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 2wfp_1_A DATA FIRST_RESID -2 DATA SEQUENCE MASMQKLINS VQNYAWGSKT ALTELYGIAN PQQQPMAELW MGAHPKSSSR DATA SEQUENCE ITXXXXXTVS LRDAIEKNKT AMLGEAVANR FGELPFLFKV LCAAQPLSIQ DATA SEQUENCE VHPNKRNSEI GFAKENAAGI PMDAAERNYK DPNHKPELVF ALTPFLAMNA DATA SEQUENCE FREFSDIVSL LQPVAGAHSA IAHFLQVPNA ERLSQLFASL LNMQGEEKSR DATA SEQUENCE ALAVLKAALN SQQGEPWQTI RVISEYYPDD SGLFSPLLLN VVKLNPGEAM DATA SEQUENCE FLFAETPHAY LQGVALEVMA NSDNVLRAGL TPKYIDIPEL VANVKFEPKP DATA SEQUENCE AGELLTAPVK SGAELDFPIP VDDFAFSLHD LALQETSIGQ HSAAILFCVE DATA SEQUENCE GEAVLRKDEQ RLVLKPGESA FIGADESPVN ASGTGRLARV YNKL 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 -2 M HA 0.000 nan 4.480 nan 0.000 0.227 -2 M C 0.000 176.323 176.300 0.038 0.000 1.140 -2 M CA 0.000 55.322 55.300 0.036 0.000 0.988 -2 M CB 0.000 32.629 32.600 0.048 0.000 1.302 -1 A N 1.508 124.351 122.820 0.039 0.000 2.327 -1 A HA 0.580 4.903 4.320 0.004 0.000 0.255 -1 A C 1.025 178.635 177.584 0.044 0.000 1.099 -1 A CA 0.149 52.207 52.037 0.034 0.000 0.801 -1 A CB 0.471 19.488 19.000 0.028 0.000 1.062 -1 A HN 0.884 nan 8.150 nan 0.000 0.496 0 S N -0.524 115.194 115.700 0.030 0.000 2.359 0 S HA -0.078 4.394 4.470 0.004 0.000 0.224 0 S C 0.729 175.348 174.600 0.032 0.000 1.035 0 S CA 1.543 59.757 58.200 0.025 0.000 1.018 0 S CB -0.381 62.822 63.200 0.005 0.000 0.876 0 S HN 0.608 nan 8.310 nan 0.000 0.448 1 M N 1.569 121.187 119.600 0.030 0.000 2.243 1 M HA 0.369 4.851 4.480 0.004 0.000 0.324 1 M C -1.029 175.311 176.300 0.067 0.000 1.031 1 M CA -0.344 54.978 55.300 0.036 0.000 0.949 1 M CB 1.896 34.499 32.600 0.006 0.000 1.615 1 M HN -0.056 nan 8.290 nan 0.000 0.430 2 Q N 3.106 122.978 119.800 0.120 0.000 2.368 2 Q HA 0.323 4.665 4.340 0.004 0.000 0.263 2 Q C -0.826 175.247 176.000 0.121 0.000 1.009 2 Q CA -0.346 55.533 55.803 0.127 0.000 0.818 2 Q CB 2.283 31.124 28.738 0.173 0.000 1.239 2 Q HN 0.578 nan 8.270 nan 0.000 0.464 3 K N 3.521 123.966 120.400 0.075 0.000 2.416 3 K HA 0.158 4.480 4.320 0.004 0.000 0.283 3 K C -0.447 176.195 176.600 0.070 0.000 1.037 3 K CA -0.071 56.254 56.287 0.063 0.000 0.995 3 K CB 0.428 32.948 32.500 0.034 0.000 0.938 3 K HN 0.507 nan 8.250 nan 0.000 0.475 4 L N 5.849 127.123 121.223 0.085 0.000 2.350 4 L HA 0.300 4.642 4.340 0.004 0.000 0.275 4 L C 0.089 176.989 176.870 0.051 0.000 1.099 4 L CA -0.587 54.302 54.840 0.081 0.000 0.808 4 L CB 0.976 43.107 42.059 0.120 0.000 1.149 4 L HN 0.575 nan 8.230 nan 0.000 0.442 5 I N 3.766 124.357 120.570 0.035 0.000 2.297 5 I HA 0.209 4.382 4.170 0.004 0.000 0.291 5 I C -0.249 175.883 176.117 0.025 0.000 1.033 5 I CA -0.255 61.058 61.300 0.021 0.000 1.253 5 I CB 0.536 38.541 38.000 0.008 0.000 1.396 5 I HN 0.567 nan 8.210 nan 0.000 0.476 6 N N 4.228 122.943 118.700 0.025 0.000 2.417 6 N HA 0.354 5.097 4.740 0.004 0.000 0.300 6 N C -0.700 174.807 175.510 -0.005 0.000 1.102 6 N CA -0.557 52.514 53.050 0.034 0.000 0.886 6 N CB 2.018 40.535 38.487 0.050 0.000 1.203 6 N HN 0.384 nan 8.380 nan 0.000 0.496 7 S N 0.403 116.095 115.700 -0.014 0.000 2.548 7 S HA 0.293 4.765 4.470 0.004 0.000 0.277 7 S C 0.170 174.658 174.600 -0.187 0.000 1.315 7 S CA -0.608 57.516 58.200 -0.126 0.000 1.050 7 S CB 0.737 63.811 63.200 -0.209 0.000 0.918 7 S HN 0.218 nan 8.310 nan 0.000 0.497 8 V N 4.649 124.423 119.914 -0.233 0.000 2.384 8 V HA 0.289 4.412 4.120 0.004 0.000 0.287 8 V C -0.320 175.512 176.094 -0.436 0.000 1.020 8 V CA -0.827 61.309 62.300 -0.273 0.000 0.850 8 V CB 1.565 33.282 31.823 -0.176 0.000 0.987 8 V HN 0.708 nan 8.190 nan 0.000 0.436 9 Q N 3.442 122.865 119.800 -0.629 0.000 2.314 9 Q HA 0.301 4.644 4.340 0.004 0.000 0.257 9 Q C -0.134 175.364 176.000 -0.837 0.000 0.975 9 Q CA 0.021 55.271 55.803 -0.921 0.000 0.933 9 Q CB 0.732 28.585 28.738 -1.475 0.000 1.195 9 Q HN 0.684 nan 8.270 nan 0.000 0.426 10 N N 2.892 121.223 118.700 -0.616 0.000 3.052 10 N HA 0.076 4.819 4.740 0.004 0.000 0.302 10 N C -0.942 174.354 175.510 -0.357 0.000 1.332 10 N CA -0.131 52.671 53.050 -0.413 0.000 1.129 10 N CB 0.126 38.463 38.487 -0.251 0.000 1.436 10 N HN 0.338 nan 8.380 nan 0.000 0.536 11 Y N 0.510 120.554 120.300 -0.426 0.000 2.457 11 Y HA 0.085 4.637 4.550 0.004 0.000 0.341 11 Y C 1.585 177.191 175.900 -0.490 0.000 1.240 11 Y CA -1.068 56.737 58.100 -0.491 0.000 1.437 11 Y CB 0.413 38.401 38.460 -0.787 0.000 1.328 11 Y HN 0.215 nan 8.280 nan 0.000 0.588 12 A N 3.672 126.442 122.820 -0.084 0.000 2.019 12 A HA -0.153 4.170 4.320 0.004 0.000 0.219 12 A C 1.675 179.283 177.584 0.040 0.000 1.164 12 A CA 1.272 53.302 52.037 -0.012 0.000 0.644 12 A CB -0.932 18.111 19.000 0.071 0.000 0.805 12 A HN 0.964 nan 8.150 nan 0.000 0.449 13 W N -0.095 121.266 121.300 0.101 0.000 3.180 13 W HA 0.310 4.972 4.660 0.004 0.000 0.254 13 W C 0.524 177.086 176.519 0.071 0.000 1.318 13 W CA -0.229 57.157 57.345 0.068 0.000 1.608 13 W CB -1.017 28.478 29.460 0.059 0.000 1.124 13 W HN 0.258 nan 8.180 nan 0.000 0.694 14 G N 1.673 110.370 108.800 -0.172 0.000 2.606 14 G HA2 0.195 4.157 3.960 0.004 0.000 0.252 14 G HA3 0.195 4.157 3.960 0.004 0.000 0.252 14 G C -0.385 174.520 174.900 0.008 0.000 1.206 14 G CA -0.393 44.616 45.100 -0.152 0.000 0.861 14 G HN 0.073 nan 8.290 nan 0.000 0.561 15 S N -0.711 115.012 115.700 0.039 0.000 2.548 15 S HA 0.163 4.635 4.470 0.004 0.000 0.277 15 S C 1.319 175.920 174.600 0.001 0.000 1.315 15 S CA -0.511 57.714 58.200 0.041 0.000 1.050 15 S CB 0.774 64.008 63.200 0.057 0.000 0.918 15 S HN 0.535 nan 8.310 nan 0.000 0.497 16 K N 2.055 122.458 120.400 0.005 0.000 2.432 16 K HA -0.000 4.322 4.320 0.004 0.000 0.196 16 K C 1.500 178.096 176.600 -0.008 0.000 1.038 16 K CA 1.262 57.544 56.287 -0.009 0.000 0.986 16 K CB 0.026 32.525 32.500 -0.003 0.000 0.782 16 K HN 0.852 nan 8.250 nan 0.000 0.485 17 T N -3.982 110.572 114.554 -0.001 0.000 2.980 17 T HA 0.263 4.616 4.350 0.004 0.000 0.252 17 T C 2.041 176.733 174.700 -0.014 0.000 0.962 17 T CA 0.208 62.304 62.100 -0.006 0.000 0.932 17 T CB 0.216 69.082 68.868 -0.003 0.000 1.188 17 T HN 0.019 nan 8.240 nan 0.000 0.500 18 A N 2.373 125.189 122.820 -0.008 0.000 1.865 18 A HA 0.121 4.443 4.320 0.004 0.000 0.217 18 A C 2.298 179.846 177.584 -0.060 0.000 1.191 18 A CA 1.596 53.617 52.037 -0.026 0.000 0.623 18 A CB -1.119 17.887 19.000 0.010 0.000 0.826 18 A HN 0.507 nan 8.150 nan 0.000 0.444 19 L N -0.676 120.546 121.223 -0.001 0.000 2.131 19 L HA -0.155 4.188 4.340 0.004 0.000 0.210 19 L C 2.738 179.625 176.870 0.029 0.000 1.092 19 L CA 1.684 56.560 54.840 0.060 0.000 0.759 19 L CB -0.924 41.209 42.059 0.124 0.000 0.903 19 L HN 0.408 nan 8.230 nan 0.000 0.435 20 T N -0.855 113.700 114.554 0.002 0.000 2.737 20 T HA -0.159 4.193 4.350 0.004 0.000 0.265 20 T C 1.711 176.390 174.700 -0.035 0.000 1.038 20 T CA 1.194 63.294 62.100 -0.001 0.000 1.144 20 T CB -0.139 68.727 68.868 -0.004 0.000 0.866 20 T HN 0.374 nan 8.240 nan 0.000 0.434 21 E N 0.856 121.019 120.200 -0.062 0.000 2.058 21 E HA -0.093 4.260 4.350 0.004 0.000 0.194 21 E C 2.219 178.732 176.600 -0.145 0.000 0.997 21 E CA 1.023 57.375 56.400 -0.081 0.000 0.801 21 E CB -0.296 29.360 29.700 -0.074 0.000 0.746 21 E HN 0.391 nan 8.360 nan 0.000 0.450 22 L N -0.820 120.226 121.223 -0.295 0.000 2.095 22 L HA -0.123 4.219 4.340 0.004 0.000 0.204 22 L C 1.406 177.984 176.870 -0.486 0.000 1.080 22 L CA 0.940 55.433 54.840 -0.578 0.000 0.759 22 L CB 0.060 41.415 42.059 -1.173 0.000 0.914 22 L HN 0.203 nan 8.230 nan 0.000 0.439 23 Y N -1.491 118.819 120.300 0.017 0.000 2.563 23 Y HA 0.381 4.934 4.550 0.005 0.000 0.250 23 Y C 1.507 177.404 175.900 -0.005 0.000 1.126 23 Y CA -0.303 57.798 58.100 0.002 0.000 1.231 23 Y CB 0.119 38.589 38.460 0.016 0.000 1.288 23 Y HN 0.119 nan 8.280 nan 0.000 0.537 24 G N 1.350 110.208 108.800 0.098 0.000 2.168 24 G HA2 -0.327 3.635 3.960 0.004 0.000 0.257 24 G HA3 -0.327 3.635 3.960 0.004 0.000 0.257 24 G C 0.149 175.087 174.900 0.063 0.000 0.997 24 G CA 0.166 45.302 45.100 0.060 0.000 0.708 24 G HN 0.355 nan 8.290 nan 0.000 0.520 25 I N 1.479 122.104 120.570 0.091 0.000 2.598 25 I HA 0.328 4.501 4.170 0.004 0.000 0.284 25 I C 1.368 177.503 176.117 0.030 0.000 1.140 25 I CA 0.236 61.575 61.300 0.066 0.000 1.420 25 I CB 0.823 38.880 38.000 0.094 0.000 1.387 25 I HN 0.386 nan 8.210 nan 0.000 0.553 26 A N 5.603 128.432 122.820 0.014 0.000 2.511 26 A HA 0.107 4.430 4.320 0.004 0.000 0.242 26 A C 0.450 178.029 177.584 -0.008 0.000 1.069 26 A CA 0.106 52.144 52.037 0.001 0.000 0.763 26 A CB -0.078 18.920 19.000 -0.004 0.000 1.001 26 A HN 0.791 nan 8.150 nan 0.000 0.498 27 N N 2.199 120.892 118.700 -0.011 0.000 2.620 27 N HA 0.206 4.949 4.740 0.004 0.000 0.277 27 N C -2.034 173.465 175.510 -0.018 0.000 1.726 27 N CA -0.913 52.126 53.050 -0.020 0.000 0.840 27 N CB 0.832 39.306 38.487 -0.021 0.000 1.379 27 N HN 0.289 nan 8.380 nan 0.000 0.506 28 P HA -0.123 nan 4.420 nan 0.000 0.219 28 P C 1.006 178.297 177.300 -0.016 0.000 1.146 28 P CA 1.427 64.519 63.100 -0.014 0.000 0.808 28 P CB 0.162 31.854 31.700 -0.013 0.000 0.779 29 Q N -0.474 119.314 119.800 -0.020 0.000 2.403 29 Q HA 0.068 4.411 4.340 0.004 0.000 0.203 29 Q C 1.045 177.032 176.000 -0.022 0.000 0.932 29 Q CA 0.243 56.033 55.803 -0.022 0.000 0.945 29 Q CB -0.825 27.897 28.738 -0.026 0.000 1.045 29 Q HN 0.209 nan 8.270 nan 0.000 0.511 30 Q N 0.354 120.141 119.800 -0.022 0.000 2.435 30 Q HA -0.199 4.143 4.340 0.004 0.000 0.312 30 Q C -0.839 175.145 176.000 -0.027 0.000 1.333 30 Q CA 0.947 56.737 55.803 -0.020 0.000 0.883 30 Q CB -2.066 26.665 28.738 -0.013 0.000 1.170 30 Q HN 0.905 nan 8.270 nan 0.000 0.443 31 Q N 1.121 120.897 119.800 -0.040 0.000 2.394 31 Q HA 0.292 4.635 4.340 0.004 0.000 0.248 31 Q C -1.912 174.050 176.000 -0.064 0.000 0.992 31 Q CA -1.494 54.276 55.803 -0.055 0.000 0.888 31 Q CB 0.402 29.095 28.738 -0.075 0.000 1.257 31 Q HN 0.128 nan 8.270 nan 0.000 0.462 32 P HA 0.001 nan 4.420 nan 0.000 0.271 32 P C -1.016 176.190 177.300 -0.156 0.000 1.220 32 P CA 0.482 63.525 63.100 -0.095 0.000 0.768 32 P CB 0.544 32.184 31.700 -0.101 0.000 0.848 33 M N 3.143 122.655 119.600 -0.146 0.000 2.023 33 M HA 0.368 4.850 4.480 0.004 0.000 0.325 33 M C 0.828 177.005 176.300 -0.204 0.000 0.963 33 M CA -0.548 54.645 55.300 -0.177 0.000 0.928 33 M CB 1.977 34.519 32.600 -0.097 0.000 1.429 33 M HN 0.356 nan 8.290 nan 0.000 0.404 34 A N 2.960 125.553 122.820 -0.378 0.000 1.942 34 A HA 0.242 4.564 4.320 0.004 0.000 0.209 34 A C 0.442 177.920 177.584 -0.177 0.000 1.214 34 A CA 0.758 52.486 52.037 -0.516 0.000 0.686 34 A CB 0.476 18.717 19.000 -1.264 0.000 0.871 34 A HN 0.724 nan 8.150 nan 0.000 0.460 35 E N -0.954 119.141 120.200 -0.175 0.000 2.308 35 E HA 0.470 4.823 4.350 0.004 0.000 0.275 35 E C -1.989 174.623 176.600 0.019 0.000 0.890 35 E CA -0.734 55.713 56.400 0.080 0.000 0.754 35 E CB 2.289 32.217 29.700 0.380 0.000 1.207 35 E HN 0.180 nan 8.360 nan 0.000 0.426 36 L N 3.167 124.451 121.223 0.102 0.000 2.265 36 L HA 0.475 4.818 4.340 0.004 0.000 0.289 36 L C -1.635 175.363 176.870 0.213 0.000 1.033 36 L CA -0.320 54.562 54.840 0.070 0.000 0.814 36 L CB 0.274 42.339 42.059 0.010 0.000 1.203 36 L HN 0.459 nan 8.230 nan 0.000 0.423 37 W N 6.482 127.715 121.300 -0.112 0.000 2.390 37 W HA 0.580 5.242 4.660 0.004 0.000 0.312 37 W C -0.545 175.938 176.519 -0.059 0.000 1.123 37 W CA -0.970 56.324 57.345 -0.084 0.000 1.202 37 W CB 1.156 30.582 29.460 -0.057 0.000 1.251 37 W HN 0.370 nan 8.180 nan 0.000 0.511 38 M N 4.003 123.681 119.600 0.131 0.000 2.053 38 M HA 0.624 5.107 4.480 0.004 0.000 0.297 38 M C 0.454 176.884 176.300 0.216 0.000 0.921 38 M CA -0.020 55.369 55.300 0.148 0.000 0.918 38 M CB 1.550 34.197 32.600 0.078 0.000 1.499 38 M HN 0.594 nan 8.290 nan 0.000 0.422 39 G N 1.767 110.685 108.800 0.196 0.000 2.404 39 G HA2 0.507 4.469 3.960 0.004 0.000 0.253 39 G HA3 0.507 4.469 3.960 0.004 0.000 0.253 39 G C -1.718 173.235 174.900 0.088 0.000 1.253 39 G CA -0.049 45.146 45.100 0.157 0.000 0.917 39 G HN 0.624 nan 8.290 nan 0.000 0.480 40 A N -0.516 122.330 122.820 0.044 0.000 2.610 40 A HA 0.529 4.851 4.320 0.004 0.000 0.290 40 A C 0.242 177.859 177.584 0.055 0.000 1.001 40 A CA -0.053 51.991 52.037 0.012 0.000 1.004 40 A CB -0.452 18.499 19.000 -0.082 0.000 1.220 40 A HN 0.888 nan 8.150 nan 0.000 0.507 41 H N 2.022 121.126 119.070 0.055 0.000 2.928 41 H HA 0.073 4.632 4.556 0.004 0.000 0.338 41 H C -1.538 173.864 175.328 0.123 0.000 1.047 41 H CA -0.446 55.654 56.048 0.086 0.000 1.435 41 H CB 1.368 31.219 29.762 0.147 0.000 1.428 41 H HN 0.177 nan 8.280 nan 0.000 0.590 42 P HA -0.122 nan 4.420 nan 0.000 0.222 42 P C 0.980 178.405 177.300 0.209 0.000 1.147 42 P CA 1.040 64.167 63.100 0.046 0.000 0.790 42 P CB 0.454 32.120 31.700 -0.056 0.000 0.780 43 K N -0.586 120.110 120.400 0.493 0.000 2.305 43 K HA 0.103 4.425 4.320 0.004 0.000 0.199 43 K C 0.804 177.535 176.600 0.218 0.000 1.047 43 K CA 0.560 57.062 56.287 0.358 0.000 0.976 43 K CB 0.098 32.847 32.500 0.416 0.000 0.765 43 K HN 0.021 nan 8.250 nan 0.000 0.474 44 S N 0.678 116.555 115.700 0.294 0.000 2.849 44 S HA 0.048 4.520 4.470 0.004 0.000 0.141 44 S C -0.952 173.784 174.600 0.227 0.000 1.109 44 S CA -0.378 57.897 58.200 0.126 0.000 1.106 44 S CB 0.108 63.209 63.200 -0.165 0.000 1.637 44 S HN 0.137 nan 8.310 nan 0.000 0.457 45 S N 2.031 117.832 115.700 0.167 0.000 2.576 45 S HA 0.559 5.031 4.470 0.004 0.000 0.276 45 S C 0.667 175.322 174.600 