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 1cjd_1_A DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.871 176.870 0.002 0.000 1.165 15 L CA 0.000 54.842 54.840 0.003 0.000 0.813 15 L CB 0.000 42.061 42.059 0.003 0.000 0.961 16 R N -0.206 120.296 120.500 0.003 0.000 2.313 16 R HA 0.327 4.667 4.340 -0.000 0.000 0.199 16 R C 1.677 177.978 176.300 0.001 0.000 0.958 16 R CA 2.129 58.230 56.100 0.003 0.000 1.047 16 R CB -1.754 28.548 30.300 0.004 0.000 0.955 16 R HN 1.583 nan 8.270 nan 0.000 0.481 17 N N -0.376 118.324 118.700 0.001 0.000 2.376 17 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 17 N C 2.349 177.855 175.510 -0.006 0.000 1.024 17 N CA 1.319 54.368 53.050 -0.002 0.000 0.893 17 N CB -0.504 37.982 38.487 -0.002 0.000 0.980 17 N HN 0.712 nan 8.380 nan 0.000 0.439 18 Q N 0.625 120.422 119.800 -0.005 0.000 2.181 18 Q HA -0.247 4.093 4.340 -0.000 0.000 0.205 18 Q C 2.100 178.096 176.000 -0.007 0.000 0.980 18 Q CA 1.831 57.630 55.803 -0.007 0.000 0.862 18 Q CB -0.889 27.847 28.738 -0.004 0.000 0.905 18 Q HN 0.950 nan 8.270 nan 0.000 0.429 19 Q N -0.272 119.525 119.800 -0.004 0.000 1.993 19 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 19 Q C 2.529 178.527 176.000 -0.005 0.000 0.984 19 Q CA 1.496 57.297 55.803 -0.003 0.000 0.837 19 Q CB -0.510 28.227 28.738 -0.001 0.000 0.902 19 Q HN 0.679 nan 8.270 nan 0.000 0.423 20 A N 1.266 124.082 122.820 -0.005 0.000 1.892 20 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 20 A C 2.218 179.794 177.584 -0.014 0.000 1.188 20 A CA 1.888 53.921 52.037 -0.007 0.000 0.631 20 A CB -0.621 18.375 19.000 -0.007 0.000 0.822 20 A HN 0.309 nan 8.150 nan 0.000 0.447 21 M N -0.791 118.798 119.600 -0.018 0.000 2.067 21 M HA -0.099 4.381 4.480 -0.000 0.000 0.260 21 M C 2.501 178.788 176.300 -0.021 0.000 1.069 21 M CA 1.557 56.841 55.300 -0.026 0.000 1.117 21 M CB -0.338 32.245 32.600 -0.029 0.000 1.334 21 M HN 0.462 nan 8.290 nan 0.000 0.407 22 A N 0.113 122.924 122.820 -0.015 0.000 1.927 22 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 22 A C 2.269 179.847 177.584 -0.009 0.000 1.185 22 A CA 2.275 54.305 52.037 -0.011 0.000 0.639 22 A CB -1.242 17.754 19.000 -0.007 0.000 0.820 22 A HN 0.583 nan 8.150 nan 0.000 0.451 23 A N 0.007 122.823 122.820 -0.007 0.000 1.873 23 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 23 A C 1.966 179.547 177.584 -0.005 0.000 1.186 23 A CA 2.088 54.123 52.037 -0.003 0.000 0.616 23 A CB -0.800 18.199 19.000 -0.000 0.000 0.823 23 A HN 0.683 nan 8.150 nan 0.000 0.442 24 N N -0.295 118.398 118.700 -0.012 0.000 2.069 24 N HA -0.171 4.568 4.740 -0.000 0.000 0.191 24 N C 1.590 177.089 175.510 -0.019 0.000 1.031 24 N CA 1.721 54.761 53.050 -0.017 0.000 0.852 24 N CB -0.341 38.128 38.487 -0.031 0.000 1.018 24 N HN 0.290 nan 8.380 nan 0.000 0.423 25 L N 0.956 122.166 121.223 -0.022 0.000 2.083 25 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 25 L C 2.188 179.052 176.870 -0.010 0.000 1.083 25 L CA 1.742 56.570 54.840 -0.020 0.000 0.752 25 L CB -1.082 40.965 42.059 -0.021 0.000 0.899 25 L HN 0.377 nan 8.230 nan 0.000 0.433 26 Q N -0.842 118.954 119.800 -0.006 0.000 2.079 26 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 26 Q C 2.125 178.128 176.000 0.003 0.000 0.974 26 Q CA 1.631 57.433 55.803 -0.001 0.000 0.840 26 Q CB -0.080 28.659 28.738 0.001 0.000 0.898 26 Q HN 0.676 nan 8.270 nan 0.000 0.430 27 A N 1.100 123.922 122.820 0.004 0.000 1.933 27 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 27 A C 2.083 179.671 177.584 0.007 0.000 1.175 27 A CA 1.391 53.434 52.037 0.010 0.000 0.628 27 A CB -0.570 18.437 19.000 0.012 0.000 0.814 27 A HN 0.322 nan 8.150 nan 0.000 0.444 28 R N -0.198 120.301 120.500 -0.001 0.000 2.080 28 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 28 R C 2.348 178.649 176.300 0.002 0.000 1.137 28 R CA 1.908 58.007 56.100 -0.002 0.000 0.943 28 R CB -0.367 29.927 30.300 -0.010 0.000 0.846 28 R HN 0.697 nan 8.270 nan 0.000 0.431 29 Q N 0.135 119.936 119.800 0.002 0.000 2.096 29 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 29 Q C 2.318 178.322 176.000 0.007 0.000 0.982 29 Q CA 1.653 57.458 55.803 0.003 0.000 0.850 29 Q CB -0.249 28.490 28.738 0.002 0.000 0.901 29 Q HN 0.457 nan 8.270 nan 0.000 0.422 30 I N 0.414 120.990 120.570 0.010 0.000 2.179 30 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 30 I C 2.408 178.535 176.117 0.016 0.000 1.088 30 I CA 0.847 62.156 61.300 0.015 0.000 1.357 30 I CB -0.325 37.687 38.000 0.020 0.000 1.051 30 I HN -0.013 nan 8.210 nan 0.000 0.409 31 V N 0.950 120.872 119.914 0.014 0.000 2.287 31 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 31 V C 2.378 178.481 176.094 0.014 0.000 1.053 31 V CA 1.834 64.141 62.300 0.011 0.000 1.027 31 V CB -0.445 31.380 31.823 0.003 0.000 0.646 31 V HN 0.360 nan 8.190 nan 0.000 0.447 32 L N -0.554 120.675 121.223 0.011 0.000 2.046 32 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 32 L C 2.641 179.519 176.870 0.014 0.000 1.077 32 L CA 1.828 56.675 54.840 0.011 0.000 0.747 32 L CB -0.559 41.503 42.059 0.006 0.000 0.896 32 L HN 0.411 nan 8.230 nan 0.000 0.432 33 Q N -0.533 119.275 119.800 0.013 0.000 2.119 33 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 33 Q C 2.075 178.086 176.000 0.018 0.000 0.972 33 Q CA 1.233 57.044 55.803 0.013 0.000 0.847 33 Q CB 0.250 28.994 28.738 0.010 0.000 0.903 33 Q HN 0.513 nan 8.270 nan 0.000 0.433 34 Q N -0.017 119.795 119.800 0.021 0.000 2.349 34 Q HA 0.064 4.404 4.340 -0.000 0.000 0.209 34 Q C 1.159 177.177 176.000 0.029 0.000 0.920 34 Q CA 0.536 56.352 55.803 0.021 0.000 0.901 34 Q CB 0.554 29.305 28.738 0.022 0.000 1.021 34 Q HN 0.261 nan 8.270 nan 0.000 0.519 35 S N 0.968 116.694 115.700 0.044 0.000 2.645 35 S HA 0.341 4.811 4.470 -0.000 0.000 0.266 35 S C -0.278 174.413 174.600 0.150 0.000 1.258 35 S CA -0.744 57.503 58.200 0.078 0.000 0.990 35 S CB 0.568 63.806 63.200 0.064 0.000 0.967 35 S HN 0.242 nan 8.310 nan 0.000 0.556 36 Y N -0.667 119.616 120.300 -0.028 0.000 2.376 36 Y HA 0.750 5.300 4.550 -0.000 0.000 0.340 36 Y C -3.265 172.578 175.900 -0.094 0.000 0.965 36 Y CA -4.148 53.923 58.100 -0.048 0.000 1.078 36 Y CB 0.640 39.080 38.460 -0.033 0.000 1.193 36 Y HN 0.446 nan 8.280 nan 0.000 0.452 37 P HA 0.283 nan 4.420 nan 0.000 0.276 37 P C -0.959 176.039 177.300 -0.503 0.000 1.230 37 P CA -0.028 62.907 63.100 -0.276 0.000 0.776 37 P CB 2.129 33.727 31.700 -0.168 0.000 0.888 38 V N 4.638 124.173 119.914 -0.631 0.000 2.789 38 V HA 0.452 4.572 4.120 -0.000 0.000 0.311 38 V C -0.120 175.695 176.094 -0.465 0.000 1.073 38 V CA -0.711 61.187 62.300 -0.670 0.000 0.921 38 V CB 2.745 33.986 31.823 -0.970 0.000 1.009 38 V HN 0.497 nan 8.190 nan 0.000 0.426 39 I N 4.589 125.042 120.570 -0.196 0.000 2.478 39 I HA 0.598 4.768 4.170 -0.000 0.000 0.287 39 I C -0.974 175.231 176.117 0.146 0.000 1.042 39 I CA -0.245 61.063 61.300 0.015 0.000 1.067 39 I CB 1.788 39.791 38.000 0.005 0.000 1.233 39 I HN 1.058 nan 8.210 nan 0.000 0.431 40 Q N 5.756 125.736 119.800 0.301 0.000 2.340 40 Q HA 0.410 4.750 4.340 -0.000 0.000 0.276 40 Q C -1.327 174.857 176.000 0.307 0.000 1.048 40 Q CA -0.881 55.120 55.803 0.329 0.000 0.832 40 Q CB 2.055 30.946 28.738 0.256 0.000 1.373 40 Q HN 0.629 nan 8.270 nan 0.000 0.409 41 Q N 1.441 121.333 119.800 0.153 0.000 2.300 41 Q HA 0.139 4.479 4.340 -0.000 0.000 0.280 41 Q C 0.193 176.169 176.000 -0.039 0.000 1.033 41 Q CA 0.443 56.118 55.803 -0.213 0.000 0.903 41 Q CB 1.073 29.622 28.738 -0.315 0.000 1.195 41 Q HN 0.732 nan 8.270 nan 0.000 0.386 42 V N 0.240 120.140 119.914 -0.022 0.000 3.570 42 V HA 0.413 4.533 4.120 -0.000 0.000 0.257 42 V C 0.118 176.221 176.094 0.015 0.000 1.272 42 V CA 0.629 62.954 62.300 0.042 0.000 1.079 42 V CB 0.344 32.236 31.823 0.114 0.000 0.829 42 V HN 0.840 nan 8.190 nan 0.000 0.454 43 E N -0.702 119.491 120.200 -0.012 0.000 2.388 43 E HA 0.548 4.898 4.350 -0.000 0.000 0.282 43 E C -1.552 175.012 176.600 -0.060 0.000 1.026 43 E CA -0.337 56.064 56.400 0.001 0.000 0.820 43 E CB 2.275 32.035 29.700 0.101 0.000 1.226 43 E HN 0.249 nan 8.360 nan 0.000 0.432 44 T N 2.453 116.906 114.554 -0.168 0.000 2.909 44 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 44 T C -1.451 172.954 174.700 -0.492 0.000 1.073 44 T CA -0.640 61.263 62.100 -0.328 0.000 0.999 44 T CB 1.777 70.519 68.868 -0.211 0.000 1.098 44 T HN 0.473 nan 8.240 nan 0.000 0.477 45 Q N 0.717 120.045 119.800 -0.786 0.000 2.479 45 Q HA 0.544 4.884 4.340 -0.000 0.000 0.276 45 Q C -1.824 173.885 176.000 -0.484 0.000 0.989 45 Q CA -0.592 54.825 55.803 -0.643 0.000 0.864 45 Q CB 2.001 30.249 28.738 -0.816 0.000 1.444 45 Q HN 0.670 nan 8.270 nan 0.000 0.388 46 T N 3.178 117.605 114.554 -0.211 0.000 2.863 46 T HA 0.831 5.180 4.350 -0.000 0.000 0.285 46 T C -1.191 173.530 174.700 0.035 0.000 1.009 46 T CA -0.391 61.617 62.100 -0.152 0.000 0.989 46 T CB 0.584 69.366 68.868 -0.143 0.000 1.004 46 T HN 0.461 nan 8.240 nan 0.000 0.455 47 F N -0.680 119.170 119.950 -0.165 0.000 2.779 47 F HA 0.730 5.257 4.527 -0.000 0.000 0.316 47 F C -1.813 173.966 175.800 -0.035 0.000 1.164 47 F CA -1.342 56.628 58.000 -0.050 0.000 0.924 47 F CB 1.083 40.123 39.000 0.068 0.000 1.348 47 F HN 0.351 nan 8.300 nan 0.000 0.467 48 D N 1.492 121.984 120.400 0.152 0.000 2.440 48 D HA 0.429 5.069 4.640 -0.000 0.000 0.239 48 D C -2.136 174.298 176.300 0.224 0.000 1.084 48 D CA -2.422 51.612 54.000 0.056 0.000 0.843 48 D CB 2.218 43.068 40.800 0.084 0.000 1.097 48 D HN 0.192 nan 8.370 nan 0.000 0.531 49 P HA -0.153 nan 4.420 nan 0.000 0.219 49 P C 0.941 178.363 177.300 0.204 0.000 1.144 49 P CA 1.075 64.303 63.100 0.213 0.000 0.806 49 P CB 0.264 31.956 31.700 -0.014 0.000 0.771 50 A N -0.978 121.949 122.820 0.178 0.000 2.015 50 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 50 A C 2.084 179.740 177.584 0.121 0.000 1.163 50 A CA 1.529 53.654 52.037 0.147 0.000 0.646 50 A CB -0.820 18.257 19.000 0.128 0.000 0.806 50 A HN 0.153 nan 8.150 nan 0.000 0.448 51 N N -0.553 118.230 118.700 0.138 0.000 2.436 51 N HA 0.058 4.798 4.740 -0.000 0.000 0.178 51 N C 0.608 176.162 175.510 0.073 0.000 1.026 51 N CA 0.952 54.064 53.050 0.103 0.000 0.880 51 N CB 0.162 38.717 38.487 0.114 0.000 1.061 51 N HN 0.747 nan 8.380 nan 0.000 0.434 52 R N -1.190 119.379 120.500 0.116 0.000 2.664 52 R HA 0.411 4.751 4.340 -0.000 0.000 0.266 52 R C -0.850 175.471 176.300 0.036 0.000 1.046 52 R CA -0.459 55.619 56.100 -0.036 0.000 0.885 52 R CB 0.788 30.944 30.300 -0.239 0.000 1.254 52 R HN -0.023 nan 8.270 nan 0.000 0.465 53 S N -0.723 114.935 