nan 8.280 nan 0.000 0.582 324 P HA -0.202 nan 4.420 nan 0.000 0.222 324 P C 1.404 178.636 177.300 -0.113 0.000 1.147 324 P CA 1.893 64.844 63.100 -0.248 0.000 0.790 324 P CB -0.065 31.451 31.700 -0.307 0.000 0.780 325 S N -0.006 115.680 115.700 -0.024 0.000 2.374 325 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 325 S C 2.061 176.679 174.600 0.030 0.000 1.037 325 S CA 1.574 59.806 58.200 0.054 0.000 1.024 325 S CB -1.952 61.350 63.200 0.170 0.000 0.861 325 S HN -0.004 nan 8.310 nan 0.000 0.456 326 V N 2.596 122.540 119.914 0.051 0.000 2.453 326 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 326 V C 2.880 178.975 176.094 0.002 0.000 1.068 326 V CA 1.847 64.156 62.300 0.014 0.000 1.070 326 V CB -1.800 30.029 31.823 0.011 0.000 0.664 326 V HN 0.697 nan 8.190 nan 0.000 0.461 327 G N -0.679 108.118 108.800 -0.005 0.000 2.432 327 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 327 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 327 G C 1.429 176.331 174.900 0.004 0.000 1.135 327 G CA 0.952 46.048 45.100 -0.006 0.000 0.767 327 G HN 0.547 nan 8.290 nan 0.000 0.550 328 D N 0.394 120.792 120.400 -0.004 0.000 2.075 328 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 328 D C 2.497 178.818 176.300 0.036 0.000 0.985 328 D CA 0.815 54.813 54.000 -0.003 0.000 0.834 328 D CB -0.246 40.532 40.800 -0.037 0.000 0.987 328 D HN 0.145 nan 8.370 nan 0.000 0.452 329 L N 0.964 122.208 121.223 0.035 0.000 2.043 329 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 329 L C 2.522 179.468 176.870 0.127 0.000 1.075 329 L CA 1.380 56.276 54.840 0.093 0.000 0.752 329 L CB -0.635 41.449 42.059 0.041 0.000 0.891 329 L HN 0.128 nan 8.230 nan 0.000 0.432 330 L N -1.618 119.645 121.223 0.067 0.000 2.141 330 L HA -0.202 4.137 4.340 -0.000 0.000 0.209 330 L C 2.531 179.453 176.870 0.086 0.000 1.094 330 L CA 1.484 56.360 54.840 0.060 0.000 0.763 330 L CB -0.424 41.650 42.059 0.025 0.000 0.908 330 L HN 0.406 nan 8.230 nan 0.000 0.437 331 M N -1.612 118.042 119.600 0.090 0.000 2.254 331 M HA -0.240 4.240 4.480 -0.000 0.000 0.265 331 M C 2.304 178.691 176.300 0.145 0.000 1.066 331 M CA 1.620 56.975 55.300 0.092 0.000 1.123 331 M CB -0.086 32.556 32.600 0.070 0.000 1.388 331 M HN 0.180 nan 8.290 nan 0.000 0.425 332 Y N 0.990 121.303 120.300 0.022 0.000 2.184 332 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 332 Y C 1.752 177.681 175.900 0.048 0.000 1.129 332 Y CA 1.659 59.775 58.100 0.026 0.000 1.144 332 Y CB -0.520 37.955 38.460 0.023 0.000 0.995 332 Y HN 0.172 nan 8.280 nan 0.000 0.513 333 L N -0.153 121.120 121.223 0.084 0.000 2.191 333 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 333 L C 2.660 179.578 176.870 0.080 0.000 1.103 333 L CA 1.356 56.260 54.840 0.105 0.000 0.769 333 L CB -0.478 41.736 42.059 0.258 0.000 0.908 333 L HN 0.145 nan 8.230 nan 0.000 0.438 334 R N 0.069 