0.092 0.000 1.339 45 S CA -0.031 58.252 58.200 0.137 0.000 1.039 45 S CB 0.651 63.890 63.200 0.066 0.000 0.902 45 S HN 0.688 nan 8.310 nan 0.000 0.516 46 S N 3.032 118.786 115.700 0.090 0.000 2.580 46 S HA 0.326 4.799 4.470 0.004 0.000 0.266 46 S C 0.221 174.826 174.600 0.008 0.000 1.354 46 S CA -0.330 57.903 58.200 0.056 0.000 1.008 46 S CB 0.239 63.483 63.200 0.072 0.000 0.898 46 S HN 0.708 nan 8.310 nan 0.000 0.555 47 R N 0.395 120.898 120.500 0.004 0.000 2.854 47 R HA 0.719 5.062 4.340 0.004 0.000 0.271 47 R C -0.502 175.793 176.300 -0.009 0.000 0.996 47 R CA -0.744 55.349 56.100 -0.012 0.000 0.961 47 R CB 1.280 31.576 30.300 -0.007 0.000 1.182 47 R HN 0.682 nan 8.270 nan 0.000 0.479 48 I N -2.678 117.881 120.570 -0.018 0.000 2.934 48 I HA 0.632 4.804 4.170 0.004 0.000 0.306 48 I C -0.507 175.611 176.117 0.001 0.000 1.110 48 I CA -0.765 60.533 61.300 -0.002 0.000 1.019 48 I CB 2.560 40.554 38.000 -0.011 0.000 1.227 48 I HN 0.331 nan 8.210 nan 0.000 0.434 56 V N 1.406 121.313 119.914 -0.012 0.000 2.962 56 V HA 0.921 5.043 4.120 0.004 0.000 0.313 56 V C 0.364 176.443 176.094 -0.026 0.000 1.099 56 V CA -0.863 61.427 62.300 -0.017 0.000 0.971 56 V CB 1.864 33.676 31.823 -0.018 0.000 1.028 56 V HN 0.956 nan 8.190 nan 0.000 0.430 57 S N 2.038 117.723 115.700 -0.025 0.000 2.537 57 S HA 0.138 4.610 4.470 0.004 0.000 0.286 57 S C 0.883 175.444 174.600 -0.065 0.000 1.299 57 S CA 0.015 58.196 58.200 -0.032 0.000 1.067 57 S CB 0.343 63.532 63.200 -0.020 0.000 0.864 57 S HN 1.106 nan 8.310 nan 0.000 0.494 58 L N 6.188 127.355 121.223 -0.093 0.000 2.042 58 L HA -0.057 4.285 4.340 0.004 0.000 0.210 58 L C 2.539 179.305 176.870 -0.173 0.000 1.076 58 L CA 2.010 56.736 54.840 -0.190 0.000 0.749 58 L CB -0.658 41.249 42.059 -0.253 0.000 0.893 58 L HN 0.855 nan 8.230 nan 0.000 0.432 59 R N -0.718 119.721 120.500 -0.102 0.000 2.096 59 R HA -0.177 4.166 4.340 0.004 0.000 0.235 59 R C 1.833 178.096 176.300 -0.061 0.000 1.127 59 R CA 1.792 57.845 56.100 -0.078 0.000 0.968 59 R CB -0.282 29.994 30.300 -0.040 0.000 0.861 59 R HN 0.456 nan 8.270 nan 0.000 0.440 60 D N 0.172 120.542 120.400 -0.049 0.000 2.117 60 D HA -0.114 4.528 4.640 0.004 0.000 0.198 60 D C 1.732 178.008 176.300 -0.040 0.000 0.982 60 D CA 1.485 55.464 54.000 -0.035 0.000 0.828 60 D CB -0.302 40.484 40.800 -0.025 0.000 0.967 60 D HN 0.345 nan 8.370 nan 0.000 0.464 61 A N 0.799 123.583 122.820 -0.060 0.000 1.883 61 A HA -0.161 4.162 4.320 0.004 0.000 0.217 61 A C 2.388 179.942 177.584 -0.050 0.000 1.186 61 A CA 1.085 53.088 52.037 -0.057 0.000 0.624 61 A CB -0.817 18.130 19.000 -0.088 0.000 0.822 61 A HN 0.204 nan 8.150 nan 0.000 0.444 62 I N -0.735 119.785 120.570 -0.082 0.000 2.226 62 I HA -0.267 3.905 4.170 0.004 0.000 0.245 62 I C 2.508 178.616 176.117 -0.015 0.000 1.100 62 I CA 1.800 63.074 61.300 -0.044 0.000 1.374 62 I CB -0.375 37.581 38.000 -0.072 0.000 1.057 62 I HN 0.514 nan 8.210 nan 0.000 0.413 63 E N 0.985 121.170 120.200 -0.024 0.000 2.219 63 E HA -0.227 4.126 4.350 0.004 0.000 0.198 63 E C 2.107 178.707 176.600 -0.001 0.000 0.998 63 E CA 1.300 57.694 56.400 -0.011 0.000 0.818 63 E CB 0.186 29.878 29.700 -0.014 0.000 0.741 63 E HN 0.179 nan 8.360 nan 0.000 0.477 64 K N -0.339 120.060 120.400 -0.002 0.000 2.361 64 K HA 0.088 4.410 4.320 0.004 0.000 0.196 64 K C 0.505 177.113 176.600 0.013 0.000 1.039 64 K CA 0.514 56.804 56.287 0.005 0.000 1.001 64 K CB 0.145 32.647 32.500 0.002 0.000 0.795 64 K HN 0.159 nan 8.250 nan 0.000 0.495 65 N N 0.307 119.019 118.700 0.020 0.000 2.751 65 N HA 0.201 4.943 4.740 0.004 0.000 0.238 65 N C -0.072 175.464 175.510 0.042 0.000 1.351 65 N CA -0.052 53.017 53.050 0.030 0.000 0.751 65 N CB 0.791 39.299 38.487 0.035 0.000 1.342 65 N HN 0.017 nan 8.380 nan 0.000 0.540 66 K N -0.256 120.166 120.400 0.036 0.000 2.057 66 K HA -0.044 4.278 4.320 0.004 0.000 0.207 66 K C 1.219 177.854 176.600 0.059 0.000 1.049 66 K CA 1.562 57.876 56.287 0.045 0.000 0.931 66 K CB 0.211 32.731 32.500 0.035 0.000 0.714 66 K HN 0.312 nan 8.250 nan 0.000 0.440 67 T N 1.096 115.679 114.554 0.048 0.000 2.746 67 T HA -0.136 4.217 4.350 0.004 0.000 0.267 67 T C 1.998 176.735 174.700 0.062 0.000 1.039 67 T CA 1.392 63.522 62.100 0.051 0.000 1.142 67 T CB -0.224 68.665 68.868 0.036 0.000 0.866 67 T HN 0.322 nan 8.240 nan 0.000 0.444 68 A N 1.090 123.947 122.820 0.060 0.000 1.902 68 A HA -0.002 4.320 4.320 0.004 0.000 0.217 68 A C 2.309 179.949 177.584 0.093 0.000 1.181 68 A CA 1.434 53.511 52.037 0.067 0.000 0.623 68 A CB -0.546 18.489 19.000 0.059 0.000 0.818 68 A HN 0.453 nan 8.150 nan 0.000 0.443 69 M N -1.090 118.582 119.600 0.120 0.000 2.248 69 M HA 0.115 4.597 4.480 0.004 0.000 0.265 69 M C 1.925 178.349 176.300 0.207 0.000 1.079 69 M CA 0.976 56.396 55.300 0.200 0.000 1.150 69 M CB -0.204 32.540 32.600 0.239 0.000 1.366 69 M HN 0.303 nan 8.290 nan 0.000 0.433 70 L N -0.356 120.961 121.223 0.156 0.000 2.270 70 L HA 0.226 4.569 4.340 0.004 0.000 0.210 70 L C 0.871 177.819 176.870 0.130 0.000 1.104 70 L CA 0.186 55.112 54.840 0.144 0.000 0.804 70 L CB -0.571 41.556 42.059 0.113 0.000 0.937 70 L HN 0.484 nan 8.230 nan 0.000 0.450 71 G N 0.459 109.325 108.800 0.109 0.000 2.692 71 G HA2 -0.225 3.737 3.960 0.004 0.000 0.686 71 G HA3 -0.225 3.737 3.960 0.004 0.000 0.686 71 G C 0.275 175.225 174.900 0.084 0.000 1.243 71 G CA 0.018 45.178 45.100 0.101 0.000 0.782 71 G HN 0.256 nan 8.290 nan 0.000 0.625 72 E N 0.581 120.818 120.200 0.062 0.000 2.070 72 E HA -0.144 4.208 4.350 0.004 0.000 0.197 72 E C 2.768 179.387 176.600 0.032 0.000 1.004 72 E CA 2.308 58.730 56.400 0.037 0.000 0.805 72 E CB -0.244 29.466 29.700 0.016 0.000 0.744 72 E HN 1.236 nan 8.360 nan 0.000 0.451 73 A N 0.514 123.359 122.820 0.043 0.000 1.883 73 A HA -0.172 4.151 4.320 0.004 0.000 0.217 73 A C 2.426 180.047 177.584 0.062 0.000 1.186 73 A CA 1.815 53.874 52.037 0.036 0.000 0.624 73 A CB -0.727 18.308 19.000 0.060 0.000 0.822 73 A HN 0.255 nan 8.150 nan 0.000 0.444 74 V N -0.477 119.522 119.914 0.142 0.000 2.407 74 V HA -0.127 3.996 4.120 0.004 0.000 0.245 74 V C 3.019 179.209 176.094 0.159 0.000 1.041 74 V CA 1.594 64.045 62.300 0.251 0.000 1.040 74 V CB -1.079 30.900 31.823 0.260 0.000 0.671 74 V HN 0.616 nan 8.190 nan 0.000 0.455 75 A N 0.632 123.508 122.820 0.093 0.000 1.940 75 A HA -0.284 4.039 4.320 0.004 0.000 0.219 75 A C 2.181 179.771 177.584 0.011 0.000 1.176 75 A CA 2.190 54.260 52.037 0.055 0.000 0.631 75 A CB -0.720 18.306 19.000 0.044 0.000 0.814 75 A HN 0.598 nan 8.150 nan 0.000 0.446 76 N N -0.388 118.301 118.700 -0.019 0.000 2.062 76 N HA -0.140 4.603 4.740 0.004 0.000 0.191 76 N C 1.844 177.261 175.510 -0.154 0.000 1.042 76 N CA 1.263 54.271 53.050 -0.070 0.000 0.845 76 N CB -0.287 38.158 38.487 -0.070 0.000 1.024 76 N HN 0.311 nan 8.380 nan 0.000 0.424 77 R N -0.838 119.496 120.500 -0.278 0.000 2.119 77 R HA 0.029 4.371 4.340 0.004 0.000 0.222 77 R C 1.363 177.183 176.300 -0.799 0.000 1.088 77 R CA 0.849 56.563 56.100 -0.644 0.000 0.984 77 R CB -0.305 29.381 30.300 -1.024 0.000 0.884 77 R HN 0.351 nan 8.270 nan 0.000 0.447 78 F N -1.927 118.013 119.950 -0.017 0.000 2.699 78 F HA 0.303 4.832 4.527 0.004 0.000 0.295 78 F C 1.536 177.320 175.800 -0.027 0.000 1.052 78 F CA 0.419 58.404 58.000 -0.025 0.000 1.239 78 F CB -0.161 38.823 39.000 -0.027 0.000 1.018 78 F HN 0.161 nan 8.300 nan 0.000 0.627 79 G N 1.045 109.919 108.800 0.124 0.000 2.168 79 G HA2 -0.256 3.706 3.960 0.004 0.000 0.263 79 G HA3 -0.256 3.706 3.960 0.004 0.000 0.263 79 G C 0.037 174.971 174.900 0.056 0.000 0.977 79 G CA 0.648 45.787 45.100 0.065 0.000 0.659 79 G HN 0.534 nan 8.290 nan 0.000 0.533 80 E N -1.855 118.388 120.200 0.072 0.000 2.429 80 E HA 0.548 4.900 4.350 0.004 0.000 0.280 80 E C -0.820 175.749 176.600 -0.051 0.000 1.068 80 E CA -1.365 55.036 56.400 0.002 0.000 0.837 80 E CB 0.589 30.277 29.700 -0.021 0.000 1.357 80 E HN 0.529 nan 8.360 nan 0.000 0.455 81 L N 2.488 123.628 121.223 -0.138 0.000 2.534 81 L HA 0.173 4.515 4.340 0.004 0.000 0.271 81 L C -1.858 174.757 176.870 -0.425 0.000 1.178 81 L CA -1.059 53.586 54.840 -0.324 0.000 0.907 81 L CB 0.472 42.321 42.059 -0.350 0.000 1.164 81 L HN 0.480 nan 8.230 nan 0.000 0.482 82 P HA 0.132 nan 4.420 nan 0.000 0.258 82 P C -1.091 176.078 177.300 -0.219 0.000 1.416 82 P CA 0.108 62.940 63.100 -0.446 0.000 0.927 82 P CB -0.415 30.823 31.700 -0.770 0.000 1.444 83 F N -1.860 118.018 119.950 -0.120 0.000 2.631 83 F HA 0.675 5.204 4.527 0.004 0.000 0.308 83 F C -1.674 174.015 175.800 -0.184 0.000 1.097 83 F CA -1.931 55.939 58.000 -0.216 0.000 0.952 83 F CB 0.995 39.826 39.000 -0.282 0.000 1.307 83 F HN -0.339 nan 8.300 nan 0.000 0.450 84 L N 3.429 124.639 121.223 -0.022 0.000 2.362 84 L HA 0.688 5.030 4.340 0.004 0.000 0.275 84 L C -1.936 174.908 176.870 -0.043 0.000 0.998 84 L CA -0.830 53.977 54.840 -0.055 0.000 0.820 84 L CB 1.601 43.509 42.059 -0.252 0.000 1.270 84 L HN 0.696 nan 8.230 nan 0.000 0.415 85 F N 5.143 124.996 119.950 -0.161 0.000 2.449 85 F HA 0.636 5.166 4.527 0.004 0.000 0.342 85 F C -0.802 174.864 175.800 -0.225 0.000 1.127 85 F CA -0.874 56.995 58.000 -0.219 0.000 0.975 85 F CB 1.076 39.998 39.000 -0.129 0.000 1.146 85 F HN 0.505 nan 8.300 nan 0.000 0.444 86 K N 4.607 124.841 120.400 -0.277 0.000 2.328 86 K HA 0.695 5.017 4.320 0.004 0.000 0.246 86 K C -1.475 174.883 176.600 -0.402 0.000 0.955 86 K CA -1.218 54.890 56.287 -0.298 0.000 0.817 86 K CB 2.861 35.274 32.500 -0.144 0.000 1.208 86 K HN 0.302 nan 8.250 nan 0.000 0.432 87 V N 2.937 122.677 119.914 -0.289 0.000 2.394 87 V HA 0.306 4.428 4.120 0.004 0.000 0.282 87 V C -0.575 175.522 176.094 0.004 0.000 1.031 87 V CA -0.797 61.395 62.300 -0.179 0.000 0.881 87 V CB 1.077 32.849 31.823 -0.087 0.000 0.982 87 V HN 0.548 nan 8.190 nan 0.000 0.451 88 L N 5.832 127.073 121.223 0.030 0.000 2.322 88 L HA 0.630 4.972 4.340 0.004 0.000 0.281 88 L C -0.568 176.438 176.870 0.227 0.000 1.014 88 L CA 0.202 55.155 54.840 0.188 0.000 0.815 88 L CB 1.242 43.406 42.059 0.176 0.000 1.247 88 L HN 0.751 nan 8.230 nan 0.000 0.421 89 C N 5.495 124.982 119.300 0.311 0.000 2.409 89 C HA 0.684 5.147 4.460 0.004 0.000 0.297 89 C C 0.654 175.884 174.990 0.400 0.000 1.083 89 C CA -1.006 58.171 59.018 0.265 0.000 1.515 89 C CB -0.240 27.590 27.740 0.148 0.000 1.869 89 C HN 0.877 nan 8.230 nan 0.000 0.413 90 A N 1.815 124.870 122.820 0.390 0.000 2.415 90 A HA 0.586 4.908 4.320 0.004 0.000 0.309 90 A C 1.166 178.869 177.584 0.197 0.000 1.356 90 A CA 0.171 52.422 52.037 0.358 0.000 0.998 90 A CB 0.180 19.273 19.000 0.157 0.000 1.145 90 A HN 1.062 nan 8.150 nan 0.000 0.545 91 A N 2.529 125.487 122.820 0.229 0.000 2.218 91 A HA 0.262 4.584 4.320 0.004 0.000 0.209 91 A C 0.838 178.433 177.584 0.017 0.000 1.168 91 A CA 0.579 52.687 52.037 0.117 0.000 0.804 91 A CB 0.101 19.176 19.000 0.125 0.000 0.834 91 A HN 0.798 nan 8.150 nan 0.000 0.482 92 Q N -0.230 119.546 119.800 -0.039 0.000 2.421 92 Q HA 0.385 4.728 4.340 0.004 0.000 0.280 92 Q C -2.966 172.844 176.000 -0.316 0.000 1.085 92 Q CA -2.592 52.969 55.803 -0.404 0.000 0.807 92 Q CB 2.311 30.858 28.738 -0.318 0.000 1.405 92 Q HN 0.037 nan 8.270 nan 0.000 0.419 93 P HA 0.088 nan 4.420 nan 0.000 0.271 93 P C -0.778 176.465 177.300 -0.094 0.000 1.216 93 P CA 0.222 63.218 63.100 -0.173 0.000 0.771 93 P CB 0.621 32.291 31.700 -0.050 0.000 0.864 94 L N 1.498 122.596 121.223 -0.208 0.000 2.416 94 L HA 0.398 4.741 4.340 0.004 0.000 0.263 94 L C 1.243 177.936 176.870 -0.294 0.000 1.065 94 L CA -0.933 53.726 54.840 -0.302 0.000 0.798 94 L CB 0.601 42.369 42.059 -0.485 0.000 1.267 94 L HN 0.387 nan 8.230 nan 0.000 0.467 95 S N 0.039 115.557 115.700 -0.303 0.000 2.579 95 S HA 0.376 4.849 4.470 0.004 0.000 0.275 95 S C -0.214 174.169 174.600 -0.363 0.000 1.345 95 S CA -0.703 57.301 58.200 -0.327 0.000 1.031 95 S CB 0.354 63.406 63.200 -0.247 0.000 0.892 95 S HN 0.362 nan 8.310 nan 0.000 0.529 96 I N 2.191 122.547 120.570 -0.357 0.000 2.496 96 I HA 0.190 4.362 4.170 0.004 0.000 0.285 96 I C 0.642 176.510 176.117 -0.414 0.000 1.080 96 I CA 0.036 61.114 61.300 -0.370 0.000 1.404 96 I CB 0.295 38.129 38.000 -0.277 0.000 1.403 96 I HN 0.650 nan 8.210 nan 0.000 0.539 97 Q N 4.779 124.203 119.800 -0.627 0.000 2.451 97 Q HA 0.726 5.069 4.340 0.004 0.000 0.281 97 Q C -1.430 174.097 176.000 -0.788 0.000 1.099 97 Q CA -0.930 54.468 55.803 -0.674 0.000 0.806 97 Q CB 3.440 31.757 28.738 -0.701 0.000 1.419 97 Q HN 0.387 nan 8.270 nan 0.000 0.427 98 V N 1.363 120.962 119.914 -0.525 0.000 2.638 98 V HA 0.300 4.422 4.120 0.004 0.000 0.306 98 V C -1.092 174.815 176.094 -0.313 0.000 1.052 98 V CA -0.868 61.226 62.300 -0.343 0.000 0.885 98 V CB 1.832 33.547 31.823 -0.180 0.000 0.999 98 V HN 0.709 nan 8.190 nan 0.000 0.424 99 H N 4.247 123.365 119.070 0.080 0.000 2.597 99 H HA 0.380 4.939 4.556 0.004 0.000 0.303 99 H C -2.543 172.840 175.328 0.093 0.000 1.057 99 H CA -2.267 53.849 56.048 0.115 0.000 1.261 99 H CB 1.742 31.649 29.762 0.243 0.000 1.397 99 H HN 0.377 nan 8.280 nan 0.000 0.461 100 P HA -0.087 nan 4.420 nan 0.000 0.270 100 P C 0.392 177.764 177.300 0.119 0.000 1.223 100 P CA -0.232 62.961 63.100 0.156 0.000 0.785 100 P CB 0.779 32.641 31.700 0.270 0.000 0.923 101 N N 1.318 120.036 118.700 0.030 0.000 2.285 101 N HA 0.012 4.755 4.740 0.004 0.000 0.262 101 N C 1.035 176.600 175.510 0.091 0.000 1.299 101 N CA -0.008 53.022 53.050 -0.034 0.000 0.930 101 N CB 