115.700 -0.070 0.000 2.800 53 S HA 0.193 4.663 4.470 -0.000 0.000 0.266 53 S C -0.316 174.346 174.600 0.104 0.000 1.029 53 S CA -0.246 58.042 58.200 0.147 0.000 1.302 53 S CB 0.738 64.078 63.200 0.233 0.000 1.212 53 S HN 0.253 nan 8.310 nan 0.000 0.683 54 V N 2.798 122.560 119.914 -0.254 0.000 2.448 54 V HA 0.687 4.806 4.120 -0.000 0.000 0.295 54 V C -1.311 174.454 176.094 -0.548 0.000 1.025 54 V CA -0.415 61.755 62.300 -0.217 0.000 0.859 54 V CB 1.035 32.748 31.823 -0.184 0.000 0.988 54 V HN 0.425 nan 8.190 nan 0.000 0.431 55 F N 1.976 121.854 119.950 -0.120 0.000 2.565 55 F HA 0.493 5.019 4.527 -0.000 0.000 0.313 55 F C -0.099 175.616 175.800 -0.140 0.000 1.091 55 F CA -0.835 57.095 58.000 -0.116 0.000 0.915 55 F CB 2.011 40.960 39.000 -0.085 0.000 1.208 55 F HN 0.367 nan 8.300 nan 0.000 0.453 56 D N 2.649 123.079 120.400 0.051 0.000 2.453 56 D HA 0.384 5.024 4.640 -0.000 0.000 0.238 56 D C -1.119 175.182 176.300 0.002 0.000 1.088 56 D CA -0.051 53.935 54.000 -0.023 0.000 0.854 56 D CB 1.661 42.424 40.800 -0.060 0.000 1.076 56 D HN 0.203 nan 8.370 nan 0.000 0.533 57 V N 3.099 122.985 119.914 -0.048 0.000 2.607 57 V HA 0.302 4.422 4.120 -0.000 0.000 0.289 57 V C 0.716 176.766 176.094 -0.073 0.000 1.053 57 V CA -0.271 62.006 62.300 -0.039 0.000 0.996 57 V CB 1.737 33.503 31.823 -0.095 0.000 0.995 57 V HN 0.503 nan 8.190 nan 0.000 0.476 58 T N 6.705 121.241 114.554 -0.030 0.000 2.853 58 T HA 0.382 4.731 4.350 -0.000 0.000 0.317 58 T C -2.355 172.346 174.700 0.002 0.000 1.059 58 T CA -0.905 61.178 62.100 -0.029 0.000 0.954 58 T CB 1.143 70.002 68.868 -0.015 0.000 0.994 58 T HN 0.481 nan 8.240 nan 0.000 0.479 59 P HA 0.330 nan 4.420 nan 0.000 0.271 59 P C -0.602 176.753 177.300 0.090 0.000 1.233 59 P CA -0.503 62.679 63.100 0.137 0.000 0.789 59 P CB 0.447 32.333 31.700 0.310 0.000 0.951 60 A N 1.645 124.508 122.820 0.072 0.000 2.354 60 A HA 0.268 4.587 4.320 -0.000 0.000 0.269 60 A C 0.123 177.678 177.584 -0.049 0.000 1.109 60 A CA -0.255 51.772 52.037 -0.016 0.000 0.800 60 A CB -0.374 18.578 19.000 -0.080 0.000 1.045 60 A HN 0.461 nan 8.150 nan 0.000 0.489 61 N N 1.091 119.763 118.700 -0.047 0.000 3.229 61 N HA 0.411 5.151 4.740 -0.000 0.000 0.275 61 N C -1.141 174.317 175.510 -0.086 0.000 1.225 61 N CA 0.165 53.191 53.050 -0.040 0.000 1.119 61 N CB 0.610 39.094 38.487 -0.005 0.000 1.392 61 N HN 0.327 nan 8.380 nan 0.000 0.520 62 V N -0.263 119.533 119.914 -0.197 0.000 2.656 62 V HA 0.748 4.868 4.120 -0.000 0.000 0.307 62 V C 1.144 177.138 176.094 -0.166 0.000 1.051 62 V CA -0.728 61.436 62.300 -0.227 0.000 0.893 62 V CB 1.174 32.725 31.823 -0.453 0.000 0.999 62 V HN 0.621 nan 8.190 nan 0.000 0.426 63 G N 4.422 113.206 108.800 -0.026 0.000 2.602 63 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.317 63 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.317 63 G C -0.149 174.760 174.900 0.014 0.000 1.327 63 G CA 0.618 45.732 45.100 0.023 0.000 0.971 63 G HN 0.802 nan 8.290 nan 0.000 0.540 64 I N 0.553 121.155 120.570 0.055 0.000 2.315 64 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 64 I C 0.391 176.552 176.117 0.074 0.000 1.006 64 I CA -0.625 60.697 61.300 0.036 0.000 1.265 64 I CB 1.626 39.636 38.000 0.015 0.000 1.387 64 I HN 0.310 nan 8.210 nan 0.000 0.475 65 V N 7.513 127.437 119.914 0.017 0.000 2.461 65 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 65 V C 0.850 176.879 176.094 -0.109 0.000 1.047 65 V CA -0.271 61.999 62.300 -0.050 0.000 0.955 65 V CB 1.107 32.853 31.823 -0.129 0.000 0.988 65 V HN 0.736 nan 8.190 nan 0.000 0.471 66 K N 2.823 123.163 120.400 -0.100 0.000 2.276 66 K HA 0.468 4.788 4.320 -0.000 0.000 0.198 66 K C 0.826 177.332 176.600 -0.155 0.000 1.052 66 K CA 0.752 57.024 56.287 -0.025 0.000 0.984 66 K CB 0.591 33.168 32.500 0.127 0.000 0.836 66 K HN 0.933 nan 8.250 nan 0.000 0.490 67 G N -0.381 108.097 108.800 -0.536 0.000 2.315 67 G HA2 0.371 4.331 3.960 -0.000 0.000 0.294 67 G HA3 0.371 4.331 3.960 -0.000 0.000 0.294 67 G C -1.941 172.084 174.900 -1.457 0.000 1.300 67 G CA -1.019 43.392 45.100 -1.148 0.000 0.843 67 G HN -0.019 nan 8.290 nan 0.000 0.527 68 F N -0.454 118.897 119.950 -0.999 0.000 2.547 68 F HA 0.654 5.181 4.527 -0.000 0.000 0.316 68 F C -0.229 175.433 175.800 -0.229 0.000 1.121 68 F CA -0.782 56.975 58.000 -0.404 0.000 0.911 68 F CB 2.382 41.235 39.000 -0.244 0.000 1.179 68 F HN 0.417 nan 8.300 nan 0.000 0.443 69 L N 4.591 126.061 121.223 0.411 0.000 2.265 69 L HA 0.709 5.049 4.340 -0.000 0.000 0.289 69 L C -1.096 176.099 176.870 0.542 0.000 1.033 69 L CA -0.474 54.742 54.840 0.626 0.000 0.814 69 L CB 1.080 43.562 42.059 0.705 0.000 1.203 69 L HN 0.397 nan 8.230 nan 0.000 0.423 70 V N 5.649 125.843 119.914 0.467 0.000 2.347 70 V HA 0.390 4.510 4.120 -0.000 0.000 0.280 70 V C 0.078 176.353 176.094 0.301 0.000 1.021 70 V CA -0.751 61.766 62.300 0.361 0.000 0.847 70 V CB 1.138 33.102 31.823 0.236 0.000 0.990 70 V HN 0.719 nan 8.190 nan 0.000 0.444 71 K N 4.326 124.822 120.400 0.159 0.000 2.211 71 K HA 0.703 5.023 4.320 -0.000 0.000 0.275 71 K C -1.381 175.217 176.600 -0.003 0.000 1.024 71 K CA -0.395 55.735 56.287 -0.261 0.000 0.887 71 K CB 1.578 33.938 32.500 -0.233 0.000 1.084 71 K HN 0.502 nan 8.250 nan 0.000 0.463 72 V N 3.449 123.342 119.914 -0.035 0.000 2.577 72 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 72 V C -0.431 175.692 176.094 0.049 0.000 1.042 72 V CA -0.859 61.522 62.300 0.136 0.000 0.872 72 V CB 1.629 33.661 31.823 0.349 0.000 0.998 72 V HN 0.998 nan 8.190 nan 0.000 0.423 73 T N 1.301 115.872 114.554 0.027 0.000 2.893 73 T HA 0.955 5.305 4.350 -0.000 0.000 0.291 73 T C -0.498 174.214 174.700 0.020 0.000 1.028 73 T CA -0.522 61.594 62.100 0.026 0.000 0.995 73 T CB 2.265 71.136 68.868 0.004 0.000 1.051 73 T HN 1.361 nan 8.240 nan 0.000 0.470 74 A N 0.940 123.809 122.820 0.082 0.000 2.594 74 A HA 0.925 5.244 4.320 -0.000 0.000 0.295 74 A C -0.908 176.766 177.584 0.151 0.000 1.071 74 A CA -0.816 51.303 52.037 0.136 0.000 0.685 74 A CB 1.338 20.534 19.000 0.326 0.000 1.285 74 A HN 1.663 nan 8.150 nan 0.000 0.405 75 A N 1.346 124.256 122.820 0.151 0.000 2.330 75 A HA 0.775 5.095 4.320 -0.000 0.000 0.313 75 A C -0.858 176.785 177.584 0.098 0.000 1.124 75 A CA -0.306 51.785 52.037 0.090 0.000 0.774 75 A CB 0.449 19.474 19.000 0.041 0.000 1.198 75 A HN 0.751 nan 8.150 nan 0.000 0.465 76 I N 1.993 122.564 120.570 0.002 0.000 2.406 76 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 76 I C -0.259 175.753 176.117 -0.174 0.000 0.999 76 I CA -0.244 60.980 61.300 -0.126 0.000 1.124 76 I CB 2.434 40.333 38.000 -0.167 0.000 1.289 76 I HN 0.557 nan 8.210 nan 0.000 0.441 77 T N 4.390 118.827 114.554 -0.195 0.000 2.771 77 T HA 0.214 4.563 4.350 -0.000 0.000 0.281 77 T C -0.042 174.497 174.700 -0.268 0.000 0.982 77 T CA -0.521 61.468 62.100 -0.186 0.000 0.978 77 T CB 0.835 69.633 68.868 -0.117 0.000 0.930 77 T HN 0.397 nan 8.240 nan 0.000 0.447 78 N N 3.269 121.824 118.700 -0.241 0.000 2.558 78 N HA 0.104 4.844 4.740 -0.000 0.000 0.233 78 N C 0.229 175.659 175.510 -0.133 0.000 1.038 78 N CA -0.425 52.484 53.050 -0.236 0.000 0.934 78 N CB 0.111 38.467 38.487 -0.218 0.000 1.175 78 N HN 0.368 nan 8.380 nan 0.000 0.512 79 N N 1.406 120.030 118.700 -0.127 0.000 2.421 79 N HA -0.071 4.668 4.740 -0.000 0.000 0.201 79 N C -0.262 175.213 175.510 -0.058 0.000 1.198 79 N CA 0.053 53.052 53.050 -0.085 0.000 0.838 79 N CB -0.247 38.187 38.487 -0.089 0.000 1.011 79 N HN 0.646 nan 8.380 nan 0.000 0.463 80 H N -0.019 118.982 119.070 -0.114 0.000 2.707 80 H HA 0.271 4.827 4.556 -0.000 0.000 0.359 80 H C 1.296 176.585 175.328 -0.066 0.000 1.113 80 H CA 0.132 56.128 56.048 -0.086 0.000 1.422 80 H CB 1.191 30.900 29.762 -0.088 0.000 1.443 80 H HN 0.100 nan 8.280 nan 0.000 0.591 81 A N 2.619 125.262 122.820 -0.296 0.000 1.883 81 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 81 A C 1.949 179.591 177.584 0.096 0.000 1.186 81 A CA 2.579 54.556 52.037 -0.099 0.000 0.624 81 A CB -0.747 18.140 19.000 -0.189 0.000 0.822 81 A HN 0.889 nan 8.150 nan 0.000 0.444 82 T N -5.162 109.605 114.554 0.356 0.000 3.048 82 T HA 0.188 4.537 4.350 -0.000 0.000 0.254 82 T C 0.280 175.030 174.700 0.083 0.000 0.942 82 T CA -0.214 61.999 62.100 0.188 0.000 0.931 82 T CB 0.048 68.993 68.868 0.128 0.000 1.220 82 T HN 0.195 nan 8.240 nan 0.000 0.503 83 E N 1.999 122.160 120.200 -0.066 0.000 2.331 83 E HA 0.700 5.050 4.350 -0.000 0.000 0.272 83 E C -0.091 176.356 176.600 -0.255 0.000 1.036 83 E CA -0.194 56.002 56.400 -0.340 0.000 0.864 83 E CB 1.671 30.942 29.700 -0.716 0.000 1.035 83 E HN 0.595 nan 8.360 nan 0.000 0.408 84 A N 2.112 124.837 122.820 -0.158 0.000 2.247 84 A HA 0.700 5.020 4.320 -0.000 0.000 0.313 84 A C -0.164 177.358 177.584 -0.104 0.000 1.109 84 A CA -0.544 51.424 52.037 -0.115 0.000 0.890 84 A CB 0.832 19.793 19.000 -0.066 0.000 1.239 84 A HN 0.403 nan 8.150 nan 0.000 0.506 85 V N -4.077 115.795 119.914 -0.069 0.000 3.078 85 V HA 0.941 5.061 4.120 -0.000 0.000 0.311 85 V C -0.270 175.909 176.094 0.143 0.000 1.138 85 V CA -0.330 61.983 62.300 0.022 0.000 1.007 85 V CB 1.130 32.968 31.823 0.026 0.000 1.045 85 V HN 1.906 nan 8.190 nan 0.000 0.432 86 A N 2.727 125.692 122.820 0.242 0.000 2.401 86 A HA 0.849 5.169 4.320 -0.000 0.000 0.310 86 A C -0.520 177.191 177.584 0.211 0.000 1.075 86 A CA -0.981 51.215 52.037 0.264 0.000 0.746 86 A CB 1.433 20.497 19.000 0.108 0.000 1.277 86 A HN 1.118 nan 8.150 nan 0.000 0.425 87 L N 1.891 123.121 121.223 0.011 0.000 2.543 87 L HA 0.099 4.439 4.340 -0.000 0.000 0.285 87 L C 1.514 178.278 176.870 -0.177 0.000 1.236 87 L CA 0.240 54.870 54.840 -0.351 0.000 0.871 87 L CB 0.319 42.220 42.059 -0.264 0.000 1.121 87 L HN 0.996 nan 8.230 nan 0.000 0.501 88 T N -1.922 112.501 114.554 -0.217 0.000 2.770 88 T HA 0.093 4.443 4.350 -0.000 0.000 0.281 88 T C 0.757 175.367 174.700 -0.151 0.000 0.981 88 T CA -0.785 61.207 62.100 -0.180 0.000 0.955 88 T CB 0.783 69.512 68.868 -0.231 0.000 1.060 88 T HN 0.506 nan 8.240 nan 0.000 0.531 89 D N -0.257 120.022 120.400 -0.202 0.000 2.178 89 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 89 D C 1.517 177.946 176.300 0.215 0.000 0.980 89 D CA 1.051 55.019 54.000 -0.052 0.000 0.842 89 D CB -0.224 40.491 40.800 -0.141 0.000 0.948 89 D HN 0.464 nan 8.370 nan 0.000 0.472 90 F N 0.162 120.039 119.950 -0.123 0.000 2.473 90 F HA 0.238 4.765 4.527 -0.000 0.000 0.294 90 F C 2.195 177.943 175.800 -0.087 0.000 1.103 90 F CA 0.456 58.420 58.000 -0.060 0.000 1.442 90 F CB -0.926 38.004 39.000 -0.117 0.000 1.097 90 F HN -0.022 nan 8.300 nan 0.000 