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 3eam_1_D DATA FIRST_RESID 5 DATA SEQUENCE VSPPPPIADE PLTVNTGIYL IECYSLDDKA ETFKVNAFLS LSWKDRRLAF DATA SEQUENCE DPVRSGVRVK TYEPEAIWIP EIRFVNVENA RDADVVDISV SPDGTVQYLE DATA SEQUENCE RFSARVLSPL DFRRYPFDSQ TLHIYLIVRS VDTRNIVLAV DLEKVGKNDD DATA SEQUENCE VFLTGWDIES FTAVVKPANF ALEDRLESKL DYQLRISRQY FSYIPNIILP DATA SEQUENCE MLFILFISWT AFWSTSYEAN VTLVVSTLIA HIAFNILVET NLPKTPYMTY DATA SEQUENCE TGAIIFMIYL FYFVAVIEVT VQHYLKVESQ PARAASITRA SRIAFPVVFL DATA SEQUENCE LANIILAFLF F 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.193 176.094 0.165 0.000 1.182 5 V CA 0.000 62.386 62.300 0.143 0.000 1.235 5 V CB 0.000 31.919 31.823 0.161 0.000 1.184 6 S N 3.851 119.623 115.700 0.119 0.000 2.636 6 S HA 0.864 5.334 4.470 0.001 0.000 0.266 6 S C -3.374 170.961 174.600 -0.441 0.000 1.147 6 S CA -0.998 57.224 58.200 0.037 0.000 0.815 6 S CB 1.780 64.980 63.200 -0.001 0.000 1.119 6 S HN 0.936 nan 8.310 nan 0.000 0.470 7 P HA 0.264 nan 4.420 nan 0.000 0.267 7 P C -2.654 174.168 177.300 -0.796 0.000 1.200 7 P CA -0.710 61.540 63.100 -1.416 0.000 0.772 7 P CB -0.987 30.208 31.700 -0.843 0.000 0.855 8 P HA 0.227 nan 4.420 nan 0.000 0.276 8 P C -2.471 174.673 177.300 -0.261 0.000 1.235 8 P CA -1.453 61.439 63.100 -0.347 0.000 0.772 8 P CB -0.459 31.120 31.700 -0.201 0.000 0.871 9 P HA 0.386 nan 4.420 nan 0.000 0.282 9 P C -2.605 174.639 177.300 -0.093 0.000 1.259 9 P CA -2.356 60.665 63.100 -0.131 0.000 0.826 9 P CB -0.843 30.796 31.700 -0.102 0.000 1.064 10 P HA 0.145 nan 4.420 nan 0.000 0.271 10 P C 1.130 178.405 177.300 -0.042 0.000 1.216 10 P CA -0.169 62.898 63.100 -0.055 0.000 0.771 10 P CB 0.281 31.951 31.700 -0.050 0.000 0.864 11 I N 1.008 121.559 120.570 -0.032 0.000 2.072 11 I HA -0.175 3.995 4.170 0.001 0.000 0.235 11 I C 1.554 177.657 176.117 -0.024 0.000 1.058 11 I CA 1.310 62.594 61.300 -0.026 0.000 1.320 11 I CB -1.351 36.637 38.000 -0.021 0.000 1.047 11 I HN 0.245 nan 8.210 nan 0.000 0.397 12 A N 0.761 123.568 122.820 -0.022 0.000 3.951 12 A HA 0.000 4.321 4.320 0.001 0.000 0.167 12 A C 0.853 178.422 177.584 -0.024 0.000 1.664 12 A CA 1.319 53.344 52.037 -0.020 0.000 1.093 12 A CB -0.685 18.305 19.000 -0.016 0.000 1.149 12 A HN 0.556 nan 8.150 nan 0.000 0.424 13 D N -0.854 119.532 120.400 -0.023 0.000 2.895 13 D HA 0.306 4.946 4.640 0.001 0.000 0.350 13 D C -0.933 175.352 176.300 -0.025 0.000 1.389 13 D CA -0.254 53.731 54.000 -0.026 0.000 0.812 13 D CB -0.212 40.573 40.800 -0.024 0.000 1.164 13 D HN 0.397 nan 8.370 nan 0.000 0.455 14 E N 0.276 120.462 120.200 -0.023 0.000 2.349 14 E HA 0.411 4.761 4.350 0.001 0.000 0.262 14 E C -2.139 174.447 176.600 -0.024 0.000 1.088 14 E CA -1.951 54.438 56.400 -0.019 0.000 0.899 14 E CB -0.432 29.262 29.700 -0.011 0.000 1.044 14 E HN 0.095 nan 8.360 nan 0.000 0.420 15 P HA 0.037 nan 4.420 nan 0.000 0.272 15 P C -0.748 176.545 177.300 -0.012 0.000 1.230 15 P CA -0.599 62.489 63.100 -0.021 0.000 0.788 15 P CB 0.515 32.206 31.700 -0.015 0.000 0.949 16 L N 1.700 122.913 121.223 -0.016 0.000 2.313 16 L HA 0.277 4.617 4.340 0.001 0.000 0.282 16 L C -0.007 176.890 176.870 0.045 0.000 1.092 16 L CA 0.494 55.341 54.840 0.012 0.000 0.831 16 L CB 0.104 42.151 42.059 -0.019 0.000 1.159 16 L HN 0.266 nan 8.230 nan 0.000 0.442 17 T N 5.021 119.621 114.554 0.076 0.000 2.771 17 T HA 0.460 4.810 4.350 0.001 0.000 0.291 17 T C -0.491 174.296 174.700 0.144 0.000 0.954 17 T CA -0.258 61.894 62.100 0.086 0.000 1.045 17 T CB 0.632 69.545 68.868 0.075 0.000 0.917 17 T HN 0.382 nan 8.240 nan 0.000 0.484 18 V N 6.347 126.329 119.914 0.114 0.000 2.357 18 V HA 0.342 4.462 4.120 0.001 0.000 0.284 18 V C 0.348 176.525 176.094 0.139 0.000 1.018 18 V CA -1.143 61.248 62.300 0.153 0.000 0.841 18 V CB 1.280 33.128 31.823 0.041 0.000 0.991 18 V HN 0.785 nan 8.190 nan 0.000 0.437 19 N N 3.129 121.937 118.700 0.180 0.000 2.514 19 N HA 0.425 5.166 4.740 0.001 0.000 0.277 19 N C 0.055 175.668 175.510 0.171 0.000 1.126 19 N CA -0.039 53.102 53.050 0.152 0.000 0.978 19 N CB 2.047 40.617 38.487 0.137 0.000 1.106 19 N HN 0.825 nan 8.380 nan 0.000 0.461 20 T N -1.732 112.926 114.554 0.174 0.000 2.893 20 T HA 0.761 5.111 4.350 0.001 0.000 0.291 20 T C -0.006 174.857 174.700 0.271 0.000 1.028 20 T CA -0.940 61.284 62.100 0.206 0.000 0.995 20 T CB 2.003 70.996 68.868 0.208 0.000 1.051 20 T HN 0.415 nan 8.240 nan 0.000 0.470 21 G N 1.402 110.366 108.800 0.272 0.000 2.667 21 G HA2 0.679 4.639 3.960 0.001 0.000 0.298 21 G HA3 0.679 4.639 3.960 0.001 0.000 0.298 21 G C -1.348 173.731 174.900 0.298 0.000 1.377 21 G CA -0.968 44.331 45.100 0.332 0.000 0.964 21 G HN 0.913 nan 8.290 nan 0.000 0.493 22 I N 1.041 121.806 120.570 0.324 0.000 2.436 22 I HA 0.319 4.490 4.170 0.001 0.000 0.289 22 I C -1.505 174.961 176.117 0.582 0.000 1.010 22 I CA -0.876 60.648 61.300 0.374 0.000 1.098 22 I CB 2.333 40.429 38.000 0.161 0.000 1.266 22 I HN 0.531 nan 8.210 nan 0.000 0.434 23 Y N 7.219 127.747 120.300 0.379 0.000 2.363 23 Y HA 0.504 5.055 4.550 0.001 0.000 0.325 23 Y C -0.883 175.077 175.900 0.100 0.000 0.984 23 Y CA -0.680 57.601 58.100 0.302 0.000 1.248 23 Y CB 1.042 39.715 38.460 0.356 0.000 1.116 23 Y HN 0.377 nan 8.280 nan 0.000 0.470 24 L N 7.549 128.508 121.223 -0.439 0.000 2.367 24 L HA 0.237 4.578 4.340 0.001 0.000 0.275 24 L C 0.673 177.286 176.870 -0.429 0.000 1.129 24 L CA 0.283 54.862 54.840 -0.435 0.000 0.839 24 L CB 0.880 42.600 42.059 -0.565 0.000 1.133 24 L HN 0.779 nan 8.230 nan 0.000 0.453 25 I N 0.259 120.658 120.570 -0.285 0.000 3.172 25 I HA 0.138 4.308 4.170 0.001 0.000 0.278 25 I C 0.439 176.469 176.117 -0.144 0.000 1.174 25 I CA 0.514 61.696 61.300 -0.198 0.000 1.445 25 I CB 0.391 38.252 38.000 -0.232 0.000 1.175 25 I HN 0.588 nan 8.210 nan 0.000 0.447 26 E N 0.062 120.179 120.200 -0.138 0.000 2.356 26 E HA 0.424 4.774 4.350 0.001 0.000 0.275 26 E C -1.700 174.892 176.600 -0.013 0.000 0.904 26 E CA -0.434 55.939 56.400 -0.045 0.000 0.757 26 E CB 2.856 32.551 29.700 -0.007 0.000 1.232 26 E HN -0.063 nan 8.360 nan 0.000 0.442 27 C N 2.701 121.996 119.300 -0.009 0.000 2.397 27 C HA 0.714 5.174 4.460 0.001 0.000 0.325 27 C C -1.055 173.942 174.990 0.012 0.000 1.201 27 C CA -0.794 58.204 59.018 -0.034 0.000 1.377 27 C CB -0.489 27.143 27.740 -0.180 0.000 2.038 27 C HN 0.708 nan 8.230 nan 0.000 0.457 28 Y N -0.743 119.460 120.300 -0.162 0.000 2.677 28 Y HA 0.724 5.275 4.550 0.001 0.000 0.334 28 Y C 0.348 176.216 175.900 -0.054 0.000 1.154 28 Y CA -1.637 56.363 58.100 -0.168 0.000 1.070 28 Y CB -0.044 38.322 38.460 -0.156 0.000 1.294 28 Y HN 0.555 nan 8.280 nan 0.000 0.475 29 S N 0.317 116.059 115.700 0.070 0.000 3.524 29 S HA -0.231 4.239 4.470 0.001 0.000 0.377 29 S C -0.432 174.180 174.600 0.020 0.000 0.949 29 S CA 0.638 58.862 58.200 0.041 0.000 1.264 29 S CB -1.519 61.683 63.200 0.003 0.000 0.918 29 S HN 0.748 nan 8.310 nan 0.000 0.517 30 L N 2.188 123.436 121.223 0.041 0.000 2.485 30 L HA 0.176 4.517 4.340 0.001 0.000 0.279 30 L C 0.282 177.242 176.870 0.150 0.000 1.124 30 L CA -0.044 54.819 54.840 0.038 0.000 0.888 30 L CB 0.353 42.293 42.059 -0.198 0.000 1.217 30 L HN 0.240 nan 8.230 nan 0.000 0.464 31 D N 4.039 124.520 120.400 0.135 0.000 2.396 31 D HA 0.031 4.672 4.640 0.001 0.000 0.225 31 D C 0.626 177.050 176.300 0.206 0.000 1.121 31 D CA -0.281 53.813 54.000 0.155 0.000 0.853 31 D CB 1.059 41.916 40.800 0.095 0.000 1.043 31 D HN 0.539 nan 8.370 nan 0.000 0.500 32 D N 3.271 123.844 120.400 0.287 0.000 2.104 32 D HA -0.175 4.465 4.640 0.001 0.000 0.194 32 D C 1.526 177.968 176.300 0.236 0.000 0.994 32 D CA 1.074 55.312 54.000 0.397 0.000 0.830 32 D CB 0.379 41.444 40.800 0.441 0.000 0.959 32 D HN 0.483 nan 8.370 nan 0.000 0.452 33 K N 0.455 120.908 120.400 0.088 0.000 2.009 33 K HA -0.110 4.210 4.320 0.001 0.000 0.210 33 K C 2.015 178.643 176.600 0.047 0.000 1.049 33 K CA 1.428 57.717 56.287 0.004 0.000 0.929 33 K CB -0.092 32.404 32.500 -0.007 0.000 0.714 33 K HN 0.014 nan 8.250 nan 0.000 0.440 34 A N 0.460 123.322 122.820 0.071 0.000 2.167 34 A HA -0.062 4.258 4.320 0.001 0.000 0.214 34 A C 0.160 177.799 177.584 0.093 0.000 1.151 34 A CA 0.748 52.822 52.037 0.062 0.000 0.735 34 A CB -0.167 18.858 19.000 0.043 0.000 0.802 34 A HN 0.491 nan 8.150 nan 0.000 0.467 35 E N -0.257 120.033 120.200 0.150 0.000 2.320 35 E HA -0.159 4.191 4.350 0.001 0.000 0.234 35 E C 0.057 176.735 176.600 0.130 0.000 1.183 35 E CA 0.656 57.162 56.400 0.177 0.000 0.713 35 E CB -1.775 28.040 29.700 0.192 0.000 1.226 35 E HN 0.835 nan 8.360 nan 0.000 0.382 36 T N -2.188 112.430 114.554 0.106 0.000 2.887 36 T HA 0.820 5.171 4.350 0.001 0.000 0.292 36 T C -0.475 174.283 174.700 0.097 0.000 1.087 36 T CA -0.733 61.397 62.100 0.051 0.000 1.009 36 T CB 1.826 70.669 68.868 -0.042 0.000 1.203 36 T HN 0.361 nan 8.240 nan 0.000 0.518 37 F N -1.685 118.174 119.950 -0.152 0.000 2.686 37 F HA 0.819 5.346 4.527 0.001 0.000 0.311 37 F C -1.402 174.206 175.800 -0.319 0.000 1.128 37 F CA -1.328 56.529 58.000 -0.238 0.000 0.946 37 F CB 1.557 40.395 39.000 -0.270 0.000 1.336 37 F HN 0.631 nan 8.300 nan 0.000 0.457 38 K N 1.872 122.004 120.400 -0.448 0.000 2.207 38 K HA 0.751 5.071 4.320 0.001 0.000 0.255 38 K C -1.631 174.584 176.600 -0.642 0.000 0.941 38 K CA -1.177 54.658 56.287 -0.754 0.000 0.825 38 K CB 2.675 34.452 32.500 -1.204 0.000 1.119 38 K HN 0.638 nan 8.250 nan 0.000 0.430 39 V N 2.352 121.982 119.914 -0.473 0.000 2.876 39 V HA 0.474 4.595 4.120 0.001 0.000 0.312 39 V C -1.517 174.414 176.094 -0.271 0.000 1.085 39 V CA -0.669 61.470 62.300 -0.269 0.000 0.945 39 V CB 2.126 33.853 31.823 -0.160 0.000 1.017 39 V HN 0.822 nan 8.190 nan 0.000 0.428 40 N N 3.426 121.974 118.700 -0.252 0.000 2.371 40 N HA 0.838 5.579 4.740 0.001 0.000 0.291 40 N C -1.130 174.092 175.510 -0.480 0.000 1.053 40 N CA 0.303 53.130 53.050 -0.371 0.000 0.870 40 N CB 2.179 40.586 38.487 -0.133 0.000 1.503 40 N HN 1.120 nan 8.380 nan 0.000 0.485 41 A N 1.986 124.358 122.820 -0.747 0.000 2.601 41 A HA 0.620 4.941 4.320 0.001 0.000 0.291 41 A C -1.712 175.697 177.584 -0.292 0.000 1.075 41 A CA -0.572 51.158 52.037 -0.512 0.000 0.671 41 A CB 0.590 19.355 19.000 -0.392 0.000 1.277 41 A HN 0.367 nan 8.150 nan 0.000 0.417 42 F N 0.168 120.208 119.950 0.150 0.000 2.399 42 F HA 0.579 5.106 4.527 0.000 0.000 0.342 42 F C 0.208 176.264 175.800 0.426 0.000 1.106 42 F CA -0.506 57.651 58.000 0.262 0.000 1.196 42 F CB 1.545 40.685 39.000 0.233 0.000 1.163 42 F HN 0.446 nan 8.300 nan 0.000 0.547 43 L N 3.434 125.071 121.223 0.690 0.000 2.356 43 L HA 0.615 4.956 4.340 0.001 0.000 0.277 43 L C -0.471 176.640 176.870 0.403 0.000 0.996 43 L CA -0.261 54.886 54.840 0.513 0.000 0.822 43 L CB 1.488 43.789 42.059 0.405 0.000 1.256 43 L HN 0.539 nan 8.230 nan 0.000 0.413 44 S N 5.729 121.621 