0.049 38.508 38.487 -0.046 0.000 1.157 101 N HN 0.293 nan 8.380 nan 0.000 0.532 102 K N -0.293 120.160 120.400 0.088 0.000 2.002 102 K HA -0.174 4.149 4.320 0.004 0.000 0.209 102 K C 2.120 178.771 176.600 0.084 0.000 1.048 102 K CA 1.117 57.469 56.287 0.108 0.000 0.930 102 K CB -0.150 32.400 32.500 0.084 0.000 0.714 102 K HN 0.563 nan 8.250 nan 0.000 0.438 103 R N 0.552 121.089 120.500 0.062 0.000 2.082 103 R HA -0.157 4.186 4.340 0.004 0.000 0.234 103 R C 1.909 178.245 176.300 0.059 0.000 1.136 103 R CA 2.243 58.373 56.100 0.051 0.000 0.935 103 R CB -0.278 30.046 30.300 0.039 0.000 0.842 103 R HN 0.240 nan 8.270 nan 0.000 0.430 104 N N -0.023 118.723 118.700 0.076 0.000 2.309 104 N HA -0.074 4.668 4.740 0.004 0.000 0.182 104 N C 1.681 177.259 175.510 0.114 0.000 1.018 104 N CA 1.434 54.537 53.050 0.088 0.000 0.876 104 N CB -0.144 38.414 38.487 0.118 0.000 0.972 104 N HN 0.174 nan 8.380 nan 0.000 0.434 105 S N 0.914 116.729 115.700 0.191 0.000 2.368 105 S HA -0.091 4.381 4.470 0.004 0.000 0.225 105 S C 1.683 176.362 174.600 0.133 0.000 1.030 105 S CA 0.912 59.272 58.200 0.268 0.000 0.999 105 S CB -0.138 63.215 63.200 0.255 0.000 0.844 105 S HN 0.432 nan 8.310 nan 0.000 0.459 106 E N 0.821 121.072 120.200 0.086 0.000 2.058 106 E HA -0.152 4.201 4.350 0.004 0.000 0.194 106 E C 1.990 178.631 176.600 0.068 0.000 0.997 106 E CA 1.290 57.741 56.400 0.084 0.000 0.801 106 E CB -0.352 29.383 29.700 0.058 0.000 0.746 106 E HN 0.481 nan 8.360 nan 0.000 0.450 107 I N 0.823 121.391 120.570 -0.004 0.000 2.142 107 I HA -0.202 3.970 4.170 0.004 0.000 0.240 107 I C 2.609 178.607 176.117 -0.198 0.000 1.078 107 I CA 1.348 62.610 61.300 -0.063 0.000 1.343 107 I CB -0.615 37.355 38.000 -0.051 0.000 1.046 107 I HN 0.168 nan 8.210 nan 0.000 0.405 108 G N 0.357 108.859 108.800 -0.496 0.000 2.418 108 G HA2 -0.295 3.667 3.960 0.004 0.000 0.217 108 G HA3 -0.295 3.667 3.960 0.004 0.000 0.217 108 G C 1.622 176.186 174.900 -0.559 0.000 1.158 108 G CA 0.433 44.856 45.100 -1.128 0.000 0.771 108 G HN 0.283 nan 8.290 nan 0.000 0.545 109 F N 2.497 122.232 119.950 -0.359 0.000 2.095 109 F HA -0.053 4.476 4.527 0.004 0.000 0.298 109 F C 2.819 178.592 175.800 -0.045 0.000 1.104 109 F CA 1.458 59.436 58.000 -0.036 0.000 1.232 109 F CB -0.402 38.623 39.000 0.043 0.000 0.987 109 F HN 0.231 nan 8.300 nan 0.000 0.475 110 A N 0.035 122.860 122.820 0.008 0.000 1.902 110 A HA -0.210 4.113 4.320 0.004 0.000 0.217 110 A C 2.273 179.793 177.584 -0.107 0.000 1.181 110 A CA 1.855 53.852 52.037 -0.067 0.000 0.623 110 A CB -0.717 18.288 19.000 0.008 0.000 0.818 110 A HN 0.451 nan 8.150 nan 0.000 0.443 111 K N -0.345 119.991 120.400 -0.106 0.000 2.032 111 K HA -0.194 4.129 4.320 0.004 0.000 0.209 111 K C 2.015 178.570 176.600 -0.076 0.000 1.048 111 K CA 1.838 58.075 56.287 -0.083 0.000 0.927 111 K CB -0.224 32.222 32.500 -0.089 0.000 0.712 111 K HN 0.632 nan 8.250 nan 0.000 0.441 112 E N 0.368 120.514 120.200 -0.089 0.000 2.106 112 E HA -0.126 4.227 4.350 0.004 0.000 0.192 112 E C 1.838 178.368 176.600 -0.116 0.000 0.984 112 E CA 0.710 57.075 56.400 -0.058 0.000 0.806 112 E CB -0.026 29.682 29.700 0.013 0.000 0.750 112 E HN 0.279 nan 8.360 nan 0.000 0.458 113 N N 1.134 119.702 118.700 -0.220 0.000 2.084 113 N HA -0.131 4.612 4.740 0.004 0.000 0.190 113 N C 1.774 177.212 175.510 -0.120 0.000 1.030 113 N CA 1.324 54.240 53.050 -0.223 0.000 0.849 113 N CB -0.412 37.872 38.487 -0.339 0.000 1.012 113 N HN 0.113 nan 8.380 nan 0.000 0.423 114 A N 0.726 123.488 122.820 -0.097 0.000 1.972 114 A HA 0.043 4.365 4.320 0.004 0.000 0.219 114 A C 2.143 179.702 177.584 -0.041 0.000 1.169 114 A CA 1.778 53.781 52.037 -0.057 0.000 0.635 114 A CB -0.551 18.422 19.000 -0.044 0.000 0.810 114 A HN 0.326 nan 8.150 nan 0.000 0.446 115 A N -1.812 120.984 122.820 -0.040 0.000 2.208 115 A HA 0.411 4.733 4.320 0.004 0.000 0.209 115 A C 1.785 179.357 177.584 -0.021 0.000 1.161 115 A CA 1.158 53.181 52.037 -0.023 0.000 0.782 115 A CB -0.899 18.094 19.000 -0.011 0.000 0.816 115 A HN 1.877 nan 8.150 nan 0.000 0.477 116 G N -0.418 108.361 108.800 -0.034 0.000 2.176 116 G HA2 -0.236 3.726 3.960 0.004 0.000 0.252 116 G HA3 -0.236 3.726 3.960 0.004 0.000 0.252 116 G C 0.064 174.954 174.900 -0.017 0.000 1.024 116 G CA 0.279 45.363 45.100 -0.027 0.000 0.755 116 G HN 0.507 nan 8.290 nan 0.000 0.507 117 I N 1.658 122.218 120.570 -0.017 0.000 2.505 117 I HA 0.181 4.353 4.170 0.004 0.000 0.287 117 I C -1.449 174.671 176.117 0.005 0.000 1.104 117 I CA -1.824 59.479 61.300 0.004 0.000 1.387 117 I CB 0.682 38.695 38.000 0.021 0.000 1.404 117 I HN -0.070 nan 8.210 nan 0.000 0.528 118 P HA 0.024 nan 4.420 nan 0.000 0.266 118 P C 0.750 178.077 177.300 0.046 0.000 1.195 118 P CA -0.260 62.856 63.100 0.026 0.000 0.768 118 P CB 0.478 32.197 31.700 0.032 0.000 0.838 119 M N 1.351 120.984 119.600 0.055 0.000 2.195 119 M HA -0.145 4.338 4.480 0.004 0.000 0.260 119 M C 0.626 176.990 176.300 0.106 0.000 1.066 119 M CA 1.834 57.189 55.300 0.092 0.000 1.089 119 M CB -1.075 31.591 32.600 0.111 0.000 1.377 119 M HN 0.354 nan 8.290 nan 0.000 0.411 120 D N 0.134 120.589 120.400 0.092 0.000 2.349 120 D HA 0.179 4.821 4.640 0.004 0.000 0.215 120 D C 0.612 176.962 176.300 0.082 0.000 1.016 120 D CA 0.147 54.206 54.000 0.098 0.000 0.870 120 D CB -0.019 40.834 40.800 0.088 0.000 0.917 120 D HN 0.183 nan 8.370 nan 0.000 0.524 121 A N 0.626 123.489 122.820 0.071 0.000 2.483 121 A HA 0.406 4.728 4.320 0.004 0.000 0.238 121 A C 1.586 179.210 177.584 0.067 0.000 1.070 121 A CA 0.384 52.457 52.037 0.061 0.000 0.770 121 A CB 0.548 19.579 19.000 0.052 0.000 1.008 121 A HN 0.146 nan 8.150 nan 0.000 0.497 122 A N 0.990 123.845 122.820 0.058 0.000 2.067 122 A HA -0.057 4.266 4.320 0.004 0.000 0.219 122 A C 1.616 179.237 177.584 0.062 0.000 1.158 122 A CA 1.516 53.588 52.037 0.057 0.000 0.661 122 A CB -0.342 18.688 19.000 0.049 0.000 0.801 122 A HN 0.838 nan 8.150 nan 0.000 0.452 123 E N 0.015 120.253 120.200 0.063 0.000 2.482 123 E HA -0.078 4.274 4.350 0.004 0.000 0.196 123 E C 0.749 177.403 176.600 0.091 0.000 1.047 123 E CA 0.165 56.610 56.400 0.075 0.000 0.869 123 E CB -0.475 29.264 29.700 0.064 0.000 0.836 123 E HN 0.444 nan 8.360 nan 0.000 0.520 124 R N 1.983 122.536 120.500 0.090 0.000 2.248 124 R HA 0.114 4.457 4.340 0.004 0.000 0.328 124 R C 0.382 176.749 176.300 0.112 0.000 1.067 124 R CA 0.035 56.203 56.100 0.113 0.000 0.924 124 R CB 0.152 30.518 30.300 0.109 0.000 1.013 124 R HN -0.114 nan 8.270 nan 0.000 0.454 125 N N 2.783 121.563 118.700 0.133 0.000 2.414 125 N HA -0.019 4.724 4.740 0.004 0.000 0.177 125 N C -0.732 174.720 175.510 -0.096 0.000 1.062 125 N CA 0.568 53.620 53.050 0.002 0.000 0.890 125 N CB 0.359 38.807 38.487 -0.065 0.000 1.070 125 N HN 0.468 nan 8.380 nan 0.000 0.454 126 Y N 0.653 121.050 120.300 0.161 0.000 2.345 126 Y HA 0.358 4.911 4.550 0.004 0.000 0.331 126 Y C 0.926 177.028 175.900 0.338 0.000 0.959 126 Y CA -0.548 57.693 58.100 0.235 0.000 1.204 126 Y CB 1.675 40.296 38.460 0.269 0.000 1.135 126 Y HN -0.265 nan 8.280 nan 0.000 0.477 127 K N 1.289 121.932 120.400 0.405 0.000 2.387 127 K HA 0.143 4.465 4.320 0.004 0.000 0.203 127 K C -0.595 176.152 176.600 0.246 0.000 1.030 127 K CA 0.090 56.625 56.287 0.414 0.000 1.099 127 K CB 0.925 33.575 32.500 0.250 0.000 0.863 127 K HN 0.489 nan 8.250 nan 0.000 0.529 128 D N 0.817 121.230 120.400 0.021 0.000 2.977 128 D HA 0.113 4.756 4.640 0.004 0.000 0.220 128 D C -2.773 173.239 176.300 -0.479 0.000 1.267 128 D CA -1.687 52.077 54.000 -0.393 0.000 0.884 128 D CB 2.576 43.288 40.800 -0.145 0.000 1.667 128 D HN -0.213 nan 8.370 nan 0.000 0.536 129 P HA 0.215 nan 4.420 nan 0.000 0.220 129 P C -0.509 176.715 177.300 -0.127 0.000 1.778 129 P CA -0.053 62.825 63.100 -0.369 0.000 0.912 129 P CB 0.045 31.521 31.700 -0.373 0.000 1.861 130 N N 0.066 118.737 118.700 -0.049 0.000 3.227 130 N HA 0.129 4.871 4.740 0.004 0.000 0.241 130 N C -2.038 173.527 175.510 0.091 0.000 1.480 130 N CA -0.369 52.692 53.050 0.018 0.000 0.886 130 N CB 1.177 39.650 38.487 -0.024 0.000 1.406 130 N HN 0.105 nan 8.380 nan 0.000 0.514 131 H N 1.261 120.337 119.070 0.009 0.000 2.609 131 H HA 0.511 5.070 4.556 0.004 0.000 0.344 131 H C -1.182 174.132 175.328 -0.024 0.000 1.040 131 H CA -0.304 55.748 56.048 0.006 0.000 1.216 131 H CB 1.109 30.893 29.762 0.036 0.000 1.529 131 H HN 0.373 nan 8.280 nan 0.000 0.519 132 K N 6.061 126.040 120.400 -0.702 0.000 2.324 132 K HA 0.363 4.686 4.320 0.004 0.000 0.253 132 K C -2.365 173.807 176.600 -0.715 0.000 0.932 132 K CA -1.732 54.223 56.287 -0.553 0.000 0.799 132 K CB 1.965 34.324 32.500 -0.235 0.000 1.154 132 K HN 0.450 nan 8.250 nan 0.000 0.425 133 P HA 0.054 nan 4.420 nan 0.000 0.275 133 P C -1.020 176.221 177.300 -0.099 0.000 1.270 133 P CA -0.326 62.617 63.100 -0.262 0.000 0.791 133 P CB 0.666 32.233 31.700 -0.221 0.000 1.089 134 E N -0.481 119.658 120.200 -0.102 0.000 2.317 134 E HA 0.523 4.876 4.350 0.004 0.000 0.270 134 E C -1.846 174.700 176.600 -0.091 0.000 0.885 134 E CA -0.959 55.400 56.400 -0.069 0.000 0.760 134 E CB 1.453 31.081 29.700 -0.120 0.000 1.227 134 E HN 0.228 nan 8.360 nan 0.000 0.434 135 L N 4.603 125.751 121.223 -0.125 0.000 2.341 135 L HA 0.581 4.924 4.340 0.004 0.000 0.278 135 L C -1.602 175.104 176.870 -0.274 0.000 1.005 135 L CA -0.757 53.969 54.840 -0.190 0.000 0.818 135 L CB 1.723 43.643 42.059 -0.231 0.000 1.259 135 L HN 0.436 nan 8.230 nan 0.000 0.418 136 V N 6.192 125.960 119.914 -0.243 0.000 2.495 136 V HA 0.568 4.690 4.120 0.004 0.000 0.298 136 V C -1.441 174.456 176.094 -0.329 0.000 1.031 136 V CA -0.465 61.632 62.300 -0.339 0.000 0.871 136 V CB 1.572 33.174 31.823 -0.369 0.000 0.988 136 V HN 0.694 nan 8.190 nan 0.000 0.432 137 F N 6.810 126.419 119.950 -0.569 0.000 2.499 137 F HA 0.817 5.347 4.527 0.005 0.000 0.333 137 F C 0.276 175.838 175.800 -0.397 0.000 1.138 137 F CA -0.525 57.191 58.000 -0.474 0.000 0.945 137 F CB 1.332 39.987 39.000 -0.575 0.000 1.181 137 F HN 0.714 nan 8.300 nan 0.000 0.435 138 A N 6.888 129.264 122.820 -0.740 0.000 2.450 138 A HA 0.389 4.711 4.320 0.004 0.000 0.255 138 A C 0.257 177.562 177.584 -0.465 0.000 1.096 138 A CA -0.249 51.461 52.037 -0.544 0.000 0.778 138 A CB 0.324 19.141 19.000 -0.306 0.000 1.031 138 A HN 1.059 nan 8.150 nan 0.000 0.494 139 L N 1.827 122.946 121.223 -0.173 0.000 2.316 139 L HA 0.114 4.457 4.340 0.004 0.000 0.207 139 L C 1.493 178.369 176.870 0.010 0.000 1.070 139 L CA 1.168 56.014 54.840 0.010 0.000 0.820 139 L CB -0.173 41.973 42.059 0.145 0.000 0.992 139 L HN 0.889 nan 8.230 nan 0.000 0.466 140 T N -3.613 110.950 114.554 0.016 0.000 2.927 140 T HA 0.496 4.848 4.350 0.004 0.000 0.286 140 T C -2.745 171.989 174.700 0.057 0.000 1.040 140 T CA -2.319 59.801 62.100 0.034 0.000 1.010 140 T CB 1.577 70.473 68.868 0.047 0.000 1.177 140 T HN -0.312 nan 8.240 nan 0.000 0.546 141 P HA 0.256 nan 4.420 nan 0.000 0.262 141 P C -1.415 175.964 177.300 0.132 0.000 1.182 141 P CA 0.087 63.225 63.100 0.064 0.000 0.761 141 P CB -0.056 31.665 31.700 0.035 0.000 0.795 142 F N 4.897 124.812 119.950 -0.057 0.000 2.539 142 F HA 0.454 4.984 4.527 0.005 0.000 0.328 142 F C -1.280 174.495 175.800 -0.042 0.000 1.148 142 F CA -1.194 56.768 58.000 -0.063 0.000 0.940 142 F CB 1.003 39.937 39.000 -0.110 0.000 1.194 142 F HN 0.043 nan 8.300 nan 0.000 0.438 143 L N 6.202 127.150 121.223 -0.458 0.000 2.275 143 L HA 0.885 5.227 4.340 0.004 0.000 0.288 143 L C -0.834 175.765 176.870 -0.452 0.000 1.046 143 L CA 0.007 54.656 54.840 -0.318 0.000 0.805 143 L CB 0.762 42.688 42.059 -0.222 0.000 1.193 143 L HN 0.733 nan 8.230 nan 0.000 0.426 144 A N 5.498 128.204 122.820 -0.190 0.000 2.593 144 A HA 0.824 5.146 4.320 0.004 0.000 0.290 144 A C -1.200 176.369 177.584 -0.025 0.000 1.126 144 A CA -0.774 51.224 52.037 -0.065 0.000 0.695 144 A CB 1.408 20.509 19.000 0.168 0.000 1.290 144 A HN 0.655 nan 8.150 nan 0.000 0.414 145 M N 1.258 120.848 119.600 -0.015 0.000 2.508 145 M HA 0.489 4.971 4.480 0.004 0.000 0.327 145 M C -0.776 175.525 176.300 0.002 0.000 1.160 145 M CA -0.565 54.712 55.300 -0.038 0.000 0.980 145 M CB 1.938 34.480 32.600 -0.096 0.000 1.693 145 M HN 0.717 nan 8.290 nan 0.000 0.452 146 N N 1.965 120.652 118.700 -0.022 0.000 2.616 146 N HA 0.640 5.383 4.740 0.004 0.000 0.281 146 N C -1.439 174.026 175.510 -0.076 0.000 1.145 146 N CA 0.429 53.476 53.050 -0.005 0.000 0.919 146 N CB 1.351 39.873 38.487 0.058 0.000 1.509 146 N HN 1.002 nan 8.380 nan 0.000 0.537 147 A N 1.020 123.734 122.820 -0.177 0.000 2.556 147 A HA -0.100 4.222 4.320 0.004 0.000 0.682 147 A C -0.880 176.509 177.584 -0.325 0.000 0.218 147 A CA -0.185 51.697 52.037 -0.257 0.000 0.079 147 A CB -1.444 17.501 19.000 -0.092 0.000 3.949 147 A HN 0.505 nan 8.150 nan 0.000 0.546 148 F N 1.273 121.146 119.950 -0.128 0.000 2.471 148 F HA 0.448 4.977 4.527 0.004 0.000 0.353 148 F C 1.694 177.421 175.800 -0.121 0.000 1.113 148 F CA 0.586 58.510 58.000 -0.127 0.000 1.262 148 F CB 0.667 39.576 39.000 -0.151 0.000 1.146 148 F HN 0.645 nan 8.300 nan 0.000 0.578 149 R N 1.567 122.135 120.500 0.113 0.000 2.707 149 R HA 0.130 4.472 4.340 0.004 0.000 0.270 149 R C -0.046 176.237 176.300 -0.028 0.000 1.083 149 R CA -0.674 55.447 56.100 0.035 0.000 1.182 149 R CB 0.312 30.643 30.300 0.052 0.000 1.084 149 R HN 0.623 nan 8.270 nan 0.000 0.528 150 E N 1.081 121.253 120.200 -0.047 0.000 2.481 150 E HA -0.125 4.227 4.350 0.004 0.000 0.263 