0.547 91 G N 2.552 111.374 108.800 0.037 0.000 2.685 91 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.329 91 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.329 91 G C -1.191 173.684 174.900 -0.041 0.000 1.271 91 G CA 0.552 45.594 45.100 -0.097 0.000 1.003 91 G HN 0.201 nan 8.290 nan 0.000 0.549 92 P HA 0.075 nan 4.420 nan 0.000 0.228 92 P C 1.634 178.948 177.300 0.023 0.000 1.151 92 P CA 2.247 65.359 63.100 0.019 0.000 0.770 92 P CB -0.381 31.323 31.700 0.006 0.000 0.786 93 A N 0.072 122.863 122.820 -0.047 0.000 2.121 93 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 93 A C 1.830 179.546 177.584 0.221 0.000 1.154 93 A CA 1.072 53.073 52.037 -0.061 0.000 0.679 93 A CB -1.008 17.845 19.000 -0.245 0.000 0.795 93 A HN 0.116 nan 8.150 nan 0.000 0.458 94 N N -0.378 118.453 118.700 0.218 0.000 2.276 94 N HA 0.198 4.938 4.740 -0.000 0.000 0.212 94 N C 1.009 176.665 175.510 0.243 0.000 1.127 94 N CA 0.089 53.291 53.050 0.254 0.000 0.834 94 N CB 0.106 38.726 38.487 0.221 0.000 1.014 94 N HN 0.471 nan 8.380 nan 0.000 0.491 95 L N -0.396 121.007 121.223 0.299 0.000 2.217 95 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 95 L C 0.261 177.320 176.870 0.315 0.000 1.107 95 L CA 0.734 55.780 54.840 0.343 0.000 0.783 95 L CB 0.285 42.569 42.059 0.375 0.000 0.919 95 L HN -0.122 nan 8.230 nan 0.000 0.442 96 V N -0.000 120.014 119.914 0.167 0.000 2.384 96 V HA 0.128 4.247 4.120 -0.000 0.000 0.287 96 V C 0.562 176.561 176.094 -0.158 0.000 1.020 96 V CA -0.539 61.627 62.300 -0.224 0.000 0.850 96 V CB 1.664 33.034 31.823 -0.754 0.000 0.987 96 V HN 0.167 nan 8.190 nan 0.000 0.436 97 Q N 3.503 123.227 119.800 -0.127 0.000 2.096 97 Q HA 0.163 4.503 4.340 -0.000 0.000 0.197 97 Q C 0.519 176.426 176.000 -0.155 0.000 0.964 97 Q CA 1.128 56.896 55.803 -0.058 0.000 0.838 97 Q CB 0.387 29.124 28.738 -0.002 0.000 0.906 97 Q HN 0.630 nan 8.270 nan 0.000 0.444 98 R N -1.249 119.106 120.500 -0.241 0.000 2.710 98 R HA 0.620 4.959 4.340 -0.000 0.000 0.270 98 R C -1.397 174.710 176.300 -0.321 0.000 1.021 98 R CA -0.512 55.435 56.100 -0.254 0.000 0.889 98 R CB 2.189 32.387 30.300 -0.171 0.000 1.243 98 R HN -0.184 nan 8.270 nan 0.000 0.464 99 V N 2.539 122.280 119.914 -0.289 0.000 2.841 99 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 99 V C -0.745 175.227 176.094 -0.202 0.000 1.090 99 V CA -0.682 61.447 62.300 -0.284 0.000 0.930 99 V CB 2.340 33.972 31.823 -0.318 0.000 1.014 99 V HN 0.561 nan 8.190 nan 0.000 0.425 100 I N 3.583 124.051 120.570 -0.170 0.000 2.644 100 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 100 I C -1.762 174.284 176.117 -0.119 0.000 1.180 100 I CA -0.683 60.521 61.300 -0.159 0.000 1.040 100 I CB 2.360 40.270 38.000 -0.151 0.000 1.255 100 I HN 0.696 nan 8.210 nan 0.000 0.422 101 Y N 6.165 126.299 120.300 -0.277 0.000 2.376 101 Y HA 0.604 5.154 4.550 -0.000 0.000 0.340 101 Y C -1.754 173.995 175.900 -0.251 0.000 0.965 101 Y CA -0.722 57.254 58.100 -0.208 0.000 1.078 101 Y CB 1.422 39.777 38.460 -0.176 0.000 1.193 101 Y HN 0.368 nan 8.280 nan 0.000 0.452 102 Y N 4.623 124.397 120.300 -0.876 0.000 2.364 102 Y HA 0.289 4.839 4.550 -0.000 0.000 0.340 102 Y C -0.174 175.167 175.900 -0.932 0.000 0.975 102 Y CA -1.029 56.718 58.100 -0.589 0.000 1.089 102 Y CB 1.182 39.444 38.460 -0.329 0.000 1.192 102 Y HN 0.718 nan 8.280 nan 0.000 0.454 103 D N 2.813 123.063 120.400 -0.251 0.000 2.411 103 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 103 D C -2.210 174.092 176.300 0.003 0.000 1.201 103 D CA -2.323 51.642 54.000 -0.058 0.000 0.996 103 D CB 0.449 41.412 40.800 0.271 0.000 1.101 103 D HN 0.169 nan 8.370 nan 0.000 0.504 104 P HA -0.068 nan 4.420 nan 0.000 0.223 104 P C -0.062 177.261 177.300 0.038 0.000 1.144 104 P CA 1.016 64.137 63.100 0.034 0.000 0.783 104 P CB 0.095 31.825 31.700 0.050 0.000 0.771 105 D N -1.665 118.775 120.400 0.067 0.000 2.325 105 D HA 0.021 4.661 4.640 -0.000 0.000 0.225 105 D C 0.461 176.801 176.300 0.066 0.000 1.096 105 D CA -0.001 54.037 54.000 0.063 0.000 0.844 105 D CB -1.011 39.836 40.800 0.078 0.000 0.925 105 D HN 0.164 nan 8.370 nan 0.000 0.513 106 N N 0.883 119.624 118.700 0.068 0.000 2.741 106 N HA -0.244 4.495 4.740 -0.000 0.000 0.251 106 N C -0.266 175.351 175.510 0.177 0.000 1.112 106 N CA 0.222 53.331 53.050 0.099 0.000 0.750 106 N CB -0.439 38.069 38.487 0.035 0.000 1.119 106 N HN 0.204 nan 8.380 nan 0.000 0.561 107 Q N 1.502 121.397 119.800 0.159 0.000 2.257 107 Q HA 0.348 4.688 4.340 -0.000 0.000 0.255 107 Q C -0.391 175.685 176.000 0.127 0.000 0.920 107 Q CA -0.237 55.641 55.803 0.125 0.000 0.927 107 Q CB 0.822 29.611 28.738 0.086 0.000 1.229 107 Q HN 0.170 nan 8.270 nan 0.000 0.433 108 R N 2.925 123.420 120.500 -0.008 0.000 2.539 108 R HA 0.249 4.589 4.340 -0.000 0.000 0.275 108 R C 0.291 176.569 176.300 -0.037 0.000 1.077 108 R CA -0.080 55.907 56.100 -0.188 0.000 1.097 108 R CB 0.623 30.714 30.300 -0.350 0.000 1.018 108 R HN 0.824 nan 8.270 nan 0.000 0.483 109 H N 0.129 119.158 119.070 -0.068 0.000 4.983 109 H HA 0.139 4.695 4.556 -0.000 0.000 0.113 109 H C 0.065 175.309 175.328 -0.140 0.000 1.343 109 H CA -0.243 55.783 56.048 -0.037 0.000 0.892 109 H CB 0.271 30.084 29.762 0.085 0.000 1.645 109 H HN 0.389 nan 8.280 nan 0.000 0.259 110 T N 1.540 116.096 114.554 0.002 0.000 2.916 110 T HA 0.093 4.443 4.350 -0.000 0.000 0.303 110 T C 0.123 174.752 174.700 -0.118 0.000 1.025 110 T CA 0.444 62.466 62.100 -0.130 0.000 1.142 110 T CB 0.323 69.077 68.868 -0.190 0.000 0.947 110 T HN 0.398 nan 8.240 nan 0.000 0.544 111 E N 2.212 122.346 120.200 -0.109 0.000 2.642 111 E HA 0.423 4.773 4.350 -0.000 0.000 0.284 111 E C -0.807 175.745 176.600 -0.081 0.000 1.039 111 E CA -0.482 55.853 56.400 -0.108 0.000 0.777 111 E CB 0.910 30.555 29.700 -0.093 0.000 1.473 111 E HN 0.584 nan 8.360 nan 0.000 0.388 112 T N 0.970 115.451 114.554 -0.121 0.000 2.671 112 T HA 0.467 4.817 4.350 -0.000 0.000 0.300 112 T C -0.862 173.698 174.700 -0.233 0.000 1.238 112 T CA -0.202 61.822 62.100 -0.126 0.000 1.020 112 T CB 1.091 69.967 68.868 0.013 0.000 1.503 112 T HN 0.423 nan 8.240 nan 0.000 0.497 113 S N -0.008 115.476 115.700 -0.361 0.000 2.617 113 S HA 0.466 4.936 4.470 -0.000 0.000 0.269 113 S C 1.616 175.943 174.600 -0.456 0.000 1.292 113 S CA 0.025 57.929 58.200 -0.493 0.000 1.010 113 S CB 0.850 63.469 63.200 -0.968 0.000 0.944 113 S HN 1.060 nan 8.310 nan 0.000 0.536 114 G N 1.068 109.664 108.800 -0.340 0.000 2.422 114 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 114 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 114 G C 1.307 176.194 174.900 -0.020 0.000 1.146 114 G CA 0.713 45.664 45.100 -0.248 0.000 0.769 114 G HN 0.956 nan 8.290 nan 0.000 0.547 115 W N 0.180 121.422 121.300 -0.098 0.000 2.388 115 W HA -0.035 4.625 4.660 -0.000 0.000 0.294 115 W C 1.811 178.009 176.519 -0.535 0.000 1.212 115 W CA 0.840 57.929 57.345 -0.427 0.000 1.271 115 W CB -1.075 28.063 29.460 -0.536 0.000 1.126 115 W HN 0.401 nan 8.180 nan 0.000 0.535 116 H N 1.324 120.032 119.070 -0.603 0.000 2.326 116 H HA -0.196 4.360 4.556 -0.000 0.000 0.301 116 H C 2.361 177.580 175.328 -0.182 0.000 1.081 116 H CA 1.936 57.761 56.048 -0.373 0.000 1.334 116 H CB -0.141 29.235 29.762 -0.643 0.000 1.385 116 H HN 0.126 nan 8.280 nan 0.000 0.504 117 L N 0.994 121.986 121.223 -0.385 0.000 2.012 117 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 117 L C 2.615 179.379 176.870 -0.177 0.000 1.073 117 L CA 2.464 57.112 54.840 -0.321 0.000 0.748 117 L CB -1.124 40.821 42.059 -0.189 0.000 0.891 117 L HN 0.370 nan 8.230 nan 0.000 0.431 118 H N -1.174 117.819 119.070 -0.127 0.000 2.319 118 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 118 H C 1.874 177.175 175.328 -0.045 0.000 1.092 118 H CA 2.310 58.279 56.048 -0.131 0.000 1.302 118 H CB -0.419 29.237 29.762 -0.176 0.000 1.373 118 H HN 0.349 nan 8.280 nan 0.000 0.497 119 F N -0.151 119.673 119.950 -0.210 0.000 2.171 119 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 119 F C 2.706 178.430 175.800 -0.126 0.000 1.090 119 F CA 0.951 58.877 58.000 -0.123 0.000 1.293 119 F CB -1.027 37.939 39.000 -0.056 0.000 1.013 119 F HN 0.107 nan 8.300 nan 0.000 0.486 120 V N 0.026 119.916 119.914 -0.041 0.000 2.427 120 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 120 V C 1.947 177.974 176.094 -0.112 0.000 1.051 120 V CA 1.805 64.068 62.300 -0.062 0.000 1.048 120 V CB -0.855 30.865 31.823 -0.173 0.000 0.666 120 V HN 0.366 nan 8.190 nan 0.000 0.456 121 N N -0.231 118.314 118.700 -0.259 0.000 2.104 121 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 121 N C 1.852 177.215 175.510 -0.245 0.000 1.024 121 N CA 1.823 54.596 53.050 -0.462 0.000 0.853 121 N CB -0.212 37.611 38.487 -1.107 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.667 115.116 114.554 -0.175 0.000 2.674 122 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 122 T C 2.063 176.730 174.700 -0.056 0.000 1.039 122 T CA 1.255 63.328 62.100 -0.044 0.000 1.150 122 T CB -0.368 68.460 68.868 -0.066 0.000 0.864 122 T HN 0.337 nan 8.240 nan 0.000 0.427 123 A N 1.884 124.680 122.820 -0.039 0.000 1.908 123 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 123 A C 2.281 179.849 177.584 -0.027 0.000 1.181 123 A CA 1.459 53.433 52.037 -0.105 0.000 0.627 123 A CB -0.349 18.551 19.000 -0.166 0.000 0.818 123 A HN 0.319 nan 8.150 nan 0.000 0.445 124 K N -0.693 119.697 120.400 -0.017 0.000 2.155 124 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 124 K C 2.179 178.758 176.600 -0.035 0.000 1.052 124 K CA 1.406 57.673 56.287 -0.033 0.000 0.948 124 K CB -0.224 32.227 32.500 -0.082 0.000 0.728 124 K HN 0.769 nan 8.250 nan 0.000 0.448 125 Q N 0.099 119.895 119.800 -0.007 0.000 2.230 125 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 125 Q C 0.668 176.656 176.000 -0.021 0.000 0.963 125 Q CA 1.360 57.168 55.803 0.009 0.000 0.866 125 Q CB 0.197 28.995 28.738 0.100 0.000 0.931 125 Q HN 0.434 nan 8.270 nan 0.000 0.452 126 G N -0.573 108.207 108.800 -0.034 0.000 2.141 126 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.242 126 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.242 126 G C -0.059 174.798 174.900 -0.072 0.000 0.982 126 G CA 0.195 45.266 45.100 -0.049 0.000 0.662 126 G HN 0.865 nan 8.290 nan 0.000 0.527 127 A N -1.239 121.535 122.820 -0.076 0.000 2.583 127 A HA 0.780 5.100 4.320 -0.000 0.000 0.292 127 A C -3.099 174.451 177.584 -0.057 0.000 1.045 127 A CA -0.711 51.274 52.037 -0.087 0.000 0.672 127 A CB 0.759 19.719 19.000 -0.068 0.000 1.283 127 A HN 0.191 nan 8.150 nan 0.000 0.419 128 P HA 0.087 