115.700 0.320 0.000 2.482 44 S HA 0.850 5.320 4.470 0.001 0.000 0.303 44 S C -0.881 173.893 174.600 0.290 0.000 1.091 44 S CA -0.771 57.603 58.200 0.290 0.000 1.057 44 S CB 1.206 64.518 63.200 0.186 0.000 1.031 44 S HN 0.645 nan 8.310 nan 0.000 0.485 45 L N 2.178 123.628 121.223 0.378 0.000 2.386 45 L HA 0.752 5.092 4.340 0.001 0.000 0.271 45 L C -0.225 176.892 176.870 0.412 0.000 0.993 45 L CA -0.623 54.426 54.840 0.348 0.000 0.819 45 L CB 2.245 44.440 42.059 0.226 0.000 1.294 45 L HN 0.780 nan 8.230 nan 0.000 0.414 46 S N 1.801 117.737 115.700 0.393 0.000 2.548 46 S HA 0.809 5.280 4.470 0.001 0.000 0.276 46 S C -1.897 172.947 174.600 0.407 0.000 1.129 46 S CA -0.478 57.871 58.200 0.248 0.000 0.931 46 S CB 1.273 64.533 63.200 0.101 0.000 1.068 46 S HN 0.579 nan 8.310 nan 0.000 0.480 47 W N 2.625 123.968 121.300 0.072 0.000 3.066 47 W HA 0.686 5.346 4.660 0.000 0.000 0.330 47 W C -1.664 174.894 176.519 0.065 0.000 1.253 47 W CA -1.004 56.386 57.345 0.075 0.000 1.187 47 W CB 0.429 29.960 29.460 0.120 0.000 1.434 47 W HN 0.593 nan 8.180 nan 0.000 0.572 48 K N 2.040 122.534 120.400 0.156 0.000 2.276 48 K HA 0.316 4.637 4.320 0.001 0.000 0.285 48 K C -1.206 175.470 176.600 0.126 0.000 1.062 48 K CA -0.047 56.262 56.287 0.036 0.000 0.918 48 K CB 0.843 33.367 32.500 0.040 0.000 1.055 48 K HN 0.444 nan 8.250 nan 0.000 0.477 49 D N 3.760 124.181 120.400 0.035 0.000 2.440 49 D HA 0.241 4.881 4.640 0.001 0.000 0.252 49 D C 0.343 176.652 176.300 0.015 0.000 1.180 49 D CA -0.371 53.683 54.000 0.090 0.000 0.894 49 D CB 0.795 41.717 40.800 0.204 0.000 1.111 49 D HN 0.582 nan 8.370 nan 0.000 0.544 50 R N 1.940 122.439 120.500 -0.001 0.000 2.096 50 R HA 0.001 4.341 4.340 0.001 0.000 0.235 50 R C 1.677 177.975 176.300 -0.003 0.000 1.127 50 R CA 0.900 56.990 56.100 -0.017 0.000 0.968 50 R CB 0.194 30.480 30.300 -0.023 0.000 0.861 50 R HN 0.384 nan 8.270 nan 0.000 0.440 51 R N 0.173 120.676 120.500 0.004 0.000 2.332 51 R HA -0.155 4.185 4.340 0.001 0.000 0.239 51 R C 1.382 177.712 176.300 0.051 0.000 1.160 51 R CA 0.926 57.038 56.100 0.021 0.000 1.020 51 R CB -0.171 30.136 30.300 0.012 0.000 0.859 51 R HN 0.275 nan 8.270 nan 0.000 0.478 52 L N -0.519 120.735 121.223 0.051 0.000 2.693 52 L HA 0.281 4.622 4.340 0.001 0.000 0.235 52 L C 0.728 177.695 176.870 0.161 0.000 1.127 52 L CA -0.579 54.327 54.840 0.110 0.000 0.914 52 L CB 0.305 42.395 42.059 0.051 0.000 1.193 52 L HN 0.050 nan 8.230 nan 0.000 0.502 53 A N 1.038 123.879 122.820 0.035 0.000 2.386 53 A HA 0.516 4.837 4.320 0.001 0.000 0.246 53 A C -0.451 177.137 177.584 0.007 0.000 1.089 53 A CA 0.161 52.127 52.037 -0.118 0.000 0.790 53 A CB 0.122 19.033 19.000 -0.149 0.000 1.042 53 A HN 0.255 nan 8.150 nan 0.000 0.497 54 F N -1.790 118.175 119.950 0.025 0.000 2.713 54 F HA 0.575 5.102 4.527 0.001 0.000 0.311 54 F C -1.061 174.747 175.800 0.014 0.000 1.141 54 F CA -1.705 56.309 58.000 0.024 0.000 0.939 54 F CB 0.781 39.801 39.000 0.033 0.000 1.325 54 F HN 0.457 nan 8.300 nan 0.000 0.453 55 D N 2.512 123.071 120.400 0.266 0.000 2.317 55 D HA 0.419 5.060 4.640 0.001 0.000 0.252 55 D C -1.818 174.654 176.300 0.286 0.000 1.174 55 D CA -2.053 52.053 54.000 0.178 0.000 0.866 55 D CB 1.537 42.399 40.800 0.103 0.000 1.127 55 D HN 0.222 nan 8.370 nan 0.000 0.467 56 P HA -0.166 nan 4.420 nan 0.000 0.218 56 P C 1.156 178.531 177.300 0.125 0.000 1.148 56 P CA 0.684 63.920 63.100 0.227 0.000 0.822 56 P CB 0.239 32.017 31.700 0.130 0.000 0.784 57 V N 0.886 120.853 119.914 0.088 0.000 2.379 57 V HA -0.138 3.982 4.120 0.001 0.000 0.243 57 V C 2.252 178.369 176.094 0.037 0.000 1.035 57 V CA 1.600 63.930 62.300 0.050 0.000 1.035 57 V CB -1.318 30.527 31.823 0.037 0.000 0.673 57 V HN 0.136 nan 8.190 nan 0.000 0.457 58 R N 1.053 121.579 120.500 0.043 0.000 2.323 58 R HA 0.098 4.438 4.340 0.001 0.000 0.198 58 R C 1.533 177.839 176.300 0.010 0.000 0.988 58 R CA 1.058 57.173 56.100 0.026 0.000 1.041 58 R CB -0.460 29.858 30.300 0.030 0.000 0.926 58 R HN 0.532 nan 8.270 nan 0.000 0.476 59 S N 0.148 115.853 115.700 0.009 0.000 2.564 59 S HA 0.200 4.671 4.470 0.001 0.000 0.231 59 S C 1.229 175.799 174.600 -0.050 0.000 1.067 59 S CA 0.211 58.384 58.200 -0.046 0.000 0.908 59 S CB 0.921 64.058 63.200 -0.104 0.000 0.809 59 S HN 0.565 nan 8.310 nan 0.000 0.491 60 G N 1.971 110.762 108.800 -0.015 0.000 2.221 60 G HA2 -0.193 3.767 3.960 0.001 0.000 0.265 60 G HA3 -0.193 3.767 3.960 0.001 0.000 0.265 60 G C -0.029 174.856 174.900 -0.025 0.000 1.041 60 G CA 0.336 45.428 45.100 -0.014 0.000 0.807 60 G HN 1.331 nan 8.290 nan 0.000 0.502 61 V N -3.921 115.980 119.914 -0.021 0.000 2.891 61 V HA 0.741 4.862 4.120 0.001 0.000 0.304 61 V C 1.017 177.135 176.094 0.040 0.000 1.171 61 V CA -0.361 61.918 62.300 -0.035 0.000 0.943 61 V CB 1.486 33.232 31.823 -0.128 0.000 1.037 61 V HN 0.481 nan 8.190 nan 0.000 0.427 62 R N 2.459 122.991 120.500 0.052 0.000 2.153 62 R HA 0.366 4.707 4.340 0.001 0.000 0.218 62 R C 0.315 176.726 176.300 0.185 0.000 1.072 62 R CA 0.963 57.128 56.100 0.108 0.000 0.990 62 R CB 0.447 30.782 30.300 0.057 0.000 0.889 62 R HN 0.670 nan 8.270 nan 0.000 0.452 63 V N 0.173 120.157 119.914 0.117 0.000 3.159 63 V HA 0.457 4.577 4.120 0.001 0.000 0.308 63 V C -1.616 174.473 176.094 -0.008 0.000 1.190 63 V CA -1.087 61.300 62.300 0.146 0.000 1.037 63 V CB 2.813 34.678 31.823 0.070 0.000 1.060 63 V HN 0.183 nan 8.190 nan 0.000 0.437 64 K N 1.386 121.795 120.400 0.015 0.000 2.426 64 K HA 0.658 4.979 4.320 0.001 0.000 0.251 64 K C -1.252 175.290 176.600 -0.096 0.000 0.941 64 K CA -0.620 55.570 56.287 -0.161 0.000 0.808 64 K CB 2.400 34.723 32.500 -0.295 0.000 1.265 64 K HN 0.768 nan 8.250 nan 0.000 0.432 65 T N 1.658 116.074 114.554 -0.229 0.000 2.902 65 T HA 0.517 4.868 4.350 0.001 0.000 0.283 65 T C -1.146 173.376 174.700 -0.297 0.000 1.009 65 T CA -0.373 61.640 62.100 -0.145 0.000 1.051 65 T CB 0.448 69.252 68.868 -0.105 0.000 0.999 65 T HN 0.308 nan 8.240 nan 0.000 0.474 66 Y N 0.103 120.416 120.300 0.021 0.000 2.581 66 Y HA 0.404 4.954 4.550 0.001 0.000 0.345 66 Y C 0.225 176.152 175.900 0.046 0.000 1.036 66 Y CA -1.248 56.877 58.100 0.041 0.000 1.042 66 Y CB 1.552 40.055 38.460 0.072 0.000 1.289 66 Y HN 0.422 nan 8.280 nan 0.000 0.471 67 E N 2.781 123.124 120.200 0.238 0.000 2.249 67 E HA 0.209 4.560 4.350 0.001 0.000 0.280 67 E C -1.912 174.793 176.600 0.174 0.000 1.016 67 E CA -1.898 54.596 56.400 0.156 0.000 0.830 67 E CB 1.309 31.075 29.700 0.110 0.000 1.081 67 E HN 0.367 nan 8.360 nan 0.000 0.395 68 P HA -0.270 nan 4.420 nan 0.000 0.219 68 P C 1.027 178.401 177.300 0.122 0.000 1.161 68 P CA 1.740 64.934 63.100 0.157 0.000 0.909 68 P CB 0.251 32.033 31.700 0.137 0.000 0.793 69 E N -0.595 119.665 120.200 0.100 0.000 2.338 69 E HA -0.066 4.285 4.350 0.001 0.000 0.197 69 E C 1.801 178.457 176.600 0.094 0.000 1.007 69 E CA 1.289 57.737 56.400 0.079 0.000 0.849 69 E CB -1.120 28.618 29.700 0.064 0.000 0.774 69 E HN 0.223 nan 8.360 nan 0.000 0.506 70 A N 1.852 124.748 122.820 0.127 0.000 2.014 70 A HA 0.170 4.490 4.320 0.001 0.000 0.218 70 A C 1.612 179.252 177.584 0.092 0.000 1.163 70 A CA 0.820 52.946 52.037 0.148 0.000 0.652 70 A CB -0.473 18.684 19.000 0.261 0.000 0.808 70 A HN 0.431 nan 8.150 nan 0.000 0.449 71 I N -7.432 113.177 120.570 0.066 0.000 3.042 71 I HA 0.635 4.805 4.170 0.001 0.000 0.310 71 I C -0.495 175.723 176.117 0.168 0.000 1.117 71 I CA -1.460 59.872 61.300 0.054 0.000 1.003 71 I CB 1.299 39.240 38.000 -0.098 0.000 1.228 71 I HN 0.187 nan 8.210 nan 0.000 0.443 72 W N 5.007 126.329 121.300 0.037 0.000 2.303 72 W HA 0.605 5.266 4.660 0.001 0.000 0.318 72 W C -1.237 175.303 176.519 0.036 0.000 1.362 72 W CA 0.050 57.405 57.345 0.016 0.000 1.234 72 W CB 0.540 29.996 29.460 -0.008 0.000 1.248 72 W HN 0.348 nan 8.180 nan 0.000 0.546 73 I N 9.235 129.343 120.570 -0.770 0.000 2.498 73 I HA 0.283 4.453 4.170 0.001 0.000 0.290 73 I C -1.772 173.315 176.117 -1.716 0.000 1.032 73 I CA -2.414 58.286 61.300 -0.999 0.000 1.073 73 I CB 2.108 39.837 38.000 -0.452 0.000 1.251 73 I HN 0.250 nan 8.210 nan 0.000 0.426 74 P HA 0.152 nan 4.420 nan 0.000 0.279 74 P C -0.891 175.908 177.300 -0.835 0.000 1.239 74 P CA -0.335 61.906 63.100 -1.432 0.000 0.789 74 P CB 0.609 31.688 31.700 -1.035 0.000 0.933 75 E N 2.462 122.313 120.200 -0.581 0.000 1.791 75 E HA 0.132 4.483 4.350 0.001 0.000 0.263 75 E C 0.045 176.451 176.600 -0.324 0.000 1.213 75 E CA -0.296 55.872 56.400 -0.387 0.000 0.991 75 E CB -0.167 29.376 29.700 -0.263 0.000 1.068 75 E HN 0.285 nan 8.360 nan 0.000 0.417 76 I N 3.128 123.484 120.570 -0.358 0.000 2.474 76 I HA 0.203 4.373 4.170 0.001 0.000 0.287 76 I C 0.728 176.654 176.117 -0.318 0.000 1.048 76 I CA 0.021 61.125 61.300 -0.327 0.000 1.383 76 I CB 0.636 38.416 38.000 -0.368 0.000 1.412 76 I HN 0.355 nan 8.210 nan 0.000 0.531 77 R N 4.390 124.715 120.500 -0.291 0.000 2.888 77 R HA 0.593 4.933 4.340 0.001 0.000 0.266 77 R C -1.253 174.848 176.300 -0.333 0.000 1.020 77 R CA -0.781 55.164 56.100 -0.258 0.000 0.963 77 R CB 1.638 31.872 30.300 -0.108 0.000 1.197 77 R HN 0.171 nan 8.270 nan 0.000 0.481 78 F N 0.138 120.046 119.950 -0.070 0.000 2.384 78 F HA 0.158 4.685 4.527 0.001 0.000 0.338 78 F C 1.454 177.273 175.800 0.032 0.000 1.103 78 F CA -0.476 57.512 58.000 -0.019 0.000 1.157 78 F CB 1.082 40.046 39.000 -0.059 0.000 1.167 78 F HN 0.202 nan 8.300 nan 0.000 0.529 79 V N 1.575 121.650 119.914 0.268 0.000 2.273 79 V HA -0.206 3.915 4.120 0.001 0.000 0.242 79 V C 1.453 177.657 176.094 0.182 0.000 1.035 79 V CA 1.453 63.865 62.300 0.188 0.000 1.013 79 V CB -0.373 31.545 31.823 0.158 0.000 0.652 79 V HN 0.814 nan 8.190 nan 0.000 0.452 80 N N 1.849 120.699 118.700 0.250 0.000 3.052 80 N HA 0.102 4.843 4.740 0.001 0.000 0.302 80 N C -0.342 175.210 175.510 0.071 0.000 1.332 80 N CA 0.098 53.254 53.050 0.177 0.000 1.129 80 N CB 0.282 38.933 38.487 0.274 0.000 1.436 80 N HN 0.449 nan 8.380 nan 0.000 0.536 81 V N -3.355 116.588 119.914 0.049 0.000 2.975 81 V HA 0.408 4.529 4.120 0.001 0.000 0.318 81 V C 1.093 177.176 176.094 -0.019 0.000 1.077 81 V CA -0.834 61.447 62.300 -0.032 0.000 1.000 81 V CB 1.968 33.766 31.823 -0.042 0.000 1.066 81 V HN 0.032 nan 8.190 nan 0.000 0.452 82 E N 1.865 122.035 120.200 -0.050 0.000 2.016 82 E HA -0.024 4.326 4.350 0.001 0.000 0.190 82 E C -0.104 176.488 176.600 -0.015 0.000 0.985 82 E CA 1.429 57.810 56.400 -0.032 0.000 0.802 82 E CB 0.039 29.710 29.700 -0.048 0.000 0.762 82 E HN 0.854 nan 8.360 nan 0.000 0.448 83 N N -0.667 118.021 118.700 -0.018 0.000 2.328 83 N HA 0.386 5.127 4.740 0.001 0.000 0.299 83 N C -1.214 174.304 175.510 0.013 0.000 1.179 83 N CA -0.356 52.693 53.050 -0.001 0.000 0.793 83 N CB 1.623 40.109 38.487 -0.002 0.000 1.366 83 N HN 0.130 nan 8.380 nan 0.000 0.493 84 A N 1.105 123.941 122.820 