150 E C 0.461 177.069 176.600 0.014 0.000 0.992 150 E CA 0.007 56.350 56.400 -0.094 0.000 0.938 150 E CB 0.227 29.915 29.700 -0.021 0.000 0.933 150 E HN 0.392 nan 8.360 nan 0.000 0.453 151 F N 1.299 121.323 119.950 0.122 0.000 2.154 151 F HA -0.256 4.274 4.527 0.004 0.000 0.301 151 F C 2.732 178.631 175.800 0.165 0.000 1.087 151 F CA 1.634 59.748 58.000 0.191 0.000 1.274 151 F CB -0.932 38.151 39.000 0.138 0.000 1.009 151 F HN 0.468 nan 8.300 nan 0.000 0.485 152 S N -0.793 115.069 115.700 0.270 0.000 2.399 152 S HA -0.217 4.255 4.470 0.004 0.000 0.231 152 S C 1.896 176.593 174.600 0.162 0.000 1.022 152 S CA 1.349 59.654 58.200 0.175 0.000 0.983 152 S CB -0.616 62.654 63.200 0.117 0.000 0.803 152 S HN 0.376 nan 8.310 nan 0.000 0.480 153 D N 1.863 122.352 120.400 0.148 0.000 2.097 153 D HA -0.010 4.633 4.640 0.004 0.000 0.197 153 D C 1.801 178.194 176.300 0.154 0.000 0.984 153 D CA 1.265 55.338 54.000 0.121 0.000 0.826 153 D CB -0.425 40.424 40.800 0.081 0.000 0.973 153 D HN 0.513 nan 8.370 nan 0.000 0.460 154 I N -0.142 120.553 120.570 0.209 0.000 2.163 154 I HA -0.255 3.918 4.170 0.004 0.000 0.243 154 I C 2.539 178.842 176.117 0.311 0.000 1.085 154 I CA 0.558 62.001 61.300 0.238 0.000 1.347 154 I CB -0.289 37.876 38.000 0.276 0.000 1.044 154 I HN -0.051 nan 8.210 nan 0.000 0.408 155 V N 0.136 120.273 119.914 0.373 0.000 2.282 155 V HA -0.350 3.772 4.120 0.004 0.000 0.249 155 V C 2.659 178.880 176.094 0.211 0.000 1.057 155 V CA 2.393 64.867 62.300 0.291 0.000 1.032 155 V CB -0.652 31.270 31.823 0.166 0.000 0.645 155 V HN 0.488 nan 8.190 nan 0.000 0.447 156 S N -0.640 115.168 115.700 0.180 0.000 2.370 156 S HA -0.140 4.333 4.470 0.004 0.000 0.226 156 S C 1.871 176.598 174.600 0.212 0.000 1.033 156 S CA 1.694 59.994 58.200 0.166 0.000 1.011 156 S CB -0.302 62.983 63.200 0.142 0.000 0.852 156 S HN 0.523 nan 8.310 nan 0.000 0.457 157 L N 0.658 122.004 121.223 0.206 0.000 2.217 157 L HA 0.091 4.433 4.340 0.004 0.000 0.211 157 L C 2.101 179.152 176.870 0.301 0.000 1.107 157 L CA 0.648 55.625 54.840 0.228 0.000 0.783 157 L CB -0.300 41.786 42.059 0.045 0.000 0.919 157 L HN 0.325 nan 8.230 nan 0.000 0.442 158 L N -0.947 120.433 121.223 0.262 0.000 2.418 158 L HA -0.080 4.263 4.340 0.004 0.000 0.218 158 L C 2.549 179.579 176.870 0.267 0.000 1.125 158 L CA 0.011 55.020 54.840 0.281 0.000 0.835 158 L CB -0.322 41.898 42.059 0.268 0.000 0.953 158 L HN 0.295 nan 8.230 nan 0.000 0.454 159 Q N 0.564 120.506 119.800 0.236 0.000 2.029 159 Q HA -0.213 4.130 4.340 0.004 0.000 0.209 159 Q C -0.232 175.866 176.000 0.163 0.000 0.999 159 Q CA 1.954 57.863 55.803 0.177 0.000 0.857 159 Q CB -1.929 26.897 28.738 0.147 0.000 0.926 159 Q HN 0.398 nan 8.270 nan 0.000 0.415 160 P HA -0.073 nan 4.420 nan 0.000 0.228 160 P C 0.834 178.213 177.300 0.131 0.000 1.151 160 P CA 1.035 64.188 63.100 0.089 0.000 0.770 160 P CB 0.042 31.725 31.700 -0.028 0.000 0.786 161 V N -5.883 114.167 119.914 0.228 0.000 3.070 161 V HA 0.564 4.687 4.120 0.004 0.000 0.345 161 V C 1.602 177.835 176.094 0.231 0.000 1.403 161 V CA 0.205 62.660 62.300 0.258 0.000 1.155 161 V CB -0.559 31.503 31.823 0.399 0.000 1.140 161 V HN -0.081 nan 8.190 nan 0.000 0.505 162 A N 1.537 124.463 122.820 0.177 0.000 1.978 162 A HA 0.060 4.382 4.320 0.004 0.000 0.220 162 A C 2.102 179.763 177.584 0.127 0.000 1.170 162 A CA 2.018 54.145 52.037 0.151 0.000 0.636 162 A CB -0.820 18.251 19.000 0.118 0.000 0.810 162 A HN 0.944 nan 8.150 nan 0.000 0.448 163 G N -1.529 107.341 108.800 0.116 0.000 2.985 163 G HA2 0.285 4.248 3.960 0.004 0.000 0.209 163 G HA3 0.285 4.248 3.960 0.004 0.000 0.209 163 G C 1.310 176.273 174.900 0.105 0.000 1.165 163 G CA 0.862 46.016 45.100 0.089 0.000 0.776 163 G HN 0.678 nan 8.290 nan 0.000 0.541 164 A N -0.498 122.418 122.820 0.160 0.000 1.969 164 A HA 0.110 4.432 4.320 0.004 0.000 0.218 164 A C 1.009 178.693 177.584 0.168 0.000 1.169 164 A CA 0.905 53.061 52.037 0.199 0.000 0.635 164 A CB -0.112 19.099 19.000 0.351 0.000 0.810 164 A HN 0.417 nan 8.150 nan 0.000 0.445 165 H N -1.852 117.223 119.070 0.007 0.000 3.112 165 H HA 0.185 4.743 4.556 0.004 0.000 0.347 165 H C 0.882 176.203 175.328 -0.012 0.000 1.188 165 H CA 0.239 56.266 56.048 -0.035 0.000 1.240 165 H CB 1.345 31.032 29.762 -0.125 0.000 1.920 165 H HN 0.184 nan 8.280 nan 0.000 0.535 166 S N 2.226 117.784 115.700 -0.236 0.000 2.399 166 S HA -0.143 4.330 4.470 0.004 0.000 0.231 166 S C 1.989 176.673 174.600 0.141 0.000 1.022 166 S CA 0.966 59.136 58.200 -0.051 0.000 0.983 166 S CB -0.258 62.853 63.200 -0.147 0.000 0.803 166 S HN 0.576 nan 8.310 nan 0.000 0.480 167 A N 1.748 124.791 122.820 0.372 0.000 1.972 167 A HA 0.109 4.431 4.320 0.004 0.000 0.219 167 A C 2.144 179.858 177.584 0.216 0.000 1.169 167 A CA 1.256 53.446 52.037 0.254 0.000 0.635 167 A CB -0.727 18.352 19.000 0.131 0.000 0.810 167 A HN 0.589 nan 8.150 nan 0.000 0.446 168 I N -0.429 120.249 120.570 0.181 0.000 2.163 168 I HA -0.239 3.934 4.170 0.004 0.000 0.240 168 I C 3.006 179.250 176.117 0.212 0.000 1.081 168 I CA 0.971 62.371 61.300 0.167 0.000 1.353 168 I CB -0.414 37.662 38.000 0.127 0.000 1.054 168 I HN 0.337 nan 8.210 nan 0.000 0.407 169 A N 0.216 123.137 122.820 0.168 0.000 1.917 169 A HA -0.350 3.972 4.320 0.004 0.000 0.219 169 A C 2.189 179.858 177.584 0.143 0.000 1.182 169 A CA 2.413 54.531 52.037 0.134 0.000 0.633 169 A CB -1.129 17.928 19.000 0.095 0.000 0.819 169 A HN 0.532 nan 8.150 nan 0.000 0.448 170 H N -1.610 117.502 119.070 0.070 0.000 2.319 170 H HA -0.181 4.377 4.556 0.004 0.000 0.299 170 H C 1.685 177.042 175.328 0.048 0.000 1.092 170 H CA 2.274 58.349 56.048 0.044 0.000 1.302 170 H CB -0.466 29.324 29.762 0.048 0.000 1.373 170 H HN 0.496 nan 8.280 nan 0.000 0.497 171 F N 0.411 120.349 119.950 -0.020 0.000 2.102 171 F HA -0.142 4.387 4.527 0.003 0.000 0.298 171 F C 2.077 177.817 175.800 -0.101 0.000 1.105 171 F CA 1.319 59.259 58.000 -0.099 0.000 1.239 171 F CB -0.499 38.485 39.000 -0.027 0.000 0.991 171 F HN 0.159 nan 8.300 nan 0.000 0.474 172 L N -0.003 121.198 121.223 -0.037 0.000 2.127 172 L HA -0.255 4.088 4.340 0.004 0.000 0.211 172 L C 2.461 179.201 176.870 -0.218 0.000 1.089 172 L CA 1.453 56.218 54.840 -0.126 0.000 0.757 172 L CB -0.777 41.312 42.059 0.050 0.000 0.899 172 L HN 0.282 nan 8.230 nan 0.000 0.434 173 Q N -0.878 118.807 119.800 -0.191 0.000 2.119 173 Q HA -0.048 4.295 4.340 0.004 0.000 0.201 173 Q C -0.016 175.825 176.000 -0.265 0.000 0.972 173 Q CA 0.805 56.497 55.803 -0.185 0.000 0.847 173 Q CB 0.381 29.034 28.738 -0.141 0.000 0.903 173 Q HN 0.283 nan 8.270 nan 0.000 0.433 174 V N 1.971 121.650 119.914 -0.390 0.000 2.595 174 V HA 0.213 4.336 4.120 0.004 0.000 0.269 174 V C -2.649 173.070 176.094 -0.625 0.000 0.982 174 V CA -1.534 60.516 62.300 -0.416 0.000 0.873 174 V CB 1.443 33.063 31.823 -0.339 0.000 1.051 174 V HN 0.011 nan 8.190 nan 0.000 0.466 175 P HA 0.300 nan 4.420 nan 0.000 0.277 175 P C -0.773 175.902 177.300 -1.042 0.000 1.354 175 P CA 0.246 62.568 63.100 -1.298 0.000 0.891 175 P CB 0.377 31.445 31.700 -1.053 0.000 1.058 176 N N 1.533 119.701 118.700 -0.887 0.000 2.972 176 N HA 0.470 5.212 4.740 0.004 0.000 0.262 176 N C 0.710 175.918 175.510 -0.505 0.000 1.478 176 N CA -0.992 51.503 53.050 -0.926 0.000 0.841 176 N CB 0.055 38.268 38.487 -0.457 0.000 1.512 176 N HN -0.002 nan 8.380 nan 0.000 0.548 177 A N -0.229 122.495 122.820 -0.160 0.000 1.902 177 A HA -0.191 4.132 4.320 0.004 0.000 0.217 177 A C 1.797 179.359 177.584 -0.037 0.000 1.181 177 A CA 1.983 54.100 52.037 0.134 0.000 0.623 177 A CB -1.074 18.054 19.000 0.215 0.000 0.818 177 A HN 0.865 nan 8.150 nan 0.000 0.443 178 E N -0.214 119.943 120.200 -0.072 0.000 2.051 178 E HA -0.214 4.139 4.350 0.004 0.000 0.192 178 E C 2.174 178.710 176.600 -0.105 0.000 0.991 178 E CA 1.142 57.485 56.400 -0.095 0.000 0.799 178 E CB -0.146 29.517 29.700 -0.063 0.000 0.748 178 E HN 0.589 nan 8.360 nan 0.000 0.449 179 R N 0.002 120.470 120.500 -0.053 0.000 2.148 179 R HA -0.069 4.274 4.340 0.004 0.000 0.223 179 R C 2.480 178.845 176.300 0.108 0.000 1.088 179 R CA 0.575 56.709 56.100 0.058 0.000 0.985 179 R CB -0.268 30.033 30.300 0.002 0.000 0.880 179 R HN 0.236 nan 8.270 nan 0.000 0.451 180 L N 0.743 121.997 121.223 0.052 0.000 2.046 180 L HA -0.126 4.217 4.340 0.004 0.000 0.208 180 L C 2.361 178.965 176.870 -0.445 0.000 1.077 180 L CA 1.814 56.532 54.840 -0.202 0.000 0.747 180 L CB -0.755 41.245 42.059 -0.098 0.000 0.896 180 L HN 0.004 nan 8.230 nan 0.000 0.432 181 S N -1.122 114.106 115.700 -0.787 0.000 2.356 181 S HA -0.263 4.209 4.470 0.004 0.000 0.223 181 S C 1.960 176.257 174.600 -0.505 0.000 1.032 181 S CA 1.687 59.067 58.200 -1.367 0.000 1.005 181 S CB -0.236 62.230 63.200 -1.223 0.000 0.867 181 S HN 0.679 nan 8.310 nan 0.000 0.449 182 Q N -0.022 119.621 119.800 -0.262 0.000 2.124 182 Q HA -0.096 4.247 4.340 0.004 0.000 0.202 182 Q C 2.209 178.168 176.000 -0.068 0.000 0.977 182 Q CA 1.526 57.268 55.803 -0.103 0.000 0.850 182 Q CB -0.342 28.392 28.738 -0.007 0.000 0.901 182 Q HN 0.494 nan 8.270 nan 0.000 0.429 183 L N 0.001 121.188 121.223 -0.060 0.000 2.017 183 L HA -0.161 4.182 4.340 0.004 0.000 0.208 183 L C 2.008 178.844 176.870 -0.057 0.000 1.073 183 L CA 1.688 56.488 54.840 -0.068 0.000 0.745 183 L CB -0.739 41.249 42.059 -0.118 0.000 0.894 183 L HN 0.148 nan 8.230 nan 0.000 0.432 184 F N 0.386 120.243 119.950 -0.154 0.000 2.095 184 F HA -0.214 4.315 4.527 0.003 0.000 0.298 184 F C 2.340 178.109 175.800 -0.050 0.000 1.104 184 F CA 1.841 59.827 58.000 -0.025 0.000 1.232 184 F CB -0.742 38.368 39.000 0.184 0.000 0.987 184 F HN 0.180 nan 8.300 nan 0.000 0.475 185 A N -0.828 122.006 122.820 0.024 0.000 1.902 185 A HA -0.162 4.160 4.320 0.004 0.000 0.217 185 A C 2.363 179.856 177.584 -0.151 0.000 1.181 185 A CA 2.038 54.034 52.037 -0.068 0.000 0.623 185 A CB -1.246 17.748 19.000 -0.010 0.000 0.818 185 A HN 0.427 nan 8.150 nan 0.000 0.443 186 S N -0.116 115.485 115.700 -0.165 0.000 2.368 186 S HA -0.089 4.384 4.470 0.004 0.000 0.225 186 S C 1.846 176.220 174.600 -0.375 0.000 1.030 186 S CA 1.436 59.494 58.200 -0.236 0.000 0.999 186 S CB -0.471 62.586 63.200 -0.238 0.000 0.844 186 S HN 0.500 nan 8.310 nan 0.000 0.459 187 L N 1.071 122.050 121.223 -0.407 0.000 2.017 187 L HA -0.107 4.235 4.340 0.004 0.000 0.208 187 L C 2.267 178.953 176.870 -0.307 0.000 1.073 187 L CA 1.150 55.730 54.840 -0.434 0.000 0.745 187 L CB -0.592 41.220 42.059 -0.413 0.000 0.894 187 L HN 0.282 nan 8.230 nan 0.000 0.432 188 L N -0.294 120.738 121.223 -0.319 0.000 2.131 188 L HA -0.204 4.138 4.340 0.004 0.000 0.210 188 L C 1.819 178.582 176.870 -0.178 0.000 1.092 188 L CA 1.038 55.715 54.840 -0.270 0.000 0.759 188 L CB -0.439 41.411 42.059 -0.347 0.000 0.903 188 L HN 0.340 nan 8.230 nan 0.000 0.435 189 N N -0.496 118.107 118.700 -0.162 0.000 2.322 189 N HA 0.070 4.813 4.740 0.004 0.000 0.194 189 N C 0.406 175.875 175.510 -0.068 0.000 1.126 189 N CA -0.027 52.965 53.050 -0.096 0.000 0.845 189 N CB 0.121 38.566 38.487 -0.071 0.000 0.976 189 N HN 0.103 nan 8.380 nan 0.000 0.475 190 M N 0.831 120.374 119.600 -0.095 0.000 2.251 190 M HA 0.020 4.502 4.480 0.004 0.000 0.343 190 M C -0.135 176.165 176.300 0.000 0.000 1.245 190 M CA 0.668 55.946 55.300 -0.038 0.000 1.061 190 M CB 0.550 33.118 32.600 -0.054 0.000 1.723 190 M HN 0.088 nan 8.290 nan 0.000 0.449 191 Q N 1.566 121.381 119.800 0.026 0.000 2.413 191 Q HA 0.591 4.934 4.340 0.004 0.000 0.276 191 Q C 0.443 176.465 176.000 0.036 0.000 1.099 191 Q CA -0.025 55.795 55.803 0.028 0.000 0.814 191 Q CB 1.911 30.664 28.738 0.025 0.000 1.379 191 Q HN 0.968 nan 8.270 nan 0.000 0.436 192 G N 2.073 110.894 108.800 0.034 0.000 2.634 192 G HA2 -0.405 3.557 3.960 0.004 0.000 0.309 192 G HA3 -0.405 3.557 3.960 0.004 0.000 0.309 192 G C 0.724 175.647 174.900 0.038 0.000 1.265 192 G CA 0.823 45.942 45.100 0.033 0.000 0.998 192 G HN 0.698 nan 8.290 nan 0.000 0.551 193 E N 0.475 120.695 120.200 0.033 0.000 2.204 193 E HA -0.087 4.266 4.350 0.004 0.000 0.194 193 E C 2.294 178.921 176.600 0.046 0.000 0.989 193 E CA 0.992 57.413 56.400 0.035 0.000 0.824 193 E CB -0.099 29.616 29.700 0.025 0.000 0.756 193 E HN 0.669 nan 8.360 nan 0.000 0.477 194 E N 1.861 122.090 120.200 0.048 0.000 2.058 194 E HA -0.269 4.083 4.350 0.004 0.000 0.194 194 E C 2.104 178.766 176.600 0.103 0.000 0.997 194 E CA 1.305 57.747 56.400 0.069 0.000 0.801 194 E CB 0.037 29.784 29.700 0.078 0.000 0.746 194 E HN 0.050 nan 8.360 nan 0.000 0.450 195 K N 0.358 120.809 120.400 0.085 0.000 2.026 195 K HA -0.140 4.182 4.320 0.004 0.000 0.208 195 K C 2.428 179.093 176.600 0.109 0.000 1.048 195 K CA 1.744 58.085 56.287 0.091 0.000 0.929 195 K CB -0.191 32.347 32.500 0.064 0.000 0.713 195 K HN 0.186 nan 8.250 nan 0.000 0.439 196 S N 0.476 116.226 115.700 0.083 0.000 2.382 196 S HA -0.189 4.283 4.470 0.004 0.000 0.228 196 S C 2.117 176.770 174.600 0.089 0.000 1.027 196 S CA 1.071 59.318 58.200 0.078 0.000 0.991 196 S CB -0.353 62.880 63.200 0.055 0.000 0.823 196 S HN 0.362 nan 8.310 nan 0.000 0.469 197 R N 1.431 121.983 120.500 0.087 0.000 2.073 197 R HA 0.009 4.351 4.340 0.004 0.000 0.234 197 R C 2.562 178.944 176.300 0.135 0.000 1.134 197 R CA 1.333 57.486 56.100 0.089 0.000 0.952 197 R CB -0.843 29.497 30.300 0.067 0.000 0.850 197 R HN 0.531 nan 8.270 nan 0.000 0.433 198 A N 0.930 123.858 122.820 0.181 0.000 1.883 198 A HA -0.153 4.170 4.320 0.004 0.000 