nan 4.420 nan 0.000 0.257 128 P C -0.299 177.065 177.300 0.107 0.000 1.162 128 P CA 0.564 63.678 63.100 0.024 0.000 0.762 128 P CB -0.173 31.540 31.700 0.022 0.000 0.753 129 F N 5.756 125.712 119.950 0.010 0.000 2.604 129 F HA -0.065 4.462 4.527 -0.000 0.000 0.393 129 F C 1.192 177.007 175.800 0.026 0.000 1.043 129 F CA 0.312 58.325 58.000 0.021 0.000 1.227 129 F CB -0.428 38.612 39.000 0.067 0.000 1.016 129 F HN 0.275 nan 8.300 nan 0.000 0.556 130 L N 3.561 124.429 121.223 -0.591 0.000 3.839 130 L HA -0.325 4.015 4.340 -0.000 0.000 0.416 130 L C 0.633 177.346 176.870 -0.262 0.000 1.195 130 L CA 0.560 55.059 54.840 -0.568 0.000 0.946 130 L CB -2.333 39.218 42.059 -0.847 0.000 1.891 130 L HN 0.728 nan 8.230 nan 0.000 0.963 131 S N -1.874 113.739 115.700 -0.145 0.000 2.632 131 S HA 0.520 4.990 4.470 -0.000 0.000 0.267 131 S C 0.327 174.874 174.600 -0.087 0.000 1.276 131 S CA -0.048 58.105 58.200 -0.078 0.000 0.998 131 S CB 2.165 65.346 63.200 -0.033 0.000 0.953 131 S HN 0.277 nan 8.310 nan 0.000 0.547 132 S N 1.683 117.348 115.700 -0.059 0.000 2.498 132 S HA 0.392 4.862 4.470 -0.000 0.000 0.324 132 S C -0.329 174.247 174.600 -0.040 0.000 1.071 132 S CA -0.835 57.334 58.200 -0.051 0.000 1.113 132 S CB -0.030 63.151 63.200 -0.032 0.000 0.976 132 S HN 0.787 nan 8.310 nan 0.000 0.462 133 M N 5.999 125.568 119.600 -0.051 0.000 2.238 133 M HA 0.349 4.829 4.480 -0.000 0.000 0.347 133 M C -1.079 175.200 176.300 -0.035 0.000 1.173 133 M CA -0.170 55.101 55.300 -0.048 0.000 1.147 133 M CB 0.577 33.138 32.600 -0.064 0.000 1.547 133 M HN 0.420 nan 8.290 nan 0.000 0.455 134 V N 4.856 124.754 119.914 -0.025 0.000 2.465 134 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 134 V C 0.445 176.528 176.094 -0.019 0.000 1.045 134 V CA -0.231 62.061 62.300 -0.014 0.000 0.938 134 V CB 1.049 32.868 31.823 -0.007 0.000 0.986 134 V HN 1.014 nan 8.190 nan 0.000 0.467 135 T N -0.071 114.476 114.554 -0.012 0.000 2.838 135 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 135 T C 0.322 175.024 174.700 0.004 0.000 1.113 135 T CA -0.291 61.800 62.100 -0.016 0.000 1.008 135 T CB 1.916 70.760 68.868 -0.040 0.000 1.259 135 T HN 0.638 nan 8.240 nan 0.000 0.520 136 D N 0.036 120.438 120.400 0.003 0.000 2.336 136 D HA 0.063 4.703 4.640 -0.000 0.000 0.229 136 D C 0.672 176.988 176.300 0.028 0.000 1.061 136 D CA -0.152 53.856 54.000 0.012 0.000 0.875 136 D CB -0.407 40.397 40.800 0.006 0.000 0.904 136 D HN 0.384 nan 8.370 nan 0.000 0.525 137 S N 1.805 117.531 115.700 0.043 0.000 2.544 137 S HA 0.068 4.538 4.470 -0.000 0.000 0.290 137 S C -1.083 173.570 174.600 0.088 0.000 1.276 137 S CA -0.944 57.307 58.200 0.085 0.000 1.075 137 S CB 0.979 64.278 63.200 0.165 0.000 0.849 137 S HN 0.097 nan 8.310 nan 0.000 0.494 138 P HA 0.044 nan 4.420 nan 0.000 0.225 138 P C 0.123 177.438 177.300 0.025 0.000 1.156 138 P CA 0.425 63.546 63.100 0.035 0.000 0.787 138 P CB -0.070 31.644 31.700 0.023 0.000 0.802 139 I N 1.145 121.743 120.570 0.047 0.000 2.648 139 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 139 I C 1.329 177.385 176.117 -0.103 0.000 1.153 139 I CA 0.225 61.493 61.300 -0.053 0.000 1.426 139 I CB 0.207 38.171 38.000 -0.060 0.000 1.381 139 I HN -0.264 nan 8.210 nan 0.000 0.571 140 K N 6.621 126.909 120.400 -0.186 0.000 3.233 140 K HA 0.081 4.400 4.320 -0.000 0.000 0.283 140 K C -0.737 175.769 176.600 -0.158 0.000 1.209 140 K CA -0.015 56.194 56.287 -0.131 0.000 1.197 140 K CB -0.644 31.799 32.500 -0.094 0.000 1.431 140 K HN 0.368 nan 8.250 nan 0.000 0.326 141 Y N 0.667 120.954 120.300 -0.022 0.000 2.296 141 Y HA 0.307 4.857 4.550 -0.000 0.000 0.343 141 Y C 1.552 177.437 175.900 -0.026 0.000 1.292 141 Y CA 0.678 58.761 58.100 -0.027 0.000 1.490 141 Y CB 0.824 39.266 38.460 -0.030 0.000 1.359 141 Y HN 0.477 nan 8.280 nan 0.000 0.599 142 G N 0.114 109.003 108.800 0.148 0.000 2.332 142 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.265 142 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.265 142 G C -1.742 173.178 174.900 0.034 0.000 1.329 142 G CA -0.856 44.284 45.100 0.068 0.000 0.949 142 G HN 0.512 nan 8.290 nan 0.000 0.476 143 D N 0.602 121.012 120.400 0.017 0.000 2.517 143 D HA 0.441 5.081 4.640 -0.000 0.000 0.220 143 D C 1.442 177.745 176.300 0.006 0.000 1.158 143 D CA 0.051 54.055 54.000 0.006 0.000 0.992 143 D CB 0.674 41.478 40.800 0.006 0.000 1.058 143 D HN 0.231 nan 8.370 nan 0.000 0.516 144 V N 2.718 122.634 119.914 0.003 0.000 2.500 144 V HA -0.045 4.075 4.120 -0.000 0.000 0.243 144 V C 1.910 178.003 176.094 -0.001 0.000 1.039 144 V CA 0.841 63.140 62.300 -0.002 0.000 1.053 144 V CB -0.141 31.677 31.823 -0.008 0.000 0.695 144 V HN 0.551 nan 8.190 nan 0.000 0.463 145 M N -0.405 119.192 119.600 -0.005 0.000 2.371 145 M HA 0.282 4.762 4.480 -0.000 0.000 0.246 145 M C 0.358 176.666 176.300 0.013 0.000 1.103 145 M CA 0.067 55.367 55.300 0.000 0.000 1.010 145 M CB -0.637 31.954 32.600 -0.015 0.000 1.457 145 M HN 0.387 nan 8.290 nan 0.000 0.486 146 N N 1.206 119.913 118.700 0.012 0.000 2.699 146 N HA -0.143 4.596 4.740 -0.000 0.000 0.256 146 N C 1.041 176.580 175.510 0.048 0.000 0.993 146 N CA 0.266 53.332 53.050 0.027 0.000 0.759 146 N CB -1.216 37.294 38.487 0.039 0.000 0.906 146 N HN 0.163 nan 8.380 nan 0.000 0.541 147 V N -0.235 119.686 119.914 0.011 0.000 2.287 147 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 147 V C 1.392 177.562 176.094 0.127 0.000 1.053 147 V CA 1.592 63.899 62.300 0.012 0.000 1.027 147 V CB 0.001 31.715 31.823 -0.182 0.000 0.646 147 V HN 0.408 nan 8.190 nan 0.000 0.447 148 I N 0.263 120.869 120.570 0.059 0.000 2.439 148 I HA 0.475 4.645 4.170 -0.000 0.000 0.285 148 I C -1.145 175.003 176.117 0.051 0.000 1.021 148 I CA -0.312 61.040 61.300 0.087 0.000 1.091 148 I CB 1.814 39.841 38.000 0.046 0.000 1.242 148 I HN 0.214 nan 8.210 nan 0.000 0.439 149 D N 5.454 125.892 120.400 0.063 0.000 2.837 149 D HA 0.799 5.439 4.640 -0.000 0.000 0.220 149 D C -1.581 174.761 176.300 0.069 0.000 1.236 149 D CA -0.296 53.738 54.000 0.057 0.000 0.838 149 D CB 2.255 43.091 40.800 0.060 0.000 1.647 149 D HN 0.669 nan 8.370 nan 0.000 0.486 150 A N 2.662 125.525 122.820 0.071 0.000 2.555 150 A HA 0.647 4.967 4.320 -0.000 0.000 0.297 150 A C -2.813 174.847 177.584 0.126 0.000 1.060 150 A CA -1.174 50.929 52.037 0.111 0.000 0.710 150 A CB 1.427 20.477 19.000 0.083 0.000 1.282 150 A HN 0.432 nan 8.150 nan 0.000 0.399 151 P HA 0.322 nan 4.420 nan 0.000 0.271 151 P C 0.962 178.388 177.300 0.210 0.000 1.216 151 P CA 0.425 63.617 63.100 0.153 0.000 0.771 151 P CB 1.324 33.098 31.700 0.122 0.000 0.864 152 A N 3.414 126.313 122.820 0.132 0.000 1.978 152 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 152 A C 1.093 178.792 177.584 0.192 0.000 1.170 152 A CA 1.904 54.013 52.037 0.120 0.000 0.636 152 A CB -0.948 18.094 19.000 0.070 0.000 0.810 152 A HN 0.747 nan 8.150 nan 0.000 0.448 153 T N -3.937 110.725 114.554 0.180 0.000 2.868 153 T HA 0.664 5.014 4.350 -0.000 0.000 0.306 153 T C -0.897 173.822 174.700 0.032 0.000 1.224 153 T CA -0.625 61.565 62.100 0.150 0.000 1.012 153 T CB 1.417 70.325 68.868 0.066 0.000 1.221 153 T HN 0.173 nan 8.240 nan 0.000 0.499 154 I N 1.751 122.255 120.570 -0.110 0.000 2.439 154 I HA 0.574 4.744 4.170 -0.000 0.000 0.283 154 I C 0.638 176.667 176.117 -0.146 0.000 1.023 154 I CA -1.120 60.060 61.300 -0.200 0.000 1.100 154 I CB 1.449 39.188 38.000 -0.434 0.000 1.238 154 I HN 1.036 nan 8.210 nan 0.000 0.445 155 A N 4.767 127.532 122.820 -0.092 0.000 2.366 155 A HA 0.687 5.007 4.320 -0.000 0.000 0.249 155 A C 0.666 178.205 177.584 -0.074 0.000 1.084 155 A CA -0.268 51.728 52.037 -0.069 0.000 0.794 155 A CB 0.440 19.414 19.000 -0.043 0.000 1.034 155 A HN 0.849 nan 8.150 nan 0.000 0.491 156 A N 0.133 122.923 122.820 -0.051 0.000 2.561 156 A HA 0.446 4.766 4.320 -0.000 0.000 0.251 156 A C 1.638 179.206 177.584 -0.026 0.000 1.062 156 A CA 1.021 53.048 52.037 -0.017 0.000 0.761 156 A CB -1.100 17.923 19.000 0.039 0.000 0.986 156 A HN 2.758 nan 8.150 nan 0.000 0.510 157 G N 0.897 109.674 108.800 -0.039 0.000 2.217 157 G HA2 0.147 4.107 3.960 -0.000 0.000 0.246 157 G HA3 0.147 4.107 3.960 -0.000 0.000 0.246 157 G C 0.577 175.442 174.900 -0.058 0.000 0.990 157 G CA 0.562 45.635 45.100 -0.045 0.000 0.627 157 G HN 2.187 nan 8.290 nan 0.000 0.522 158 A N -0.438 122.337 122.820 -0.074 0.000 2.264 158 A HA 0.846 5.165 4.320 -0.000 0.000 0.304 158 A C 0.256 177.780 177.584 -0.100 0.000 1.100 158 A CA 0.711 52.703 52.037 -0.076 0.000 0.839 158 A CB 1.017 19.973 19.000 -0.073 0.000 1.121 158 A HN 0.716 nan 8.150 nan 0.000 0.496 159 T N 0.432 114.938 114.554 -0.079 0.000 2.812 159 T HA 0.613 4.963 4.350 -0.000 0.000 0.282 159 T C 0.136 174.797 174.700 -0.065 0.000 0.990 159 T CA 0.061 62.113 62.100 -0.081 0.000 0.960 159 T CB 1.508 70.346 68.868 -0.051 0.000 0.948 159 T HN 1.045 nan 8.240 nan 0.000 0.438 160 G N 1.886 110.639 108.800 -0.077 0.000 2.420 160 G HA2 0.627 4.587 3.960 -0.000 0.000 0.331 160 G HA3 0.627 4.587 3.960 -0.000 0.000 0.331 160 G C -0.861 174.052 174.900 0.021 0.000 1.168 160 G CA -0.612 44.470 45.100 -0.029 0.000 0.936 160 G HN 0.499 nan 8.290 nan 0.000 0.479 161 E N 1.201 121.428 120.200 0.046 0.000 2.151 161 E HA 0.411 4.760 4.350 -0.000 0.000 0.275 161 E C -0.220 176.437 176.600 0.095 0.000 0.936 161 E CA -0.288 56.150 56.400 0.064 0.000 0.777 161 E CB 2.214 31.942 29.700 0.046 0.000 1.108 161 E HN 0.325 nan 8.360 nan 0.000 0.401 162 L N 0.881 122.174 121.223 0.116 0.000 2.323 162 L HA 0.687 5.026 4.340 -0.000 0.000 0.265 162 L C 0.015 176.948 176.870 0.105 0.000 1.012 162 L CA -0.934 53.983 54.840 0.128 0.000 0.820 162 L CB 2.018 44.183 42.059 0.177 0.000 1.334 162 L HN 0.296 nan 8.230 nan 0.000 0.427 163 T N 1.867 116.479 114.554 0.097 0.000 2.971 163 T HA 0.654 5.004 4.350 -0.000 0.000 0.304 163 T C -0.927 173.823 174.700 0.083 0.000 1.038 163 T CA -0.414 61.737 62.100 0.085 0.000 1.007 163 T CB 2.203 71.143 68.868 0.120 0.000 1.055 163 T HN 0.490 nan 8.240 nan 0.000 0.451 164 M N 3.041 122.662 119.600 0.035 0.000 2.484 164 M HA 0.690 5.170 4.480 -0.000 0.000 0.289 164 M C -2.414 173.854 176.300 -0.054 0.000 1.206 164 M CA -0.841 54.456 55.300 -0.006 0.000 0.892 164 M CB 1.706 34.279 32.600 -0.044 0.000 1.712 164 M HN 0.636 nan 8.290 nan 0.000 0.462 165 Y N 2.657 122.908 120.300 -0.081 0.000 2.462 165 Y HA 0.704 5.254 4.550 -0.000 0.000 0.346 165 Y C -1.547 174.384 175.900 0.052 0.000 0.976 165 Y CA -0.309 57.853 58.100 0.104 0.000 1.044 165 Y CB 2.103 40.665 38.460 0.171 0.000 1.230 165 Y HN 0.629 nan 8.280 nan 