120.606 120.500 0.062 0.000 2.092 334 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 334 R C 2.203 178.492 176.300 -0.018 0.000 1.119 334 R CA 1.333 57.458 56.100 0.042 0.000 0.970 334 R CB -0.269 30.057 30.300 0.045 0.000 0.864 334 R HN 0.392 nan 8.270 nan 0.000 0.440 335 G N -0.025 108.741 108.800 -0.058 0.000 2.494 335 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 335 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 335 G C 1.124 175.918 174.900 -0.177 0.000 1.140 335 G CA -0.058 44.985 45.100 -0.095 0.000 0.801 335 G HN 0.119 nan 8.290 nan 0.000 0.536 336 L N 0.303 121.361 121.223 -0.275 0.000 2.109 336 L HA 0.182 4.522 4.340 -0.000 0.000 0.207 336 L C 1.235 177.867 176.870 -0.397 0.000 1.086 336 L CA 0.739 55.321 54.840 -0.431 0.000 0.760 336 L CB -0.396 41.274 42.059 -0.648 0.000 0.910 336 L HN 0.311 nan 8.230 nan 0.000 0.437 337 K N -0.986 119.275 120.400 -0.232 0.000 3.974 337 K HA -0.267 4.053 4.320 -0.000 0.000 0.280 337 K C 0.744 177.237 176.600 -0.179 0.000 0.949 337 K CA 0.380 56.578 56.287 -0.148 0.000 0.817 337 K CB -2.370 30.061 32.500 -0.115 0.000 1.535 337 K HN 0.135 nan 8.250 nan 0.000 0.444 338 F N 1.559 121.429 119.950 -0.133 0.000 2.307 338 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 338 F C 2.325 178.004 175.800 -0.201 0.000 1.076 338 F CA 1.498 59.398 58.000 -0.167 0.000 1.383 338 F CB -0.144 38.721 39.000 -0.225 0.000 1.055 338 F HN 0.505 nan 8.300 nan 0.000 0.526 339 N N 1.060 119.719 118.700 -0.069 0.000 2.453 339 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 339 N C 1.451 176.941 175.510 -0.032 0.000 1.041 339 N CA 0.793 53.794 53.050 -0.082 0.000 0.900 339 N CB -0.567 37.864 38.487 -0.093 0.000 0.961 339 N HN 0.344 nan 8.380 nan 0.000 0.443 340 R N 0.191 120.675 120.500 -0.027 0.000 2.189 340 R HA -0.027 4.313 4.340 -0.000 0.000 0.218 340 R C 1.919 178.234 176.300 0.025 0.000 1.074 340 R CA 1.645 57.737 56.100 -0.013 0.000 0.991 340 R CB -0.082 30.194 30.300 -0.039 0.000 0.883 340 R HN 0.582 nan 8.270 nan 0.000 0.457 341 T N -2.650 111.938 114.554 0.057 0.000 3.044 341 T HA 0.223 4.573 4.350 -0.000 0.000 0.237 341 T C 0.820 175.558 174.700 0.063 0.000 1.001 341 T CA 0.033 62.191 62.100 0.096 0.000 1.160 341 T CB 0.423 69.399 68.868 0.180 0.000 0.889 341 T HN 0.019 nan 8.240 nan 0.000 0.442 342 L N 1.225 122.473 121.223 0.041 0.000 2.545 342 L HA 0.421 4.761 4.340 -0.000 0.000 0.258 342 L C -1.499 175.332 176.870 -0.065 0.000 0.942 342 L CA -0.715 54.126 54.840 0.002 0.000 0.855 342 L CB 2.474 44.542 42.059 0.016 0.000 1.374 342 L HN 0.159 nan 8.230 nan 0.000 0.411 343 T N 3.700 118.214 114.554 -0.067 0.000 2.776 343 T HA 0.331 4.681 4.350 -0.000 0.000 0.292 343 T C 0.223 174.872 174.700 -0.085 0.000 0.921 343 T CA -0.290 61.744 62.100 -0.110 0.000 1.038 343 T CB -0.161 68.674 68.868 -0.054 0.000 0.910 343 T HN 0.416 nan 