0.217 198 A C 2.180 179.999 177.584 0.391 0.000 1.186 198 A CA 1.323 53.536 52.037 0.295 0.000 0.624 198 A CB -0.625 18.522 19.000 0.246 0.000 0.822 198 A HN 0.345 nan 8.150 nan 0.000 0.444 199 L N -0.897 120.495 121.223 0.283 0.000 2.083 199 L HA -0.190 4.152 4.340 0.004 0.000 0.209 199 L C 3.086 180.009 176.870 0.088 0.000 1.083 199 L CA 0.936 55.875 54.840 0.164 0.000 0.752 199 L CB -0.575 41.557 42.059 0.122 0.000 0.899 199 L HN 0.465 nan 8.230 nan 0.000 0.433 200 A N -0.231 122.647 122.820 0.096 0.000 1.902 200 A HA -0.147 4.176 4.320 0.004 0.000 0.217 200 A C 2.337 179.961 177.584 0.067 0.000 1.181 200 A CA 1.716 53.792 52.037 0.065 0.000 0.623 200 A CB -0.762 18.273 19.000 0.060 0.000 0.818 200 A HN 0.188 nan 8.150 nan 0.000 0.443 201 V N -0.264 119.714 119.914 0.107 0.000 2.295 201 V HA -0.235 3.887 4.120 0.004 0.000 0.246 201 V C 2.495 178.644 176.094 0.091 0.000 1.049 201 V CA 1.981 64.348 62.300 0.111 0.000 1.024 201 V CB -0.809 31.113 31.823 0.166 0.000 0.648 201 V HN 0.598 nan 8.190 nan 0.000 0.447 202 L N 0.320 121.591 121.223 0.080 0.000 2.017 202 L HA -0.178 4.165 4.340 0.004 0.000 0.208 202 L C 2.408 179.269 176.870 -0.015 0.000 1.073 202 L CA 2.006 56.822 54.840 -0.039 0.000 0.745 202 L CB -0.759 41.051 42.059 -0.416 0.000 0.894 202 L HN 0.233 nan 8.230 nan 0.000 0.432 203 K N -0.510 119.880 120.400 -0.017 0.000 2.097 203 K HA -0.107 4.216 4.320 0.004 0.000 0.206 203 K C 2.096 178.692 176.600 -0.007 0.000 1.049 203 K CA 1.273 57.556 56.287 -0.006 0.000 0.933 203 K CB -0.452 32.047 32.500 -0.001 0.000 0.717 203 K HN 0.483 nan 8.250 nan 0.000 0.442 204 A N 1.812 124.629 122.820 -0.004 0.000 1.908 204 A HA -0.174 4.149 4.320 0.004 0.000 0.218 204 A C 2.436 179.986 177.584 -0.057 0.000 1.181 204 A CA 1.966 53.990 52.037 -0.020 0.000 0.627 204 A CB -0.812 18.184 19.000 -0.007 0.000 0.818 204 A HN 0.341 nan 8.150 nan 0.000 0.445 205 A N -0.170 122.612 122.820 -0.064 0.000 1.940 205 A HA -0.109 4.214 4.320 0.004 0.000 0.219 205 A C 2.091 179.524 177.584 -0.252 0.000 1.176 205 A CA 1.568 53.495 52.037 -0.183 0.000 0.631 205 A CB -0.690 18.216 19.000 -0.156 0.000 0.814 205 A HN 0.508 nan 8.150 nan 0.000 0.446 206 L N -0.180 120.994 121.223 -0.082 0.000 2.261 206 L HA -0.181 4.161 4.340 0.004 0.000 0.216 206 L C 1.629 178.465 176.870 -0.058 0.000 1.114 206 L CA 0.926 55.760 54.840 -0.011 0.000 0.777 206 L CB -0.554 41.541 42.059 0.059 0.000 0.910 206 L HN 0.432 nan 8.230 nan 0.000 0.440 207 N N -0.903 117.750 118.700 -0.079 0.000 2.373 207 N HA -0.026 4.716 4.740 0.004 0.000 0.181 207 N C 1.422 176.869 175.510 -0.104 0.000 1.082 207 N CA 1.021 54.029 53.050 -0.071 0.000 0.885 207 N CB 0.432 38.892 38.487 -0.046 0.000 0.977 207 N HN 0.318 nan 8.380 nan 0.000 0.462 208 S N -0.989 114.609 115.700 -0.168 0.000 2.603 208 S HA 0.267 4.739 4.470 0.004 0.000 0.232 208 S C 0.322 174.754 174.600 -0.281 0.000 1.016 208 S CA -0.442 57.649 58.200 -0.182 0.000 0.976 208 S CB 0.903 64.009 63.200 -0.156 0.000 0.921 208 S HN -0.055 nan 8.310 nan 0.000 0.516 209 Q N 1.660 121.209 119.800 -0.418 0.000 2.365 209 Q HA 0.564 4.906 4.340 0.004 0.000 0.269 209 Q C -0.854 174.954 176.000 -0.320 0.000 1.061 209 Q CA -0.357 55.070 55.803 -0.626 0.000 0.816 209 Q CB 1.714 29.433 28.738 -1.699 0.000 1.325 209 Q HN 0.256 nan 8.270 nan 0.000 0.446 210 Q N 0.058 119.772 119.800 -0.144 0.000 2.351 210 Q HA 0.753 5.095 4.340 0.004 0.000 0.273 210 Q C 0.389 176.483 176.000 0.156 0.000 1.077 210 Q CA -0.274 55.541 55.803 0.019 0.000 0.843 210 Q CB 2.019 30.761 28.738 0.006 0.000 1.367 210 Q HN 0.820 nan 8.270 nan 0.000 0.449 211 G N 1.470 110.364 108.800 0.157 0.000 2.693 211 G HA2 -0.186 3.777 3.960 0.004 0.000 0.226 211 G HA3 -0.186 3.777 3.960 0.004 0.000 0.226 211 G C -0.749 174.287 174.900 0.227 0.000 1.354 211 G CA -0.571 44.627 45.100 0.165 0.000 0.873 211 G HN 0.482 nan 8.290 nan 0.000 0.562 212 E N 1.260 121.542 120.200 0.138 0.000 2.319 212 E HA 0.387 4.739 4.350 0.004 0.000 0.268 212 E C -1.249 175.327 176.600 -0.041 0.000 1.050 212 E CA -1.198 55.227 56.400 0.041 0.000 0.878 212 E CB 1.353 31.056 29.700 0.005 0.000 1.066 212 E HN 0.356 nan 8.360 nan 0.000 0.406 213 P HA 0.046 nan 4.420 nan 0.000 0.257 213 P C 0.566 177.693 177.300 -0.287 0.000 1.281 213 P CA 0.228 63.150 63.100 -0.297 0.000 0.826 213 P CB -0.005 31.474 31.700 -0.368 0.000 1.237 214 W N 0.747 122.046 121.300 -0.000 0.000 2.388 214 W HA -0.099 4.564 4.660 0.005 0.000 0.294 214 W C 2.650 179.163 176.519 -0.011 0.000 1.212 214 W CA 0.669 58.008 57.345 -0.010 0.000 1.271 214 W CB -1.047 28.410 29.460 -0.005 0.000 1.126 214 W HN 0.031 nan 8.180 nan 0.000 0.535 215 Q N 0.458 120.370 119.800 0.188 0.000 2.061 215 Q HA -0.172 4.170 4.340 0.004 0.000 0.204 215 Q C 1.973 178.007 176.000 0.057 0.000 0.984 215 Q CA 2.842 58.709 55.803 0.107 0.000 0.846 215 Q CB -0.849 27.938 28.738 0.081 0.000 0.902 215 Q HN 0.129 nan 8.270 nan 0.000 0.421 216 T N 0.841 115.403 114.554 0.013 0.000 2.720 216 T HA -0.117 4.235 4.350 0.004 0.000 0.268 216 T C 1.739 176.436 174.700 -0.005 0.000 1.037 216 T CA 1.529 63.621 62.100 -0.013 0.000 1.144 216 T CB -0.302 68.532 68.868 -0.056 0.000 0.864 216 T HN 0.303 nan 8.240 nan 0.000 0.444 217 I N 0.684 121.243 120.570 -0.019 0.000 2.208 217 I HA -0.226 3.947 4.170 0.004 0.000 0.245 217 I C 2.819 178.960 176.117 0.039 0.000 1.097 217 I CA 1.410 62.704 61.300 -0.010 0.000 1.363 217 I CB -0.432 37.551 38.000 -0.028 0.000 1.051 217 I HN 0.160 nan 8.210 nan 0.000 0.413 218 R N 0.368 120.907 120.500 0.065 0.000 2.083 218 R HA -0.151 4.191 4.340 0.004 0.000 0.237 218 R C 2.363 178.704 176.300 0.069 0.000 1.137 218 R CA 1.595 57.734 56.100 0.064 0.000 0.951 218 R CB -0.619 29.722 30.300 0.069 0.000 0.851 218 R HN 0.226 nan 8.270 nan 0.000 0.434 219 V N 1.454 121.415 119.914 0.080 0.000 2.287 219 V HA -0.253 3.870 4.120 0.004 0.000 0.248 219 V C 2.280 178.495 176.094 0.203 0.000 1.053 219 V CA 1.832 64.205 62.300 0.122 0.000 1.027 219 V CB -0.399 31.483 31.823 0.099 0.000 0.646 219 V HN 0.294 nan 8.190 nan 0.000 0.447 220 I N 1.055 121.722 120.570 0.162 0.000 2.286 220 I HA -0.219 3.953 4.170 0.004 0.000 0.248 220 I C 2.620 178.906 176.117 0.282 0.000 1.115 220 I CA 1.731 63.174 61.300 0.238 0.000 1.392 220 I CB -0.490 37.576 38.000 0.111 0.000 1.065 220 I HN 0.488 nan 8.210 nan 0.000 0.418 221 S N 0.396 116.187 115.700 0.152 0.000 2.442 221 S HA -0.173 4.299 4.470 0.004 0.000 0.236 221 S C 1.650 176.283 174.600 0.054 0.000 1.007 221 S CA 0.959 59.222 58.200 0.104 0.000 0.965 221 S CB -0.480 62.749 63.200 0.048 0.000 0.773 221 S HN 0.518 nan 8.310 nan 0.000 0.504 222 E N -0.030 120.182 120.200 0.019 0.000 2.204 222 E HA -0.114 4.239 4.350 0.004 0.000 0.194 222 E C 1.256 177.636 176.600 -0.366 0.000 0.989 222 E CA 1.369 57.653 56.400 -0.192 0.000 0.824 222 E CB -0.237 29.281 29.700 -0.303 0.000 0.756 222 E HN 0.812 nan 8.360 nan 0.000 0.477 223 Y N -1.770 118.493 120.300 -0.062 0.000 2.524 223 Y HA 0.072 4.624 4.550 0.003 0.000 0.270 223 Y C 0.396 176.024 175.900 -0.454 0.000 1.094 223 Y CA 0.189 58.131 58.100 -0.264 0.000 1.276 223 Y CB 0.602 38.861 38.460 -0.334 0.000 1.130 223 Y HN -0.048 nan 8.280 nan 0.000 0.536 224 Y N 0.760 121.137 120.300 0.130 0.000 2.470 224 Y HA 0.320 4.872 4.550 0.003 0.000 0.352 224 Y C -2.018 173.901 175.900 0.032 0.000 0.967 224 Y CA -2.707 55.432 58.100 0.065 0.000 1.121 224 Y CB 0.511 38.998 38.460 0.045 0.000 1.149 224 Y HN -0.046 nan 8.280 nan 0.000 0.641 225 P HA -0.103 nan 4.420 nan 0.000 0.226 225 P C 0.549 177.890 177.300 0.067 0.000 1.153 225 P CA 1.341 64.479 63.100 0.064 0.000 0.777 225 P CB 0.649 32.360 31.700 0.018 0.000 0.794 226 D N -0.295 120.157 120.400 0.086 0.000 2.696 226 D HA 0.082 4.724 4.640 0.004 0.000 0.269 226 D C -0.682 175.672 176.300 0.089 0.000 1.319 226 D CA -0.247 53.799 54.000 0.076 0.000 0.826 226 D CB -0.392 40.444 40.800 0.061 0.000 1.086 226 D HN -0.070 nan 8.370 nan 0.000 0.481 227 D N -0.597 119.865 120.400 0.104 0.000 2.278 227 D HA 0.147 4.789 4.640 0.004 0.000 0.245 227 D C 0.625 176.964 176.300 0.066 0.000 1.052 227 D CA -0.309 53.738 54.000 0.079 0.000 0.834 227 D CB 1.979 42.831 40.800 0.088 0.000 1.194 227 D HN -0.143 nan 8.370 nan 0.000 0.481 228 S N 1.840 117.570 115.700 0.050 0.000 2.469 228 S HA -0.070 4.402 4.470 0.004 0.000 0.238 228 S C 1.838 176.496 174.600 0.097 0.000 0.998 228 S CA 0.749 59.007 58.200 0.097 0.000 0.957 228 S CB 0.076 63.268 63.200 -0.013 0.000 0.764 228 S HN 0.713 nan 8.310 nan 0.000 0.514 229 G N 1.364 110.153 108.800 -0.019 0.000 2.586 229 G HA2 -0.087 3.875 3.960 0.004 0.000 0.215 229 G HA3 -0.087 3.875 3.960 0.004 0.000 0.215 229 G C 1.112 175.991 174.900 -0.034 0.000 1.128 229 G CA 0.220 45.278 45.100 -0.070 0.000 0.774 229 G HN 0.467 nan 8.290 nan 0.000 0.543 230 L N -0.932 120.291 121.223 -0.000 0.000 2.265 230 L HA 0.039 4.381 4.340 0.004 0.000 0.215 230 L C 2.215 179.001 176.870 -0.140 0.000 1.117 230 L CA 0.519 55.314 54.840 -0.075 0.000 0.782 230 L CB -0.285 41.709 42.059 -0.109 0.000 0.914 230 L HN 0.180 nan 8.230 nan 0.000 0.441 231 F N -0.272 119.655 119.950 -0.039 0.000 2.558 231 F HA -0.132 4.398 4.527 0.005 0.000 0.298 231 F C 2.760 178.527 175.800 -0.054 0.000 1.119 231 F CA 0.966 58.945 58.000 -0.035 0.000 1.451 231 F CB -0.377 38.608 39.000 -0.025 0.000 1.091 231 F HN 0.140 nan 8.300 nan 0.000 0.563 232 S N 0.260 116.014 115.700 0.091 0.000 2.383 232 S HA -0.126 4.346 4.470 0.004 0.000 0.229 232 S C -0.641 173.950 174.600 -0.015 0.000 1.030 232 S CA 0.810 59.041 58.200 0.051 0.000 1.002 232 S CB -1.728 61.469 63.200 -0.004 0.000 0.829 232 S HN 0.174 nan 8.310 nan 0.000 0.467 233 P HA 0.079 nan 4.420 nan 0.000 0.228 233 P C 1.123 178.323 177.300 -0.166 0.000 1.151 233 P CA 0.691 63.710 63.100 -0.136 0.000 0.770 233 P CB -0.184 31.406 31.700 -0.183 0.000 0.786 234 L N -2.083 119.058 121.223 -0.137 0.000 2.341 234 L HA -0.000 4.342 4.340 0.004 0.000 0.214 234 L C 1.964 178.832 176.870 -0.002 0.000 1.115 234 L CA 0.930 55.698 54.840 -0.120 0.000 0.820 234 L CB -0.481 41.544 42.059 -0.057 0.000 0.944 234 L HN 0.020 nan 8.230 nan 0.000 0.452 235 L N -1.044 120.211 121.223 0.053 0.000 2.425 235 L HA 0.191 4.533 4.340 0.004 0.000 0.215 235 L C 0.660 177.615 176.870 0.142 0.000 1.065 235 L CA 0.102 55.031 54.840 0.149 0.000 0.842 235 L CB 0.161 42.388 42.059 0.280 0.000 1.033 235 L HN 0.073 nan 8.230 nan 0.000 0.474 236 L N 0.467 121.690 121.223 0.001 0.000 2.331 236 L HA 0.342 4.684 4.340 0.004 0.000 0.275 236 L C -0.228 176.595 176.870 -0.078 0.000 1.022 236 L CA -0.751 54.022 54.840 -0.112 0.000 0.812 236 L CB 1.103 43.048 42.059 -0.190 0.000 1.257 236 L HN 0.075 nan 8.230 nan 0.000 0.435 237 N N 1.464 120.120 118.700 -0.074 0.000 2.447 237 N HA 0.071 4.813 4.740 0.004 0.000 0.263 237 N C -0.598 174.881 175.510 -0.052 0.000 1.226 237 N CA -0.021 53.001 53.050 -0.048 0.000 0.906 237 N CB 1.484 39.953 38.487 -0.029 0.000 1.060 237 N HN 0.199 nan 8.380 nan 0.000 0.468 238 V N 3.177 123.058 119.914 -0.054 0.000 2.461 238 V HA 0.216 4.339 4.120 0.004 0.000 0.275 238 V C 0.536 176.615 176.094 -0.026 0.000 1.047 238 V CA -0.631 61.637 62.300 -0.052 0.000 0.955 238 V CB 1.203 32.984 31.823 -0.071 0.000 0.988 238 V HN 0.418 nan 8.190 nan 0.000 0.471 239 V N 2.531 122.438 119.914 -0.011 0.000 2.604 239 V HA 0.725 4.847 4.120 0.004 0.000 0.305 239 V C -0.459 175.642 176.094 0.011 0.000 1.043 239 V CA -0.919 61.389 62.300 0.014 0.000 0.888 239 V CB 2.020 33.870 31.823 0.046 0.000 0.995 239 V HN 0.665 nan 8.190 nan 0.000 0.429 240 K N 4.968 125.379 120.400 0.018 0.000 2.473 240 K HA 0.517 4.840 4.320 0.004 0.000 0.246 240 K C -0.886 175.740 176.600 0.044 0.000 1.011 240 K CA -0.473 55.826 56.287 0.020 0.000 0.984 240 K CB 1.238 33.743 32.500 0.008 0.000 1.250 240 K HN 0.874 nan 8.250 nan 0.000 0.454 241 L N 3.655 124.928 121.223 0.083 0.000 2.410 241 L HA 0.164 4.507 4.340 0.004 0.000 0.273 241 L C 0.852 177.739 176.870 0.029 0.000 1.152 241 L CA -0.246 54.630 54.840 0.060 0.000 0.855 241 L CB 0.242 42.344 42.059 0.072 0.000 1.129 241 L HN 0.377 nan 8.230 nan 0.000 0.463 242 N N 3.840 122.540 118.700 -0.000 0.000 2.467 242 N HA 0.246 4.989 4.740 0.004 0.000 0.262 242 N C -2.360 173.106 175.510 -0.073 0.000 1.234 242 N CA -1.339 51.702 53.050 -0.015 0.000 0.952 242 N CB 0.444 38.928 38.487 -0.005 0.000 1.158 242 N HN 0.276 nan 8.380 nan 0.000 0.463 243 P HA 0.021 nan 4.420 nan 0.000 0.262 243 P C 0.811 177.990 177.300 -0.201 0.000 1.182 243 P CA 0.827 63.839 63.100 -0.146 0.000 0.761 243 P CB 0.238 31.906 31.700 -0.052 0.000 0.795 244 G N 1.674 110.168 108.800 -0.510 0.000 2.195 244 G HA2 -0.217 3.745 3.960 0.004 0.000 0.246 244 G HA3 -0.217 3.745 3.960 0.004 0.000 0.246 244 G C 0.019 174.777 174.900 -0.236 0.000 0.984 244 G CA -0.298 44.539 45.100 -0.437 0.000 0.633 244 G HN 0.547 nan 8.290 nan 0.000 0.525 245 E N 0.392 120.441 120.200 -0.252 0.000 2.319 245 E HA 0.680 5.033 4.350 0.004 0.000 0.268 245 E C 0.293 176.820 176.600 -0.122 0.000 1.050 245 E CA 0.132 56.504 56.400 -0.047 0.000 0.878 245 E CB 1.596 31.285 29.700 -0.017 0.000 1.066 245 E HN 0.823 nan 8.360 nan 0.000 0.406 246 A N 2.389 125.258 122.820 0.080 0.000 2.566 246 A HA 0.747 5.069 4.320 0.004 0.000 0.292 246 A C -1.066 176.559 177.584 0.068 0.000 1.112 246 A CA -0.708 51.340 52.037 0.018 0.000 0.707 246 A CB 1.410 20.416 19.000 0.010 0.000 1.302 246 A HN 