0.000 0.455 166 Y N 1.373 121.972 120.300 0.498 0.000 2.477 166 Y HA 0.284 4.834 4.550 -0.000 0.000 0.347 166 Y C -1.014 175.114 175.900 0.381 0.000 0.981 166 Y CA -1.516 56.776 58.100 0.320 0.000 1.033 166 Y CB 2.038 40.566 38.460 0.114 0.000 1.245 166 Y HN 0.641 nan 8.280 nan 0.000 0.455 167 W N 5.100 126.494 121.300 0.157 0.000 2.361 167 W HA 0.671 5.331 4.660 -0.000 0.000 0.314 167 W C -1.923 174.618 176.519 0.037 0.000 1.041 167 W CA -1.031 56.389 57.345 0.126 0.000 1.241 167 W CB 1.455 30.945 29.460 0.051 0.000 1.279 167 W HN 0.309 nan 8.180 nan 0.000 0.436 168 V N 9.240 128.861 119.914 -0.488 0.000 2.348 168 V HA 0.196 4.316 4.120 -0.000 0.000 0.270 168 V C -1.644 173.947 176.094 -0.838 0.000 1.037 168 V CA -1.598 60.426 62.300 -0.460 0.000 0.872 168 V CB 0.957 32.639 31.823 -0.235 0.000 1.002 168 V HN 0.357 nan 8.190 nan 0.000 0.464 169 P HA 0.385 nan 4.420 nan 0.000 0.284 169 P C 0.052 177.230 177.300 -0.204 0.000 1.253 169 P CA -0.260 62.667 63.100 -0.289 0.000 0.800 169 P CB 2.389 34.216 31.700 0.212 0.000 0.961 170 L N 1.457 122.605 121.223 -0.124 0.000 2.777 170 L HA 0.331 4.671 4.340 -0.000 0.000 0.172 170 L C 1.309 178.298 176.870 0.199 0.000 1.179 170 L CA 0.072 54.848 54.840 -0.106 0.000 0.859 170 L CB -0.788 41.074 42.059 -0.328 0.000 1.269 170 L HN 0.311 nan 8.230 nan 0.000 0.511 171 A N -0.893 122.021 122.820 0.158 0.000 2.445 171 A HA -0.027 4.293 4.320 -0.000 0.000 0.242 171 A C 0.527 178.286 177.584 0.293 0.000 1.075 171 A CA 0.042 52.204 52.037 0.208 0.000 0.777 171 A CB -0.045 19.040 19.000 0.142 0.000 1.013 171 A HN 0.371 nan 8.150 nan 0.000 0.493 172 Y N 2.460 122.775 120.300 0.026 0.000 2.181 172 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 172 Y C 1.335 177.202 175.900 -0.054 0.000 1.146 172 Y CA 1.854 59.790 58.100 -0.274 0.000 1.164 172 Y CB 0.019 38.330 38.460 -0.247 0.000 0.982 172 Y HN 0.875 nan 8.280 nan 0.000 0.515 173 S N -2.468 113.235 115.700 0.005 0.000 2.790 173 S HA 0.282 4.752 4.470 -0.000 0.000 0.292 173 S C 0.457 175.058 174.600 0.002 0.000 1.197 173 S CA -0.624 57.535 58.200 -0.068 0.000 0.851 173 S CB 1.131 64.282 63.200 -0.081 0.000 1.217 173 S HN 0.059 nan 8.310 nan 0.000 0.526 174 E N 1.080 121.252 120.200 -0.046 0.000 2.208 174 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 174 E C 1.786 178.380 176.600 -0.010 0.000 0.988 174 E CA 1.919 58.295 56.400 -0.041 0.000 0.828 174 E CB -0.357 29.294 29.700 -0.081 0.000 0.763 174 E HN 0.845 nan 8.360 nan 0.000 0.478 175 T N -2.467 112.089 114.554 0.004 0.000 3.001 175 T HA 0.063 4.413 4.350 -0.000 0.000 0.251 175 T C 0.384 175.105 174.700 0.035 0.000 1.040 175 T CA -0.312 61.797 62.100 0.015 0.000 0.985 175 T CB 0.442 69.316 68.868 0.010 0.000 1.011 175 T HN -0.212 nan 8.240 nan 0.000 0.509 176 D N 1.167 121.608 120.400 0.069 0.000 2.453 176 D HA 0.313 4.952 4.640 -0.000 0.000 0.238 176 D C 0.566 176.913 176.300 0.078 0.000 1.088 176 D CA -0.703 53.345 54.000 0.081 0.000 0.854 176 D CB 1.067 41.975 40.800 0.180 0.000 1.076 176 D HN 0.221 nan 8.370 nan 0.000 0.533 177 L N 2.546 123.787 121.223 0.031 0.000 2.627 177 L HA 0.111 4.451 4.340 -0.000 0.000 0.232 177 L C 0.768 177.646 176.870 0.013 0.000 1.150 177 L CA 0.073 54.933 54.840 0.033 0.000 0.917 177 L CB -0.316 41.754 42.059 0.018 0.000 1.104 177 L HN 0.253 nan 8.230 nan 0.000 0.445 178 T N 0.828 115.355 114.554 -0.045 0.000 2.871 178 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 178 T C 1.290 175.995 174.700 0.008 0.000 0.998 178 T CA 1.055 63.058 62.100 -0.162 0.000 1.162 178 T CB 0.917 69.464 68.868 -0.536 0.000 0.947 178 T HN 0.631 nan 8.240 nan 0.000 0.536 179 G N 1.978 110.811 108.800 0.055 0.000 2.217 179 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.246 179 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.246 179 G C 0.379 175.393 174.900 0.190 0.000 0.990 179 G CA 0.013 45.246 45.100 0.221 0.000 0.627 179 G HN 1.178 nan 8.290 nan 0.000 0.522 180 A N -0.490 122.395 122.820 0.108 0.000 2.429 180 A HA 0.634 4.954 4.320 -0.000 0.000 0.242 180 A C 0.396 178.012 177.584 0.054 0.000 1.088 180 A CA 0.800 52.870 52.037 0.054 0.000 0.784 180 A CB 0.864 19.888 19.000 0.041 0.000 1.038 180 A HN 1.205 nan 8.150 nan 0.000 0.501 181 V N 2.000 121.921 119.914 0.012 0.000 2.487 181 V HA 0.275 4.395 4.120 -0.000 0.000 0.298 181 V C -0.522 175.595 176.094 0.039 0.000 1.028 181 V CA -0.554 61.772 62.300 0.044 0.000 0.860 181 V CB 1.415 33.261 31.823 0.038 0.000 0.991 181 V HN 0.772 nan 8.190 nan 0.000 0.427 182 L N 5.427 126.680 121.223 0.050 0.000 2.342 182 L HA 0.532 4.872 4.340 -0.000 0.000 0.285 182 L C 0.917 177.811 176.870 0.040 0.000 1.095 182 L CA 0.377 55.234 54.840 0.030 0.000 0.843 182 L CB 0.788 42.866 42.059 0.030 0.000 1.201 182 L HN 0.742 nan 8.230 nan 0.000 0.445 183 A N 3.711 126.544 122.820 0.023 0.000 2.833 183 A HA 0.251 4.571 4.320 -0.000 0.000 0.293 183 A C 1.145 178.738 177.584 0.015 0.000 1.338 183 A CA -0.219 51.834 52.037 0.026 0.000 0.959 183 A CB -0.720 18.288 19.000 0.013 0.000 1.094 183 A HN 0.781 nan 8.150 nan 0.000 0.569 184 N N -0.181 118.535 118.700 0.027 0.000 2.336 184 N HA -0.017 4.722 4.740 -0.000 0.000 0.177 184 N C 0.491 176.033 175.510 0.053 0.000 1.018 184 N CA 0.485 53.563 53.050 0.047 0.000 0.878 184 N CB -0.057 38.476 38.487 0.077 0.000 0.997 184 N HN 0.222 nan 8.380 nan 0.000 0.433 185 V N 4.607 124.552 119.914 0.052 0.000 2.479 185 V HA -0.053 4.067 4.120 -0.000 0.000 0.284 185 V C -1.172 174.945 176.094 0.037 0.000 0.981 185 V CA -0.310 62.019 62.300 0.048 0.000 1.139 185 V CB 0.339 32.193 31.823 0.052 0.000 0.947 185 V HN 0.230 nan 8.190 nan 0.000 0.468 186 P HA 0.045 nan 4.420 nan 0.000 0.200 186 P C 0.644 177.954 177.300 0.015 0.000 1.204 186 P CA 0.716 63.830 63.100 0.023 0.000 0.886 186 P CB -0.035 31.679 31.700 0.023 0.000 0.718 187 Q N 0.555 120.362 119.800 0.012 0.000 2.437 187 Q HA 0.112 4.452 4.340 -0.000 0.000 0.363 187 Q C 0.503 176.503 176.000 0.000 0.000 1.206 187 Q CA 1.181 56.986 55.803 0.004 0.000 1.070 187 Q CB -1.723 27.017 28.738 0.004 0.000 1.208 187 Q HN 0.467 nan 8.270 nan 0.000 0.423 188 S N -0.790 114.903 115.700 -0.012 0.000 3.179 188 S HA 0.211 4.681 4.470 -0.000 0.000 0.739 188 S C 0.031 174.619 174.600 -0.021 0.000 0.754 188 S CA 1.020 59.206 58.200 -0.024 0.000 1.436 188 S CB -1.578 61.611 63.200 -0.019 0.000 1.035 188 S HN 2.093 nan 8.310 nan 0.000 0.743 189 K N 4.069 124.449 120.400 -0.034 0.000 2.120 189 K HA 0.542 4.862 4.320 -0.000 0.000 0.245 189 K C 0.542 177.114 176.600 -0.046 0.000 1.024 189 K CA 0.278 56.548 56.287 -0.028 0.000 0.906 189 K CB 0.208 32.688 32.500 -0.034 0.000 1.051 189 K HN 0.817 nan 8.250 nan 0.000 0.491 190 Q N -0.311 119.470 119.800 -0.031 0.000 2.249 190 Q HA 0.505 4.845 4.340 -0.000 0.000 0.226 190 Q C -0.529 175.388 176.000 -0.137 0.000 0.983 190 Q CA -0.530 55.219 55.803 -0.091 0.000 0.930 190 Q CB 1.170 29.935 28.738 0.044 0.000 1.193 190 Q HN 0.550 nan 8.270 nan 0.000 0.508 191 R N 0.841 121.196 120.500 -0.242 0.000 2.502 191 R HA 0.395 4.735 4.340 -0.000 0.000 0.300 191 R C -1.691 174.497 176.300 -0.188 0.000 0.984 191 R CA -0.734 55.266 56.100 -0.167 0.000 0.882 191 R CB 1.197 31.422 30.300 -0.124 0.000 1.180 191 R HN 0.360 nan 8.270 nan 0.000 0.444 192 L N 3.930 125.043 121.223 -0.184 0.000 2.295 192 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 192 L C -0.939 175.822 176.870 -0.183 0.000 1.018 192 L CA -0.228 54.481 54.840 -0.218 0.000 0.841 192 L CB 0.879 42.650 42.059 -0.480 0.000 1.218 192 L HN 0.407 nan 8.230 nan 0.000 0.424 193 K N 6.389 126.709 120.400 -0.133 0.000 2.211 193 K HA 0.603 4.923 4.320 -0.000 0.000 0.275 193 K C -1.254 175.214 176.600 -0.221 0.000 1.024 193 K CA -0.453 55.756 56.287 -0.131 0.000 0.887 193 K CB 1.443 33.912 32.500 -0.051 0.000 1.084 193 K HN 0.544 nan 8.250 nan 0.000 0.463 194 L N 2.442 123.507 121.223 -0.263 0.000 2.381 194 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 194 L C -0.386 176.239 176.870 -0.409 0.000 0.988 194 L CA -0.613 53.946 54.840 -0.469 0.000 0.824 194 L CB 1.876 43.495 42.059 -0.734 0.000 1.263 194 L HN 0.645 nan 8.230 nan 0.000 0.410 195 E N 3.217 123.166 120.200 -0.419 0.000 2.129 195 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 195 E C -1.269 175.166 176.600 -0.276 0.000 0.900 195 E CA -0.605 55.660 56.400 -0.225 0.000 0.755 195 E CB 1.023 30.642 29.700 -0.134 0.000 1.117 195 E HN 0.304 nan 8.360 nan 0.000 0.410 196 F N 1.797 121.760 119.950 0.021 0.000 2.380 196 F HA 0.469 4.996 4.527 -0.000 0.000 0.319 196 F C 1.042 176.868 175.800 0.043 0.000 1.113 196 F CA -0.580 57.454 58.000 0.057 0.000 1.056 196 F CB 0.841 39.960 39.000 0.198 0.000 1.289 196 F HN 0.492 nan 8.300 nan 0.000 0.515 197 A N 1.523 124.495 122.820 0.253 0.000 2.406 197 A HA 0.436 4.756 4.320 -0.000 0.000 0.243 197 A C -0.335 177.295 177.584 0.077 0.000 1.082 197 A CA -0.227 51.910 52.037 0.167 0.000 0.786 197 A CB -0.126 19.021 19.000 0.245 0.000 1.029 197 A HN 0.881 nan 8.150 nan 0.000 0.495 198 N N -0.682 118.116 118.700 0.164 0.000 3.229 198 N HA 0.249 4.989 4.740 -0.000 0.000 0.315 198 N C -0.146 175.596 175.510 0.386 0.000 1.520 198 N CA -0.838 52.333 53.050 0.202 0.000 0.769 198 N CB 0.314 38.904 38.487 0.171 0.000 1.766 198 N HN 0.297 nan 8.380 nan 0.000 0.618 199 N N -0.600 118.359 118.700 0.433 0.000 2.573 199 N HA -0.039 4.701 4.740 -0.000 0.000 0.187 199 N C -0.035 175.680 175.510 0.341 0.000 1.107 199 N CA 0.677 54.026 53.050 0.498 0.000 0.918 199 N CB -0.546 38.198 38.487 0.428 0.000 0.966 199 N HN 0.571 nan 8.380 nan 0.000 0.448 200 N N -1.095 117.736 118.700 0.219 0.000 2.415 200 N HA -0.030 4.710 4.740 -0.000 0.000 0.174 200 N C 1.617 177.193 175.510 0.110 0.000 1.048 200 N CA 0.852 53.999 53.050 0.161 0.000 0.895 200 N CB 0.341 38.904 38.487 0.128 0.000 1.036 200 N HN 0.235 nan 8.380 nan 0.000 0.449 201 T N -2.608 111.995 114.554 0.080 0.000 3.023 201 T HA 0.303 4.653 4.350 -0.000 0.000 0.249 201 T C 1.868 176.533 174.700 -0.059 0.000 1.050 201 T CA 0.261 62.387 62.100 0.044 0.000 1.088 201 T CB 0.043 68.957 68.868 0.078 0.000 0.946 201 T HN 0.054 nan 8.240 nan 0.000 0.480 202 A N 0.874 123.542 122.820 -0.254 0.000 2.066 202 A HA 0.386 4.706 4.320 -0.000 0.000 0.218 202 A C 0.185 177.277 177.584 -0.820 0.000 1.157 202 A CA 0.265 51.922 52.037 -0.634 0.000 0.670 202 A CB -0.578 17.812 19.000 -1.018 0.000 0.804 202 A HN 0.554 nan 8.150 nan 0.000 0.453 203 F N -0.731 119.285 119.950 0.110 0.000 2.460 203 F HA 0.668 5.195 4.527 -0.000 0.000 0.341 203 F C 0.243 176.083 175.800 0.067 0.000 1.130 