8.240 nan 0.000 0.536 344 R N 2.432 122.836 120.500 -0.161 0.000 2.582 344 R HA 0.299 4.639 4.340 -0.000 0.000 0.271 344 R C 0.460 176.835 176.300 0.125 0.000 1.078 344 R CA -0.633 55.459 56.100 -0.013 0.000 1.127 344 R CB 0.623 30.928 30.300 0.009 0.000 1.038 344 R HN 0.334 nan 8.270 nan 0.000 0.500 345 K N 1.269 121.748 120.400 0.131 0.000 2.205 345 K HA 0.398 4.718 4.320 -0.000 0.000 0.279 345 K C -0.617 176.089 176.600 0.177 0.000 1.027 345 K CA -0.327 56.041 56.287 0.136 0.000 0.932 345 K CB 1.892 34.441 32.500 0.081 0.000 1.032 345 K HN 0.652 nan 8.250 nan 0.000 0.466 346 A N 3.229 126.147 122.820 0.163 0.000 2.343 346 A HA 0.488 4.808 4.320 -0.000 0.000 0.308 346 A C -1.270 176.367 177.584 0.088 0.000 1.092 346 A CA -0.777 51.328 52.037 0.113 0.000 0.751 346 A CB 0.916 19.962 19.000 0.077 0.000 1.203 346 A HN 0.564 nan 8.150 nan 0.000 0.452 347 L N 3.411 124.690 121.223 0.093 0.000 2.295 347 L HA 0.746 5.086 4.340 -0.000 0.000 0.285 347 L C -0.947 176.033 176.870 0.184 0.000 1.035 347 L CA -0.238 54.676 54.840 0.123 0.000 0.806 347 L CB 1.723 43.848 42.059 0.111 0.000 1.214 347 L HN 0.415 nan 8.230 nan 0.000 0.426 348 V N 6.305 126.322 119.914 0.170 0.000 2.495 348 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 348 V C -0.441 175.790 176.094 0.228 0.000 1.031 348 V CA -0.358 62.021 62.300 0.132 0.000 0.871 348 V CB 1.229 33.081 31.823 0.047 0.000 0.988 348 V HN 0.737 nan 8.190 nan 0.000 0.432 349 F N 1.840 121.806 119.950 0.026 0.000 2.685 349 F HA 1.049 5.576 4.527 -0.000 0.000 0.315 349 F C -0.072 175.747 175.800 0.033 0.000 1.126 349 F CA -0.765 57.251 58.000 0.027 0.000 0.950 349 F CB 1.886 40.898 39.000 0.022 0.000 1.360 349 F HN 0.829 nan 8.300 nan 0.000 0.469 350 G N 0.152 109.046 108.800 0.157 0.000 2.377 350 G HA2 0.449 4.409 3.960 -0.000 0.000 0.297 350 G HA3 0.449 4.409 3.960 -0.000 0.000 0.297 350 G C -2.113 172.844 174.900 0.094 0.000 1.547 350 G CA -0.482 44.645 45.100 0.044 0.000 0.833 350 G HN 0.872 nan 8.290 nan 0.000 0.583 351 S N -0.957 114.785 115.700 0.069 0.000 2.646 351 S HA 0.857 5.327 4.470 -0.000 0.000 0.276 351 S C 0.120 174.726 174.600 0.011 0.000 1.222 351 S CA 0.140 58.369 58.200 0.048 0.000 1.014 351 S CB 0.763 63.995 63.200 0.055 0.000 0.991 351 S HN 1.378 nan 8.310 nan 0.000 0.533 352 M N 1.571 121.148 119.600 -0.039 0.000 2.644 352 M HA 0.714 5.194 4.480 -0.000 0.000 0.273 352 M C 0.143 176.274 176.300 -0.283 0.000 1.253 352 M CA -0.518 54.735 55.300 -0.077 0.000 0.852 352 M CB 0.911 33.501 32.600 -0.017 0.000 1.708 352 M HN 0.465 nan 8.290 nan 0.000 0.471 353 G N -0.747 107.887 108.800 -0.278 0.000 2.780 353 G HA2 0.558 4.518 3.960 -0.000 0.000 0.198 353 G HA3 0.558 4.518 3.960 -0.000 0.000 0.198 353 G C 0.352 175.184 174.900 -0.113 0.000 1.067 353 G CA 0.403 45.157 45.100 -0.576 0.000 0.765 353 G HN 1.036 nan 8.290 nan 0.000 0.581 354 G N 