0.027 0.000 2.600 84 A HA -0.044 4.276 4.320 0.001 0.000 0.244 84 A C 0.486 178.103 177.584 0.055 0.000 1.016 84 A CA 0.273 52.338 52.037 0.047 0.000 0.778 84 A CB -0.404 18.618 19.000 0.037 0.000 0.920 84 A HN 0.787 nan 8.150 nan 0.000 0.513 85 R N 2.224 122.777 120.500 0.088 0.000 2.758 85 R HA 0.143 4.483 4.340 0.001 0.000 0.263 85 R C -0.963 175.415 176.300 0.130 0.000 1.010 85 R CA -0.077 56.090 56.100 0.110 0.000 1.114 85 R CB 0.317 30.711 30.300 0.157 0.000 0.985 85 R HN 0.528 nan 8.270 nan 0.000 0.439 86 D N 0.980 121.468 120.400 0.147 0.000 2.339 86 D HA 0.370 5.011 4.640 0.001 0.000 0.241 86 D C -0.972 175.442 176.300 0.190 0.000 1.183 86 D CA 0.233 54.313 54.000 0.133 0.000 0.859 86 D CB 1.393 42.250 40.800 0.095 0.000 1.067 86 D HN 0.663 nan 8.370 nan 0.000 0.484 87 A N 3.296 126.218 122.820 0.170 0.000 2.374 87 A HA 0.496 4.817 4.320 0.001 0.000 0.305 87 A C -0.960 176.718 177.584 0.155 0.000 1.053 87 A CA -0.845 51.318 52.037 0.211 0.000 0.726 87 A CB 1.296 20.436 19.000 0.233 0.000 1.229 87 A HN 0.303 nan 8.150 nan 0.000 0.431 88 D N 1.703 122.195 120.400 0.153 0.000 2.344 88 D HA 0.377 5.017 4.640 0.001 0.000 0.239 88 D C -0.293 176.064 176.300 0.094 0.000 1.064 88 D CA -0.077 53.988 54.000 0.108 0.000 0.829 88 D CB 1.966 42.819 40.800 0.089 0.000 1.129 88 D HN 0.198 nan 8.370 nan 0.000 0.506 89 V N 3.324 123.269 119.914 0.051 0.000 2.485 89 V HA -0.034 4.086 4.120 0.001 0.000 0.287 89 V C 1.544 177.603 176.094 -0.058 0.000 1.022 89 V CA 0.098 62.362 62.300 -0.060 0.000 1.067 89 V CB 1.285 33.080 31.823 -0.048 0.000 0.967 89 V HN 0.416 nan 8.190 nan 0.000 0.479 90 V N 3.731 123.588 119.914 -0.094 0.000 2.535 90 V HA 0.088 4.208 4.120 0.001 0.000 0.246 90 V C 0.530 176.572 176.094 -0.086 0.000 1.045 90 V CA 1.542 63.815 62.300 -0.046 0.000 1.058 90 V CB -0.097 31.715 31.823 -0.017 0.000 0.689 90 V HN 1.094 nan 8.190 nan 0.000 0.461 91 D N -1.861 118.444 120.400 -0.157 0.000 2.734 91 D HA 0.333 4.973 4.640 0.001 0.000 0.224 91 D C -1.484 174.737 176.300 -0.131 0.000 1.222 91 D CA -0.378 53.552 54.000 -0.117 0.000 0.761 91 D CB 1.045 41.781 40.800 -0.107 0.000 1.569 91 D HN 0.063 nan 8.370 nan 0.000 0.477 92 I N 2.298 122.851 120.570 -0.029 0.000 2.478 92 I HA 0.432 4.602 4.170 0.001 0.000 0.287 92 I C -0.558 175.607 176.117 0.079 0.000 1.042 92 I CA -0.661 60.669 61.300 0.049 0.000 1.067 92 I CB 2.004 40.097 38.000 0.155 0.000 1.233 92 I HN 0.219 nan 8.210 nan 0.000 0.431 93 S N 4.738 120.467 115.700 0.049 0.000 2.482 93 S HA 0.688 5.158 4.470 0.001 0.000 0.303 93 S C -0.518 174.124 174.600 0.069 0.000 1.091 93 S CA -0.584 57.651 58.200 0.059 0.000 1.057 93 S CB 2.349 65.558 63.200 0.016 0.000 1.031 93 S HN 0.291 nan 8.310 nan 0.000 0.485 94 V N 3.231 123.241 119.914 0.159 0.000 2.444 94 V HA 0.548 4.669 4.120 0.001 0.000 0.294 94 V C 0.218 176.461 176.094 0.248 0.000 1.022 94 V CA -0.777 61.634 62.300 0.184 0.000 0.850 94 V CB 1.541 33.581 31.823 0.361 0.000 0.992 94 V HN 0.960 nan 8.190 nan 0.000 0.426 95 S N 4.923 120.683 115.700 0.101 0.000 2.730 95 S HA 0.559 5.029 4.470 0.001 0.000 0.284 95 S C -1.887 172.581 174.600 -0.221 0.000 1.153 95 S CA -1.440 56.801 58.200 0.068 0.000 0.995 95 S CB 1.725 64.923 63.200 -0.004 0.000 1.058 95 S HN 0.441 nan 8.310 nan 0.000 0.552 96 P HA -0.146 nan 4.420 nan 0.000 0.215 96 P C 0.922 177.751 177.300 -0.784 0.000 1.157 96 P CA 1.541 63.939 63.100 -1.171 0.000 0.874 96 P CB -0.226 31.187 31.700 -0.477 0.000 0.790 97 D N -1.257 118.914 120.400 -0.380 0.000 2.338 97 D HA 0.008 4.648 4.640 0.001 0.000 0.239 97 D C 1.100 177.281 176.300 -0.199 0.000 1.095 97 D CA 0.739 54.593 54.000 -0.243 0.000 0.888 97 D CB -0.959 39.751 40.800 -0.149 0.000 0.899 97 D HN 0.265 nan 8.370 nan 0.000 0.525 98 G N 0.209 108.870 108.800 -0.233 0.000 2.137 98 G HA2 -0.250 3.711 3.960 0.001 0.000 0.237 98 G HA3 -0.250 3.711 3.960 0.001 0.000 0.237 98 G C 0.220 175.041 174.900 -0.131 0.000 1.002 98 G CA 0.247 45.270 45.100 -0.128 0.000 0.702 98 G HN 0.416 nan 8.290 nan 0.000 0.515 99 T N 0.797 115.265 114.554 -0.142 0.000 2.814 99 T HA 0.450 4.801 4.350 0.001 0.000 0.297 99 T C 0.696 175.251 174.700 -0.242 0.000 0.956 99 T CA -0.007 61.987 62.100 -0.176 0.000 1.123 99 T CB 1.745 70.542 68.868 -0.119 0.000 0.902 99 T HN 0.448 nan 8.240 nan 0.000 0.528 100 V N 5.358 124.979 119.914 -0.490 0.000 2.439 100 V HA 0.311 4.431 4.120 0.001 0.000 0.282 100 V C 0.233 176.025 176.094 -0.503 0.000 1.039 100 V CA -0.728 61.209 62.300 -0.605 0.000 0.913 100 V CB 1.408 32.515 31.823 -1.193 0.000 0.983 100 V HN 0.778 nan 8.190 nan 0.000 0.460 101 Q N 3.659 123.318 119.800 -0.235 0.000 2.368 101 Q HA 0.397 4.737 4.340 0.001 0.000 0.263 101 Q C -1.485 174.531 176.000 0.026 0.000 1.009 101 Q CA -0.509 55.243 55.803 -0.085 0.000 0.818 101 Q CB 2.316 31.026 28.738 -0.046 0.000 1.239 101 Q HN 0.779 nan 8.270 nan 0.000 0.464 102 Y N 3.276 123.568 120.300 -0.012 0.000 2.360 102 Y HA 0.571 5.122 4.550 0.001 0.000 0.337 102 Y C -1.709 174.237 175.900 0.077 0.000 1.039 102 Y CA -1.165 56.989 58.100 0.090 0.000 1.109 102 Y CB 1.015 39.640 38.460 0.274 0.000 1.201 102 Y HN 0.543 nan 8.280 nan 0.000 0.458 103 L N 6.786 127.775 121.223 -0.388 0.000 2.439 103 L HA 0.472 4.812 4.340 0.001 0.000 0.270 103 L C -1.366 175.286 176.870 -0.363 0.000 0.972 103 L CA -0.402 54.285 54.840 -0.254 0.000 0.836 103 L CB 1.757 43.660 42.059 -0.260 0.000 1.255 103 L HN 0.819 nan 8.230 nan 0.000 0.404 104 E N 4.181 124.365 120.200 -0.026 0.000 2.312 104 E HA 0.609 4.960 4.350 0.001 0.000 0.267 104 E C -1.237 175.613 176.600 0.416 0.000 0.894 104 E CA -1.115 55.363 56.400 0.130 0.000 0.773 104 E CB 2.145 32.006 29.700 0.268 0.000 1.241 104 E HN 0.531 nan 8.360 nan 0.000 0.432 105 R N 2.180 122.897 120.500 0.362 0.000 2.445 105 R HA 0.459 4.800 4.340 0.001 0.000 0.308 105 R C -1.382 175.064 176.300 0.244 0.000 0.961 105 R CA -0.596 55.684 56.100 0.300 0.000 0.862 105 R CB 0.780 31.179 30.300 0.164 0.000 1.144 105 R HN 0.607 nan 8.270 nan 0.000 0.447 106 F N 0.464 120.478 119.950 0.106 0.000 2.603 106 F HA 0.694 5.222 4.527 0.000 0.000 0.317 106 F C -1.152 174.657 175.800 0.015 0.000 1.066 106 F CA -0.953 57.097 58.000 0.084 0.000 0.941 106 F CB 1.792 40.883 39.000 0.152 0.000 1.291 106 F HN 0.393 nan 8.300 nan 0.000 0.472 107 S N 1.341 117.052 115.700 0.019 0.000 2.542 107 S HA 0.992 5.462 4.470 0.001 0.000 0.293 107 S C -0.977 173.669 174.600 0.077 0.000 1.089 107 S CA -0.277 57.874 58.200 -0.083 0.000 0.961 107 S CB 1.500 64.677 63.200 -0.037 0.000 1.062 107 S HN 1.751 nan 8.310 nan 0.000 0.483 108 A N 1.491 124.277 122.820 -0.057 0.000 2.610 108 A HA 0.820 5.141 4.320 0.001 0.000 0.291 108 A C -1.047 176.367 177.584 -0.283 0.000 1.086 108 A CA -0.994 50.964 52.037 -0.132 0.000 0.677 108 A CB 1.442 20.324 19.000 -0.197 0.000 1.278 108 A HN 0.929 nan 8.150 nan 0.000 0.414 109 R N 0.961 121.300 120.500 -0.268 0.000 2.265 109 R HA 0.608 4.949 4.340 0.001 0.000 0.328 109 R C -1.524 174.549 176.300 -0.378 0.000 0.969 109 R CA -0.224 55.673 56.100 -0.338 0.000 0.832 109 R CB 0.987 31.161 30.300 -0.211 0.000 1.139 109 R HN 0.524 nan 8.270 nan 0.000 0.457 110 V N 5.620 125.164 119.914 -0.617 0.000 2.483 110 V HA 0.314 4.435 4.120 0.001 0.000 0.295 110 V C -0.124 175.757 176.094 -0.355 0.000 1.035 110 V CA -0.991 60.961 62.300 -0.580 0.000 0.896 110 V CB 1.606 32.793 31.823 -1.061 0.000 0.986 110 V HN 0.614 nan 8.190 nan 0.000 0.447 111 L N 3.653 124.808 121.223 -0.115 0.000 2.292 111 L HA 0.634 4.974 4.340 0.001 0.000 0.284 111 L C 0.147 177.083 176.870 0.111 0.000 1.065 111 L CA 0.724 55.570 54.840 0.010 0.000 0.806 111 L CB 1.254 43.335 42.059 0.036 0.000 1.175 111 L HN 0.846 nan 8.230 nan 0.000 0.431 112 S N 6.090 121.885 115.700 0.159 0.000 2.584 112 S HA 0.461 4.931 4.470 0.001 0.000 0.282 112 S C -2.745 171.957 174.600 0.169 0.000 1.138 112 S CA -0.706 57.623 58.200 0.216 0.000 0.987 112 S CB 1.645 65.038 63.200 0.322 0.000 1.137 112 S HN 0.412 nan 8.310 nan 0.000 0.457 113 P HA 0.330 nan 4.420 nan 0.000 0.271 113 P C -0.998 176.353 177.300 0.084 0.000 1.218 113 P CA -0.357 62.825 63.100 0.137 0.000 0.780 113 P CB 0.483 32.261 31.700 0.130 0.000 0.901 114 L N 1.592 122.842 121.223 0.046 0.000 2.342 114 L HA 0.454 4.795 4.340 0.001 0.000 0.271 114 L C 0.453 177.207 176.870 -0.193 0.000 1.008 114 L CA -0.848 53.879 54.840 -0.187 0.000 0.818 114 L CB 1.426 43.174 42.059 -0.517 0.000 1.296 114 L HN 0.245 nan 8.230 nan 0.000 0.427 115 D N 1.154 121.437 120.400 -0.195 0.000 2.380 115 D HA 0.213 4.853 4.640 0.001 0.000 0.230 115 D C 0.022 176.288 176.300 -0.057 0.000 1.154 115 D CA -0.117 53.842 54.000 -0.068 0.000 0.859 115 D CB 0.692 41.444 40.800 -0.079 0.000 1.045 115 D HN 0.274 nan 8.370 nan 0.000 0.495 116 F N 2.235 122.414 119.950 0.381 0.000 2.732 116 F HA 0.244 4.772 4.527 0.001 0.000 0.303 116 F C 2.236 178.303 175.800 0.445 0.000 1.110 116 F CA -0.240 57.988 58.000 0.381 0.000 1.355 116 F CB 0.122 39.272 39.000 0.249 0.000 1.081 116 F HN 0.273 nan 8.300 nan 0.000 0.565 117 R N 0.428 121.197 120.500 0.448 0.000 2.117 117 R HA -0.117 4.223 4.340 0.001 0.000 0.243 117 R C 1.301 177.840 176.300 0.399 0.000 1.143 117 R CA 1.423 57.736 56.100 0.355 0.000 0.968 117 R CB -0.085 30.195 30.300 -0.034 0.000 0.863 117 R HN 0.220 nan 8.270 nan 0.000 0.444 118 R N -0.963 119.702 120.500 0.275 0.000 2.552 118 R HA 0.076 4.416 4.340 0.001 0.000 0.314 118 R C -0.685 175.852 176.300 0.396 0.000 1.041 118 R CA -0.369 55.871 56.100 0.233 0.000 1.076 118 R CB 0.355 30.707 30.300 0.088 0.000 1.290 118 R HN 0.140 nan 8.270 nan 0.000 0.563 119 Y N 3.621 124.078 120.300 0.261 0.000 2.610 119 Y HA 0.027 4.577 4.550 0.001 0.000 0.332 119 Y C -1.657 174.259 175.900 0.027 0.000 1.201 119 Y CA -1.531 56.646 58.100 0.128 0.000 1.465 119 Y CB 0.830 39.433 38.460 0.240 0.000 1.283 119 Y HN -0.003 nan 8.280 nan 0.000 0.563 120 P HA 0.094 nan 4.420 nan 0.000 0.254 120 P C -0.782 175.944 177.300 -0.956 0.000 1.620 120 P CA 0.290 62.515 63.100 -1.459 0.000 1.050 120 P CB -0.473 29.803 31.700 -2.374 0.000 1.539 121 F N 1.291 121.184 119.950 -0.096 0.000 2.986 121 F HA 0.190 4.717 4.527 0.001 0.000 0.297 121 F C 1.011 176.859 175.800 0.080 0.000 1.210 121 F CA -0.785 57.181 58.000 -0.056 0.000 1.346 121 F CB -0.121 38.786 39.000 -0.156 0.000 1.007 121 F HN -0.027 nan 8.300 nan 0.000 0.512 122 D N -1.121 119.365 120.400 0.143 0.000 2.384 122 D HA 0.549 5.189 4.640 0.001 0.000 0.250 122 D C -0.403 176.016 176.300 0.198 0.000 1.029 122 D CA -0.531 53.583 54.000 0.191 0.000 0.990 122 D CB 1.965 42.883 40.800 0.196 0.000 1.175 122 D HN -0.055 nan 8.370 nan 0.000 0.532 123 S N -0.476 115.337 115.700 0.189 0.000 2.599 123 S HA 0.493 4.963 4.470 0.001 0.000 0.287 123 S C -0.787 173.895 174.600 0.137 0.000 1.105 123 S