203 F CA -1.428 56.621 58.000 0.081 0.000 0.962 203 F CB 1.309 40.336 39.000 0.045 0.000 1.171 203 F HN 0.075 nan 8.300 nan 0.000 0.436 204 A N 2.086 125.020 122.820 0.191 0.000 2.292 204 A HA 0.861 5.181 4.320 -0.000 0.000 0.319 204 A C -0.058 177.590 177.584 0.107 0.000 1.206 204 A CA -0.533 51.574 52.037 0.116 0.000 0.835 204 A CB 0.542 19.578 19.000 0.061 0.000 1.164 204 A HN 0.961 nan 8.150 nan 0.000 0.505 205 A N 1.847 124.718 122.820 0.085 0.000 2.366 205 A HA 0.528 4.848 4.320 -0.000 0.000 0.249 205 A C 0.429 178.036 177.584 0.039 0.000 1.084 205 A CA -0.312 51.760 52.037 0.059 0.000 0.794 205 A CB 0.005 19.037 19.000 0.054 0.000 1.034 205 A HN 1.163 nan 8.150 nan 0.000 0.491 206 V N 1.247 121.175 119.914 0.023 0.000 2.694 206 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 206 V C 1.716 177.819 176.094 0.014 0.000 1.054 206 V CA 1.862 64.170 62.300 0.014 0.000 1.161 206 V CB 0.132 31.956 31.823 0.002 0.000 0.916 206 V HN 1.976 nan 8.190 nan 0.000 0.490 207 G N 3.103 111.909 108.800 0.011 0.000 2.225 207 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.254 207 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.254 207 G C 0.393 175.299 174.900 0.011 0.000 0.988 207 G CA 0.302 45.406 45.100 0.007 0.000 0.625 207 G HN 1.532 nan 8.290 nan 0.000 0.527 208 A N -0.196 122.637 122.820 0.022 0.000 2.264 208 A HA 0.670 4.990 4.320 -0.000 0.000 0.304 208 A C 0.471 178.074 177.584 0.032 0.000 1.100 208 A CA 0.051 52.105 52.037 0.028 0.000 0.839 208 A CB 0.460 19.484 19.000 0.041 0.000 1.121 208 A HN 0.510 nan 8.150 nan 0.000 0.496 209 N N 1.068 119.791 118.700 0.038 0.000 2.452 209 N HA 0.141 4.881 4.740 -0.000 0.000 0.266 209 N C -1.841 173.698 175.510 0.048 0.000 1.209 209 N CA -1.283 51.804 53.050 0.063 0.000 0.929 209 N CB 0.975 39.501 38.487 0.064 0.000 1.063 209 N HN 0.311 nan 8.380 nan 0.000 0.472 210 P HA 0.015 nan 4.420 nan 0.000 0.261 210 P C 1.518 178.667 177.300 -0.252 0.000 1.268 210 P CA -0.164 62.877 63.100 -0.099 0.000 0.833 210 P CB 0.503 32.123 31.700 -0.132 0.000 1.231 211 L N 1.511 122.603 121.223 -0.217 0.000 2.010 211 L HA -0.199 4.141 4.340 -0.000 0.000 0.219 211 L C 1.771 178.469 176.870 -0.285 0.000 1.077 211 L CA 2.222 56.816 54.840 -0.410 0.000 0.773 211 L CB -0.852 41.212 42.059 0.008 0.000 0.892 211 L HN -0.124 nan 8.230 nan 0.000 0.436 212 E N -0.029 120.153 120.200 -0.029 0.000 2.474 212 E HA 0.268 4.618 4.350 -0.000 0.000 0.194 212 E C 0.763 177.398 176.600 0.058 0.000 1.041 212 E CA 0.595 57.058 56.400 0.106 0.000 0.874 212 E CB -0.134 29.658 29.700 0.153 0.000 0.914 212 E HN 0.578 nan 8.360 nan 0.000 0.498 213 A N 0.789 123.592 122.820 -0.027 0.000 2.287 213 A HA 0.459 4.779 4.320 -0.000 0.000 0.273 213 A C 1.155 178.703 177.584 -0.059 0.000 1.091 213 A CA -0.387 51.625 52.037 -0.042 0.000 0.817 213 A CB 0.462 19.442 19.000 -0.033 0.000 1.069 213 A HN 0.048 nan 8.150 nan 0.000 0.492 214 I N -1.606 118.919 120.570 -0.075 0.000 3.039 214 I HA 0.119 4.289 4.170 -0.000 0.000 0.270 214 I C -0.353 175.570 176.117 -0.322 0.000 1.150 214 I CA 0.634 61.856 61.300 -0.130 0.000 1.448 214 I CB -0.003 37.982 38.000 -0.024 0.000 1.197 214 I HN 0.580 nan 8.210 nan 0.000 0.450 215 Y N 0.393 120.728 120.300 0.058 0.000 2.536 215 Y HA 0.565 5.115 4.550 -0.000 0.000 0.347 215 Y C -0.215 175.744 175.900 0.098 0.000 1.000 215 Y CA -0.761 57.402 58.100 0.105 0.000 1.051 215 Y CB 1.742 40.315 38.460 0.188 0.000 1.259 215 Y HN -0.062 nan 8.280 nan 0.000 0.468 216 Q N 1.224 121.150 119.800 0.210 0.000 2.389 216 Q HA 0.768 5.108 4.340 -0.000 0.000 0.277 216 Q C -0.967 175.093 176.000 0.099 0.000 1.082 216 Q CA -0.616 55.261 55.803 0.125 0.000 0.810 216 Q CB 2.674 31.441 28.738 0.047 0.000 1.374 216 Q HN 0.969 nan 8.270 nan 0.000 0.422 217 G N 0.352 109.187 108.800 0.059 0.000 2.336 217 G HA2 0.347 4.307 3.960 -0.000 0.000 0.300 217 G HA3 0.347 4.307 3.960 -0.000 0.000 0.300 217 G C -0.211 174.668 174.900 -0.035 0.000 1.375 217 G CA -0.139 44.967 45.100 0.010 0.000 0.885 217 G HN 0.756 nan 8.290 nan 0.000 0.599 218 A N -0.844 121.926 122.820 -0.083 0.000 2.076 218 A HA 0.304 4.624 4.320 -0.000 0.000 0.220 218 A C 2.247 179.664 177.584 -0.278 0.000 1.160 218 A CA 2.766 54.718 52.037 -0.142 0.000 0.653 218 A CB -0.447 18.459 19.000 -0.156 0.000 0.801 218 A HN 2.041 nan 8.150 nan 0.000 0.455 219 G N -1.750 106.862 108.800 -0.313 0.000 3.284 219 G HA2 0.356 4.316 3.960 -0.000 0.000 0.236 219 G HA3 0.356 4.316 3.960 -0.000 0.000 0.236 219 G C 1.244 176.077 174.900 -0.111 0.000 1.158 219 G CA 0.846 45.713 45.100 -0.388 0.000 0.774 219 G HN 0.610 nan 8.290 nan 0.000 0.545 220 A N 1.397 124.183 122.820 -0.057 0.000 1.908 220 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 220 A C 2.746 180.329 177.584 -0.001 0.000 1.181 220 A CA 2.175 54.212 52.037 -0.000 0.000 0.627 220 A CB -0.676 18.387 19.000 0.105 0.000 0.818 220 A HN 0.788 nan 8.150 nan 0.000 0.445 221 A N -0.776 122.072 122.820 0.047 0.000 2.076 221 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 221 A C 1.292 178.884 177.584 0.014 0.000 1.160 221 A CA 1.726 53.798 52.037 0.059 0.000 0.653 221 A CB -0.303 18.742 19.000 0.075 0.000 0.801 221 A HN 0.475 nan 8.150 nan 0.000 0.455 222 D N -1.220 119.178 120.400 -0.003 0.000 2.424 222 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 222 D C -0.460 175.726 176.300 -0.190 0.000 1.150 222 D CA -0.036 53.931 54.000 -0.056 0.000 0.831 222 D CB -0.013 40.784 40.800 -0.005 0.000 0.981 222 D HN 0.285 nan 8.370 nan 0.000 0.500 223 C N 1.683 120.751 119.300 -0.387 0.000 2.364 223 C HA 0.577 5.037 4.460 -0.000 0.000 0.356 223 C C 0.491 174.982 174.990 -0.831 0.000 1.201 223 C CA -0.564 57.983 59.018 -0.786 0.000 2.227 223 C CB 1.059 27.945 27.740 -1.423 0.000 2.387 223 C HN 0.380 nan 8.230 nan 0.000 0.546 224 E N 0.709 120.522 120.200 -0.645 0.000 2.423 224 E HA 0.445 4.794 4.350 -0.000 0.000 0.280 224 E C -1.778 174.785 176.600 -0.062 0.000 1.030 224 E CA -0.670 55.623 56.400 -0.178 0.000 0.812 224 E CB 0.724 30.407 29.700 -0.027 0.000 1.313 224 E HN 0.367 nan 8.360 nan 0.000 0.456 225 F N 1.568 121.640 119.950 0.203 0.000 2.438 225 F HA 0.147 4.674 4.527 -0.000 0.000 0.356 225 F C 1.790 177.612 175.800 0.036 0.000 1.099 225 F CA 0.015 58.101 58.000 0.143 0.000 1.185 225 F CB 1.432 40.508 39.000 0.126 0.000 1.115 225 F HN 0.764 nan 8.300 nan 0.000 0.526 226 E N 2.578 122.886 120.200 0.181 0.000 2.076 226 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 226 E C -0.215 176.422 176.600 0.062 0.000 0.979 226 E CA 1.014 57.463 56.400 0.082 0.000 0.807 226 E CB 0.334 30.055 29.700 0.035 0.000 0.761 226 E HN 0.795 nan 8.360 nan 0.000 0.454 227 E N -1.073 119.164 120.200 0.062 0.000 2.382 227 E HA 0.320 4.670 4.350 -0.000 0.000 0.280 227 E C -1.361 175.102 176.600 -0.229 0.000 1.161 227 E CA -0.676 55.651 56.400 -0.123 0.000 0.905 227 E CB 0.424 30.044 29.700 -0.133 0.000 1.268 227 E HN 0.063 nan 8.360 nan 0.000 0.426 228 I N 1.052 121.236 120.570 -0.643 0.000 2.785 228 I HA 0.616 4.786 4.170 -0.000 0.000 0.302 228 I C -0.800 174.852 176.117 -0.774 0.000 1.069 228 I CA -0.980 59.873 61.300 -0.747 0.000 1.045 228 I CB 2.197 39.483 38.000 -1.190 0.000 1.236 228 I HN 0.587 nan 8.210 nan 0.000 0.429 229 S N 3.824 119.270 115.700 -0.424 0.000 2.546 229 S HA 0.765 5.235 4.470 -0.000 0.000 0.274 229 S C -1.617 172.899 174.600 -0.140 0.000 1.121 229 S CA -0.453 57.566 58.200 -0.302 0.000 0.887 229 S CB 1.509 64.580 63.200 -0.214 0.000 1.094 229 S HN 0.505 nan 8.310 nan 0.000 0.474 230 Y N -0.241 119.974 120.300 -0.142 0.000 2.588 230 Y HA 0.846 5.396 4.550 -0.000 0.000 0.343 230 Y C -0.901 174.976 175.900 -0.037 0.000 1.065 230 Y CA -0.888 57.189 58.100 -0.039 0.000 1.038 230 Y CB 1.423 39.935 38.460 0.087 0.000 1.297 230 Y HN 0.473 nan 8.280 nan 0.000 0.467 231 T N 2.525 117.217 114.554 0.230 0.000 2.991 231 T HA 0.525 4.875 4.350 -0.000 0.000 0.303 231 T C -1.471 173.338 174.700 0.181 0.000 1.015 231 T CA -0.651 61.503 62.100 0.089 0.000 1.007 231 T CB 1.493 70.348 68.868 -0.022 0.000 1.034 231 T HN 0.631 nan 8.240 nan 0.000 0.446 232 V N 3.993 123.983 119.914 0.128 0.000 2.435 232 V HA 0.497 4.617 4.120 -0.000 0.000 0.290 232 V C -1.136 174.994 176.094 0.059 0.000 1.030 232 V CA -0.738 61.666 62.300 0.173 0.000 0.881 232 V CB 0.896 32.809 31.823 0.151 0.000 0.983 232 V HN 0.814 nan 8.190 nan 0.000 0.445 233 Y N 2.962 123.434 120.300 0.285 0.000 2.352 233 Y HA 0.505 5.055 4.550 -0.000 0.000 0.339 233 Y C 0.265 176.346 175.900 0.301 0.000 0.992 233 Y CA -0.366 57.895 58.100 0.268 0.000 1.100 233 Y CB 1.787 40.402 38.460 0.258 0.000 1.192 233 Y HN 0.584 nan 8.280 nan 0.000 0.458 234 Q N 2.151 122.193 119.800 0.403 0.000 2.271 234 Q HA 0.488 4.828 4.340 -0.000 0.000 0.258 234 Q C -0.911 175.235 176.000 0.242 0.000 0.936 234 Q CA -0.603 55.351 55.803 0.252 0.000 0.909 234 Q CB 1.378 30.285 28.738 0.282 0.000 1.253 234 Q HN 0.648 nan 8.270 nan 0.000 0.440 235 S N 4.210 119.959 115.700 0.082 0.000 2.437 235 S HA 0.651 5.120 4.470 -0.000 0.000 0.305 235 S C -1.401 173.271 174.600 0.121 0.000 1.109 235 S CA -0.383 57.901 58.200 0.140 0.000 1.099 235 S CB 0.323 63.718 63.200 0.324 0.000 1.004 235 S HN 0.574 nan 8.310 nan 0.000 0.475 236 Y N 2.035 122.316 120.300 -0.033 0.000 2.705 236 Y HA 0.706 5.256 4.550 -0.000 0.000 0.332 236 Y C -1.862 174.024 175.900 -0.022 0.000 1.221 236 Y CA -1.573 56.501 58.100 -0.043 0.000 1.059 236 Y CB 0.773 39.205 38.460 -0.048 0.000 1.298 236 Y HN 0.450 nan 8.280 nan 0.000 0.459 237 L N 2.435 123.720 121.223 0.102 0.000 2.307 237 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 237 L C -0.827 176.153 176.870 0.183 0.000 1.023 237 L CA -0.536 54.332 54.840 0.046 0.000 0.810 237 L CB 1.442 43.527 42.059 0.045 0.000 1.231 237 L HN 0.693 nan 8.230 nan 0.000 0.423 238 D N 1.647 122.165 120.400 0.195 0.000 2.467 238 D HA 0.239 4.879 4.640 -0.000 0.000 0.245 238 D C -0.392 176.045 176.300 0.228 0.000 1.038 238 D CA -0.018 54.165 54.000 0.305 0.000 1.038 238 D CB 1.430 42.513 40.800 0.471 0.000 1.278 238 D HN 0.343 nan 8.370 nan 0.000 0.564 239 Q N 0.117 120.003 119.800 0.143 0.000 2.463 239 Q HA -0.178 4.162 4.340 -0.000 0.000 0.299 239 Q C -0.402 175.621 176.000 0.039 0.000 1.353 239 Q CA 0.372 56.202 55.803 0.045 0.000 0.828 239 Q CB -1.925 26.761 28.738 -0.087 0.000 1.157 239 Q HN 0.480 nan 8.270 nan 0.000 0.436 240 L N 1.985 123.205 121.223 -0.005 0.000 2.525 240 L HA 0.068 4.408 4.340 -0.000 0.000 0.278 240 L C -1.167 175.736 176.870 0.055 0.000 1.218 240 L CA -1.013 53.778 54.840 -0.082 0.000 0.878 240 L