0.677 109.471 108.800 -0.009 0.000 2.887 354 G HA2 0.133 4.093 3.960 -0.000 0.000 0.210 354 G HA3 0.133 4.093 3.960 -0.000 0.000 0.210 354 G C 0.853 175.762 174.900 0.014 0.000 1.964 354 G CA 0.325 45.449 45.100 0.040 0.000 0.738 354 G HN 0.235 nan 8.290 nan 0.000 0.790 355 N N -0.046 118.664 118.700 0.017 0.000 2.354 355 N HA 0.292 5.032 4.740 -0.000 0.000 0.179 355 N C 1.171 176.686 175.510 0.009 0.000 1.021 355 N CA 0.785 53.840 53.050 0.008 0.000 0.887 355 N CB 0.315 38.812 38.487 0.017 0.000 0.974 355 N HN 0.816 nan 8.380 nan 0.000 0.437 356 G N -0.848 107.959 108.800 0.012 0.000 2.642 356 G HA2 0.035 3.995 3.960 -0.000 0.000 0.231 356 G HA3 0.035 3.995 3.960 -0.000 0.000 0.231 356 G C 0.451 175.361 174.900 0.017 0.000 1.338 356 G CA -0.281 44.826 45.100 0.013 0.000 0.883 356 G HN 0.680 nan 8.290 nan 0.000 0.570 357 G N -3.050 105.760 108.800 0.017 0.000 2.425 357 G HA2 0.325 4.285 3.960 -0.000 0.000 0.177 357 G HA3 0.325 4.285 3.960 -0.000 0.000 0.177 357 G C 1.516 176.425 174.900 0.014 0.000 0.999 357 G CA 1.298 46.408 45.100 0.017 0.000 0.723 357 G HN 2.314 nan 8.290 nan 0.000 0.491 358 A N 0.919 123.745 122.820 0.010 0.000 1.877 358 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 358 A C 2.714 180.293 177.584 -0.008 0.000 1.186 358 A CA 3.317 55.355 52.037 0.001 0.000 0.620 358 A CB -1.251 17.747 19.000 -0.004 0.000 0.822 358 A HN 1.346 nan 8.150 nan 0.000 0.443 359 T N -1.904 112.648 114.554 -0.004 0.000 2.652 359 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 359 T C 1.986 176.692 174.700 0.010 0.000 1.039 359 T CA 1.706 63.807 62.100 0.002 0.000 1.153 359 T CB -1.307 67.576 68.868 0.025 0.000 0.863 359 T HN 0.499 nan 8.240 nan 0.000 0.428 360 G N 1.534 110.344 108.800 0.016 0.000 2.491 360 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 360 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 360 G C 1.755 176.664 174.900 0.015 0.000 1.180 360 G CA 1.601 46.711 45.100 0.018 0.000 0.774 360 G HN 0.550 nan 8.290 nan 0.000 0.562 361 T N 1.197 115.758 114.554 0.012 0.000 2.821 361 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 361 T C 2.535 177.239 174.700 0.006 0.000 1.046 361 T CA 1.273 63.379 62.100 0.010 0.000 1.139 361 T CB -0.178 68.696 68.868 0.010 0.000 0.871 361 T HN 0.195 nan 8.240 nan 0.000 0.454 362 M N 0.780 120.379 119.600 -0.003 0.000 2.117 362 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 362 M C 2.421 178.718 176.300 -0.004 0.000 1.065 362 M CA 1.489 56.780 55.300 -0.015 0.000 1.114 362 M CB -0.386 32.190 32.600 -0.039 0.000 1.361 362 M HN 0.127 nan 8.290 nan 0.000 0.408 363 K N 0.891 121.296 120.400 0.009 0.000 2.032 363 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 363 K C 1.749 178.370 176.600 0.036 0.000 1.048 363 K CA 1.811 58.114 56.287 0.026 0.000 0.927 363 K CB -0.073 32.446 32.500 0.031 0.000 0.712 363 K HN 0.252 