CA -0.846 57.477 58.200 0.204 0.000 0.899 123 S CB 2.169 65.450 63.200 0.135 0.000 1.100 123 S HN 0.400 nan 8.310 nan 0.000 0.482 124 Q N 0.719 120.568 119.800 0.082 0.000 2.456 124 Q HA 0.531 4.872 4.340 0.001 0.000 0.283 124 Q C -1.300 174.636 176.000 -0.107 0.000 1.084 124 Q CA -0.613 55.160 55.803 -0.050 0.000 0.801 124 Q CB 2.038 30.674 28.738 -0.169 0.000 1.434 124 Q HN 0.631 nan 8.270 nan 0.000 0.419 125 T N 1.777 116.254 114.554 -0.128 0.000 2.842 125 T HA 0.506 4.857 4.350 0.001 0.000 0.308 125 T C 0.240 174.729 174.700 -0.352 0.000 1.041 125 T CA -0.443 61.520 62.100 -0.229 0.000 0.964 125 T CB 0.154 68.902 68.868 -0.200 0.000 0.972 125 T HN 0.225 nan 8.240 nan 0.000 0.460 126 L N 4.070 125.055 121.223 -0.397 0.000 2.417 126 L HA 0.435 4.775 4.340 0.001 0.000 0.268 126 L C 0.546 177.172 176.870 -0.406 0.000 1.158 126 L CA -0.721 53.901 54.840 -0.363 0.000 0.819 126 L CB 0.404 42.070 42.059 -0.654 0.000 1.112 126 L HN 0.526 nan 8.230 nan 0.000 0.458 127 H N 3.545 122.613 119.070 -0.003 0.000 2.495 127 H HA 0.514 5.071 4.556 0.001 0.000 0.348 127 H C -0.684 174.606 175.328 -0.064 0.000 1.113 127 H CA -0.540 55.412 56.048 -0.161 0.000 1.195 127 H CB 2.516 31.966 29.762 -0.520 0.000 1.521 127 H HN 0.410 nan 8.280 nan 0.000 0.509 128 I N 3.712 124.343 120.570 0.102 0.000 2.382 128 I HA 0.124 4.294 4.170 0.001 0.000 0.286 128 I C -0.859 175.344 176.117 0.143 0.000 1.002 128 I CA -0.722 60.685 61.300 0.178 0.000 1.135 128 I CB 0.874 39.063 38.000 0.316 0.000 1.288 128 I HN 0.375 nan 8.210 nan 0.000 0.448 129 Y N 6.458 126.975 120.300 0.363 0.000 2.404 129 Y HA 0.385 4.935 4.550 0.001 0.000 0.344 129 Y C 0.209 176.233 175.900 0.206 0.000 0.970 129 Y CA -0.524 57.744 58.100 0.279 0.000 1.180 129 Y CB 0.710 39.282 38.460 0.187 0.000 1.138 129 Y HN 0.335 nan 8.280 nan 0.000 0.510 130 L N 5.352 126.742 121.223 0.278 0.000 2.349 130 L HA 0.434 4.774 4.340 0.001 0.000 0.275 130 L C -0.167 176.729 176.870 0.042 0.000 1.115 130 L CA -0.281 54.558 54.840 -0.002 0.000 0.820 130 L CB 1.236 43.291 42.059 -0.005 0.000 1.135 130 L HN 0.649 nan 8.230 nan 0.000 0.445 131 I N 2.665 123.197 120.570 -0.064 0.000 3.074 131 I HA 0.664 4.834 4.170 0.001 0.000 0.310 131 I C -1.411 174.644 176.117 -0.105 0.000 1.153 131 I CA -0.617 60.662 61.300 -0.034 0.000 0.993 131 I CB 2.702 40.712 38.000 0.016 0.000 1.237 131 I HN 0.311 nan 8.210 nan 0.000 0.443 132 V N 5.388 125.241 119.914 -0.102 0.000 3.048 132 V HA 0.584 4.705 4.120 0.001 0.000 0.303 132 V C -1.449 174.570 176.094 -0.126 0.000 1.214 132 V CA -0.554 61.670 62.300 -0.127 0.000 0.984 132 V CB 2.247 33.989 31.823 -0.136 0.000 1.054 132 V HN 0.856 nan 8.190 nan 0.000 0.430 133 R N 3.584 124.014 120.500 -0.117 0.000 2.589 133 R HA 0.727 5.067 4.340 0.001 0.000 0.293 133 R C -0.592 175.658 176.300 -0.084 0.000 0.963 133 R CA -0.336 55.694 56.100 -0.116 0.000 0.905 133 R CB 1.978 32.217 30.300 -0.102 0.000 1.144 133 R HN 0.723 nan 8.270 nan 0.000 0.459 134 S N 2.132 117.780 115.700 -0.086 0.000 2.592 134 S HA 0.219 4.689 4.470 0.001 0.000 0.271 134 S C 0.362 174.939 174.600 -0.038 0.000 1.326 134 S CA -0.659 57.507 58.200 -0.057 0.000 1.024 134 S CB 1.224 64.383 63.200 -0.068 0.000 0.921 134 S HN 0.478 nan 8.310 nan 0.000 0.527 135 V N 0.221 120.125 119.914 -0.017 0.000 3.513 135 V HA 0.399 4.520 4.120 0.001 0.000 0.297 135 V C 1.308 177.385 176.094 -0.029 0.000 1.058 135 V CA -0.496 61.799 62.300 -0.009 0.000 1.003 135 V CB 0.460 32.297 31.823 0.024 0.000 1.236 135 V HN 0.869 nan 8.190 nan 0.000 0.436 136 D N 0.351 120.735 120.400 -0.026 0.000 2.123 136 D HA -0.145 4.495 4.640 0.001 0.000 0.200 136 D C 1.878 178.152 176.300 -0.044 0.000 0.976 136 D CA 2.014 55.995 54.000 -0.033 0.000 0.831 136 D CB 0.126 40.910 40.800 -0.026 0.000 0.974 136 D HN 0.909 nan 8.370 nan 0.000 0.469 137 T N -1.385 113.136 114.554 -0.056 0.000 3.118 137 T HA 0.012 4.363 4.350 0.001 0.000 0.260 137 T C 1.083 175.734 174.700 -0.081 0.000 1.139 137 T CA -0.112 61.947 62.100 -0.070 0.000 1.085 137 T CB 0.273 69.089 68.868 -0.087 0.000 0.934 137 T HN 0.303 nan 8.240 nan 0.000 0.518 138 R N -0.785 119.667 120.500 -0.079 0.000 2.828 138 R HA 0.323 4.664 4.340 0.001 0.000 0.280 138 R C -2.348 173.914 176.300 -0.065 0.000 1.020 138 R CA -0.951 55.102 56.100 -0.079 0.000 0.855 138 R CB 0.277 30.515 30.300 -0.103 0.000 1.278 138 R HN -0.119 nan 8.270 nan 0.000 0.495 139 N N 1.600 120.267 118.700 -0.056 0.000 2.434 139 N HA 0.427 5.168 4.740 0.001 0.000 0.272 139 N C -0.500 174.986 175.510 -0.040 0.000 1.040 139 N CA -0.331 52.690 53.050 -0.049 0.000 0.956 139 N CB 0.982 39.441 38.487 -0.047 0.000 1.108 139 N HN 0.413 nan 8.380 nan 0.000 0.481 140 I N 0.744 121.293 120.570 -0.035 0.000 2.460 140 I HA 0.531 4.701 4.170 0.001 0.000 0.298 140 I C -0.199 175.901 176.117 -0.030 0.000 0.989 140 I CA -1.071 60.218 61.300 -0.018 0.000 1.173 140 I CB 1.701 39.706 38.000 0.007 0.000 1.338 140 I HN -0.052 nan 8.210 nan 0.000 0.456 141 V N 6.110 126.017 119.914 -0.011 0.000 2.888 141 V HA 0.445 4.565 4.120 0.001 0.000 0.309 141 V C -0.318 175.783 176.094 0.011 0.000 1.114 141 V CA -0.527 61.769 62.300 -0.008 0.000 0.940 141 V CB 2.860 34.681 31.823 -0.002 0.000 1.021 141 V HN 0.493 nan 8.190 nan 0.000 0.426 142 L N 3.915 125.147 121.223 0.015 0.000 2.343 142 L HA 0.911 5.251 4.340 0.001 0.000 0.275 142 L C 0.225 177.124 176.870 0.049 0.000 1.056 142 L CA -0.264 54.597 54.840 0.036 0.000 0.804 142 L CB 1.711 43.794 42.059 0.041 0.000 1.203 142 L HN 0.781 nan 8.230 nan 0.000 0.440 143 A N 2.205 125.065 122.820 0.066 0.000 2.532 143 A HA 0.783 5.104 4.320 0.001 0.000 0.290 143 A C -1.194 176.438 177.584 0.079 0.000 1.143 143 A CA -0.505 51.567 52.037 0.059 0.000 0.728 143 A CB 1.911 20.942 19.000 0.053 0.000 1.317 143 A HN 0.326 nan 8.150 nan 0.000 0.414 144 V N 2.117 122.059 119.914 0.047 0.000 2.350 144 V HA 0.280 4.401 4.120 0.001 0.000 0.276 144 V C -0.536 175.597 176.094 0.065 0.000 1.028 144 V CA -0.384 61.947 62.300 0.053 0.000 0.860 144 V CB 1.248 33.037 31.823 -0.056 0.000 0.990 144 V HN 0.852 nan 8.190 nan 0.000 0.453 145 D N 4.814 125.277 120.400 0.105 0.000 2.422 145 D HA 0.183 4.823 4.640 0.001 0.000 0.227 145 D C 1.056 177.413 176.300 0.096 0.000 1.190 145 D CA -0.116 53.939 54.000 0.091 0.000 0.905 145 D CB 1.016 41.877 40.800 0.101 0.000 1.034 145 D HN 0.448 nan 8.370 nan 0.000 0.507 146 L N 2.694 123.955 121.223 0.064 0.000 2.263 146 L HA -0.175 4.166 4.340 0.001 0.000 0.216 146 L C 2.043 178.967 176.870 0.092 0.000 1.111 146 L CA 0.880 55.759 54.840 0.064 0.000 0.773 146 L CB -0.244 41.837 42.059 0.035 0.000 0.906 146 L HN 0.384 nan 8.230 nan 0.000 0.439 147 E N 0.576 120.827 120.200 0.085 0.000 2.331 147 E HA -0.187 4.164 4.350 0.001 0.000 0.199 147 E C 1.259 177.930 176.600 0.118 0.000 1.008 147 E CA 1.222 57.674 56.400 0.086 0.000 0.843 147 E CB 0.139 29.878 29.700 0.064 0.000 0.761 147 E HN 0.305 nan 8.360 nan 0.000 0.507 148 K N -0.935 119.559 120.400 0.156 0.000 2.564 148 K HA 0.226 4.546 4.320 0.001 0.000 0.201 148 K C -1.219 175.567 176.600 0.309 0.000 1.086 148 K CA -0.170 56.236 56.287 0.198 0.000 1.062 148 K CB 1.740 34.337 32.500 0.162 0.000 0.849 148 K HN -0.149 nan 8.250 nan 0.000 0.529 149 V N 0.845 120.940 119.914 0.301 0.000 2.394 149 V HA 0.718 4.838 4.120 0.001 0.000 0.282 149 V C 0.465 176.799 176.094 0.400 0.000 1.031 149 V CA -0.447 62.070 62.300 0.361 0.000 0.881 149 V CB 1.325 33.273 31.823 0.209 0.000 0.982 149 V HN 0.465 nan 8.190 nan 0.000 0.451 150 G N 4.558 113.672 108.800 0.523 0.000 2.428 150 G HA2 0.646 4.607 3.960 0.001 0.000 0.305 150 G HA3 0.646 4.607 3.960 0.001 0.000 0.305 150 G C -1.561 173.301 174.900 -0.063 0.000 1.260 150 G CA -0.524 44.799 45.100 0.371 0.000 0.853 150 G HN 0.763 nan 8.290 nan 0.000 0.480 151 K N -0.533 119.640 120.400 -0.378 0.000 2.562 151 K HA 0.465 4.786 4.320 0.001 0.000 0.267 151 K C -1.126 175.197 176.600 -0.462 0.000 0.938 151 K CA -0.793 55.095 56.287 -0.664 0.000 0.840 151 K CB 1.937 34.241 32.500 -0.326 0.000 1.390 151 K HN 0.793 nan 8.250 nan 0.000 0.428 152 N N 0.795 119.260 118.700 -0.391 0.000 2.467 152 N HA 0.017 4.757 4.740 0.001 0.000 0.262 152 N C 0.067 175.576 175.510 -0.002 0.000 1.234 152 N CA 0.171 53.214 53.050 -0.013 0.000 0.952 152 N CB 0.665 39.222 38.487 0.117 0.000 1.158 152 N HN 0.524 nan 8.380 nan 0.000 0.463 153 D N -0.204 120.227 120.400 0.052 0.000 2.178 153 D HA -0.125 4.516 4.640 0.001 0.000 0.202 153 D C 0.321 176.647 176.300 0.043 0.000 0.974 153 D CA 1.150 55.176 54.000 0.044 0.000 0.841 153 D CB -0.196 40.634 40.800 0.051 0.000 0.953 153 D HN 0.644 nan 8.370 nan 0.000 0.478 154 D N 0.515 120.944 120.400 0.048 0.000 2.371 154 D HA -0.041 4.599 4.640 0.001 0.000 0.221 154 D C 0.550 176.941 176.300 0.152 0.000 0.986 154 D CA 0.046 54.088 54.000 0.069 0.000 0.899 154 D CB 0.110 40.943 40.800 0.054 0.000 0.902 154 D HN 0.035 nan 8.370 nan 0.000 0.530 155 V N 3.045 123.013 119.914 0.089 0.000 2.420 155 V HA -0.050 4.071 4.120 0.001 0.000 0.274 155 V C -0.027 176.152 176.094 0.142 0.000 1.003 155 V CA 0.163 62.505 62.300 0.071 0.000 1.092 155 V CB -1.322 30.456 31.823 -0.075 0.000 1.002 155 V HN 0.018 nan 8.190 nan 0.000 0.473 156 F N 5.367 125.306 119.950 -0.018 0.000 2.508 156 F HA 0.820 5.347 4.527 0.001 0.000 0.325 156 F C -1.029 174.791 175.800 0.033 0.000 1.090 156 F CA -2.183 55.821 58.000 0.007 0.000 0.945 156 F CB 1.479 40.483 39.000 0.007 0.000 1.156 156 F HN 0.248 nan 8.300 nan 0.000 0.463 157 L N 3.826 124.966 121.223 -0.139 0.000 2.345 157 L HA 0.452 4.792 4.340 0.001 0.000 0.274 157 L C -0.185 176.717 176.870 0.054 0.000 0.999 157 L CA -0.061 54.658 54.840 -0.202 0.000 0.849 157 L CB 1.152 43.133 42.059 -0.129 0.000 1.220 157 L HN 0.864 nan 8.230 nan 0.000 0.422 158 T N 4.578 119.133 114.554 0.002 0.000 2.765 158 T HA 0.313 4.664 4.350 0.001 0.000 0.275 158 T C 1.192 176.044 174.700 0.254 0.000 1.007 158 T CA 1.457 63.674 62.100 0.195 0.000 1.175 158 T CB -0.173 68.802 68.868 0.178 0.000 0.993 158 T HN 1.150 nan 8.240 nan 0.000 0.510 159 G N 2.643 111.530 108.800 0.146 0.000 2.176 159 G HA2 -0.213 3.748 3.960 0.001 0.000 0.253 159 G HA3 -0.213 3.748 3.960 0.001 0.000 0.253 159 G C -0.235 174.483 174.900 -0.303 0.000 0.979 159 G CA -0.300 44.778 45.100 -0.037 0.000 0.641 159 G HN 0.676 nan 8.290 nan 0.000 0.530 160 W N 0.309 121.634 121.300 0.042 0.000 2.936 160 W HA 0.648 5.308 4.660 0.001 0.000 0.338 160 W C -0.705 175.822 176.519 0.012 0.000 1.121 160 W CA -0.885 56.471 57.345 0.020 0.000 1.209 160 W CB 1.322 30.771 29.460 -0.018 0.000 1.420 160 W HN -0.091 nan 8.180 nan 0.000 0.516 161 D N 2.186 122.735 120.400 0.249 0.000 2.193 161 D HA 0.371 5.011 4.640 0.001 0.000 0.244 161 D C -0.342 176.043 176.300 0.143 0.000 1.064 161 D CA -0.298 53.795 54.000 