CB -0.195 41.610 42.059 -0.424 0.000 1.127 240 L HN -0.003 nan 8.230 nan 0.000 0.492 241 P HA 0.119 nan 4.420 nan 0.000 0.276 241 P C -0.815 176.623 177.300 0.229 0.000 1.243 241 P CA -0.185 62.986 63.100 0.118 0.000 0.768 241 P CB 1.127 32.868 31.700 0.067 0.000 0.856 242 V N 3.709 123.749 119.914 0.210 0.000 2.398 242 V HA 0.623 4.743 4.120 -0.000 0.000 0.286 242 V C 1.058 177.193 176.094 0.069 0.000 1.026 242 V CA -0.059 62.337 62.300 0.160 0.000 0.868 242 V CB 1.202 33.049 31.823 0.041 0.000 0.982 242 V HN 0.816 nan 8.190 nan 0.000 0.443 243 G N 2.561 111.393 108.800 0.054 0.000 2.990 243 G HA2 0.550 4.509 3.960 -0.000 0.000 0.208 243 G HA3 0.550 4.509 3.960 -0.000 0.000 0.208 243 G C 0.671 175.575 174.900 0.007 0.000 1.334 243 G CA 0.506 45.624 45.100 0.030 0.000 1.024 243 G HN 0.740 nan 8.290 nan 0.000 0.574 244 Q N -1.438 118.367 119.800 0.007 0.000 1.857 244 Q HA -0.151 4.189 4.340 -0.000 0.000 0.237 244 Q C 2.288 178.284 176.000 -0.008 0.000 1.004 244 Q CA 2.515 58.317 55.803 -0.001 0.000 0.881 244 Q CB -1.956 26.784 28.738 0.003 0.000 0.946 244 Q HN 1.492 nan 8.270 nan 0.000 0.421 245 N N 0.570 119.269 118.700 -0.001 0.000 2.530 245 N HA 0.452 5.192 4.740 -0.000 0.000 0.216 245 N C 1.142 176.647 175.510 -0.009 0.000 1.315 245 N CA 1.150 54.198 53.050 -0.004 0.000 0.858 245 N CB -0.877 37.613 38.487 0.005 0.000 1.138 245 N HN 1.657 nan 8.380 nan 0.000 0.473 246 G N -0.818 107.966 108.800 -0.028 0.000 2.472 246 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.205 246 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.205 246 G C -0.733 174.168 174.900 0.001 0.000 1.270 246 G CA -0.482 44.577 45.100 -0.068 0.000 0.974 246 G HN 0.472 nan 8.290 nan 0.000 0.542 247 Y N 0.398 120.707 120.300 0.015 0.000 2.712 247 Y HA 0.325 4.874 4.550 -0.000 0.000 0.333 247 Y C 1.357 177.267 175.900 0.017 0.000 1.225 247 Y CA -0.457 57.654 58.100 0.018 0.000 1.499 247 Y CB 0.356 38.830 38.460 0.024 0.000 1.288 247 Y HN 0.338 nan 8.280 nan 0.000 0.575 248 I N 6.391 127.086 120.570 0.208 0.000 2.308 248 I HA 0.161 4.331 4.170 -0.000 0.000 0.293 248 I C -0.265 175.896 176.117 0.073 0.000 1.078 248 I CA -0.541 60.822 61.300 0.106 0.000 1.292 248 I CB -0.854 37.192 38.000 0.076 0.000 1.423 248 I HN 0.372 nan 8.210 nan 0.000 0.493 249 L N 8.435 129.696 121.223 0.062 0.000 2.386 249 L HA 0.492 4.831 4.340 -0.000 0.000 0.271 249 L C -2.332 174.551 176.870 0.022 0.000 0.993 249 L CA -1.747 53.114 54.840 0.035 0.000 0.819 249 L CB 2.689 44.774 42.059 0.043 0.000 1.294 249 L HN 0.312 nan 8.230 nan 0.000 0.414 250 P HA 0.165 nan 4.420 nan 0.000 0.268 250 P C 0.723 178.022 177.300 -0.002 0.000 1.541 250 P CA -0.232 62.867 63.100 -0.002 0.000 1.093 250 P CB 0.561 32.255 31.700 -0.011 0.000 1.551 251 L N 2.475 123.700 121.223 0.003 0.000 2.127 251 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 251 L C 2.326 179.192 176.870 -0.007 0.000 1.089 251 L CA 1.343 56.186 54.840 0.006 0.000 0.757 251 L CB -0.578 41.488 42.059 0.012 0.000 0.899 251 L HN 0.267 nan 8.230 nan 0.000 0.434 252 I N -0.460 120.095 120.570 -0.024 0.000 2.286 252 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 252 I C 2.100 178.176 176.117 -0.068 0.000 1.104 252 I CA 0.966 62.237 61.300 -0.047 0.000 1.397 252 I CB -0.373 37.589 38.000 -0.063 0.000 1.072 252 I HN 0.209 nan 8.210 nan 0.000 0.417 253 D N 1.299 121.658 120.400 -0.069 0.000 2.087 253 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 253 D C 2.225 178.505 176.300 -0.032 0.000 0.993 253 D CA 1.428 55.381 54.000 -0.079 0.000 0.828 253 D CB -0.422 40.347 40.800 -0.051 0.000 0.968 253 D HN 0.254 nan 8.370 nan 0.000 0.448 254 L N 0.513 121.735 121.223 -0.002 0.000 2.456 254 L HA -0.059 4.280 4.340 -0.000 0.000 0.224 254 L C 1.732 178.630 176.870 0.047 0.000 1.148 254 L CA 0.899 55.758 54.840 0.032 0.000 0.825 254 L CB -0.274 41.803 42.059 0.031 0.000 0.937 254 L HN 0.051 nan 8.230 nan 0.000 0.450 255 S N -3.358 112.355 115.700 0.022 0.000 2.593 255 S HA 0.154 4.623 4.470 -0.000 0.000 0.236 255 S C 0.563 175.169 174.600 0.011 0.000 0.991 255 S CA -0.561 57.655 58.200 0.027 0.000 0.963 255 S CB 0.171 63.382 63.200 0.019 0.000 0.865 255 S HN 0.096 nan 8.310 nan 0.000 0.488 256 T N 2.845 117.394 114.554 -0.008 0.000 2.895 256 T HA 0.616 4.966 4.350 -0.000 0.000 0.283 256 T C -0.590 174.121 174.700 0.019 0.000 1.014 256 T CA -0.590 61.490 62.100 -0.034 0.000 1.037 256 T CB 1.335 70.109 68.868 -0.156 0.000 1.006 256 T HN 0.250 nan 8.240 nan 0.000 0.468 257 L N 2.899 124.135 121.223 0.022 0.000 2.307 257 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 257 L C -1.055 175.910 176.870 0.159 0.000 1.023 257 L CA -1.158 53.678 54.840 -0.007 0.000 0.810 257 L CB 0.934 42.852 42.059 -0.235 0.000 1.231 257 L HN 0.623 nan 8.230 nan 0.000 0.423 258 Y N 3.969 124.333 120.300 0.107 0.000 2.345 258 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 258 Y C -0.967 174.881 175.900 -0.087 0.000 0.959 258 Y CA -1.105 57.093 58.100 0.164 0.000 1.204 258 Y CB 0.762 39.468 38.460 0.410 0.000 1.135 258 Y HN 0.531 nan 8.280 nan 0.000 0.477 259 N N 5.859 124.100 118.700 -0.764 0.000 2.265 259 N HA 0.575 5.315 4.740 -0.000 0.000 0.300 259 N C -1.544 173.459 175.510 -0.846 0.000 1.148 259 N CA -0.653 51.900 53.050 -0.828 0.000 0.772 259 N CB 2.375 40.353 38.487 -0.847 0.000 1.434 259 N HN 0.577 nan 8.380 nan 0.000 0.481 260 L N 0.389 121.327 121.223 -0.474 0.000 2.346 260 L HA 0.607 4.947 4.340 -0.000 0.000 0.274 260 L C 0.015 176.893 176.870 0.012 0.000 1.007 260 L CA -0.572 54.171 54.840 -0.161 0.000 0.818 260 L CB 1.758 43.702 42.059 -0.191 0.000 1.284 260 L HN 0.375 nan 8.230 nan 0.000 0.424 261 E N 1.931 122.272 120.200 0.234 0.000 2.390 261 E HA 0.339 4.689 4.350 -0.000 0.000 0.277 261 E C -1.558 175.132 176.600 0.150 0.000 0.939 261 E CA -0.822 55.703 56.400 0.208 0.000 0.769 261 E CB 3.090 32.984 29.700 0.324 0.000 1.251 261 E HN 0.683 nan 8.360 nan 0.000 0.450 262 N N 0.033 118.757 118.700 0.039 0.000 2.381 262 N HA 0.563 5.303 4.740 -0.000 0.000 0.294 262 N C -1.079 174.464 175.510 0.055 0.000 1.216 262 N CA -0.639 52.368 53.050 -0.073 0.000 0.803 262 N CB 1.870 40.217 38.487 -0.235 0.000 1.372 262 N HN 0.461 nan 8.380 nan 0.000 0.500 263 S N -1.661 114.077 115.700 0.064 0.000 2.625 263 S HA 0.896 5.365 4.470 -0.000 0.000 0.271 263 S C -1.594 173.067 174.600 0.102 0.000 1.161 263 S CA -0.859 57.406 58.200 0.107 0.000 0.820 263 S CB 1.248 64.550 63.200 0.170 0.000 1.137 263 S HN 1.109 nan 8.310 nan 0.000 0.470 264 A N 0.891 123.777 122.820 0.111 0.000 2.475 264 A HA 0.849 5.169 4.320 -0.000 0.000 0.301 264 A C -1.332 176.333 177.584 0.135 0.000 1.059 264 A CA -0.751 51.364 52.037 0.131 0.000 0.710 264 A CB 1.674 20.754 19.000 0.133 0.000 1.288 264 A HN 0.771 nan 8.150 nan 0.000 0.408 265 Q N 0.124 120.032 119.800 0.179 0.000 2.345 265 Q HA 0.723 5.063 4.340 -0.000 0.000 0.275 265 Q C -0.705 175.468 176.000 0.289 0.000 1.063 265 Q CA -0.693 55.262 55.803 0.254 0.000 0.819 265 Q CB 2.410 31.343 28.738 0.325 0.000 1.356 265 Q HN 1.148 nan 8.270 nan 0.000 0.418 266 A N -0.323 122.668 122.820 0.286 0.000 2.486 266 A HA 0.925 5.244 4.320 -0.000 0.000 0.289 266 A C 0.287 178.008 177.584 0.228 0.000 1.176 266 A CA -0.193 51.922 52.037 0.131 0.000 0.757 266 A CB 1.526 20.571 19.000 0.074 0.000 1.337 266 A HN 1.172 nan 8.150 nan 0.000 0.423 267 G N -1.065 107.768 108.800 0.056 0.000 2.151 267 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.156 267 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.156 267 G C -0.429 174.512 174.900 0.068 0.000 1.017 267 G CA -0.040 45.147 45.100 0.145 0.000 0.686 267 G HN 0.763 nan 8.290 nan 0.000 0.503 268 L N 1.457 122.503 121.223 -0.295 0.000 2.349 268 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 268 L C 0.564 177.351 176.870 -0.139 0.000 1.115 268 L CA 0.180 54.783 54.840 -0.395 0.000 0.820 268 L CB 1.561 43.226 42.059 -0.656 0.000 1.135 268 L HN 0.161 nan 8.230 nan 0.000 0.445 269 T N 3.154 117.660 114.554 -0.080 0.000 2.886 269 T HA 0.397 4.747 4.350 -0.000 0.000 0.292 269 T C -2.609 172.059 174.700 -0.052 0.000 1.012 269 T CA -1.449 60.626 62.100 -0.042 0.000 0.982 269 T CB 1.893 70.756 68.868 -0.008 0.000 1.018 269 T HN 0.216 nan 8.240 nan 0.000 0.451 270 P HA 0.075 nan 4.420 nan 0.000 0.261 270 P C 0.347 177.620 177.300 -0.045 0.000 1.173 270 P CA 0.357 63.432 63.100 -0.042 0.000 0.760 270 P CB 0.156 31.841 31.700 -0.024 0.000 0.783 271 N N -0.933 117.727 118.700 -0.067 0.000 2.778 271 N HA -0.136 4.603 4.740 -0.000 0.000 0.249 271 N C -0.656 174.822 175.510 -0.053 0.000 1.069 271 N CA 0.753 53.766 53.050 -0.062 0.000 0.831 271 N CB -1.685 36.787 38.487 -0.025 0.000 1.142 271 N HN 0.189 nan 8.380 nan 0.000 0.573 272 V N 0.957 120.835 119.914 -0.059 0.000 2.459 272 V HA 0.236 4.356 4.120 -0.000 0.000 0.295 272 V C 0.153 176.224 176.094 -0.038 0.000 1.029 272 V CA -0.856 61.428 62.300 -0.027 0.000 0.874 272 V CB 2.112 33.935 31.823 0.001 0.000 0.985 272 V HN -0.053 nan 8.190 nan 0.000 0.438 273 D N 3.326 123.716 120.400 -0.018 0.000 2.472 273 D HA 0.109 4.749 4.640 -0.000 0.000 0.248 273 D C -0.561 175.764 176.300 0.042 0.000 1.174 273 D CA 0.544 54.534 54.000 -0.017 0.000 0.883 273 D CB 0.346 41.160 40.800 0.023 0.000 1.149 273 D HN 0.355 nan 8.370 nan 0.000 0.488 274 F N 3.590 123.451 119.950 -0.149 0.000 2.385 274 F HA 0.329 4.856 4.527 -0.000 0.000 0.360 274 F C -0.669 175.079 175.800 -0.087 0.000 1.122 274 F CA -0.768 57.159 58.000 -0.121 0.000 1.090 274 F CB 0.794 39.691 39.000 -0.171 0.000 1.150 274 F HN 0.003 nan 8.300 nan 0.000 0.472 275 V N 6.888 126.567 119.914 -0.392 0.000 2.417 275 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 275 V C -0.601 175.263 176.094 -0.383 0.000 1.024 275 V CA -0.907 61.229 62.300 -0.273 0.000 0.861 275 V CB 1.448 33.174 31.823 -0.162 0.000 0.985 275 V HN 0.486 nan 8.190 nan 0.000 0.436 276 V N 5.448 125.235 119.914 -0.211 0.000 2.328 276 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 276 V C 0.072 176.058 176.094 -0.181 0.000 1.021 276 V CA -0.759 61.421 62.300 -0.200 0.000 0.838 276 V CB 1.310 33.079 31.823 -0.089 0.000 0.999 276 V HN 0.857 nan 8.190 nan 0.000 0.447 277 Q N 3.542 123.238 119.800 -0.174 0.000 2.352 277 Q HA 0.292 4.632 4.340 -0.000 0.000 0.260 277 Q C -0.862 175.001 176.000 -0.228 0.000 0.976 277 Q CA 0.011 55.735 55.803 -0.132 0.000 0.881 277 Q CB 0.874 29.556 28.738 -0.093 0.000 1.235 277 Q HN 0.632 nan 8.270 nan 0.000 0.419 278 Y N 0.133 120.320 120.300 -0.188 0.000 2.299 278 Y HA 0.382 4.932 4.550 -0.000 0.000 0.326 