nan 8.250 nan 0.000 0.441 364 E N 0.180 120.398 120.200 0.030 0.000 2.070 364 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 364 E C 1.970 178.594 176.600 0.039 0.000 1.004 364 E CA 1.865 58.284 56.400 0.033 0.000 0.805 364 E CB -0.057 29.658 29.700 0.025 0.000 0.744 364 E HN 0.332 nan 8.360 nan 0.000 0.451 365 L N 0.144 121.387 121.223 0.033 0.000 2.179 365 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 365 L C 2.410 179.317 176.870 0.061 0.000 1.096 365 L CA 0.385 55.248 54.840 0.039 0.000 0.779 365 L CB -0.248 41.825 42.059 0.024 0.000 0.922 365 L HN 0.174 nan 8.230 nan 0.000 0.443 366 L N 0.103 121.355 121.223 0.048 0.000 2.083 366 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 366 L C 2.826 179.820 176.870 0.207 0.000 1.083 366 L CA 1.200 56.087 54.840 0.078 0.000 0.752 366 L CB -0.575 41.477 42.059 -0.013 0.000 0.899 366 L HN 0.270 nan 8.230 nan 0.000 0.433 367 A N -0.526 122.378 122.820 0.140 0.000 2.067 367 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 367 A C 2.078 179.730 177.584 0.113 0.000 1.158 367 A CA 1.331 53.446 52.037 0.130 0.000 0.661 367 A CB -0.298 18.753 19.000 0.085 0.000 0.801 367 A HN 0.458 nan 8.150 nan 0.000 0.452 368 E N -0.451 119.811 120.200 0.103 0.000 2.216 368 E HA 0.073 4.423 4.350 -0.000 0.000 0.192 368 E C 1.767 178.433 176.600 0.110 0.000 0.988 368 E CA 0.612 57.062 56.400 0.083 0.000 0.834 368 E CB -0.107 29.630 29.700 0.061 0.000 0.772 368 E HN 0.573 nan 8.360 nan 0.000 0.479 369 A N 0.475 123.407 122.820 0.187 0.000 2.259 369 A HA 0.289 4.609 4.320 -0.000 0.000 0.208 369 A C 1.383 179.125 177.584 0.263 0.000 1.201 369 A CA 0.618 52.816 52.037 0.268 0.000 0.824 369 A CB -0.427 18.803 19.000 0.384 0.000 0.838 369 A HN 0.264 nan 8.150 nan 0.000 0.485 370 G N -1.372 107.520 108.800 0.154 0.000 2.225 370 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.264 370 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.264 370 G C -0.251 174.552 174.900 -0.163 0.000 1.060 370 G CA 0.147 45.244 45.100 -0.005 0.000 0.833 370 G HN 0.306 nan 8.290 nan 0.000 0.498 371 F N -0.247 119.736 119.950 0.054 0.000 2.470 371 F HA 0.534 5.061 4.527 -0.000 0.000 0.329 371 F C 0.477 176.300 175.800 0.037 0.000 1.072 371 F CA -1.253 56.774 58.000 0.046 0.000 0.989 371 F CB 1.626 40.651 39.000 0.043 0.000 1.193 371 F HN -0.006 nan 8.300 nan 0.000 0.481 372 D N 2.390 122.910 120.400 0.200 0.000 2.524 372 D HA 0.116 4.756 4.640 -0.000 0.000 0.222 372 D C -1.060 175.316 176.300 0.126 0.000 1.142 372 D CA 0.153 54.224 54.000 0.120 0.000 0.973 372 D CB 0.791 41.636 40.800 0.074 0.000 1.025 372 D HN 0.263 nan 8.370 nan 0.000 0.519 373 V N 2.603 122.589 119.914 0.121 0.000 2.385 373 V HA 0.676 4.796 4.120 -0.000 0.000 0.269 373 V C -0.504 175.634 176.094 0.072 0.000 1.043 373 V CA -0.207 62.152 62.300 0.099 0.000 0.906 373 V CB 0.594 32.473 31.823 0.093 