0.156 0.000 0.845 161 D CB 1.626 42.491 40.800 0.108 0.000 1.148 161 D HN 0.166 nan 8.370 nan 0.000 0.464 162 I N 2.548 123.170 120.570 0.087 0.000 2.322 162 I HA 0.025 4.196 4.170 0.001 0.000 0.292 162 I C 1.375 177.517 176.117 0.043 0.000 1.060 162 I CA -0.208 61.115 61.300 0.039 0.000 1.309 162 I CB 1.103 39.102 38.000 -0.001 0.000 1.415 162 I HN 0.248 nan 8.210 nan 0.000 0.492 163 E N 3.441 123.666 120.200 0.042 0.000 2.051 163 E HA -0.024 4.326 4.350 0.001 0.000 0.189 163 E C 0.128 176.755 176.600 0.044 0.000 0.979 163 E CA 0.806 57.233 56.400 0.044 0.000 0.803 163 E CB 0.322 30.048 29.700 0.043 0.000 0.761 163 E HN 0.757 nan 8.360 nan 0.000 0.451 164 S N -1.540 114.189 115.700 0.049 0.000 2.586 164 S HA 0.442 4.912 4.470 0.001 0.000 0.277 164 S C -1.645 173.048 174.600 0.155 0.000 1.131 164 S CA -1.005 57.243 58.200 0.080 0.000 0.848 164 S CB 0.603 63.834 63.200 0.051 0.000 1.091 164 S HN 0.031 nan 8.310 nan 0.000 0.453 165 F N 2.668 122.610 119.950 -0.013 0.000 2.500 165 F HA 0.714 5.241 4.527 0.001 0.000 0.349 165 F C -0.129 175.694 175.800 0.038 0.000 1.127 165 F CA 0.251 58.253 58.000 0.004 0.000 0.998 165 F CB 1.538 40.542 39.000 0.006 0.000 1.237 165 F HN 1.085 nan 8.300 nan 0.000 0.439 166 T N 2.303 116.674 114.554 -0.305 0.000 2.883 166 T HA 0.928 5.278 4.350 0.001 0.000 0.296 166 T C -1.080 173.359 174.700 -0.435 0.000 1.117 166 T CA -0.802 61.113 62.100 -0.308 0.000 1.006 166 T CB 1.693 70.475 68.868 -0.143 0.000 1.191 166 T HN 0.832 nan 8.240 nan 0.000 0.508 167 A N 1.266 123.825 122.820 -0.435 0.000 2.350 167 A HA 0.724 5.044 4.320 0.001 0.000 0.324 167 A C -0.163 177.227 177.584 -0.323 0.000 1.118 167 A CA -0.853 50.828 52.037 -0.594 0.000 0.783 167 A CB 1.339 19.677 19.000 -1.104 0.000 1.236 167 A HN 0.951 nan 8.150 nan 0.000 0.457 168 V N 3.777 123.549 119.914 -0.237 0.000 2.446 168 V HA 0.056 4.176 4.120 0.001 0.000 0.276 168 V C 1.743 177.762 176.094 -0.125 0.000 1.030 168 V CA 0.608 62.835 62.300 -0.121 0.000 1.033 168 V CB 0.605 32.404 31.823 -0.040 0.000 0.993 168 V HN 0.957 nan 8.190 nan 0.000 0.477 169 V N 2.401 122.259 119.914 -0.092 0.000 2.626 169 V HA -0.012 4.108 4.120 0.001 0.000 0.252 169 V C 1.120 177.192 176.094 -0.036 0.000 1.067 169 V CA 1.036 63.292 62.300 -0.073 0.000 1.081 169 V CB -0.516 31.280 31.823 -0.046 0.000 0.686 169 V HN 0.673 nan 8.190 nan 0.000 0.468 170 K N 2.895 123.284 120.400 -0.019 0.000 2.253 170 K HA 0.442 4.763 4.320 0.001 0.000 0.277 170 K C -2.451 174.161 176.600 0.020 0.000 1.053 170 K CA -2.421 53.867 56.287 0.003 0.000 0.892 170 K CB 0.822 33.325 32.500 0.006 0.000 1.102 170 K HN 0.294 nan 8.250 nan 0.000 0.469 171 P HA 0.033 nan 4.420 nan 0.000 0.269 171 P C -1.111 176.234 177.300 0.075 0.000 1.217 171 P CA -0.393 62.743 63.100 0.059 0.000 0.783 171 P CB 0.828 32.559 31.700 0.052 0.000 0.898 172 A N 2.567 125.456 122.820 0.114 0.000 2.276 172 A HA 0.372 4.692 4.320 0.001 0.000 0.300 172 A C -0.046 177.675 177.584 0.228 0.000 1.235 172 A CA -0.494 51.629 52.037 0.145 0.000 0.867 172 A CB -0.311 18.762 19.000 0.123 0.000 1.137 172 A HN 0.462 nan 8.150 nan 0.000 0.527 173 N N 1.753 120.562 118.700 0.182 0.000 2.400 173 N HA 0.765 5.505 4.740 0.001 0.000 0.288 173 N C -0.835 174.795 175.510 0.199 0.000 1.024 173 N CA -0.003 53.114 53.050 0.111 0.000 0.894 173 N CB 1.282 39.783 38.487 0.023 0.000 1.173 173 N HN 0.623 nan 8.380 nan 0.000 0.487 174 F N -1.097 118.839 119.950 -0.024 0.000 2.779 174 F HA 0.819 5.346 4.527 0.001 0.000 0.316 174 F C -1.134 174.651 175.800 -0.025 0.000 1.164 174 F CA -1.561 56.424 58.000 -0.026 0.000 0.924 174 F CB 0.753 39.734 39.000 -0.033 0.000 1.348 174 F HN 0.332 nan 8.300 nan 0.000 0.467 175 A N 1.659 124.508 122.820 0.049 0.000 2.301 175 A HA 0.792 5.113 4.320 0.001 0.000 0.312 175 A C -1.693 175.920 177.584 0.047 0.000 1.182 175 A CA -0.645 51.369 52.037 -0.039 0.000 0.826 175 A CB 1.310 20.318 19.000 0.014 0.000 1.134 175 A HN 1.150 nan 8.150 nan 0.000 0.501 176 L N 1.449 122.646 121.223 -0.043 0.000 2.504 176 L HA 0.441 4.781 4.340 0.001 0.000 0.265 176 L C -0.131 176.738 176.870 -0.001 0.000 0.975 176 L CA 0.176 55.038 54.840 0.036 0.000 0.864 176 L CB 0.541 42.642 42.059 0.070 0.000 1.212 176 L HN 0.949 nan 8.230 nan 0.000 0.416 177 E N 3.779 123.987 120.200 0.013 0.000 2.230 177 E HA -0.257 4.094 4.350 0.001 0.000 0.206 177 E C -0.375 176.216 176.600 -0.015 0.000 1.309 177 E CA 0.884 57.283 56.400 -0.001 0.000 0.697 177 E CB -0.748 28.950 29.700 -0.003 0.000 1.146 177 E HN 0.885 nan 8.360 nan 0.000 0.363 178 D N -0.694 119.697 120.400 -0.015 0.000 2.911 178 D HA -0.214 4.427 4.640 0.001 0.000 0.227 178 D C -0.244 176.034 176.300 -0.037 0.000 1.164 178 D CA 1.271 55.257 54.000 -0.022 0.000 0.782 178 D CB -0.067 40.723 40.800 -0.017 0.000 1.094 178 D HN 0.290 nan 8.370 nan 0.000 0.425 179 R N -0.302 120.165 120.500 -0.055 0.000 2.740 179 R HA 0.494 4.834 4.340 0.001 0.000 0.273 179 R C -0.302 175.924 176.300 -0.124 0.000 0.998 179 R CA -0.864 55.190 56.100 -0.077 0.000 0.900 179 R CB 1.429 31.686 30.300 -0.072 0.000 1.223 179 R HN 0.035 nan 8.270 nan 0.000 0.466 180 L N 1.030 122.173 121.223 -0.133 0.000 2.371 180 L HA 0.296 4.637 4.340 0.001 0.000 0.272 180 L C -0.237 176.475 176.870 -0.264 0.000 1.124 180 L CA 0.220 54.945 54.840 -0.192 0.000 0.816 180 L CB 0.750 42.729 42.059 -0.133 0.000 1.129 180 L HN 0.576 nan 8.230 nan 0.000 0.448 181 E N 2.004 121.926 120.200 -0.463 0.000 2.224 181 E HA 0.346 4.696 4.350 0.001 0.000 0.265 181 E C -1.542 174.763 176.600 -0.491 0.000 0.878 181 E CA -0.355 55.730 56.400 -0.524 0.000 0.759 181 E CB 1.774 31.035 29.700 -0.732 0.000 1.164 181 E HN 0.453 nan 8.360 nan 0.000 0.414 182 S N 4.072 119.633 115.700 -0.231 0.000 2.474 182 S HA 0.393 4.864 4.470 0.001 0.000 0.321 182 S C -1.066 173.533 174.600 -0.002 0.000 1.080 182 S CA -0.729 57.416 58.200 -0.092 0.000 1.106 182 S CB 0.251 63.418 63.200 -0.056 0.000 0.984 182 S HN 0.455 nan 8.310 nan 0.000 0.464 183 K N 5.567 126.028 120.400 0.102 0.000 2.345 183 K HA 0.597 4.918 4.320 0.001 0.000 0.255 183 K C -1.433 175.276 176.600 0.180 0.000 0.934 183 K CA -0.732 55.655 56.287 0.166 0.000 0.801 183 K CB 0.945 33.604 32.500 0.266 0.000 1.137 183 K HN 0.578 nan 8.250 nan 0.000 0.424 184 L N 2.513 123.866 121.223 0.217 0.000 2.334 184 L HA 0.358 4.698 4.340 0.001 0.000 0.273 184 L C -0.805 176.269 176.870 0.340 0.000 1.013 184 L CA -0.929 54.042 54.840 0.217 0.000 0.816 184 L CB 1.875 44.064 42.059 0.216 0.000 1.278 184 L HN 0.752 nan 8.230 nan 0.000 0.431 185 D N 1.817 122.344 120.400 0.212 0.000 2.464 185 D HA 0.214 4.854 4.640 0.001 0.000 0.243 185 D C -1.093 175.213 176.300 0.010 0.000 1.104 185 D CA -0.245 53.882 54.000 0.213 0.000 0.883 185 D CB 0.369 41.344 40.800 0.291 0.000 1.050 185 D HN 0.132 nan 8.370 nan 0.000 0.524 186 Y N 1.829 122.119 120.300 -0.017 0.000 2.335 186 Y HA 0.262 4.813 4.550 0.001 0.000 0.331 186 Y C 0.844 176.691 175.900 -0.090 0.000 1.094 186 Y CA -0.197 57.843 58.100 -0.099 0.000 1.253 186 Y CB 1.035 39.487 38.460 -0.013 0.000 1.203 186 Y HN 0.118 nan 8.280 nan 0.000 0.508 187 Q N 3.982 123.742 119.800 -0.068 0.000 2.331 187 Q HA 0.464 4.804 4.340 0.001 0.000 0.267 187 Q C -1.596 174.430 176.000 0.044 0.000 1.006 187 Q CA -1.182 54.554 55.803 -0.112 0.000 0.818 187 Q CB 2.768 31.408 28.738 -0.163 0.000 1.276 187 Q HN 0.491 nan 8.270 nan 0.000 0.450 188 L N 2.446 123.675 121.223 0.010 0.000 2.319 188 L HA 0.447 4.788 4.340 0.001 0.000 0.281 188 L C -1.050 175.740 176.870 -0.133 0.000 1.005 188 L CA -0.222 54.650 54.840 0.054 0.000 0.828 188 L CB 1.333 43.346 42.059 -0.077 0.000 1.227 188 L HN 0.499 nan 8.230 nan 0.000 0.415 189 R N 6.121 126.584 120.500 -0.063 0.000 2.229 189 R HA 0.720 5.060 4.340 0.001 0.000 0.328 189 R C -0.745 175.527 176.300 -0.047 0.000 1.009 189 R CA -0.324 55.736 56.100 -0.067 0.000 0.864 189 R CB 0.813 31.099 30.300 -0.023 0.000 1.085 189 R HN 0.806 nan 8.270 nan 0.000 0.453 190 I N -0.767 119.776 120.570 -0.046 0.000 2.969 190 I HA 0.669 4.840 4.170 0.001 0.000 0.307 190 I C -0.739 175.506 176.117 0.212 0.000 1.149 190 I CA -0.884 60.444 61.300 0.046 0.000 1.008 190 I CB 2.588 40.529 38.000 -0.097 0.000 1.232 190 I HN 0.524 nan 8.210 nan 0.000 0.435 191 S N 2.560 118.459 115.700 0.332 0.000 2.549 191 S HA 0.569 5.040 4.470 0.001 0.000 0.280 191 S C -0.718 174.045 174.600 0.271 0.000 1.109 191 S CA -0.969 57.444 58.200 0.355 0.000 0.905 191 S CB 2.060 65.386 63.200 0.209 0.000 1.081 191 S HN 0.946 nan 8.310 nan 0.000 0.477 192 R N 1.144 121.619 120.500 -0.042 0.000 2.438 192 R HA 0.197 4.537 4.340 0.001 0.000 0.287 192 R C -0.457 175.687 176.300 -0.259 0.000 1.077 192 R CA -0.175 55.544 56.100 -0.634 0.000 1.034 192 R CB 0.394 30.169 30.300 -0.874 0.000 0.993 192 R HN 0.765 nan 8.270 nan 0.000 0.459 193 Q N 4.442 124.060 119.800 -0.304 0.000 2.344 193 Q HA 0.047 4.387 4.340 0.001 0.000 0.253 193 Q C -0.337 175.572 176.000 -0.153 0.000 1.050 193 Q CA -0.177 55.501 55.803 -0.208 0.000 0.912 193 Q CB 0.498 29.142 28.738 -0.156 0.000 1.258 193 Q HN 0.720 nan 8.270 nan 0.000 0.443 194 Y N 0.136 120.417 120.300 -0.031 0.000 2.523 194 Y HA 0.019 4.570 4.550 0.001 0.000 0.279 194 Y C 1.413 177.397 175.900 0.140 0.000 1.139 194 Y CA -0.493 57.547 58.100 -0.099 0.000 1.296 194 Y CB -0.266 37.991 38.460 -0.339 0.000 1.045 194 Y HN 0.596 nan 8.280 nan 0.000 0.538 195 F N 2.841 122.591 119.950 -0.333 0.000 2.045 195 F HA -0.383 4.144 4.527 0.001 0.000 0.297 195 F C 2.655 178.453 175.800 -0.004 0.000 1.114 195 F CA 2.790 60.692 58.000 -0.162 0.000 1.207 195 F CB -0.794 38.074 39.000 -0.220 0.000 0.964 195 F HN 0.223 nan 8.300 nan 0.000 0.486 196 S N -1.199 114.677 115.700 0.293 0.000 2.423 196 S HA -0.232 4.238 4.470 0.001 0.000 0.231 196 S C 1.883 176.411 174.600 -0.119 0.000 1.014 196 S CA 1.053 59.311 58.200 0.098 0.000 0.965 196 S CB -1.495 61.716 63.200 0.018 0.000 0.785 196 S HN 0.577 nan 8.310 nan 0.000 0.495 197 Y N 1.706 121.952 120.300 -0.091 0.000 2.384 197 Y HA 0.008 4.558 4.550 0.001 0.000 0.289 197 Y C 2.135 177.951 175.900 -0.140 0.000 1.152 197 Y CA 0.906 58.928 58.100 -0.130 0.000 1.258 197 Y CB -0.616 37.709 38.460 -0.224 0.000 0.979 197 Y HN 0.281 nan 8.280 nan 0.000 0.549 198 I N 0.564 121.123 120.570 -0.019 0.000 2.110 198 I HA -0.208 3.962 4.170 0.001 0.000 0.236 198 I C -0.388 175.636 176.117 -0.156 0.000 1.068 198 I CA 1.080 62.323 61.300 -0.095 0.000 1.333 198 I CB -1.453 36.460 38.000 -0.145 0.000 1.054 198 I HN 0.097 nan 8.210 nan 0.000 0.402 199 P HA -0.058 nan 4.420 nan 0.000 0.220 199 P C 0.918 178.165 177.300 -0.089 0.000 1.152 199 P CA 1.400 64.428 63.100 -0.119 0.000 0.812 199 P CB -0.155 31.494 31.700 -0.084 0.000 0.792 200 N N -0.649 117.997 118.700 -0.091 0.000 2.300 200 N HA 0.047 4.788 4.740 