0.551 nan 8.150 nan 0.000 0.409 247 M N 0.717 120.322 119.600 0.008 0.000 2.572 247 M HA 0.507 4.990 4.480 0.004 0.000 0.299 247 M C -1.500 174.785 176.300 -0.025 0.000 1.205 247 M CA -0.365 54.955 55.300 0.033 0.000 0.876 247 M CB 2.508 35.141 32.600 0.054 0.000 1.728 247 M HN 0.539 nan 8.290 nan 0.000 0.458 248 F N 2.537 122.456 119.950 -0.051 0.000 2.427 248 F HA 0.543 5.072 4.527 0.004 0.000 0.346 248 F C 0.039 175.692 175.800 -0.244 0.000 1.120 248 F CA -1.574 56.312 58.000 -0.190 0.000 1.033 248 F CB 0.999 39.786 39.000 -0.356 0.000 1.126 248 F HN 0.466 nan 8.300 nan 0.000 0.462 249 L N 3.607 124.701 121.223 -0.216 0.000 2.315 249 L HA 0.382 4.724 4.340 0.004 0.000 0.283 249 L C -0.338 176.458 176.870 -0.123 0.000 1.089 249 L CA -0.024 54.706 54.840 -0.182 0.000 0.833 249 L CB -0.099 41.765 42.059 -0.326 0.000 1.170 249 L HN 0.512 nan 8.230 nan 0.000 0.442 250 F N 1.576 121.543 119.950 0.028 0.000 2.378 250 F HA 0.478 5.007 4.527 0.004 0.000 0.319 250 F C 1.089 176.925 175.800 0.060 0.000 1.155 250 F CA -0.232 57.804 58.000 0.061 0.000 1.157 250 F CB 0.827 39.828 39.000 0.001 0.000 1.252 250 F HN 0.521 nan 8.300 nan 0.000 0.550 251 A N 0.878 123.747 122.820 0.081 0.000 2.492 251 A HA 0.180 4.502 4.320 0.004 0.000 0.236 251 A C 0.630 178.197 177.584 -0.027 0.000 1.078 251 A CA 0.021 51.943 52.037 -0.192 0.000 0.773 251 A CB -0.340 18.230 19.000 -0.716 0.000 1.023 251 A HN 0.945 nan 8.150 nan 0.000 0.504 252 E N -1.453 118.730 120.200 -0.028 0.000 2.791 252 E HA -0.168 4.185 4.350 0.004 0.000 0.271 252 E C -0.567 175.970 176.600 -0.106 0.000 1.044 252 E CA 1.123 57.484 56.400 -0.066 0.000 0.814 252 E CB -2.184 27.468 29.700 -0.080 0.000 1.400 252 E HN 0.637 nan 8.360 nan 0.000 0.423 253 T N 0.921 115.444 114.554 -0.052 0.000 2.890 253 T HA 0.384 4.736 4.350 0.004 0.000 0.295 253 T C -2.657 171.985 174.700 -0.097 0.000 0.993 253 T CA -1.300 60.742 62.100 -0.096 0.000 0.979 253 T CB 2.022 70.898 68.868 0.013 0.000 0.967 253 T HN -0.169 nan 8.240 nan 0.000 0.441 254 P HA 0.220 nan 4.420 nan 0.000 0.271 254 P C -0.525 176.639 177.300 -0.227 0.000 1.216 254 P CA -0.098 62.794 63.100 -0.347 0.000 0.776 254 P CB 0.369 31.801 31.700 -0.447 0.000 0.881 255 H N 0.260 119.173 119.070 -0.261 0.000 3.017 255 H HA 0.851 5.409 4.556 0.004 0.000 0.346 255 H C -1.853 173.301 175.328 -0.291 0.000 1.286 255 H CA -1.429 54.480 56.048 -0.231 0.000 1.120 255 H CB 1.318 30.975 29.762 -0.175 0.000 1.860 255 H HN 0.482 nan 8.280 nan 0.000 0.542 256 A N 1.383 124.109 122.820 -0.156 0.000 2.547 256 A HA 0.504 4.827 4.320 0.004 0.000 0.297 256 A C -2.209 175.327 177.584 -0.080 0.000 1.056 256 A CA -0.806 51.077 52.037 -0.257 0.000 0.688 256 A CB 1.513 20.366 19.000 -0.244 0.000 1.282 256 A HN 0.447 nan 8.150 nan 0.000 0.400 257 Y N 2.345 122.585 120.300 -0.099 0.000 2.341 257 Y HA 0.494 5.046 4.550 0.004 0.000 0.340 257 Y C 0.950 176.678 175.900 -0.287 0.000 0.997 257 Y CA -0.983 57.023 58.100 -0.157 0.000 1.149 257 Y CB 1.034 39.514 38.460 0.033 0.000 1.171 257 Y HN 0.563 nan 8.280 nan 0.000 0.494 258 L N 1.094 122.173 121.223 -0.240 0.000 2.467 258 L HA 0.282 4.624 4.340 0.004 0.000 0.213 258 L C 0.347 177.072 176.870 -0.243 0.000 1.053 258 L CA 0.335 55.039 54.840 -0.225 0.000 0.847 258 L CB 0.602 42.549 42.059 -0.186 0.000 1.075 258 L HN 0.515 nan 8.230 nan 0.000 0.479 259 Q N -0.729 118.849 119.800 -0.371 0.000 2.503 259 Q HA 0.488 4.831 4.340 0.004 0.000 0.268 259 Q C -1.034 174.797 176.000 -0.281 0.000 0.982 259 Q CA 0.126 55.788 55.803 -0.235 0.000 0.907 259 Q CB 2.440 31.094 28.738 -0.140 0.000 1.467 259 Q HN 0.151 nan 8.270 nan 0.000 0.394 260 G N 0.207 108.998 108.800 -0.016 0.000 2.384 260 G HA2 0.053 4.016 3.960 0.004 0.000 0.668 260 G HA3 0.053 4.016 3.960 0.004 0.000 0.668 260 G C -1.766 173.339 174.900 0.342 0.000 1.280 260 G CA -0.427 44.775 45.100 0.169 0.000 0.992 260 G HN 0.698 nan 8.290 nan 0.000 0.512 261 V N 0.338 120.430 119.914 0.296 0.000 2.495 261 V HA 0.896 5.018 4.120 0.004 0.000 0.298 261 V C 0.670 176.751 176.094 -0.021 0.000 1.031 261 V CA 0.258 62.656 62.300 0.162 0.000 0.871 261 V CB 0.998 32.881 31.823 0.100 0.000 0.988 261 V HN 2.264 nan 8.190 nan 0.000 0.432 262 A N 4.429 127.133 122.820 -0.193 0.000 2.587 262 A HA 0.878 5.201 4.320 0.004 0.000 0.293 262 A C -1.283 176.141 177.584 -0.267 0.000 1.087 262 A CA -0.668 51.103 52.037 -0.444 0.000 0.692 262 A CB 1.430 19.731 19.000 -1.165 0.000 1.291 262 A HN 0.733 nan 8.150 nan 0.000 0.407 263 L N 0.932 122.041 121.223 -0.191 0.000 2.350 263 L HA 0.560 4.903 4.340 0.004 0.000 0.275 263 L C 0.345 177.034 176.870 -0.302 0.000 1.099 263 L CA -0.171 54.533 54.840 -0.227 0.000 0.808 263 L CB 1.370 43.367 42.059 -0.103 0.000 1.149 263 L HN 0.866 nan 8.230 nan 0.000 0.442 264 E N 1.882 121.925 120.200 -0.263 0.000 2.234 264 E HA 0.524 4.876 4.350 0.004 0.000 0.266 264 E C -1.721 174.741 176.600 -0.229 0.000 0.877 264 E CA -0.657 55.588 56.400 -0.258 0.000 0.758 264 E CB 2.263 31.858 29.700 -0.174 0.000 1.170 264 E HN 0.284 nan 8.360 nan 0.000 0.415 265 V N 6.050 125.738 119.914 -0.377 0.000 2.409 265 V HA 0.558 4.680 4.120 0.004 0.000 0.291 265 V C 0.086 175.744 176.094 -0.727 0.000 1.020 265 V CA -0.492 61.473 62.300 -0.558 0.000 0.848 265 V CB 0.976 32.372 31.823 -0.713 0.000 0.990 265 V HN 0.760 nan 8.190 nan 0.000 0.430 266 M N 3.330 122.453 119.600 -0.796 0.000 2.880 266 M HA 0.933 5.416 4.480 0.004 0.000 0.269 266 M C -0.591 175.448 176.300 -0.435 0.000 1.248 266 M CA -0.809 54.157 55.300 -0.556 0.000 0.821 266 M CB 1.979 34.406 32.600 -0.289 0.000 1.650 266 M HN 0.536 nan 8.290 nan 0.000 0.479 267 A N 0.809 123.542 122.820 -0.146 0.000 2.346 267 A HA 0.364 4.686 4.320 0.004 0.000 0.252 267 A C 0.171 177.699 177.584 -0.094 0.000 1.089 267 A CA -0.074 51.928 52.037 -0.059 0.000 0.797 267 A CB -0.269 18.711 19.000 -0.033 0.000 1.047 267 A HN 1.005 nan 8.150 nan 0.000 0.494 268 N N -0.569 118.094 118.700 -0.063 0.000 2.331 268 N HA 0.010 4.753 4.740 0.004 0.000 0.180 268 N C -0.320 175.233 175.510 0.072 0.000 1.019 268 N CA 1.235 54.289 53.050 0.006 0.000 0.881 268 N CB 0.126 38.568 38.487 -0.074 0.000 0.972 268 N HN 0.429 nan 8.380 nan 0.000 0.435 269 S N 0.291 116.001 115.700 0.016 0.000 2.605 269 S HA 0.312 4.784 4.470 0.004 0.000 0.308 269 S C -1.190 173.422 174.600 0.020 0.000 1.113 269 S CA -0.980 57.253 58.200 0.054 0.000 1.049 269 S CB 1.521 64.745 63.200 0.039 0.000 1.001 269 S HN 0.262 nan 8.310 nan 0.000 0.480 270 D N 1.375 121.802 120.400 0.045 0.000 2.714 270 D HA 0.430 5.073 4.640 0.004 0.000 0.278 270 D C -1.201 175.143 176.300 0.074 0.000 1.102 270 D CA -0.811 53.200 54.000 0.017 0.000 1.108 270 D CB 0.560 41.322 40.800 -0.063 0.000 1.444 270 D HN 0.273 nan 8.370 nan 0.000 0.568 271 N N -0.929 117.826 118.700 0.091 0.000 2.346 271 N HA 0.521 5.264 4.740 0.004 0.000 0.289 271 N C -1.213 174.331 175.510 0.056 0.000 1.027 271 N CA -0.456 52.596 53.050 0.003 0.000 0.864 271 N CB 2.291 40.781 38.487 0.005 0.000 1.370 271 N HN 0.274 nan 8.380 nan 0.000 0.481 272 V N 2.860 122.701 119.914 -0.121 0.000 2.577 272 V HA 0.471 4.593 4.120 0.004 0.000 0.303 272 V C -0.346 175.616 176.094 -0.221 0.000 1.042 272 V CA -0.696 61.521 62.300 -0.139 0.000 0.872 272 V CB 2.046 33.822 31.823 -0.080 0.000 0.998 272 V HN 0.437 nan 8.190 nan 0.000 0.423 273 L N 4.810 125.899 121.223 -0.224 0.000 2.329 273 L HA 0.644 4.987 4.340 0.004 0.000 0.279 273 L C 0.260 177.018 176.870 -0.187 0.000 1.014 273 L CA -0.665 54.072 54.840 -0.171 0.000 0.814 273 L CB 1.880 43.874 42.059 -0.110 0.000 1.257 273 L HN 0.523 nan 8.230 nan 0.000 0.424 274 R N 1.395 121.799 120.500 -0.161 0.000 2.500 274 R HA 0.583 4.926 4.340 0.004 0.000 0.275 274 R C 0.197 176.400 176.300 -0.162 0.000 1.051 274 R CA -0.117 55.875 56.100 -0.180 0.000 1.088 274 R CB 1.378 31.584 30.300 -0.156 0.000 1.063 274 R HN 0.808 nan 8.270 nan 0.000 0.511 275 A N 1.094 123.808 122.820 -0.177 0.000 2.630 275 A HA 0.462 4.785 4.320 0.004 0.000 0.287 275 A C 0.136 177.597 177.584 -0.204 0.000 1.040 275 A CA 0.238 52.194 52.037 -0.136 0.000 0.971 275 A CB 0.684 19.695 19.000 0.019 0.000 1.241 275 A HN 0.888 nan 8.150 nan 0.000 0.558 276 G N -1.166 107.502 108.800 -0.219 0.000 2.361 276 G HA2 0.368 4.330 3.960 0.004 0.000 0.331 276 G HA3 0.368 4.330 3.960 0.004 0.000 0.331 276 G C -0.144 174.573 174.900 -0.305 0.000 1.324 276 G CA -0.460 44.499 45.100 -0.234 0.000 0.984 276 G HN 1.093 nan 8.290 nan 0.000 0.586 277 L N -0.767 120.224 121.223 -0.388 0.000 3.677 277 L HA -0.135 4.208 4.340 0.004 0.000 0.464 277 L C 0.323 176.882 176.870 -0.518 0.000 1.278 277 L CA 1.136 55.482 54.840 -0.823 0.000 0.806 277 L CB -1.841 39.596 42.059 -1.036 0.000 1.610 277 L HN 1.391 nan 8.230 nan 0.000 0.867 278 T N -1.365 113.106 114.554 -0.138 0.000 2.942 278 T HA 0.577 4.930 4.350 0.004 0.000 0.327 278 T C -2.006 172.744 174.700 0.085 0.000 1.360 278 T CA -0.479 61.642 62.100 0.035 0.000 1.055 278 T CB 2.104 70.942 68.868 -0.051 0.000 1.261 278 T HN 0.065 nan 8.240 nan 0.000 0.485 279 P HA 0.252 nan 4.420 nan 0.000 0.255 279 P C -0.028 177.314 177.300 0.070 0.000 1.248 279 P CA -0.063 63.090 63.100 0.089 0.000 0.807 279 P CB 0.288 32.042 31.700 0.089 0.000 1.150 280 K N 0.215 120.650 120.400 0.058 0.000 2.202 280 K HA 0.091 4.413 4.320 0.004 0.000 0.264 280 K C -0.016 176.633 176.600 0.082 0.000 1.010 280 K CA -0.693 55.637 56.287 0.071 0.000 0.940 280 K CB 0.178 32.709 32.500 0.050 0.000 0.983 280 K HN -0.063 nan 8.250 nan 0.000 0.475 281 Y N 2.499 122.800 120.300 0.002 0.000 2.717 281 Y HA 0.011 4.564 4.550 0.004 0.000 0.330 281 Y C -0.396 175.499 175.900 -0.008 0.000 1.217 281 Y CA 0.349 58.448 58.100 -0.001 0.000 1.506 281 Y CB 0.138 38.603 38.460 0.007 0.000 1.268 281 Y HN 0.322 nan 8.280 nan 0.000 0.561 282 I N 6.726 126.908 120.570 -0.647 0.000 2.389 282 I HA 0.132 4.304 4.170 0.004 0.000 0.288 282 I C -0.565 174.990 176.117 -0.936 0.000 0.999 282 I CA -0.900 60.008 61.300 -0.652 0.000 1.129 282 I CB 1.335 39.142 38.000 -0.322 0.000 1.288 282 I HN 0.556 nan 8.210 nan 0.000 0.444 283 D N 7.303 127.221 120.400 -0.804 0.000 2.383 283 D HA 0.152 4.794 4.640 0.004 0.000 0.245 283 D C 1.032 177.239 176.300 -0.154 0.000 1.263 283 D CA 0.226 54.011 54.000 -0.359 0.000 0.936 283 D CB 0.730 41.493 40.800 -0.062 0.000 1.053 283 D HN 0.453 nan 8.370 nan 0.000 0.507 284 I N 4.725 125.222 120.570 -0.121 0.000 2.202 284 I HA -0.161 4.012 4.170 0.004 0.000 0.242 284 I C -0.677 175.456 176.117 0.027 0.000 1.091 284 I CA 0.578 61.847 61.300 -0.052 0.000 1.368 284 I CB -1.004 36.957 38.000 -0.065 0.000 1.058 284 I HN 0.335 nan 8.210 nan 0.000 0.410 285 P HA -0.212 nan 4.420 nan 0.000 0.215 285 P C 1.475 178.825 177.300 0.083 0.000 1.153 285 P CA 1.468 64.605 63.100 0.063 0.000 0.853 285 P CB -0.005 31.729 31.700 0.056 0.000 0.788 286 E N -0.574 119.672 120.200 0.076 0.000 2.051 286 E HA -0.197 4.156 4.350 0.004 0.000 0.192 286 E C 1.901 178.567 176.600 0.110 0.000 0.991 286 E CA 0.810 57.269 56.400 0.099 0.000 0.799 286 E CB -0.631 29.135 29.700 0.111 0.000 0.748 286 E HN -0.033 nan 8.360 nan 0.000 0.449 287 L N 0.753 122.029 121.223 0.089 0.000 1.990 287 L HA -0.195 4.147 4.340 0.004 0.000 0.213 287 L C 2.358 179.343 176.870 0.192 0.000 1.072 287 L CA 1.665 56.574 54.840 0.115 0.000 0.755 287 L CB -0.725 41.393 42.059 0.098 0.000 0.889 287 L HN 0.090 nan 8.230 nan 0.000 0.432 288 V N 0.197 120.259 119.914 0.247 0.000 2.392 288 V HA -0.291 3.832 4.120 0.004 0.000 0.249 288 V C 2.714 178.976 176.094 0.280 0.000 1.059 288 V CA 1.606 64.122 62.300 0.361 0.000 1.051 288 V CB -1.351 30.649 31.823 0.295 0.000 0.658 288 V HN 0.647 nan 8.190 nan 0.000 0.455 289 A N -0.459 122.468 122.820 0.178 0.000 2.172 289 A HA -0.099 4.224 4.320 0.004 0.000 0.216 289 A C 1.699 179.352 177.584 0.116 0.000 1.154 289 A CA 1.272 53.392 52.037 0.138 0.000 0.701 289 A CB -0.361 18.704 19.000 0.107 0.000 0.789 289 A HN 0.612 nan 8.150 nan 0.000 0.465 290 N N -0.506 118.259 118.700 0.108 0.000 2.235 290 N HA 0.202 4.944 4.740 0.004 0.000 0.231 290 N C -0.926 174.576 175.510 -0.013 0.000 1.177 290 N CA 0.221 53.310 53.050 0.065 0.000 0.874 290 N CB 1.391 39.934 38.487 0.094 0.000 1.097 290 N HN 0.152 nan 8.380 nan 0.000 0.518 291 V N 0.789 120.664 119.914 -0.066 0.000 2.555 291 V HA 0.208 4.330 4.120 0.004 0.000 0.302 291 V C 0.112 175.956 176.094 -0.416 0.000 1.038 291 V CA -0.779 61.318 62.300 -0.338 0.000 0.887 291 V CB 2.441 33.861 31.823 -0.673 0.000 0.991 291 V HN -0.181 nan 8.190 nan 0.000 0.434 292 K N 4.450 124.634 120.400 -0.360 0.000 2.264 292 K HA 0.447 4.769 4.320 0.004 0.000 0.277 292 K C -0.733 175.688 176.600 -0.299 0.000 1.067 292 K CA -0.379 55.782 56.287 -0.210 0.000 0.900 292 K CB 0.235 32.674 32.500 -0.103 0.000 1.124 292 K HN 0.486 nan 8.250 nan 0.000 0.469 293 F N 2.427 122.327 119.950 -0.084 0.000 2.640 293 F HA 0.242 4.772 4.527 0.004 0.000 0.354 293 F C 0.567 176.260 175.800 -0.178 0.000 1.213 293 F CA -0.290 57.531 58.000 -0.298 0.000 1.314 293 F CB 0.491 39.283 39.000 -0.347 0.000 1.679 293 F HN 0.420 nan 8.300 nan 0.000 0.622 294 E N 0.817 121.000 120.200 -0.028 0.000 2.256 294 E HA 0.353 4.705 4.350 0.004 0.000 0.268 294 E C -2.461 174.076 176.600 -0.103 0.000 0.877 294 E CA -2.119 54.245 56.400 -0.061 0.000 0.757 294 E CB 2.230 31.909 29.700 -0.035 0.000 1.183 294 E HN 0.101 nan 8.360 nan 0.000 0.418 295 P HA 0.309 nan 4.420 