0.000 0.995 373 V HN 0.549 nan 8.190 nan 0.000 0.467 374 A N 5.014 127.873 122.820 0.066 0.000 2.475 374 A HA 0.819 5.139 4.320 -0.000 0.000 0.301 374 A C -0.279 177.337 177.584 0.055 0.000 1.059 374 A CA -0.191 51.879 52.037 0.054 0.000 0.710 374 A CB 1.296 20.324 19.000 0.046 0.000 1.288 374 A HN 1.673 nan 8.150 nan 0.000 0.408 375 C N 0.734 120.064 119.300 0.050 0.000 0.169 375 C HA 0.032 4.492 4.460 -0.000 0.000 0.017 375 C C -0.250 174.780 174.990 0.067 0.000 0.171 375 C CA 0.635 59.684 59.018 0.053 0.000 0.502 375 C CB -1.840 25.928 27.740 0.048 0.000 3.212 375 C HN 1.223 nan 8.230 nan 0.000 1.118 376 E N 1.695 121.936 120.200 0.069 0.000 2.292 376 E HA 0.676 5.026 4.350 -0.000 0.000 0.272 376 E C -1.159 175.497 176.600 0.094 0.000 0.881 376 E CA -0.661 55.793 56.400 0.091 0.000 0.754 376 E CB 1.893 31.637 29.700 0.074 0.000 1.201 376 E HN 0.546 nan 8.360 nan 0.000 0.425 377 E N 2.299 122.580 120.200 0.135 0.000 2.081 377 E HA 0.197 4.547 4.350 -0.000 0.000 0.276 377 E C -1.103 175.585 176.600 0.147 0.000 0.950 377 E CA -0.289 56.186 56.400 0.124 0.000 0.776 377 E CB 1.602 31.367 29.700 0.109 0.000 1.094 377 E HN 0.596 nan 8.360 nan 0.000 0.402 378 E N 2.456 122.717 120.200 0.101 0.000 2.176 378 E HA 0.427 4.777 4.350 -0.000 0.000 0.267 378 E C -1.292 175.360 176.600 0.087 0.000 0.893 378 E CA -0.676 55.779 56.400 0.092 0.000 0.761 378 E CB 1.342 31.081 29.700 0.065 0.000 1.133 378 E HN 0.093 nan 8.360 nan 0.000 0.409 379 V N 4.763 124.735 119.914 0.096 0.000 2.680 379 V HA 0.230 4.350 4.120 -0.000 0.000 0.309 379 V C -0.954 175.208 176.094 0.113 0.000 1.052 379 V CA -0.833 61.528 62.300 0.102 0.000 0.908 379 V CB 1.653 33.531 31.823 0.092 0.000 1.001 379 V HN 0.716 nan 8.190 nan 0.000 0.431 380 Y N 5.315 125.604 120.300 -0.019 0.000 2.404 380 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 380 Y C 0.432 176.337 175.900 0.007 0.000 0.995 380 Y CA 0.175 58.221 58.100 -0.090 0.000 1.201 380 Y CB -0.102 38.312 38.460 -0.077 0.000 1.151 380 Y HN 0.727 nan 8.280 nan 0.000 0.517 381 Y N 1.324 121.415 120.300 -0.348 0.000 2.864 381 Y HA -0.396 4.154 4.550 -0.000 0.000 0.468 381 Y C 0.197 176.009 175.900 -0.147 0.000 1.175 381 Y CA 0.474 58.373 58.100 -0.333 0.000 2.601 381 Y CB -1.797 36.327 38.460 -0.561 0.000 1.207 381 Y HN 0.331 nan 8.280 nan 0.000 0.627 382 V N 4.839 124.798 119.914 0.075 0.000 2.488 382 V HA 0.249 4.369 4.120 -0.000 0.000 0.277 382 V C -1.875 174.242 176.094 0.038 0.000 1.046 382 V CA -1.270 61.047 62.300 0.029 0.000 0.986 382 V CB 0.902 32.718 31.823 -0.013 0.000 0.989 382 V HN 0.336 nan 8.190 nan 0.000 0.475 383 P HA 0.134 nan 4.420 nan 0.000 0.271 383 P C 0.215 177.530 177.300 0.026 0.000 1.220 383 P CA -0.017 63.105 63.100 0.037 0.000 0.768 383 P CB 0.568 32.284 31.700 0.026 0.000 0.848 384 T N -0.247 114.327 114.554 0.034 0.000 2.698 384 T HA 0.190 4.540 