0.001 0.000 0.179 200 N C 1.758 177.232 175.510 -0.060 0.000 1.016 200 N CA 0.965 53.983 53.050 -0.053 0.000 0.876 200 N CB 0.195 38.631 38.487 -0.085 0.000 0.979 200 N HN 0.277 nan 8.380 nan 0.000 0.432 201 I N -0.826 119.652 120.570 -0.154 0.000 3.814 201 I HA 0.106 4.277 4.170 0.001 0.000 0.264 201 I C 1.661 177.529 176.117 -0.415 0.000 1.145 201 I CA -0.064 61.072 61.300 -0.273 0.000 1.375 201 I CB 0.406 38.379 38.000 -0.045 0.000 1.638 201 I HN -0.173 nan 8.210 nan 0.000 0.432 202 I N 1.256 121.683 120.570 -0.240 0.000 2.113 202 I HA -0.292 3.878 4.170 0.001 0.000 0.238 202 I C 2.417 178.307 176.117 -0.378 0.000 1.070 202 I CA 1.765 62.920 61.300 -0.241 0.000 1.332 202 I CB -0.298 37.638 38.000 -0.107 0.000 1.044 202 I HN 0.184 nan 8.210 nan 0.000 0.402 203 L N 0.284 121.264 121.223 -0.405 0.000 2.017 203 L HA -0.150 4.190 4.340 0.001 0.000 0.208 203 L C -0.181 176.199 176.870 -0.817 0.000 1.073 203 L CA 1.707 56.151 54.840 -0.660 0.000 0.745 203 L CB -2.043 39.652 42.059 -0.605 0.000 0.894 203 L HN 0.148 nan 8.230 nan 0.000 0.432 204 P HA -0.259 nan 4.420 nan 0.000 0.216 204 P C 1.857 178.889 177.300 -0.446 0.000 1.157 204 P CA 1.749 64.647 63.100 -0.336 0.000 0.880 204 P CB -0.062 31.402 31.700 -0.393 0.000 0.791 205 M N -1.444 117.736 119.600 -0.700 0.000 2.159 205 M HA -0.161 4.320 4.480 0.001 0.000 0.263 205 M C 1.793 177.828 176.300 -0.442 0.000 1.063 205 M CA 1.834 56.835 55.300 -0.499 0.000 1.110 205 M CB -0.558 31.773 32.600 -0.448 0.000 1.374 205 M HN -0.133 nan 8.290 nan 0.000 0.411 206 L N -0.550 120.304 121.223 -0.615 0.000 2.027 206 L HA -0.181 4.160 4.340 0.001 0.000 0.206 206 L C 2.362 178.573 176.870 -1.099 0.000 1.074 206 L CA 1.019 55.276 54.840 -0.972 0.000 0.745 206 L CB -0.890 40.586 42.059 -0.972 0.000 0.898 206 L HN 0.230 nan 8.230 nan 0.000 0.433 207 F N 0.889 120.479 119.950 -0.600 0.000 2.087 207 F HA -0.279 4.248 4.527 0.001 0.000 0.299 207 F C 2.502 178.119 175.800 -0.305 0.000 1.100 207 F CA 1.713 59.506 58.000 -0.346 0.000 1.226 207 F CB -1.133 37.769 39.000 -0.163 0.000 0.983 207 F HN 0.095 nan 8.300 nan 0.000 0.479 208 I N -2.060 118.479 120.570 -0.052 0.000 2.252 208 I HA -0.193 3.978 4.170 0.001 0.000 0.245 208 I C 2.357 178.366 176.117 -0.179 0.000 1.102 208 I CA 1.225 62.502 61.300 -0.038 0.000 1.385 208 I CB -0.995 37.050 38.000 0.077 0.000 1.064 208 I HN 0.110 nan 8.210 nan 0.000 0.414 209 L N 0.911 121.887 121.223 -0.412 0.000 2.013 209 L HA -0.207 4.133 4.340 0.001 0.000 0.212 209 L C 2.343 178.644 176.870 -0.949 0.000 1.073 209 L CA 2.090 56.461 54.840 -0.782 0.000 0.753 209 L CB -0.865 40.542 42.059 -1.086 0.000 0.890 209 L HN 0.169 nan 8.230 nan 0.000 0.432 210 F N -0.163 119.315 119.950 -0.787 0.000 2.102 210 F HA -0.167 4.361 4.527 0.001 0.000 0.298 210 F C 2.536 178.142 175.800 -0.323 0.000 1.105 210 F CA 1.020 58.649 58.000 -0.619 0.000 1.239 210 F CB -1.242 37.611 39.000 -0.246 0.000 0.991 210 F HN 0.064 nan 8.300 nan 0.000 0.474 211 I N 0.190 120.742 120.570 -0.031 0.000 2.236 211 I HA -0.396 3.774 4.170 0.001 0.000 0.249 211 I C 2.657 178.732 176.117 -0.071 0.000 1.102 211 I CA 1.840 63.119 61.300 -0.034 0.000 1.365 211 I CB -0.679 37.303 38.000 -0.029 0.000 1.051 211 I HN 0.234 nan 8.210 nan 0.000 0.420 212 S N 0.307 115.907 115.700 -0.166 0.000 2.383 212 S HA -0.214 4.256 4.470 0.001 0.000 0.229 212 S C 1.681 176.189 174.600 -0.152 0.000 1.030 212 S CA 0.929 59.036 58.200 -0.156 0.000 1.002 212 S CB -0.550 62.528 63.200 -0.203 0.000 0.829 212 S HN 0.499 nan 8.310 nan 0.000 0.467 213 W N 2.872 124.041 121.300 -0.219 0.000 2.937 213 W HA 0.180 4.841 4.660 0.001 0.000 0.245 213 W C 2.623 179.037 176.519 -0.174 0.000 1.306 213 W CA 0.746 57.865 57.345 -0.377 0.000 1.470 213 W CB -1.677 27.854 29.460 0.118 0.000 1.132 213 W HN 0.644 nan 8.180 nan 0.000 0.675 214 T N -2.353 112.291 114.554 0.150 0.000 2.977 214 T HA -0.036 4.314 4.350 0.001 0.000 0.271 214 T C 1.968 176.754 174.700 0.144 0.000 1.105 214 T CA 1.273 63.502 62.100 0.215 0.000 1.116 214 T CB -0.289 68.621 68.868 0.070 0.000 0.878 214 T HN 0.002 nan 8.240 nan 0.000 0.509 215 A N 1.140 123.880 122.820 -0.134 0.000 2.019 215 A HA 0.118 4.439 4.320 0.001 0.000 0.219 215 A C 1.716 179.241 177.584 -0.098 0.000 1.164 215 A CA 0.948 52.886 52.037 -0.165 0.000 0.644 215 A CB -1.082 17.742 19.000 -0.294 0.000 0.805 215 A HN 0.553 nan 8.150 nan 0.000 0.449 216 F N -2.011 117.979 119.950 0.067 0.000 2.641 216 F HA -0.069 4.458 4.527 0.001 0.000 0.298 216 F C 1.461 177.084 175.800 -0.295 0.000 1.146 216 F CA -0.194 57.680 58.000 -0.211 0.000 1.464 216 F CB -0.434 38.267 39.000 -0.498 0.000 1.101 216 F HN 0.464 nan 8.300 nan 0.000 0.585 217 W N -0.095 121.275 121.300 0.118 0.000 2.966 217 W HA 0.339 5.000 4.660 0.001 0.000 0.406 217 W C 0.456 177.006 176.519 0.052 0.000 1.027 217 W CA -0.111 57.282 57.345 0.081 0.000 1.930 217 W CB 0.277 29.776 29.460 0.065 0.000 1.144 217 W HN -0.169 nan 8.180 nan 0.000 0.626 218 S N 0.097 115.911 115.700 0.190 0.000 2.532 218 S HA 0.308 4.778 4.470 0.001 0.000 0.299 218 S C 0.792 175.454 174.600 0.105 0.000 1.105 218 S CA -0.262 58.018 58.200 0.133 0.000 1.018 218 S CB 1.466 64.729 63.200 0.105 0.000 1.021 218 S HN 0.094 nan 8.310 nan 0.000 0.483 219 T N 0.798 115.409 114.554 0.095 0.000 3.144 219 T HA 0.193 4.543 4.350 0.001 0.000 0.249 219 T C 0.705 175.477 174.700 0.120 0.000 1.089 219 T CA -0.109 62.048 62.100 0.094 0.000 0.989 219 T CB -0.097 68.813 68.868 0.070 0.000 0.992 219 T HN 0.475 nan 8.240 nan 0.000 0.540 220 S N 1.138 116.907 115.700 0.115 0.000 2.411 220 S HA 0.233 4.704 4.470 0.001 0.000 0.304 220 S C 0.768 175.465 174.600 0.162 0.000 1.098 220 S CA -0.869 57.404 58.200 0.123 0.000 1.068 220 S CB -0.128 63.116 63.200 0.074 0.000 1.032 220 S HN 0.372 nan 8.310 nan 0.000 0.511 221 Y N 5.224 125.560 120.300 0.059 0.000 2.081 221 Y HA -0.210 4.341 4.550 0.001 0.000 0.280 221 Y C 1.717 177.580 175.900 -0.061 0.000 1.163 221 Y CA 2.558 60.643 58.100 -0.025 0.000 1.135 221 Y CB -0.519 37.826 38.460 -0.191 0.000 0.970 221 Y HN 0.707 nan 8.280 nan 0.000 0.498 222 E N 0.202 120.341 120.200 -0.102 0.000 2.038 222 E HA -0.180 4.170 4.350 0.001 0.000 0.195 222 E C 2.473 178.983 176.600 -0.150 0.000 1.000 222 E CA 1.510 57.790 56.400 -0.201 0.000 0.803 222 E CB -1.011 28.636 29.700 -0.088 0.000 0.750 222 E HN 0.497 nan 8.360 nan 0.000 0.448 223 A N 1.659 124.443 122.820 -0.061 0.000 1.859 223 A HA -0.311 4.009 4.320 0.001 0.000 0.217 223 A C 1.934 179.482 177.584 -0.059 0.000 1.198 223 A CA 2.186 54.198 52.037 -0.042 0.000 0.629 223 A CB -0.896 18.103 19.000 -0.002 0.000 0.830 223 A HN 0.202 nan 8.150 nan 0.000 0.446 224 N N 0.014 118.688 118.700 -0.043 0.000 2.061 224 N HA -0.141 4.600 4.740 0.001 0.000 0.193 224 N C 1.669 177.126 175.510 -0.089 0.000 1.030 224 N CA 1.569 54.593 53.050 -0.043 0.000 0.856 224 N CB -0.975 37.528 38.487 0.025 0.000 1.023 224 N HN 0.229 nan 8.380 nan 0.000 0.424 225 V N 1.171 120.971 119.914 -0.191 0.000 2.332 225 V HA -0.253 3.868 4.120 0.001 0.000 0.248 225 V C 2.169 178.182 176.094 -0.134 0.000 1.055 225 V CA 1.904 64.068 62.300 -0.226 0.000 1.038 225 V CB -0.789 30.750 31.823 -0.475 0.000 0.651 225 V HN 0.402 nan 8.190 nan 0.000 0.450 226 T N -0.046 114.434 114.554 -0.125 0.000 2.701 226 T HA -0.138 4.212 4.350 0.001 0.000 0.263 226 T C 1.865 176.535 174.700 -0.051 0.000 1.040 226 T CA 1.639 63.691 62.100 -0.080 0.000 1.147 226 T CB -0.308 68.518 68.868 -0.071 0.000 0.865 226 T HN 0.295 nan 8.240 nan 0.000 0.426 227 L N 0.715 121.910 121.223 -0.046 0.000 2.021 227 L HA -0.163 4.178 4.340 0.001 0.000 0.215 227 L C 2.588 179.455 176.870 -0.005 0.000 1.074 227 L CA 1.272 56.094 54.840 -0.030 0.000 0.760 227 L CB -0.568 41.466 42.059 -0.041 0.000 0.889 227 L HN 0.172 nan 8.230 nan 0.000 0.433 228 V N -1.676 118.237 119.914 -0.001 0.000 2.488 228 V HA -0.149 3.971 4.120 0.001 0.000 0.246 228 V C 2.171 178.314 176.094 0.081 0.000 1.046 228 V CA 1.029 63.372 62.300 0.072 0.000 1.053 228 V CB 0.312 32.175 31.823 0.066 0.000 0.679 228 V HN 0.180 nan 8.190 nan 0.000 0.458 229 V N -0.626 119.296 119.914 0.014 0.000 2.488 229 V HA -0.153 3.968 4.120 0.001 0.000 0.246 229 V C 2.547 178.619 176.094 -0.037 0.000 1.046 229 V CA 1.874 64.168 62.300 -0.010 0.000 1.053 229 V CB -0.228 31.582 31.823 -0.022 0.000 0.679 229 V HN 0.500 nan 8.190 nan 0.000 0.458 230 S N 0.817 116.499 115.700 -0.030 0.000 2.351 230 S HA -0.246 4.225 4.470 0.001 0.000 0.220 230 S C 2.255 176.831 174.600 -0.041 0.000 1.035 230 S CA 2.335 60.514 58.200 -0.035 0.000 1.031 230 S CB -0.544 62.640 63.200 -0.026 0.000 0.928 230 S HN 0.856 nan 8.310 nan 0.000 0.433 231 T N 1.421 115.970 114.554 -0.009 0.000 2.788 231 T HA -0.084 4.267 4.350 0.001 0.000 0.268 231 T C 1.773 176.368 174.700 -0.177 0.000 1.044 231 T CA 1.282 63.388 62.100 0.010 0.000 1.139 231 T CB -0.679 68.273 68.868 0.140 0.000 0.867 231 T HN 0.233 nan 8.240 nan 0.000 0.454 232 L N 0.812 121.805 121.223 -0.382 0.000 2.079 232 L HA 0.074 4.414 4.340 0.001 0.000 0.210 232 L C 2.263 178.927 176.870 -0.343 0.000 1.081 232 L CA 1.364 55.742 54.840 -0.771 0.000 0.752 232 L CB -0.678 41.087 42.059 -0.490 0.000 0.896 232 L HN 0.322 nan 8.230 nan 0.000 0.433 233 I N -0.590 119.876 120.570 -0.172 0.000 2.202 233 I HA -0.251 3.919 4.170 0.001 0.000 0.242 233 I C 2.587 178.647 176.117 -0.094 0.000 1.091 233 I CA 1.117 62.358 61.300 -0.098 0.000 1.368 233 I CB -0.548 37.413 38.000 -0.066 0.000 1.058 233 I HN 0.359 nan 8.210 nan 0.000 0.410 234 A N -0.058 122.716 122.820 -0.077 0.000 1.986 234 A HA -0.338 3.982 4.320 0.001 0.000 0.220 234 A C 2.130 179.726 177.584 0.020 0.000 1.171 234 A CA 2.293 54.298 52.037 -0.055 0.000 0.640 234 A CB -1.007 18.009 19.000 0.026 0.000 0.811 234 A HN 0.555 nan 8.150 nan 0.000 0.451 235 H N -0.364 118.635 119.070 -0.118 0.000 2.357 235 H HA 0.006 4.562 4.556 0.001 0.000 0.301 235 H C 1.730 177.001 175.328 -0.095 0.000 1.082 235 H CA 1.829 57.817 56.048 -0.100 0.000 1.342 235 H CB -0.275 29.261 29.762 -0.376 0.000 1.389 235 H HN 0.418 nan 8.280 nan 0.000 0.511 236 I N 0.349 120.832 120.570 -0.145 0.000 2.151 236 I HA -0.348 3.823 4.170 0.001 0.000 0.243 236 I C 2.719 178.779 176.117 -0.096 0.000 1.080 236 I CA 1.280 62.538 61.300 -0.071 0.000 1.339 236 I CB -0.545 37.467 38.000 0.020 0.000 1.039 236 I HN 0.451 nan 8.210 nan 0.000 0.409 237 A N 0.642 123.376 122.820 -0.142 0.000 1.873 237 A HA -0.254 4.066 4.320 0.001 0.000 0.218 237 A C 2.116 179.561 177.584 -0.231 0.000 1.193 237 A CA 1.903 53.810 52.037 -0.217 0.000 0.629 237 A CB -1.138 17.665 19.000 -0.328 0.000 0.826 237 A HN 0.350 nan 8.150 nan 0.000 0.447 238 F N 0.297 120.167 119.950 -0.132 0.000 2.134 238 F HA -0.161 4.366 4.527 0.001 0.000 0.299 238 F C 2.334 178.051 175.800 -0.139 0.000 