nan 0.000 0.272 295 P C -0.748 176.476 177.300 -0.126 0.000 1.223 295 P CA -0.513 62.454 63.100 -0.221 0.000 0.784 295 P CB 0.674 32.115 31.700 -0.431 0.000 0.923 296 K N 3.023 123.377 120.400 -0.077 0.000 2.450 296 K HA 0.494 4.816 4.320 0.004 0.000 0.257 296 K C -2.696 173.874 176.600 -0.050 0.000 0.953 296 K CA -2.714 53.529 56.287 -0.072 0.000 0.844 296 K CB 0.518 32.980 32.500 -0.062 0.000 1.103 296 K HN 0.165 nan 8.250 nan 0.000 0.429 297 P HA -0.001 nan 4.420 nan 0.000 0.266 297 P C -0.051 177.245 177.300 -0.007 0.000 1.195 297 P CA 0.083 63.168 63.100 -0.025 0.000 0.768 297 P CB 1.060 32.747 31.700 -0.021 0.000 0.838 298 A N 4.181 127.001 122.820 0.001 0.000 1.917 298 A HA -0.160 4.162 4.320 0.004 0.000 0.219 298 A C 2.255 179.851 177.584 0.020 0.000 1.182 298 A CA 2.237 54.281 52.037 0.011 0.000 0.633 298 A CB -1.800 17.208 19.000 0.013 0.000 0.819 298 A HN 0.646 nan 8.150 nan 0.000 0.448 299 G N -1.147 107.664 108.800 0.017 0.000 2.586 299 G HA2 -0.064 3.899 3.960 0.004 0.000 0.215 299 G HA3 -0.064 3.899 3.960 0.004 0.000 0.215 299 G C 1.116 176.033 174.900 0.029 0.000 1.128 299 G CA 0.859 45.972 45.100 0.022 0.000 0.774 299 G HN 0.691 nan 8.290 nan 0.000 0.543 300 E N -0.712 119.505 120.200 0.028 0.000 2.498 300 E HA 0.262 4.614 4.350 0.004 0.000 0.203 300 E C 1.982 178.625 176.600 0.072 0.000 1.013 300 E CA -0.376 56.049 56.400 0.042 0.000 0.927 300 E CB 0.316 30.025 29.700 0.015 0.000 1.012 300 E HN 0.336 nan 8.360 nan 0.000 0.482 301 L N 0.543 121.805 121.223 0.065 0.000 2.072 301 L HA 0.012 4.355 4.340 0.004 0.000 0.205 301 L C 0.957 177.888 176.870 0.102 0.000 1.079 301 L CA 0.728 55.618 54.840 0.083 0.000 0.752 301 L CB -0.110 41.985 42.059 0.059 0.000 0.906 301 L HN 0.111 nan 8.230 nan 0.000 0.436 302 L N 0.041 121.318 121.223 0.091 0.000 2.371 302 L HA 0.175 4.517 4.340 0.004 0.000 0.272 302 L C 0.153 177.098 176.870 0.125 0.000 1.124 302 L CA -0.467 54.436 54.840 0.104 0.000 0.816 302 L CB 0.848 42.963 42.059 0.094 0.000 1.129 302 L HN 0.051 nan 8.230 nan 0.000 0.448 303 T N 1.235 115.883 114.554 0.157 0.000 2.884 303 T HA 0.406 4.759 4.350 0.004 0.000 0.298 303 T C 0.258 175.053 174.700 0.158 0.000 0.998 303 T CA -0.673 61.530 62.100 0.172 0.000 1.124 303 T CB 1.252 70.252 68.868 0.221 0.000 0.931 303 T HN 0.670 nan 8.240 nan 0.000 0.531 304 A N 5.679 128.548 122.820 0.082 0.000 2.302 304 A HA 0.582 4.905 4.320 0.004 0.000 0.295 304 A C -1.741 175.788 177.584 -0.092 0.000 1.235 304 A CA -1.430 50.612 52.037 0.008 0.000 0.876 304 A CB -0.210 18.794 19.000 0.007 0.000 1.133 304 A HN 0.621 nan 8.150 nan 0.000 0.533 305 P HA 0.481 nan 4.420 nan 0.000 0.277 305 P C -0.813 176.312 177.300 -0.292 0.000 1.271 305 P CA -0.387 62.395 63.100 -0.530 0.000 0.795 305 P CB 1.048 32.064 31.700 -1.139 0.000 1.101 306 V N 0.193 119.940 119.914 -0.278 0.000 2.525 306 V HA 0.330 4.453 4.120 0.004 0.000 0.299 306 V C 0.015 176.012 176.094 -0.161 0.000 1.034 306 V CA -0.691 61.511 62.300 -0.162 0.000 0.863 306 V CB 1.499 33.258 31.823 -0.106 0.000 0.999 306 V HN 0.483 nan 8.190 nan 0.000 0.423 307 K N 2.661 122.988 120.400 -0.122 0.000 2.183 307 K HA 0.661 4.984 4.320 0.004 0.000 0.274 307 K C -0.404 176.149 176.600 -0.079 0.000 1.009 307 K CA 0.108 56.331 56.287 -0.106 0.000 0.888 307 K CB 1.541 33.992 32.500 -0.082 0.000 1.078 307 K HN 0.709 nan 8.250 nan 0.000 0.459 308 S N 3.514 119.165 115.700 -0.081 0.000 2.789 308 S HA 0.580 5.053 4.470 0.004 0.000 0.286 308 S C 0.218 174.785 174.600 -0.055 0.000 1.153 308 S CA 0.190 58.355 58.200 -0.059 0.000 1.084 308 S CB -0.009 63.160 63.200 -0.053 0.000 1.036 308 S HN 1.034 nan 8.310 nan 0.000 0.484 309 G N 4.275 113.050 108.800 -0.041 0.000 2.622 309 G HA2 -0.282 3.680 3.960 0.004 0.000 0.307 309 G HA3 -0.282 3.680 3.960 0.004 0.000 0.307 309 G C 1.011 175.886 174.900 -0.040 0.000 1.226 309 G CA 0.339 45.419 45.100 -0.034 0.000 0.997 309 G HN 1.783 nan 8.290 nan 0.000 0.551 310 A N 0.469 123.268 122.820 -0.036 0.000 2.251 310 A HA 0.518 4.841 4.320 0.004 0.000 0.209 310 A C 0.981 178.511 177.584 -0.091 0.000 1.187 310 A CA 1.595 53.611 52.037 -0.035 0.000 0.823 310 A CB -0.101 18.899 19.000 -0.001 0.000 0.846 310 A HN 0.721 nan 8.150 nan 0.000 0.486 311 E N 0.083 120.199 120.200 -0.140 0.000 2.175 311 E HA 0.475 4.827 4.350 0.004 0.000 0.278 311 E C -1.557 174.890 176.600 -0.254 0.000 0.969 311 E CA -0.686 55.528 56.400 -0.311 0.000 0.796 311 E CB 0.915 30.460 29.700 -0.259 0.000 1.104 311 E HN 0.168 nan 8.360 nan 0.000 0.395 312 L N 5.020 126.064 121.223 -0.299 0.000 2.295 312 L HA 0.360 4.702 4.340 0.004 0.000 0.281 312 L C -1.032 175.703 176.870 -0.225 0.000 1.018 312 L CA -0.386 54.321 54.840 -0.222 0.000 0.841 312 L CB 1.239 43.222 42.059 -0.127 0.000 1.218 312 L HN 0.523 nan 8.230 nan 0.000 0.424 313 D N 3.424 123.698 120.400 -0.209 0.000 2.210 313 D HA 0.288 4.930 4.640 0.004 0.000 0.249 313 D C -1.105 175.101 176.300 -0.156 0.000 1.062 313 D CA 0.201 54.146 54.000 -0.091 0.000 0.891 313 D CB 0.711 41.486 40.800 -0.042 0.000 1.186 313 D HN 0.339 nan 8.370 nan 0.000 0.432 314 F N 4.090 124.071 119.950 0.052 0.000 2.310 314 F HA 0.314 4.843 4.527 0.004 0.000 0.365 314 F C -1.749 174.094 175.800 0.071 0.000 1.080 314 F CA -1.982 56.086 58.000 0.114 0.000 1.187 314 F CB 1.285 40.441 39.000 0.260 0.000 1.465 314 F HN 0.131 nan 8.300 nan 0.000 0.496 315 P HA 0.113 nan 4.420 nan 0.000 0.267 315 P C -0.322 177.012 177.300 0.056 0.000 1.205 315 P CA 0.380 63.517 63.100 0.060 0.000 0.765 315 P CB 1.011 32.723 31.700 0.020 0.000 0.828 316 I N 5.755 126.327 120.570 0.004 0.000 2.436 316 I HA 0.238 4.410 4.170 0.004 0.000 0.289 316 I C -1.817 174.239 176.117 -0.103 0.000 1.010 316 I CA -2.431 58.836 61.300 -0.056 0.000 1.098 316 I CB 2.506 40.455 38.000 -0.085 0.000 1.266 316 I HN 0.146 nan 8.210 nan 0.000 0.434 317 P HA 0.197 nan 4.420 nan 0.000 0.218 317 P C -0.582 176.650 177.300 -0.113 0.000 1.793 317 P CA 0.029 63.090 63.100 -0.066 0.000 0.941 317 P CB 0.472 32.173 31.700 0.001 0.000 1.919 318 V N 0.674 120.476 119.914 -0.187 0.000 3.077 318 V HA 0.162 4.284 4.120 0.004 0.000 0.299 318 V C 0.142 176.088 176.094 -0.247 0.000 1.276 318 V CA -0.483 61.673 62.300 -0.240 0.000 0.993 318 V CB 2.524 34.105 31.823 -0.403 0.000 1.076 318 V HN -0.138 nan 8.190 nan 0.000 0.434 319 D N 1.761 122.082 120.400 -0.133 0.000 2.224 319 D HA -0.042 4.601 4.640 0.004 0.000 0.205 319 D C 1.215 177.480 176.300 -0.058 0.000 0.965 319 D CA 1.433 55.418 54.000 -0.024 0.000 0.852 319 D CB 0.223 41.099 40.800 0.127 0.000 0.947 319 D HN 0.744 nan 8.370 nan 0.000 0.494 320 D N -0.590 119.648 120.400 -0.270 0.000 2.117 320 D HA -0.020 4.623 4.640 0.004 0.000 0.197 320 D C 0.424 176.570 176.300 -0.257 0.000 0.987 320 D CA 0.912 54.621 54.000 -0.484 0.000 0.829 320 D CB 0.096 40.575 40.800 -0.534 0.000 0.961 320 D HN 0.355 nan 8.370 nan 0.000 0.460 321 F N -2.388 117.461 119.950 -0.168 0.000 2.686 321 F HA 0.779 5.308 4.527 0.004 0.000 0.311 321 F C -1.238 174.393 175.800 -0.282 0.000 1.128 321 F CA -1.717 56.165 58.000 -0.196 0.000 0.946 321 F CB 1.208 40.116 39.000 -0.153 0.000 1.336 321 F HN -0.179 nan 8.300 nan 0.000 0.457 322 A N 1.321 124.039 122.820 -0.169 0.000 2.527 322 A HA 0.879 5.201 4.320 0.004 0.000 0.293 322 A C -2.394 175.150 177.584 -0.067 0.000 1.117 322 A CA -0.752 51.145 52.037 -0.234 0.000 0.723 322 A CB 1.897 20.486 19.000 -0.686 0.000 1.313 322 A HN 1.150 nan 8.150 nan 0.000 0.411 323 F N 1.314 121.220 119.950 -0.074 0.000 2.588 323 F HA 0.636 5.165 4.527 0.004 0.000 0.318 323 F C -0.210 175.639 175.800 0.082 0.000 1.155 323 F CA 0.004 57.949 58.000 -0.092 0.000 0.967 323 F CB 2.031 40.900 39.000 -0.219 0.000 1.236 323 F HN 0.863 nan 8.300 nan 0.000 0.455 324 S N 6.440 121.783 115.700 -0.595 0.000 2.595 324 S HA 0.812 5.285 4.470 0.004 0.000 0.281 324 S C -2.080 172.113 174.600 -0.678 0.000 1.117 324 S CA -0.941 56.982 58.200 -0.461 0.000 0.873 324 S CB 2.178 65.246 63.200 -0.221 0.000 1.108 324 S HN 0.620 nan 8.310 nan 0.000 0.477 325 L N 2.042 122.970 121.223 -0.492 0.000 2.346 325 L HA 0.551 4.894 4.340 0.004 0.000 0.274 325 L C -1.185 175.452 176.870 -0.390 0.000 1.007 325 L CA -0.307 54.347 54.840 -0.310 0.000 0.818 325 L CB 1.502 43.501 42.059 -0.099 0.000 1.284 325 L HN 0.921 nan 8.230 nan 0.000 0.424 326 H N 1.035 120.043 119.070 -0.103 0.000 2.727 326 H HA 0.309 4.867 4.556 0.004 0.000 0.330 326 H C -0.847 174.455 175.328 -0.043 0.000 0.986 326 H CA -0.712 55.287 56.048 -0.082 0.000 1.251 326 H CB 1.339 31.034 29.762 -0.111 0.000 1.493 326 H HN 0.368 nan 8.280 nan 0.000 0.515 327 D N 3.736 124.161 120.400 0.041 0.000 2.348 327 D HA 0.099 4.741 4.640 0.004 0.000 0.253 327 D C 0.205 176.525 176.300 0.034 0.000 1.161 327 D CA -0.077 53.944 54.000 0.035 0.000 0.876 327 D CB 1.231 42.041 40.800 0.017 0.000 1.160 327 D HN 0.367 nan 8.370 nan 0.000 0.459 328 L N 1.475 122.713 121.223 0.026 0.000 2.350 328 L HA 0.567 4.909 4.340 0.004 0.000 0.275 328 L C 0.623 177.496 176.870 0.005 0.000 1.099 328 L CA -0.484 54.362 54.840 0.011 0.000 0.808 328 L CB 1.163 43.222 42.059 0.001 0.000 1.149 328 L HN 0.367 nan 8.230 nan 0.000 0.442 329 A N 2.325 125.144 122.820 -0.002 0.000 2.435 329 A HA 0.621 4.943 4.320 0.004 0.000 0.296 329 A C 0.493 178.072 177.584 -0.008 0.000 1.147 329 A CA -0.656 51.379 52.037 -0.003 0.000 0.775 329 A CB 1.186 20.184 19.000 -0.003 0.000 1.340 329 A HN 0.755 nan 8.150 nan 0.000 0.427 330 L N -0.170 121.049 121.223 -0.007 0.000 2.217 330 L HA -0.049 4.293 4.340 0.004 0.000 0.211 330 L C 1.077 177.940 176.870 -0.011 0.000 1.107 330 L CA 0.649 55.483 54.840 -0.009 0.000 0.783 330 L CB -0.383 41.672 42.059 -0.007 0.000 0.919 330 L HN 0.724 nan 8.230 nan 0.000 0.442 331 Q N 0.573 120.367 119.800 -0.011 0.000 2.286 331 Q HA 0.135 4.478 4.340 0.004 0.000 0.257 331 Q C -0.039 175.951 176.000 -0.017 0.000 0.941 331 Q CA -0.264 55.531 55.803 -0.013 0.000 0.912 331 Q CB 1.001 29.732 28.738 -0.011 0.000 1.192 331 Q HN 0.296 nan 8.270 nan 0.000 0.410 332 E N 1.219 121.407 120.200 -0.021 0.000 2.413 332 E HA 0.161 4.514 4.350 0.004 0.000 0.263 332 E C 0.179 176.762 176.600 -0.028 0.000 1.015 332 E CA 0.267 56.651 56.400 -0.027 0.000 0.916 332 E CB 0.594 30.276 29.700 -0.030 0.000 0.947 332 E HN 0.737 nan 8.360 nan 0.000 0.440 333 T N -0.846 113.687 114.554 -0.035 0.000 2.908 333 T HA 0.354 4.707 4.350 0.004 0.000 0.290 333 T C -0.168 174.497 174.700 -0.059 0.000 1.034 333 T CA -1.012 61.066 62.100 -0.036 0.000 1.010 333 T CB 1.813 70.668 68.868 -0.021 0.000 1.068 333 T HN 0.225 nan 8.240 nan 0.000 0.481 334 S N 1.328 116.992 115.700 -0.061 0.000 2.489 334 S HA 0.557 5.030 4.470 0.004 0.000 0.277 334 S C -0.374 174.154 174.600 -0.120 0.000 1.230 334 S CA -0.886 57.263 58.200 -0.085 0.000 1.053 334 S CB -0.536 62.621 63.200 -0.072 0.000 0.955 334 S HN 0.599 nan 8.310 nan 0.000 0.488 335 I N 4.667 125.133 120.570 -0.173 0.000 2.382 335 I HA 0.511 4.683 4.170 0.004 0.000 0.285 335 I C 0.632 176.599 176.117 -0.251 0.000 1.007 335 I CA -0.492 60.650 61.300 -0.263 0.000 1.142 335 I CB 1.525 39.280 38.000 -0.408 0.000 1.289 335 I HN 0.725 nan 8.210 nan 0.000 0.453 336 G N 5.938 114.587 108.800 -0.252 0.000 2.563 336 G HA2 0.784 4.746 3.960 0.004 0.000 0.302 336 G HA3 0.784 4.746 3.960 0.004 0.000 0.302 336 G C -1.514 173.198 174.900 -0.313 0.000 1.301 336 G CA -0.295 44.658 45.100 -0.245 0.000 0.965 336 G HN 0.442 nan 8.290 nan 0.000 0.480 337 Q N -0.187 119.437 119.800 -0.293 0.000 2.575 337 Q HA 0.245 4.587 4.340 0.004 0.000 0.290 337 Q C -0.998 174.875 176.000 -0.212 0.000 0.963 337 Q CA -0.849 54.797 55.803 -0.262 0.000 0.783 337 Q CB 1.315 29.948 28.738 -0.174 0.000 1.467 337 Q HN 0.716 nan 8.270 nan 0.000 0.402 338 H N -0.017 119.109 119.070 0.093 0.000 2.533 338 H HA 0.240 4.799 4.556 0.004 0.000 0.271 338 H C 0.373 175.756 175.328 0.092 0.000 1.000 338 H CA 0.747 56.841 56.048 0.078 0.000 1.149 338 H CB 0.640 30.450 29.762 0.079 0.000 1.375 338 H HN 0.675 nan 8.280 nan 0.000 0.582 339 S N -0.356 115.459 115.700 0.191 0.000 2.704 339 S HA 0.729 5.202 4.470 0.004 0.000 0.296 339 S C -0.073 174.594 174.600 0.110 0.000 1.138 339 S CA -0.775 57.536 58.200 0.186 0.000 0.875 339 S CB 1.660 65.016 63.200 0.260 0.000 1.151 339 S HN 0.201 nan 8.310 nan 0.000 0.500 340 A N 0.318 123.206 122.820 0.115 0.000 2.555 340 A HA 0.584 4.907 4.320 0.004 0.000 0.233 340 A C 0.487 178.115 177.584 0.073 0.000 1.060 340 A CA 0.277 52.307 52.037 -0.011 0.000 0.759 340 A CB -0.862 18.235 19.000 0.161 0.000 0.995 340 A HN 1.822 nan 8.150 nan 0.000 0.506 341 A N 1.703 124.413 122.820 -0.183 0.000 2.435 341 A HA 0.724 5.046 4.320 0.004 0.000 0.304 341 A C -0.635 176.900 177.584 -0.082 0.000 1.064 341 A CA -0.500 51.498 52.037 -0.064 0.000 0.727 341 A CB 1.016 19.925 19.000 -0.151 0.000 1.284 341 A HN 0.756 nan 8.150 nan 0.000 0.415 342 I N 2.005 122.606 120.570 0.052 0.000 2.406 342 I HA 0.362 4.534 4.170 0.004 0.000 0.290 342 I C -0.923 175.255 176.117 0.101 0.000 0.999 342 I CA -0.366 61.033 61.300 0.166 0.000 1.124 342 I CB 1.600 39.832 38.000 0.386 0.000 1.289 342 I HN 0.471 nan 8.210 nan 0.000 0.441 343 L N 6.497 127.791 121.223 0.119 0.000 2.322 343 L HA 0.522 4.865 4.340 0.004 0.000 0.281 343 L C -0.982 176.028 176.870 0.234 0.000 1.014 343 L CA -0.594 54.305 54.840 0.097 0.000 0.815 343 L CB 1.683 43.726 42.059 -0.027 0.000 1.247 343 L HN 0.459 nan 8.230 nan 0.000 