4.350 -0.000 0.000 0.295 384 T C 1.836 176.543 174.700 0.012 0.000 1.007 384 T CA 0.219 62.333 62.100 0.023 0.000 0.980 384 T CB -0.173 68.712 68.868 0.029 0.000 1.036 384 T HN 0.415 nan 8.240 nan 0.000 0.526 385 G N -0.234 108.568 108.800 0.004 0.000 2.418 385 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 385 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 385 G C 1.250 176.146 174.900 -0.006 0.000 1.158 385 G CA 0.625 45.722 45.100 -0.005 0.000 0.771 385 G HN 0.813 nan 8.290 nan 0.000 0.545 386 D N 0.585 120.985 120.400 0.000 0.000 2.149 386 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 386 D C 2.346 178.654 176.300 0.013 0.000 0.972 386 D CA 0.727 54.728 54.000 0.001 0.000 0.835 386 D CB -0.066 40.737 40.800 0.005 0.000 0.966 386 D HN 0.450 nan 8.370 nan 0.000 0.476 387 E N 0.298 120.512 120.200 0.022 0.000 2.204 387 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 387 E C 2.248 178.864 176.600 0.027 0.000 0.989 387 E CA 0.241 56.659 56.400 0.031 0.000 0.824 387 E CB 0.121 29.846 29.700 0.042 0.000 0.756 387 E HN 0.267 nan 8.360 nan 0.000 0.477 388 L N 0.877 122.112 121.223 0.021 0.000 2.131 388 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 388 L C 1.771 178.674 176.870 0.054 0.000 1.087 388 L CA 0.723 55.578 54.840 0.025 0.000 0.767 388 L CB -0.188 41.881 42.059 0.016 0.000 0.917 388 L HN 0.014 nan 8.230 nan 0.000 0.441 389 D N 0.564 120.979 120.400 0.026 0.000 2.158 389 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 389 D C 2.184 178.535 176.300 0.086 0.000 0.995 389 D CA 1.532 55.541 54.000 0.017 0.000 0.846 389 D CB -0.041 40.734 40.800 -0.042 0.000 0.941 389 D HN 0.327 nan 8.370 nan 0.000 0.456 390 A N -0.044 122.812 122.820 0.060 0.000 1.929 390 A HA -0.135 4.184 4.320 -0.000 0.000 0.216 390 A C 2.442 180.060 177.584 0.057 0.000 1.176 390 A CA 1.059 53.132 52.037 0.059 0.000 0.628 390 A CB -0.721 18.303 19.000 0.040 0.000 0.816 390 A HN 0.360 nan 8.150 nan 0.000 0.444 391 C N -1.979 117.344 119.300 0.039 0.000 2.446 391 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 391 C C 2.354 177.341 174.990 -0.004 0.000 1.275 391 C CA 0.690 59.694 59.018 -0.023 0.000 1.727 391 C CB -1.710 25.981 27.740 -0.082 0.000 2.010 391 C HN 0.689 nan 8.230 nan 0.000 0.486 392 F N 2.462 122.368 119.950 -0.074 0.000 2.043 392 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 392 F C 2.473 178.245 175.800 -0.048 0.000 1.118 392 F CA 2.474 60.438 58.000 -0.060 0.000 1.202 392 F CB -0.335 38.640 39.000 -0.042 0.000 0.965 392 F HN 0.156 nan 8.300 nan 0.000 0.482 393 E N 0.685 121.063 120.200 0.297 0.000 2.085 393 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 393 E C 2.102 178.717 176.600 0.026 0.000 0.994 393 E CA 1.558 58.064 56.400 0.177 0.000 0.801 393 E CB -0.667 29.125 29.700 0.152 0.000 0.743 393 E HN 0.452 nan 8.360 nan 0.000 0.453 394 A N 