1.097 238 F CA 1.425 59.350 58.000 -0.125 0.000 1.264 238 F CB -0.698 38.224 39.000 -0.131 0.000 1.001 238 F HN 0.303 nan 8.300 nan 0.000 0.479 239 N N 1.220 119.884 118.700 -0.060 0.000 2.036 239 N HA -0.229 4.511 4.740 0.001 0.000 0.195 239 N C 1.838 177.362 175.510 0.023 0.000 1.037 239 N CA 1.852 54.885 53.050 -0.029 0.000 0.855 239 N CB -0.537 37.942 38.487 -0.012 0.000 1.033 239 N HN 0.307 nan 8.380 nan 0.000 0.423 240 I N 0.044 120.615 120.570 0.001 0.000 2.226 240 I HA -0.255 3.915 4.170 0.001 0.000 0.245 240 I C 2.222 178.339 176.117 -0.000 0.000 1.100 240 I CA 0.514 61.813 61.300 -0.003 0.000 1.374 240 I CB -0.286 37.701 38.000 -0.021 0.000 1.057 240 I HN 0.180 nan 8.210 nan 0.000 0.413 241 L N 0.510 121.732 121.223 -0.002 0.000 1.971 241 L HA -0.224 4.117 4.340 0.001 0.000 0.215 241 L C 2.479 179.387 176.870 0.064 0.000 1.072 241 L CA 1.942 56.797 54.840 0.025 0.000 0.758 241 L CB -0.729 41.357 42.059 0.045 0.000 0.889 241 L HN 0.005 nan 8.230 nan 0.000 0.433 242 V N 0.787 120.761 119.914 0.100 0.000 2.287 242 V HA -0.326 3.794 4.120 0.001 0.000 0.248 242 V C 2.630 178.752 176.094 0.048 0.000 1.053 242 V CA 2.162 64.535 62.300 0.122 0.000 1.027 242 V CB -0.973 30.936 31.823 0.144 0.000 0.646 242 V HN 0.783 nan 8.190 nan 0.000 0.447 243 E N 0.741 120.950 120.200 0.016 0.000 2.347 243 E HA -0.192 4.158 4.350 0.001 0.000 0.196 243 E C 1.930 178.499 176.600 -0.051 0.000 1.008 243 E CA 1.410 57.789 56.400 -0.035 0.000 0.852 243 E CB -0.454 29.229 29.700 -0.028 0.000 0.783 243 E HN 0.718 nan 8.360 nan 0.000 0.505 244 T N -1.360 113.181 114.554 -0.022 0.000 3.023 244 T HA 0.003 4.353 4.350 0.001 0.000 0.266 244 T C 1.523 176.209 174.700 -0.022 0.000 1.093 244 T CA 0.667 62.752 62.100 -0.024 0.000 1.129 244 T CB -0.151 68.712 68.868 -0.008 0.000 0.899 244 T HN 0.029 nan 8.240 nan 0.000 0.491 245 N N 0.580 119.276 118.700 -0.008 0.000 2.412 245 N HA 0.284 5.024 4.740 0.001 0.000 0.184 245 N C 0.064 175.515 175.510 -0.099 0.000 1.101 245 N CA 0.185 53.240 53.050 0.010 0.000 0.881 245 N CB 0.114 38.670 38.487 0.114 0.000 0.969 245 N HN 0.487 nan 8.380 nan 0.000 0.459 246 L N 1.178 122.266 121.223 -0.224 0.000 2.333 246 L HA 0.489 4.829 4.340 0.001 0.000 0.269 246 L C -2.109 174.524 176.870 -0.394 0.000 1.010 246 L CA -1.876 52.682 54.840 -0.471 0.000 0.818 246 L CB 2.308 44.012 42.059 -0.591 0.000 1.306 246 L HN -0.144 nan 8.230 nan 0.000 0.430 247 P HA 0.154 nan 4.420 nan 0.000 0.277 247 P C -1.384 175.722 177.300 -0.324 0.000 1.271 247 P CA -0.584 62.319 63.100 -0.328 0.000 0.795 247 P CB 0.685 32.218 31.700 -0.279 0.000 1.101 248 K N 0.283 120.555 120.400 -0.215 0.000 2.262 248 K HA 0.343 4.664 4.320 0.001 0.000 0.282 248 K C 0.338 176.802 176.600 -0.226 0.000 1.066 248 K CA -0.263 55.903 56.287 -0.201 0.000 0.901 248 K CB 0.469 32.889 32.500 -0.132 0.000 1.089 248 K HN 0.500 nan 8.250 nan 0.000 0.476 249 T N -0.526 113.832 114.554 -0.328 0.000 2.929 249 T HA 0.385 4.735 4.350 0.001 0.000 0.284 249 T C -1.817 172.655 174.700 -0.380 0.000 1.014 249 T CA -1.798 60.018 62.100 -0.474 0.000 1.051 249 T CB 1.408 69.646 68.868 -1.050 0.000 1.028 249 T HN 0.297 nan 8.240 nan 0.000 0.485 250 P HA 0.220 nan 4.420 nan 0.000 0.255 250 P C -1.024 176.276 177.300 -0.001 0.000 1.427 250 P CA -0.191 62.856 63.100 -0.088 0.000 0.863 250 P CB -0.790 30.924 31.700 0.023 0.000 1.444 251 Y N -3.708 116.611 120.300 0.033 0.000 2.553 251 Y HA 0.705 5.255 4.550 0.001 0.000 0.347 251 Y C 0.011 175.955 175.900 0.073 0.000 1.019 251 Y CA -2.488 55.638 58.100 0.044 0.000 1.032 251 Y CB 0.368 38.859 38.460 0.051 0.000 1.284 251 Y HN -0.366 nan 8.280 nan 0.000 0.466 252 M N 2.828 122.584 119.600 0.260 0.000 2.248 252 M HA 0.296 4.777 4.480 0.001 0.000 0.337 252 M C 0.169 176.765 176.300 0.494 0.000 1.121 252 M CA 0.401 55.864 55.300 0.272 0.000 1.155 252 M CB 0.679 33.453 32.600 0.290 0.000 1.514 252 M HN 0.950 nan 8.290 nan 0.000 0.452 253 T N 1.253 116.031 114.554 0.373 0.000 2.952 253 T HA 0.319 4.670 4.350 0.001 0.000 0.286 253 T C 0.771 175.601 174.700 0.216 0.000 1.024 253 T CA -0.610 61.760 62.100 0.450 0.000 1.029 253 T CB 0.561 69.622 68.868 0.321 0.000 1.094 253 T HN 0.695 nan 8.240 nan 0.000 0.515 254 Y N 1.522 121.758 120.300 -0.108 0.000 2.049 254 Y HA -0.175 4.375 4.550 0.001 0.000 0.277 254 Y C 2.739 178.504 175.900 -0.226 0.000 1.143 254 Y CA 2.336 60.026 58.100 -0.683 0.000 1.115 254 Y CB -0.925 37.291 38.460 -0.407 0.000 0.975 254 Y HN 0.771 nan 8.280 nan 0.000 0.487 255 T N 0.070 114.513 114.554 -0.184 0.000 2.653 255 T HA -0.265 4.086 4.350 0.001 0.000 0.268 255 T C 1.899 176.575 174.700 -0.040 0.000 1.035 255 T CA 1.551 63.565 62.100 -0.143 0.000 1.154 255 T CB -1.257 67.665 68.868 0.090 0.000 0.862 255 T HN 0.685 nan 8.240 nan 0.000 0.441 256 G N 1.085 109.913 108.800 0.046 0.000 2.469 256 G HA2 -0.137 3.823 3.960 0.001 0.000 0.219 256 G HA3 -0.137 3.823 3.960 0.001 0.000 0.219 256 G C 1.794 176.779 174.900 0.142 0.000 1.150 256 G CA 1.105 46.262 45.100 0.094 0.000 0.763 256 G HN 0.633 nan 8.290 nan 0.000 0.561 257 A N 0.584 123.449 122.820 0.075 0.000 1.897 257 A HA 0.136 4.457 4.320 0.001 0.000 0.215 257 A C 2.410 180.091 177.584 0.162 0.000 1.181 257 A CA 1.173 53.305 52.037 0.158 0.000 0.620 257 A CB -0.300 18.758 19.000 0.098 0.000 0.821 257 A HN 0.372 nan 8.150 nan 0.000 0.443 258 I N 0.481 121.029 120.570 -0.037 0.000 2.099 258 I HA -0.295 3.875 4.170 0.001 0.000 0.239 258 I C 2.302 178.527 176.117 0.181 0.000 1.066 258 I CA 1.374 62.673 61.300 -0.001 0.000 1.324 258 I CB -0.501 37.395 38.000 -0.174 0.000 1.037 258 I HN 0.287 nan 8.210 nan 0.000 0.401 259 I N 0.555 121.246 120.570 0.201 0.000 2.113 259 I HA -0.380 3.790 4.170 0.001 0.000 0.242 259 I C 2.663 179.109 176.117 0.548 0.000 1.057 259 I CA 2.206 63.718 61.300 0.352 0.000 1.314 259 I CB -1.191 36.961 38.000 0.253 0.000 1.022 259 I HN 0.259 nan 8.210 nan 0.000 0.408 260 F N 1.132 121.299 119.950 0.362 0.000 2.084 260 F HA -0.226 4.302 4.527 0.001 0.000 0.296 260 F C 2.835 178.905 175.800 0.451 0.000 1.111 260 F CA 1.597 59.850 58.000 0.422 0.000 1.224 260 F CB -0.215 38.926 39.000 0.234 0.000 0.991 260 F HN -0.134 nan 8.300 nan 0.000 0.471 261 M N 0.377 120.157 119.600 0.301 0.000 2.089 261 M HA -0.296 4.184 4.480 0.001 0.000 0.257 261 M C 2.182 178.696 176.300 0.357 0.000 1.071 261 M CA 2.116 57.573 55.300 0.262 0.000 1.096 261 M CB -0.541 32.277 32.600 0.363 0.000 1.330 261 M HN 0.340 nan 8.290 nan 0.000 0.403 262 I N -0.756 120.014 120.570 0.334 0.000 2.335 262 I HA -0.339 3.831 4.170 0.001 0.000 0.251 262 I C 1.898 178.178 176.117 0.272 0.000 1.129 262 I CA 1.381 62.819 61.300 0.229 0.000 1.402 262 I CB -0.421 37.528 38.000 -0.085 0.000 1.069 262 I HN 0.291 nan 8.210 nan 0.000 0.424 263 Y N 0.492 120.905 120.300 0.188 0.000 2.165 263 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 263 Y C 2.367 178.397 175.900 0.217 0.000 1.155 263 Y CA 1.524 59.748 58.100 0.206 0.000 1.164 263 Y CB -0.466 37.998 38.460 0.006 0.000 0.978 263 Y HN 0.096 nan 8.280 nan 0.000 0.513 264 L N -1.759 119.608 121.223 0.240 0.000 2.042 264 L HA -0.264 4.077 4.340 0.001 0.000 0.210 264 L C 2.158 179.187 176.870 0.265 0.000 1.076 264 L CA 1.405 56.349 54.840 0.174 0.000 0.749 264 L CB -0.736 41.334 42.059 0.018 0.000 0.893 264 L HN 0.183 nan 8.230 nan 0.000 0.432 265 F N -1.306 118.784 119.950 0.234 0.000 2.126 265 F HA -0.287 4.241 4.527 0.001 0.000 0.299 265 F C 2.356 178.341 175.800 0.309 0.000 1.096 265 F CA 1.489 59.659 58.000 0.283 0.000 1.255 265 F CB -0.570 38.593 39.000 0.271 0.000 0.997 265 F HN -0.044 nan 8.300 nan 0.000 0.479 266 Y N -1.497 119.058 120.300 0.425 0.000 2.163 266 Y HA -0.255 4.295 4.550 0.001 0.000 0.288 266 Y C 2.323 178.409 175.900 0.310 0.000 1.136 266 Y CA 1.526 59.806 58.100 0.299 0.000 1.147 266 Y CB -1.043 37.511 38.460 0.157 0.000 0.987 266 Y HN 0.016 nan 8.280 nan 0.000 0.509 267 F N -0.005 120.159 119.950 0.356 0.000 2.065 267 F HA -0.280 4.248 4.527 0.001 0.000 0.298 267 F C 2.232 178.168 175.800 0.226 0.000 1.112 267 F CA 1.643 59.790 58.000 0.244 0.000 1.212 267 F CB -0.750 38.357 39.000 0.179 0.000 0.975 267 F HN -0.189 nan 8.300 nan 0.000 0.476 268 V N 0.409 120.510 119.914 0.311 0.000 2.295 268 V HA -0.309 3.811 4.120 0.001 0.000 0.246 268 V C 2.732 179.039 176.094 0.355 0.000 1.049 268 V CA 1.699 64.133 62.300 0.222 0.000 1.024 268 V CB -1.688 30.207 31.823 0.121 0.000 0.648 268 V HN 0.503 nan 8.190 nan 0.000 0.447 269 A N 0.031 123.188 122.820 0.561 0.000 1.909 269 A HA -0.285 4.035 4.320 0.001 0.000 0.221 269 A C 2.423 180.111 177.584 0.174 0.000 1.223 269 A CA 2.773 55.019 52.037 0.349 0.000 0.658 269 A CB -1.091 18.059 19.000 0.250 0.000 0.831 269 A HN 0.346 nan 8.150 nan 0.000 0.462 270 V N 0.577 120.557 119.914 0.109 0.000 2.343 270 V HA -0.272 3.848 4.120 0.001 0.000 0.247 270 V C 2.472 178.562 176.094 -0.008 0.000 1.051 270 V CA 1.866 64.186 62.300 0.032 0.000 1.036 270 V CB -0.661 31.148 31.823 -0.023 0.000 0.654 270 V HN 0.556 nan 8.190 nan 0.000 0.451 271 I N -0.019 120.489 120.570 -0.103 0.000 2.127 271 I HA -0.238 3.932 4.170 0.001 0.000 0.241 271 I C 2.634 178.775 176.117 0.040 0.000 1.075 271 I CA 1.887 63.138 61.300 -0.081 0.000 1.334 271 I CB -1.315 36.617 38.000 -0.113 0.000 1.040 271 I HN 0.437 nan 8.210 nan 0.000 0.405 272 E N 1.360 121.633 120.200 0.122 0.000 2.085 272 E HA -0.171 4.179 4.350 0.001 0.000 0.194 272 E C 2.366 179.054 176.600 0.146 0.000 0.994 272 E CA 1.223 57.714 56.400 0.151 0.000 0.801 272 E CB -0.036 29.809 29.700 0.242 0.000 0.743 272 E HN 0.271 nan 8.360 nan 0.000 0.453 273 V N 0.865 120.876 119.914 0.161 0.000 2.392 273 V HA -0.255 3.865 4.120 0.001 0.000 0.249 273 V C 2.436 178.653 176.094 0.206 0.000 1.059 273 V CA 2.178 64.591 62.300 0.188 0.000 1.051 273 V CB -0.672 31.253 31.823 0.171 0.000 0.658 273 V HN 0.330 nan 8.190 nan 0.000 0.455 274 T N -0.570 114.079 114.554 0.158 0.000 2.737 274 T HA -0.138 4.212 4.350 0.001 0.000 0.265 274 T C 1.925 176.659 174.700 0.056 0.000 1.038 274 T CA 1.582 63.736 62.100 0.090 0.000 1.144 274 T CB -0.151 68.752 68.868 0.058 0.000 0.866 274 T HN 0.267 nan 8.240 nan 0.000 0.434 275 V N 1.655 121.601 119.914 0.052 0.000 2.295 275 V HA -0.211 3.909 4.120 0.001 0.000 0.246 275 V C 2.711 178.857 176.094 0.086 0.000 1.049 275 V CA 1.837 64.167 62.300 0.051 0.000 1.024 275 V CB -0.688 31.151 31.823 0.027 0.000 0.648 275 V HN 0.507 nan 8.190 nan 0.000 0.447 276 Q N -0.263 119.582 119.800 0.075 0.000 2.045 276 Q HA -0.345 3.996 4.340 0.001 0.000 0.206 276 Q C 2.258 178.284 176.000 0.044 0.000 0.991 276 Q CA 2.755 58.596 55.803 0.063 0.000 0.851 276 Q CB -0.313 28.476 28.738 0.085 0.000 0.911 276 Q HN 0.855 nan 8.270 nan 0.000 0.418 277 H N -0.817 118.205 119.070 -0.079 0.000 2.293 277 H HA -0.210 