0.421 344 F N 3.566 123.575 119.950 0.098 0.000 2.539 344 F HA 0.402 4.931 4.527 0.004 0.000 0.318 344 F C -0.211 175.597 175.800 0.012 0.000 1.135 344 F CA -0.895 57.144 58.000 0.065 0.000 0.915 344 F CB 1.230 40.314 39.000 0.139 0.000 1.176 344 F HN 0.476 nan 8.300 nan 0.000 0.440 345 C N 7.671 126.606 119.300 -0.609 0.000 2.540 345 C HA 0.340 4.803 4.460 0.004 0.000 0.377 345 C C 1.376 175.930 174.990 -0.726 0.000 1.274 345 C CA -0.238 58.486 59.018 -0.489 0.000 1.718 345 C CB -0.869 26.665 27.740 -0.343 0.000 2.391 345 C HN 0.854 nan 8.230 nan 0.000 0.565 346 V N 5.284 125.058 119.914 -0.233 0.000 2.407 346 V HA 0.042 4.165 4.120 0.004 0.000 0.245 346 V C 0.964 177.113 176.094 0.093 0.000 1.041 346 V CA 1.836 64.163 62.300 0.046 0.000 1.040 346 V CB -0.619 31.363 31.823 0.265 0.000 0.671 346 V HN 0.961 nan 8.190 nan 0.000 0.455 347 E N -2.269 117.958 120.200 0.044 0.000 2.401 347 E HA 0.502 4.855 4.350 0.004 0.000 0.280 347 E C 0.082 176.695 176.600 0.022 0.000 1.039 347 E CA -0.223 56.213 56.400 0.060 0.000 0.814 347 E CB 1.476 31.230 29.700 0.090 0.000 1.275 347 E HN 0.344 nan 8.360 nan 0.000 0.448 348 G N 1.163 109.975 108.800 0.020 0.000 2.509 348 G HA2 -0.252 3.710 3.960 0.004 0.000 0.256 348 G HA3 -0.252 3.710 3.960 0.004 0.000 0.256 348 G C -0.553 174.340 174.900 -0.012 0.000 1.152 348 G CA 0.372 45.476 45.100 0.006 0.000 0.951 348 G HN 0.908 nan 8.290 nan 0.000 0.559 349 E N -0.558 119.630 120.200 -0.020 0.000 2.347 349 E HA 0.580 4.933 4.350 0.004 0.000 0.285 349 E C -0.521 176.058 176.600 -0.036 0.000 0.925 349 E CA -0.234 56.147 56.400 -0.033 0.000 0.779 349 E CB 1.383 31.069 29.700 -0.023 0.000 1.233 349 E HN 1.526 nan 8.360 nan 0.000 0.414 350 A N 3.066 125.856 122.820 -0.050 0.000 2.330 350 A HA 0.645 4.968 4.320 0.004 0.000 0.327 350 A C -0.972 176.585 177.584 -0.044 0.000 1.155 350 A CA -0.572 51.436 52.037 -0.049 0.000 0.803 350 A CB 1.385 20.347 19.000 -0.064 0.000 1.208 350 A HN 0.293 nan 8.150 nan 0.000 0.477 351 V N 4.106 123.997 119.914 -0.039 0.000 2.357 351 V HA 0.342 4.465 4.120 0.004 0.000 0.284 351 V C -0.226 175.843 176.094 -0.042 0.000 1.018 351 V CA -0.209 62.070 62.300 -0.036 0.000 0.841 351 V CB 0.919 32.725 31.823 -0.028 0.000 0.991 351 V HN 0.756 nan 8.190 nan 0.000 0.437 352 L N 5.337 126.534 121.223 -0.043 0.000 2.325 352 L HA 0.711 5.053 4.340 0.004 0.000 0.279 352 L C 0.094 176.939 176.870 -0.040 0.000 1.054 352 L CA -0.500 54.309 54.840 -0.050 0.000 0.804 352 L CB 1.391 43.418 42.059 -0.053 0.000 1.200 352 L HN 0.575 nan 8.230 nan 0.000 0.436 353 R N 2.370 122.843 120.500 -0.044 0.000 2.574 353 R HA 0.474 4.816 4.340 0.004 0.000 0.288 353 R C -1.403 174.874 176.300 -0.038 0.000 1.004 353 R CA -0.875 55.204 56.100 -0.035 0.000 0.895 353 R CB 1.867 32.148 30.300 -0.032 0.000 1.191 353 R HN 0.447 nan 8.270 nan 0.000 0.444 354 K N 4.116 124.498 120.400 -0.030 0.000 2.604 354 K HA 0.273 4.595 4.320 0.004 0.000 0.247 354 K C -0.689 175.899 176.600 -0.020 0.000 0.956 354 K CA -0.280 55.990 56.287 -0.029 0.000 0.896 354 K CB 0.623 33.107 32.500 -0.027 0.000 1.131 354 K HN 0.741 nan 8.250 nan 0.000 0.440 355 D N 2.196 122.583 120.400 -0.020 0.000 3.996 355 D HA -0.328 4.315 4.640 0.004 0.000 0.140 355 D C 0.756 177.048 176.300 -0.013 0.000 0.829 355 D CA 2.282 56.273 54.000 -0.015 0.000 1.111 355 D CB -0.707 40.086 40.800 -0.011 0.000 0.516 355 D HN 0.589 nan 8.370 nan 0.000 0.517 356 E N 1.431 121.625 120.200 -0.010 0.000 2.472 356 E HA 0.082 4.434 4.350 0.004 0.000 0.196 356 E C 1.050 177.646 176.600 -0.008 0.000 1.033 356 E CA 0.881 57.276 56.400 -0.009 0.000 0.886 356 E CB -0.070 29.626 29.700 -0.006 0.000 0.944 356 E HN 0.389 nan 8.360 nan 0.000 0.492 357 Q N 0.487 120.282 119.800 -0.008 0.000 2.286 357 Q HA 0.349 4.691 4.340 0.004 0.000 0.257 357 Q C -0.623 175.370 176.000 -0.011 0.000 0.941 357 Q CA -0.325 55.474 55.803 -0.007 0.000 0.912 357 Q CB 0.614 29.350 28.738 -0.004 0.000 1.192 357 Q HN 0.301 nan 8.270 nan 0.000 0.410 358 R N 2.949 123.443 120.500 -0.010 0.000 2.670 358 R HA 0.592 4.935 4.340 0.004 0.000 0.289 358 R C -1.438 174.855 176.300 -0.012 0.000 0.965 358 R CA -0.923 55.168 56.100 -0.014 0.000 0.899 358 R CB 1.518 31.810 30.300 -0.014 0.000 1.173 358 R HN 0.474 nan 8.270 nan 0.000 0.456 359 L N 2.507 123.721 121.223 -0.016 0.000 2.439 359 L HA 0.413 4.756 4.340 0.004 0.000 0.270 359 L C -1.413 175.444 176.870 -0.021 0.000 0.972 359 L CA -0.625 54.206 54.840 -0.014 0.000 0.836 359 L CB 2.222 44.276 42.059 -0.009 0.000 1.255 359 L HN 0.331 nan 8.230 nan 0.000 0.404 360 V N 6.005 125.907 119.914 -0.021 0.000 2.439 360 V HA 0.481 4.604 4.120 0.004 0.000 0.282 360 V C -0.058 176.014 176.094 -0.035 0.000 1.039 360 V CA -0.475 61.808 62.300 -0.028 0.000 0.913 360 V CB 1.488 33.297 31.823 -0.023 0.000 0.983 360 V HN 0.590 nan 8.190 nan 0.000 0.460 361 L N 5.403 126.596 121.223 -0.051 0.000 2.325 361 L HA 0.541 4.883 4.340 0.004 0.000 0.281 361 L C 0.149 176.966 176.870 -0.089 0.000 1.004 361 L CA -0.600 54.195 54.840 -0.075 0.000 0.823 361 L CB 1.577 43.580 42.059 -0.094 0.000 1.236 361 L HN 0.589 nan 8.230 nan 0.000 0.415 362 K N 3.039 123.386 120.400 -0.088 0.000 2.098 362 K HA 0.401 4.723 4.320 0.004 0.000 0.244 362 K C -2.402 174.112 176.600 -0.144 0.000 1.014 362 K CA -1.773 54.467 56.287 -0.079 0.000 0.917 362 K CB 0.442 32.918 32.500 -0.040 0.000 1.072 362 K HN 0.213 nan 8.250 nan 0.000 0.477 363 P HA -0.099 nan 4.420 nan 0.000 0.262 363 P C 0.445 177.560 177.300 -0.307 0.000 1.182 363 P CA 1.163 64.183 63.100 -0.135 0.000 0.761 363 P CB 0.335 32.110 31.700 0.125 0.000 0.795 364 G N 1.825 110.018 108.800 -1.013 0.000 2.213 364 G HA2 -0.206 3.757 3.960 0.004 0.000 0.236 364 G HA3 -0.206 3.757 3.960 0.004 0.000 0.236 364 G C 0.040 174.581 174.900 -0.599 0.000 0.991 364 G CA -0.318 43.970 45.100 -1.354 0.000 0.629 364 G HN 0.543 nan 8.290 nan 0.000 0.517 365 E N 0.668 120.588 120.200 -0.467 0.000 2.283 365 E HA 0.623 4.975 4.350 0.004 0.000 0.267 365 E C 0.180 176.698 176.600 -0.137 0.000 1.045 365 E CA 0.176 56.454 56.400 -0.203 0.000 0.884 365 E CB 1.505 31.126 29.700 -0.132 0.000 1.106 365 E HN 0.554 nan 8.360 nan 0.000 0.408 366 S N -0.366 115.349 115.700 0.024 0.000 2.618 366 S HA 0.838 5.311 4.470 0.004 0.000 0.277 366 S C -1.105 173.561 174.600 0.109 0.000 1.138 366 S CA -1.028 57.245 58.200 0.122 0.000 0.844 366 S CB 1.892 65.253 63.200 0.268 0.000 1.127 366 S HN 0.600 nan 8.310 nan 0.000 0.474 367 A N 0.771 123.670 122.820 0.131 0.000 2.475 367 A HA 0.806 5.128 4.320 0.004 0.000 0.301 367 A C -1.506 176.196 177.584 0.196 0.000 1.059 367 A CA -0.697 51.420 52.037 0.133 0.000 0.710 367 A CB 1.183 20.221 19.000 0.064 0.000 1.288 367 A HN 1.066 nan 8.150 nan 0.000 0.408 368 F N 2.937 122.930 119.950 0.071 0.000 2.420 368 F HA 0.683 5.212 4.527 0.004 0.000 0.342 368 F C -0.786 175.047 175.800 0.055 0.000 1.113 368 F CA -0.984 57.066 58.000 0.083 0.000 1.059 368 F CB 0.976 40.027 39.000 0.084 0.000 1.128 368 F HN 0.322 nan 8.300 nan 0.000 0.475 369 I N 6.050 126.237 120.570 -0.638 0.000 2.382 369 I HA 0.300 4.472 4.170 0.004 0.000 0.285 369 I C 0.692 176.374 176.117 -0.724 0.000 1.007 369 I CA -0.655 60.374 61.300 -0.452 0.000 1.142 369 I CB 0.542 38.379 38.000 -0.272 0.000 1.289 369 I HN 0.710 nan 8.210 nan 0.000 0.453 370 G N 3.740 112.318 108.800 -0.371 0.000 2.614 370 G HA2 0.310 4.272 3.960 0.004 0.000 0.239 370 G HA3 0.310 4.272 3.960 0.004 0.000 0.239 370 G C 1.008 175.854 174.900 -0.090 0.000 1.240 370 G CA 0.212 45.233 45.100 -0.133 0.000 0.842 370 G HN 0.779 nan 8.290 nan 0.000 0.584 371 A N 0.848 123.662 122.820 -0.010 0.000 1.917 371 A HA -0.110 4.213 4.320 0.004 0.000 0.219 371 A C 1.920 179.513 177.584 0.016 0.000 1.182 371 A CA 2.101 54.148 52.037 0.017 0.000 0.633 371 A CB -0.300 18.744 19.000 0.072 0.000 0.819 371 A HN 0.531 nan 8.150 nan 0.000 0.448 372 D N -0.412 120.005 120.400 0.029 0.000 2.371 372 D HA -0.021 4.622 4.640 0.004 0.000 0.221 372 D C 1.228 177.532 176.300 0.007 0.000 0.986 372 D CA 0.536 54.551 54.000 0.026 0.000 0.899 372 D CB 0.026 40.848 40.800 0.036 0.000 0.902 372 D HN 0.445 nan 8.370 nan 0.000 0.530 373 E N -0.263 119.930 120.200 -0.012 0.000 2.481 373 E HA 0.050 4.402 4.350 0.004 0.000 0.198 373 E C 0.472 177.041 176.600 -0.052 0.000 1.027 373 E CA -0.038 56.347 56.400 -0.026 0.000 0.900 373 E CB 0.340 30.026 29.700 -0.024 0.000 0.993 373 E HN -0.040 nan 8.360 nan 0.000 0.482 374 S N 2.742 118.404 115.700 -0.062 0.000 2.562 374 S HA 0.203 4.675 4.470 0.004 0.000 0.281 374 S C -2.137 172.422 174.600 -0.069 0.000 1.333 374 S CA -1.027 57.120 58.200 -0.088 0.000 1.052 374 S CB 0.587 63.725 63.200 -0.104 0.000 0.884 374 S HN -0.068 nan 8.310 nan 0.000 0.506 375 P HA 0.493 nan 4.420 nan 0.000 0.283 375 P C -1.021 176.221 177.300 -0.097 0.000 1.278 375 P CA -0.663 62.372 63.100 -0.109 0.000 0.834 375 P CB 0.985 32.622 31.700 -0.105 0.000 1.150 376 V N -2.084 117.759 119.914 -0.118 0.000 2.864 376 V HA 0.638 4.761 4.120 0.004 0.000 0.314 376 V C -0.580 175.451 176.094 -0.105 0.000 1.073 376 V CA -0.930 61.309 62.300 -0.101 0.000 0.956 376 V CB 1.583 33.343 31.823 -0.105 0.000 1.023 376 V HN 0.320 nan 8.190 nan 0.000 0.435 377 N N 2.005 120.656 118.700 -0.082 0.000 2.456 377 N HA 0.800 5.542 4.740 0.004 0.000 0.288 377 N C -0.357 175.107 175.510 -0.076 0.000 1.059 377 N CA 0.108 53.112 53.050 -0.076 0.000 0.946 377 N CB 1.743 40.197 38.487 -0.055 0.000 1.150 377 N HN 1.228 nan 8.380 nan 0.000 0.479 378 A N 0.878 123.649 122.820 -0.081 0.000 2.342 378 A HA 0.779 5.101 4.320 0.004 0.000 0.323 378 A C -0.316 177.237 177.584 -0.051 0.000 1.125 378 A CA -0.527 51.465 52.037 -0.075 0.000 0.785 378 A CB 0.644 19.583 19.000 -0.102 0.000 1.221 378 A HN 0.668 nan 8.150 nan 0.000 0.463 379 S N 0.788 116.463 115.700 -0.041 0.000 2.651 379 S HA 0.992 5.464 4.470 0.004 0.000 0.279 379 S C 0.071 174.655 174.600 -0.025 0.000 1.148 379 S CA 0.042 58.224 58.200 -0.029 0.000 0.837 379 S CB 1.404 64.589 63.200 -0.025 0.000 1.138 379 S HN 2.675 nan 8.310 nan 0.000 0.478 380 G N 0.370 109.159 108.800 -0.018 0.000 2.247 380 G HA2 0.392 4.354 3.960 0.004 0.000 0.229 380 G HA3 0.392 4.354 3.960 0.004 0.000 0.229 380 G C -0.505 174.390 174.900 -0.008 0.000 1.345 380 G CA 0.215 45.306 45.100 -0.015 0.000 1.100 380 G HN 2.029 nan 8.290 nan 0.000 0.473 381 T N -2.411 112.139 114.554 -0.006 0.000 2.906 381 T HA 0.918 5.270 4.350 0.004 0.000 0.295 381 T C 0.895 175.599 174.700 0.007 0.000 1.075 381 T CA 0.791 62.893 62.100 0.002 0.000 1.005 381 T CB 1.557 70.427 68.868 0.004 0.000 1.136 381 T HN 2.878 nan 8.240 nan 0.000 0.498 382 G N 1.536 110.347 108.800 0.018 0.000 2.499 382 G HA2 -0.001 3.962 3.960 0.004 0.000 0.232 382 G HA3 -0.001 3.962 3.960 0.004 0.000 0.232 382 G C -0.991 173.932 174.900 0.038 0.000 1.251 382 G CA -0.425 44.692 45.100 0.030 0.000 0.917 382 G HN 0.978 nan 8.290 nan 0.000 0.580 383 R N -1.251 119.277 120.500 0.047 0.000 2.698 383 R HA 0.671 5.013 4.340 0.004 0.000 0.275 383 R C -1.475 174.854 176.300 0.049 0.000 1.001 383 R CA -0.886 55.251 56.100 0.062 0.000 0.896 383 R CB 2.162 32.524 30.300 0.104 0.000 1.218 383 R HN 0.604 nan 8.270 nan 0.000 0.462 384 L N 1.651 122.907 121.223 0.055 0.000 2.333 384 L HA 0.666 5.009 4.340 0.004 0.000 0.280 384 L C -0.783 176.133 176.870 0.077 0.000 1.004 384 L CA -0.297 54.568 54.840 0.041 0.000 0.820 384 L CB 1.801 43.852 42.059 -0.012 0.000 1.247 384 L HN 0.866 nan 8.230 nan 0.000 0.416 385 A N 5.403 128.297 122.820 0.123 0.000 2.310 385 A HA 0.792 5.114 4.320 0.004 0.000 0.299 385 A C -0.454 177.122 177.584 -0.014 0.000 1.147 385 A CA -0.581 51.462 52.037 0.010 0.000 0.818 385 A CB 0.573 19.716 19.000 0.239 0.000 1.096 385 A HN 0.749 nan 8.150 nan 0.000 0.495 386 R N 2.096 122.447 120.500 -0.249 0.000 2.532 386 R HA 0.590 4.933 4.340 0.004 0.000 0.297 386 R C -1.988 174.108 176.300 -0.339 0.000 0.984 386 R CA -0.358 55.604 56.100 -0.231 0.000 0.884 386 R CB 1.659 31.834 30.300 -0.209 0.000 1.182 386 R HN 0.492 nan 8.270 nan 0.000 0.442 387 V N 5.948 125.576 119.914 -0.477 0.000 2.483 387 V HA 0.557 4.679 4.120 0.004 0.000 0.295 387 V C -0.844 174.943 176.094 -0.511 0.000 1.035 387 V CA -0.398 61.508 62.300 -0.658 0.000 0.896 387 V CB 1.104 32.165 31.823 -1.271 0.000 0.986 387 V HN 0.853 nan 8.190 nan 0.000 0.447 388 Y N 2.445 122.368 120.300 -0.627 0.000 2.953 388 Y HA 0.566 5.118 4.550 0.004 0.000 0.321 388 Y C -1.295 174.580 175.900 -0.042 0.000 1.514 388 Y CA -1.551 56.388 58.100 -0.269 0.000 1.091 388 Y CB 1.366 39.742 38.460 -0.140 0.000 1.700 388 Y HN 0.473 nan 8.280 nan 0.000 0.436 389 N N 0.893 119.556 118.700 -0.062 0.000 2.346 389 N HA 0.282 5.025 4.740 0.004 0.000 0.289 389 N C -0.747 174.680 175.510 -0.140 0.000 1.027 389 N CA -0.525 52.450 53.050 -0.125 0.000 0.864 389 N CB 2.249 40.834 38.487 0.162 0.000 1.370 389 N HN 0.847 nan 8.380 nan 0.000 0.481 390 K N 1.990 122.239 120.400 -0.252 0.000 2.418 390 K HA 0.201 4.524 4.320 0.004 0.000 0.195 390 K C 0.785 177.446 176.600 0.102 0.000 1.035 390 K CA 0.209 56.473 56.287 -0.039 0.000 1.003 390 K CB 0.227 32.673 32.500 -0.089 0.000 0.793 390 K HN 0.459 nan 8.250 nan 0.000 0.494 391 L N 0.000 121.275 121.223 0.086 0.000 2.949 391 L HA 0.000 4.342 4.340 0.004 0.000 0.249 391 L CA 0.000 54.888 54.840 0.080 0.000 0.813 391 L CB 0.000 42.112 42.059 0.089 0.000 0.961 391 L HN 0.000 nan 8.230 nan 0.000 0.502