0.076 122.897 122.820 0.001 0.000 1.933 394 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 394 A C 2.471 180.007 177.584 -0.080 0.000 1.175 394 A CA 1.835 53.855 52.037 -0.029 0.000 0.628 394 A CB -1.308 17.677 19.000 -0.026 0.000 0.814 394 A HN 0.418 nan 8.150 nan 0.000 0.444 395 G N -0.801 107.908 108.800 -0.151 0.000 2.418 395 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 395 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 395 G C 1.748 176.522 174.900 -0.209 0.000 1.158 395 G CA 0.946 45.922 45.100 -0.208 0.000 0.771 395 G HN 0.525 nan 8.290 nan 0.000 0.545 396 R N 0.556 120.904 120.500 -0.253 0.000 2.096 396 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 396 R C 2.453 178.704 176.300 -0.081 0.000 1.127 396 R CA 1.513 57.499 56.100 -0.191 0.000 0.968 396 R CB -0.255 29.962 30.300 -0.138 0.000 0.861 396 R HN 0.307 nan 8.270 nan 0.000 0.440 397 K N 0.685 121.056 120.400 -0.049 0.000 2.097 397 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 397 K C 2.082 178.671 176.600 -0.018 0.000 1.050 397 K CA 0.795 57.072 56.287 -0.018 0.000 0.938 397 K CB -0.075 32.424 32.500 -0.002 0.000 0.718 397 K HN 0.239 nan 8.250 nan 0.000 0.442 398 L N 0.791 121.995 121.223 -0.031 0.000 2.027 398 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 398 L C 2.448 179.307 176.870 -0.019 0.000 1.074 398 L CA 1.682 56.512 54.840 -0.017 0.000 0.745 398 L CB -0.713 41.332 42.059 -0.022 0.000 0.898 398 L HN 0.245 nan 8.230 nan 0.000 0.433 399 A N -0.244 122.550 122.820 -0.043 0.000 1.902 399 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 399 A C 2.454 180.026 177.584 -0.020 0.000 1.181 399 A CA 1.761 53.776 52.037 -0.037 0.000 0.623 399 A CB -0.750 18.211 19.000 -0.064 0.000 0.818 399 A HN 0.530 nan 8.150 nan 0.000 0.443 400 A N -0.100 122.707 122.820 -0.021 0.000 1.908 400 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 400 A C 1.966 179.551 177.584 0.002 0.000 1.181 400 A CA 2.131 54.163 52.037 -0.007 0.000 0.627 400 A CB -0.580 18.417 19.000 -0.004 0.000 0.818 400 A HN 0.653 nan 8.150 nan 0.000 0.445 401 E N 0.109 120.312 120.200 0.004 0.000 2.265 401 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 401 E C 1.388 177.996 176.600 0.013 0.000 0.996 401 E CA 1.538 57.945 56.400 0.011 0.000 0.832 401 E CB -0.339 29.370 29.700 0.016 0.000 0.756 401 E HN 0.789 nan 8.360 nan 0.000 0.491 402 I N -2.390 118.187 120.570 0.011 0.000 3.956 402 I HA 0.259 4.429 4.170 -0.000 0.000 0.333 402 I C 0.691 176.815 176.117 0.012 0.000 1.302 402 I CA -0.318 60.990 61.300 0.014 0.000 1.122 402 I CB 0.200 38.211 38.000 0.018 0.000 1.013 402 I HN -0.179 nan 8.210 nan 0.000 0.405 403 R N 0.000 120.505 120.500 0.008 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.105 56.100 0.008 0.000 0.921 403 R CB 0.000 30.303 30.300 0.006 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535