4.347 4.556 0.001 0.000 0.300 277 H C 1.867 177.109 175.328 -0.143 0.000 1.082 277 H CA 2.302 58.225 56.048 -0.207 0.000 1.308 277 H CB -0.750 28.602 29.762 -0.682 0.000 1.375 277 H HN 0.427 nan 8.280 nan 0.000 0.495 278 Y N 0.521 120.677 120.300 -0.241 0.000 2.069 278 Y HA -0.298 4.253 4.550 0.001 0.000 0.278 278 Y C 2.373 178.152 175.900 -0.202 0.000 1.175 278 Y CA 2.116 60.081 58.100 -0.225 0.000 1.134 278 Y CB -0.388 38.014 38.460 -0.097 0.000 0.965 278 Y HN 0.235 nan 8.280 nan 0.000 0.498 279 L N 0.306 121.522 121.223 -0.012 0.000 2.046 279 L HA -0.267 4.073 4.340 0.001 0.000 0.208 279 L C 2.578 179.348 176.870 -0.166 0.000 1.077 279 L CA 2.054 56.853 54.840 -0.067 0.000 0.747 279 L CB -0.669 41.394 42.059 0.006 0.000 0.896 279 L HN 0.202 nan 8.230 nan 0.000 0.432 280 K N 0.272 120.567 120.400 -0.175 0.000 2.063 280 K HA -0.181 4.140 4.320 0.001 0.000 0.208 280 K C 1.909 178.364 176.600 -0.240 0.000 1.048 280 K CA 1.688 57.868 56.287 -0.178 0.000 0.928 280 K CB -0.146 32.266 32.500 -0.147 0.000 0.713 280 K HN 0.078 nan 8.250 nan 0.000 0.442 281 V N 1.429 121.114 119.914 -0.381 0.000 2.626 281 V HA -0.152 3.969 4.120 0.001 0.000 0.252 281 V C 1.842 177.764 176.094 -0.288 0.000 1.067 281 V CA 1.840 63.927 62.300 -0.356 0.000 1.081 281 V CB -0.395 31.148 31.823 -0.467 0.000 0.686 281 V HN 0.422 nan 8.190 nan 0.000 0.468 282 E N -0.346 119.660 120.200 -0.324 0.000 2.394 282 E HA 0.109 4.460 4.350 0.001 0.000 0.191 282 E C 0.492 176.992 176.600 -0.166 0.000 1.044 282 E CA 0.053 56.288 56.400 -0.275 0.000 0.939 282 E CB 0.072 29.553 29.700 -0.364 0.000 1.089 282 E HN 0.469 nan 8.360 nan 0.000 0.456 283 S N 1.224 116.837 115.700 -0.145 0.000 3.559 283 S HA -0.211 4.259 4.470 0.001 0.000 0.369 283 S C -0.222 174.331 174.600 -0.079 0.000 0.987 283 S CA 1.141 59.282 58.200 -0.097 0.000 1.187 283 S CB -1.115 62.039 63.200 -0.076 0.000 0.914 283 S HN 0.617 nan 8.310 nan 0.000 0.480 284 Q N -2.335 117.416 119.800 -0.083 0.000 3.064 284 Q HA 0.383 4.723 4.340 0.001 0.000 0.258 284 Q C -2.839 173.132 176.000 -0.047 0.000 0.972 284 Q CA -1.918 53.852 55.803 -0.055 0.000 0.761 284 Q CB 1.210 29.923 28.738 -0.041 0.000 1.281 284 Q HN 0.142 nan 8.270 nan 0.000 0.455 285 P HA -0.113 nan 4.420 nan 0.000 0.220 285 P C 1.169 178.453 177.300 -0.026 0.000 1.148 285 P CA 1.627 64.706 63.100 -0.035 0.000 0.803 285 P CB 0.306 31.988 31.700 -0.030 0.000 0.782 286 A N -0.072 122.733 122.820 -0.025 0.000 1.929 286 A HA -0.144 4.176 4.320 0.001 0.000 0.216 286 A C 2.220 179.790 177.584 -0.024 0.000 1.176 286 A CA 1.016 53.039 52.037 -0.023 0.000 0.628 286 A CB -0.713 18.274 19.000 -0.020 0.000 0.816 286 A HN 0.045 nan 8.150 nan 0.000 0.444 287 R N -0.292 120.195 120.500 -0.022 0.000 2.070 287 R HA -0.086 4.255 4.340 0.001 0.000 0.233 287 R C 2.547 178.834 176.300 -0.021 0.000 1.137 287 R CA 1.244 57.332 56.100 -0.019 0.000 0.945 287 R CB -0.737 29.556 30.300 -0.011 0.000 0.845 287 R HN 0.481 nan 8.270 nan 0.000 0.430 288 A N 1.872 124.682 122.820 -0.017 0.000 1.884 288 A HA -0.248 4.073 4.320 0.001 0.000 0.219 288 A C 2.480 180.049 177.584 -0.025 0.000 1.197 288 A CA 2.294 54.323 52.037 -0.013 0.000 0.637 288 A CB -0.905 18.087 19.000 -0.013 0.000 0.827 288 A HN 0.440 nan 8.150 nan 0.000 0.450 289 A N -0.268 122.534 122.820 -0.029 0.000 1.978 289 A HA -0.102 4.219 4.320 0.001 0.000 0.220 289 A C 2.411 179.959 177.584 -0.060 0.000 1.170 289 A CA 2.535 54.548 52.037 -0.040 0.000 0.636 289 A CB -0.792 18.190 19.000 -0.031 0.000 0.810 289 A HN 1.074 nan 8.150 nan 0.000 0.448 290 S N -0.881 114.787 115.700 -0.053 0.000 2.486 290 S HA 0.127 4.598 4.470 0.001 0.000 0.220 290 S C 1.725 176.277 174.600 -0.079 0.000 1.011 290 S CA 0.650 58.811 58.200 -0.064 0.000 0.921 290 S CB -0.526 62.645 63.200 -0.049 0.000 0.785 290 S HN 0.440 nan 8.310 nan 0.000 0.517 291 I N 2.555 123.085 120.570 -0.066 0.000 2.226 291 I HA -0.176 3.994 4.170 0.001 0.000 0.245 291 I C 2.582 178.626 176.117 -0.123 0.000 1.100 291 I CA 1.597 62.852 61.300 -0.075 0.000 1.374 291 I CB -0.790 37.185 38.000 -0.041 0.000 1.057 291 I HN 0.331 nan 8.210 nan 0.000 0.413 292 T N 0.006 114.489 114.554 -0.118 0.000 2.821 292 T HA -0.131 4.220 4.350 0.001 0.000 0.267 292 T C 2.021 176.547 174.700 -0.290 0.000 1.046 292 T CA 1.007 63.001 62.100 -0.176 0.000 1.139 292 T CB -0.257 68.550 68.868 -0.100 0.000 0.871 292 T HN 0.277 nan 8.240 nan 0.000 0.454 293 R N 0.889 121.257 120.500 -0.221 0.000 2.081 293 R HA 0.048 4.388 4.340 0.001 0.000 0.235 293 R C 2.869 179.026 176.300 -0.239 0.000 1.131 293 R CA 1.225 57.184 56.100 -0.235 0.000 0.960 293 R CB -0.486 29.727 30.300 -0.145 0.000 0.856 293 R HN 0.399 nan 8.270 nan 0.000 0.436 294 A N 0.432 123.133 122.820 -0.198 0.000 1.902 294 A HA -0.159 4.161 4.320 0.001 0.000 0.217 294 A C 2.186 179.619 177.584 -0.251 0.000 1.181 294 A CA 1.825 53.754 52.037 -0.181 0.000 0.623 294 A CB -0.446 18.471 19.000 -0.138 0.000 0.818 294 A HN 0.241 nan 8.150 nan 0.000 0.443 295 S N -0.431 115.047 115.700 -0.370 0.000 2.399 295 S HA -0.149 4.322 4.470 0.001 0.000 0.231 295 S C 1.954 176.125 174.600 -0.715 0.000 1.022 295 S CA 1.252 59.124 58.200 -0.547 0.000 0.983 295 S CB -0.325 62.269 63.200 -1.011 0.000 0.803 295 S HN 0.612 nan 8.310 nan 0.000 0.480 296 R N 0.378 120.471 120.500 -0.679 0.000 2.139 296 R HA -0.057 4.283 4.340 0.001 0.000 0.243 296 R C 1.761 177.954 176.300 -0.179 0.000 1.145 296 R CA 1.389 57.178 56.100 -0.519 0.000 0.976 296 R CB -0.372 29.494 30.300 -0.722 0.000 0.866 296 R HN 0.426 nan 8.270 nan 0.000 0.449 297 I N -0.698 119.771 120.570 -0.168 0.000 2.729 297 I HA 0.001 4.172 4.170 0.001 0.000 0.256 297 I C 2.427 178.489 176.117 -0.091 0.000 1.115 297 I CA 0.475 61.731 61.300 -0.074 0.000 1.446 297 I CB -0.193 37.776 38.000 -0.053 0.000 1.176 297 I HN 0.059 nan 8.210 nan 0.000 0.446 298 A N 1.237 123.977 122.820 -0.134 0.000 1.873 298 A HA -0.241 4.079 4.320 0.001 0.000 0.218 298 A C 2.156 179.637 177.584 -0.171 0.000 1.193 298 A CA 1.746 53.691 52.037 -0.154 0.000 0.629 298 A CB -1.216 17.656 19.000 -0.213 0.000 0.826 298 A HN 0.303 nan 8.150 nan 0.000 0.447 299 F N 0.359 120.080 119.950 -0.381 0.000 2.027 299 F HA -0.169 4.358 4.527 0.001 0.000 0.297 299 F C -0.051 175.532 175.800 -0.361 0.000 1.129 299 F CA 2.621 60.365 58.000 -0.426 0.000 1.195 299 F CB -1.445 37.029 39.000 -0.875 0.000 0.960 299 F HN 0.206 nan 8.300 nan 0.000 0.485 300 P HA -0.131 nan 4.420 nan 0.000 0.215 300 P C 1.950 179.345 177.300 0.158 0.000 1.153 300 P CA 1.390 64.478 63.100 -0.019 0.000 0.853 300 P CB -0.104 31.622 31.700 0.043 0.000 0.788 301 V N -0.171 119.787 119.914 0.073 0.000 2.261 301 V HA -0.201 3.919 4.120 0.001 0.000 0.246 301 V C 2.517 178.682 176.094 0.118 0.000 1.047 301 V CA 1.894 64.242 62.300 0.080 0.000 1.015 301 V CB -1.208 30.629 31.823 0.023 0.000 0.642 301 V HN -0.065 nan 8.190 nan 0.000 0.446 302 V N -0.718 119.261 119.914 0.109 0.000 2.490 302 V HA -0.274 3.847 4.120 0.001 0.000 0.250 302 V C 2.096 178.419 176.094 0.382 0.000 1.061 302 V CA 2.250 64.644 62.300 0.157 0.000 1.064 302 V CB -0.867 30.974 31.823 0.029 0.000 0.670 302 V HN 0.574 nan 8.190 nan 0.000 0.461 303 F N -0.162 119.998 119.950 0.350 0.000 2.134 303 F HA -0.165 4.362 4.527 0.001 0.000 0.299 303 F C 2.197 178.096 175.800 0.165 0.000 1.097 303 F CA 1.596 59.733 58.000 0.228 0.000 1.264 303 F CB 0.021 39.086 39.000 0.109 0.000 1.001 303 F HN 0.047 nan 8.300 nan 0.000 0.479 304 L N 0.121 121.446 121.223 0.171 0.000 2.072 304 L HA -0.162 4.179 4.340 0.001 0.000 0.205 304 L C 2.183 179.063 176.870 0.015 0.000 1.079 304 L CA 1.394 56.270 54.840 0.061 0.000 0.752 304 L CB -0.657 41.482 42.059 0.132 0.000 0.906 304 L HN 0.264 nan 8.230 nan 0.000 0.436 305 L N -0.049 121.207 121.223 0.056 0.000 2.046 305 L HA -0.182 4.158 4.340 0.001 0.000 0.208 305 L C 2.834 179.730 176.870 0.043 0.000 1.077 305 L CA 1.349 56.215 54.840 0.043 0.000 0.747 305 L CB -0.826 41.260 42.059 0.045 0.000 0.896 305 L HN 0.309 nan 8.230 nan 0.000 0.432 306 A N 0.092 122.948 122.820 0.059 0.000 1.969 306 A HA -0.220 4.100 4.320 0.001 0.000 0.218 306 A C 1.950 179.548 177.584 0.024 0.000 1.169 306 A CA 2.025 54.110 52.037 0.081 0.000 0.635 306 A CB -0.625 18.479 19.000 0.174 0.000 0.810 306 A HN 0.449 nan 8.150 nan 0.000 0.445 307 N N -0.366 118.269 118.700 -0.108 0.000 2.171 307 N HA -0.003 4.738 4.740 0.001 0.000 0.184 307 N C 1.506 177.048 175.510 0.053 0.000 1.021 307 N CA 1.249 54.244 53.050 -0.093 0.000 0.854 307 N CB -0.275 38.052 38.487 -0.266 0.000 0.994 307 N HN 0.504 nan 8.380 nan 0.000 0.426 308 I N 0.713 121.309 120.570 0.043 0.000 2.179 308 I HA -0.253 3.917 4.170 0.001 0.000 0.242 308 I C 1.784 177.993 176.117 0.153 0.000 1.088 308 I CA 0.963 62.314 61.300 0.084 0.000 1.357 308 I CB -0.245 37.781 38.000 0.043 0.000 1.051 308 I HN 0.148 nan 8.210 nan 0.000 0.409 309 I N 0.357 121.007 120.570 0.133 0.000 2.113 309 I HA -0.370 3.801 4.170 0.001 0.000 0.242 309 I C 2.505 178.801 176.117 0.299 0.000 1.064 309 I CA 1.709 63.126 61.300 0.194 0.000 1.320 309 I CB -0.523 37.566 38.000 0.147 0.000 1.028 309 I HN 0.242 nan 8.210 nan 0.000 0.406 310 L N 0.435 121.829 121.223 0.284 0.000 2.017 310 L HA -0.230 4.111 4.340 0.001 0.000 0.208 310 L C 2.933 180.085 176.870 0.471 0.000 1.073 310 L CA 1.473 56.555 54.840 0.403 0.000 0.745 310 L CB -0.756 41.516 42.059 0.356 0.000 0.894 310 L HN 0.287 nan 8.230 nan 0.000 0.432 311 A N -0.069 122.986 122.820 0.391 0.000 1.883 311 A HA -0.305 4.015 4.320 0.001 0.000 0.217 311 A C 2.181 179.963 177.584 0.330 0.000 1.186 311 A CA 1.830 54.075 52.037 0.345 0.000 0.624 311 A CB -0.980 18.136 19.000 0.193 0.000 0.822 311 A HN 0.409 nan 8.150 nan 0.000 0.444 312 F N 0.591 120.639 119.950 0.163 0.000 2.043 312 F HA -0.222 4.306 4.527 0.001 0.000 0.297 312 F C 2.035 177.898 175.800 0.105 0.000 1.121 312 F CA 2.113 60.181 58.000 0.113 0.000 1.199 312 F CB -0.259 38.785 39.000 0.074 0.000 0.968 312 F HN 0.150 nan 8.300 nan 0.000 0.478 313 L N -1.146 120.146 121.223 0.115 0.000 2.127 313 L HA -0.249 4.092 4.340 0.001 0.000 0.211 313 L C 2.213 178.951 176.870 -0.219 0.000 1.089 313 L CA 1.407 56.206 54.840 -0.068 0.000 0.757 313 L CB -0.689 41.419 42.059 0.082 0.000 0.899 313 L HN 0.212 nan 8.230 nan 0.000 0.434 314 F N -2.146 117.676 119.950 -0.214 0.000 2.656 314 F HA 0.127 4.655 4.527 0.001 0.000 0.291 314 F C 0.864 176.202 175.800 -0.771 0.000 1.122 314 F CA -0.002 57.701 58.000 -0.495 0.000 1.427 314 F CB 0.386 39.001 39.000 -0.641 0.000 1.125 314 F HN -0.172 nan 8.300 nan 0.000 0.583 315 F N 0.000 119.882 119.950 -0.114 0.000 2.286 315 F HA 0.000 4.527 4.527 0.001 0.000 0.279 315 F CA 0.000 57.902 58.000 -0.163 0.000 1.383 315 F CB 0.000 38.875 39.000 -0.208 0.000 1.145 315 F HN 0.000 nan 8.300 nan 0.000 0.574