278 Y C 0.746 176.531 175.900 -0.193 0.000 1.164 278 Y CA -0.357 57.517 58.100 -0.377 0.000 1.234 278 Y CB 1.064 39.217 38.460 -0.512 0.000 1.219 278 Y HN 0.697 nan 8.280 nan 0.000 0.497 279 A N 2.719 125.558 122.820 0.032 0.000 2.272 279 A HA 0.401 4.721 4.320 -0.000 0.000 0.275 279 A C -0.252 177.316 177.584 -0.026 0.000 1.096 279 A CA -0.762 51.235 52.037 -0.067 0.000 0.822 279 A CB 0.079 18.931 19.000 -0.247 0.000 1.088 279 A HN 0.887 nan 8.150 nan 0.000 0.495 280 N N -2.096 116.507 118.700 -0.162 0.000 2.447 280 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 280 N C 0.884 176.251 175.510 -0.238 0.000 1.226 280 N CA 0.319 53.262 53.050 -0.177 0.000 0.980 280 N CB 0.551 38.922 38.487 -0.193 0.000 1.206 280 N HN 1.844 nan 8.380 nan 0.000 0.558 281 L N -4.064 117.054 121.223 -0.174 0.000 3.570 281 L HA -0.219 4.121 4.340 -0.000 0.000 0.382 281 L C 0.043 177.153 176.870 0.400 0.000 0.698 281 L CA 1.408 56.285 54.840 0.061 0.000 2.990 281 L CB -2.920 39.117 42.059 -0.037 0.000 0.731 281 L HN 0.611 nan 8.230 nan 0.000 0.725 282 Y N 1.742 122.063 120.300 0.035 0.000 2.309 282 Y HA 0.657 5.207 4.550 -0.000 0.000 0.327 282 Y C 1.383 177.324 175.900 0.069 0.000 1.172 282 Y CA -1.169 56.832 58.100 -0.166 0.000 1.280 282 Y CB 0.562 38.446 38.460 -0.962 0.000 1.234 282 Y HN 0.535 nan 8.280 nan 0.000 0.512 283 R N 3.990 124.628 120.500 0.229 0.000 2.233 283 R HA 0.251 4.591 4.340 -0.000 0.000 0.334 283 R C -1.519 174.872 176.300 0.151 0.000 1.037 283 R CA -0.664 55.563 56.100 0.212 0.000 0.920 283 R CB 0.160 30.501 30.300 0.068 0.000 1.137 283 R HN 0.508 nan 8.270 nan 0.000 0.492 284 Y N 2.935 123.367 120.300 0.219 0.000 2.531 284 Y HA 0.040 4.590 4.550 -0.000 0.000 0.347 284 Y C 1.571 177.553 175.900 0.135 0.000 1.024 284 Y CA -0.220 58.022 58.100 0.238 0.000 1.306 284 Y CB 0.615 39.243 38.460 0.280 0.000 1.149 284 Y HN 0.448 nan 8.280 nan 0.000 0.527 285 L N 1.945 123.304 121.223 0.227 0.000 2.209 285 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 285 L C 0.746 177.735 176.870 0.198 0.000 1.094 285 L CA 0.653 55.564 54.840 0.119 0.000 0.790 285 L CB -0.136 41.911 42.059 -0.019 0.000 0.932 285 L HN 0.630 nan 8.230 nan 0.000 0.447 286 S N -2.004 113.875 115.700 0.298 0.000 2.547 286 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 286 S C -0.632 174.161 174.600 0.323 0.000 1.150 286 S CA -0.708 57.635 58.200 0.238 0.000 0.850 286 S CB 2.301 65.691 63.200 0.318 0.000 1.118 286 S HN -0.077 nan 8.310 nan 0.000 0.461 287 T N 2.122 116.778 114.554 0.169 0.000 2.886 287 T HA 0.630 4.980 4.350 -0.000 0.000 0.292 287 T C -0.961 173.714 174.700 -0.043 0.000 1.012 287 T CA -0.424 61.725 62.100 0.082 0.000 0.982 287 T CB 0.933 69.905 68.868 0.173 0.000 1.018 287 T HN 0.666 nan 8.240 nan 0.000 0.451 288 I N 2.248 122.713 120.570 -0.174 0.000 2.498 288 I HA 0.694 4.864 4.170 -0.000 0.000 0.290 288 I C -0.428 175.535 176.117 -0.256 0.000 1.032 288 I CA -0.948 60.301 61.300 -0.085 0.000 1.073 288 I CB 1.737 39.790 38.000 0.089 0.000 1.251 288 I HN 0.732 nan 8.210 nan 0.000 0.426 289 A N 6.450 129.172 122.820 -0.164 0.000 2.335 289 A HA 0.759 5.079 4.320 -0.000 0.000 0.304 289 A C -1.081 176.593 177.584 0.150 0.000 1.118 289 A CA -0.480 51.480 52.037 -0.129 0.000 0.757 289 A CB 1.350 20.158 19.000 -0.319 0.000 1.188 289 A HN 0.396 nan 8.150 nan 0.000 0.460 290 V N 3.338 123.371 119.914 0.198 0.000 2.370 290 V HA 0.314 4.434 4.120 -0.000 0.000 0.283 290 V C -0.689 175.615 176.094 0.350 0.000 1.023 290 V CA -0.384 62.079 62.300 0.272 0.000 0.857 290 V CB 1.214 33.166 31.823 0.216 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.324 125.385 119.950 0.184 0.000 2.451 291 F HA 0.374 4.901 4.527 -0.000 0.000 0.356 291 F C 0.421 176.126 175.800 -0.159 0.000 1.178 291 F CA -1.876 56.148 58.000 0.040 0.000 1.210 291 F CB 0.183 39.227 39.000 0.073 0.000 1.504 291 F HN 0.607 nan 8.300 nan 0.000 0.598 292 D N 4.055 124.450 120.400 -0.008 0.000 2.435 292 D HA -0.027 4.613 4.640 -0.000 0.000 0.230 292 D C -0.102 175.871 176.300 -0.546 0.000 1.215 292 D CA 0.108 53.778 54.000 -0.549 0.000 0.947 292 D CB -0.250 40.479 40.800 -0.118 0.000 1.048 292 D HN 0.258 nan 8.370 nan 0.000 0.512 293 N N 2.938 121.058 118.700 -0.966 0.000 3.050 293 N HA 0.214 4.954 4.740 -0.000 0.000 0.289 293 N C 0.710 175.919 175.510 -0.502 0.000 1.209 293 N CA 0.421 52.951 53.050 -0.867 0.000 1.154 293 N CB -0.416 37.339 38.487 -1.221 0.000 1.444 293 N HN 0.623 nan 8.380 nan 0.000 0.529 294 G N 0.867 109.472 108.800 -0.325 0.000 2.273 294 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.280 294 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.280 294 G C 0.947 175.710 174.900 -0.227 0.000 1.047 294 G CA 0.458 45.431 45.100 -0.212 0.000 0.869 294 G HN 1.105 nan 8.290 nan 0.000 0.502 295 G N -2.288 106.325 108.800 -0.310 0.000 2.176 295 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.253 295 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.253 295 G C 0.437 175.180 174.900 -0.261 0.000 0.979 295 G CA 0.788 45.765 45.100 -0.206 0.000 0.641 295 G HN 1.760 nan 8.290 nan 0.000 0.530 296 S N -0.049 115.369 115.700 -0.470 0.000 2.475 296 S HA 0.768 5.237 4.470 -0.000 0.000 0.298 296 S C -0.780 173.423 174.600 -0.661 0.000 1.119 296 S CA -0.384 57.601 58.200 -0.358 0.000 1.085 296 S CB 0.885 63.917 63.200 -0.280 0.000 1.028 296 S HN 0.303 nan 8.310 nan 0.000 0.489 297 F N 3.083 122.923 119.950 -0.184 0.000 2.445 297 F HA 0.448 4.975 4.527 -0.000 0.000 0.348 297 F C 0.474 176.206 175.800 -0.114 0.000 1.125 297 F CA -0.871 57.027 58.000 -0.170 0.000 0.983 297 F CB 1.180 40.080 39.000 -0.167 0.000 1.198 297 F HN 0.387 nan 8.300 nan 0.000 0.436 298 N N 1.471 120.168 118.700 -0.004 0.000 2.384 298 N HA 0.503 5.243 4.740 -0.000 0.000 0.301 298 N C -0.505 175.068 175.510 0.106 0.000 1.133 298 N CA -0.743 52.325 53.050 0.030 0.000 0.853 298 N CB 2.186 40.658 38.487 -0.026 0.000 1.241 298 N HN 0.565 nan 8.380 nan 0.000 0.502 299 A N 0.540 123.419 122.820 0.099 0.000 3.037 299 A HA 0.465 4.785 4.320 -0.000 0.000 0.272 299 A C 1.352 179.043 177.584 0.177 0.000 1.723 299 A CA 0.316 52.431 52.037 0.129 0.000 1.413 299 A CB -1.444 17.611 19.000 0.093 0.000 1.112 299 A HN 0.919 nan 8.150 nan 0.000 0.606 300 G N 1.232 110.199 108.800 0.279 0.000 2.257 300 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.267 300 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.267 300 G C 1.247 176.228 174.900 0.135 0.000 0.984 300 G CA 1.573 46.825 45.100 0.253 0.000 0.626 300 G HN 1.510 nan 8.290 nan 0.000 0.540 301 T N -0.810 113.806 114.554 0.104 0.000 3.051 301 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 301 T C 1.453 176.180 174.700 0.046 0.000 1.127 301 T CA 1.736 63.873 62.100 0.062 0.000 1.107 301 T CB -0.159 68.735 68.868 0.042 0.000 0.898 301 T HN 0.594 nan 8.240 nan 0.000 0.517 302 D N 0.345 120.783 120.400 0.065 0.000 2.368 302 D HA 0.244 4.884 4.640 -0.000 0.000 0.218 302 D C 0.182 176.563 176.300 0.136 0.000 1.112 302 D CA -0.493 53.554 54.000 0.077 0.000 0.834 302 D CB -0.235 40.571 40.800 0.010 0.000 0.953 302 D HN 0.466 nan 8.370 nan 0.000 0.505 303 I N 0.417 121.023 120.570 0.061 0.000 2.545 303 I HA 0.236 4.405 4.170 -0.000 0.000 0.292 303 I C 0.635 176.698 176.117 -0.091 0.000 1.040 303 I CA -0.885 60.379 61.300 -0.061 0.000 1.068 303 I CB 2.123 40.024 38.000 -0.165 0.000 1.251 303 I HN -0.258 nan 8.210 nan 0.000 0.424 304 N N 3.628 122.223 118.700 -0.175 0.000 2.197 304 N HA 0.015 4.755 4.740 -0.000 0.000 0.184 304 N C -0.608 174.888 175.510 -0.023 0.000 1.030 304 N CA 1.339 54.325 53.050 -0.106 0.000 0.851 304 N CB 0.321 38.705 38.487 -0.172 0.000 1.003 304 N HN 0.630 nan 8.380 nan 0.000 0.430 305 Y N -1.885 118.335 120.300 -0.133 0.000 2.741 305 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 305 Y C -1.792 173.930 175.900 -0.297 0.000 1.226 305 Y CA -1.434 56.570 58.100 -0.161 0.000 1.072 305 Y CB 0.436 38.844 38.460 -0.087 0.000 1.331 305 Y HN -0.279 nan 8.280 nan 0.000 0.453 306 L N 1.641 122.776 121.223 -0.147 0.000 2.309 306 L HA 0.935 5.274 4.340 -0.000 0.000 0.261 306 L C -0.065 176.650 176.870 -0.258 0.000 1.021 306 L CA -0.582 53.929 54.840 -0.549 0.000 0.823 306 L CB 2.180 43.409 42.059 -1.383 0.000 1.366 306 L HN 0.893 nan 8.230 nan 0.000 0.423 307 S N -0.331 115.122 115.700 -0.411 0.000 2.636 307 S HA 0.558 5.028 4.470 -0.000 0.000 0.266 307 S C -2.099 172.384 174.600 -0.196 0.000 1.147 307 S CA -0.617 57.551 58.200 -0.052 0.000 0.815 307 S CB 1.556 64.769 63.200 0.021 0.000 1.119 307 S HN 0.574 nan 8.310 nan 0.000 0.470 308 Q N 1.055 120.862 119.800 0.012 0.000 2.310 308 Q HA 0.539 4.879 4.340 -0.000 0.000 0.270 308 Q C -1.147 174.876 176.000 0.038 0.000 1.025 308 Q CA -0.522 55.313 55.803 0.053 0.000 0.772 308 Q CB 2.335 31.152 28.738 0.133 0.000 1.253 308 Q HN 0.522 nan 8.270 nan 0.000 0.450 309 R N 0.771 121.297 120.500 0.043 0.000 2.670 309 R HA 0.550 4.890 4.340 -0.000 0.000 0.289 309 R C -1.066 175.251 176.300 0.027 0.000 0.965 309 R CA -0.197 55.917 56.100 0.024 0.000 0.899 309 R CB 1.646 31.952 30.300 0.011 0.000 1.173 309 R HN 0.503 nan 8.270 nan 0.000 0.456 310 T N 2.146 116.706 114.554 0.011 0.000 2.875 310 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 310 T C 1.359 176.059 174.700 0.000 0.000 0.995 310 T CA -0.123 61.981 62.100 0.005 0.000 1.060 310 T CB 1.697 70.564 68.868 -0.001 0.000 0.967 310 T HN 0.787 nan 8.240 nan 0.000 0.476 311 A N 3.405 126.224 122.820 -0.002 0.000 2.033 311 A HA -0.396 3.924 4.320 -0.000 0.000 0.282 311 A C 2.200 179.778 177.584 -0.010 0.000 2.983 311 A CA 3.333 55.365 52.037 -0.009 0.000 0.987 311 A CB -1.843 17.149 19.000 -0.013 0.000 0.716 311 A HN 1.122 nan 8.150 nan 0.000 0.495 312 N N -2.461 116.233 118.700 -0.010 0.000 2.499 312 N HA 0.426 5.166 4.740 -0.000 0.000 0.182 312 N C 1.582 177.086 175.510 -0.010 0.000 1.034 312 N CA 1.372 54.416 53.050 -0.010 0.000 0.882 312 N CB -0.757 37.724 38.487 -0.011 0.000 1.125 312 N HN 1.468 nan 8.380 nan 0.000 0.436 313 F N 0.830 120.774 119.950 -0.009 0.000 2.645 313 F HA 0.495 5.021 4.527 -0.000 0.000 0.290 313 F C 1.629 177.422 175.800 -0.011 0.000 1.237 313 F CA 0.525 58.519 58.000 -0.010 0.000 1.322 313 F CB -0.768 38.227 39.000 -0.008 0.000 1.212 313 F HN 0.469 nan 8.300 nan 0.000 0.557 314 S N -1.400 114.292 115.700 -0.015 0.000 2.397 314 S HA 0.432 4.902 4.470 -0.000 0.000 0.261 314 S C -0.753 173.836 174.600 -0.017 0.000 1.151 314 S CA 0.229 58.417 58.200 -0.020 0.000 1.022 314 S CB 0.215 63.397 63.200 -0.029 0.000 1.187 314 S HN 0.706 nan 8.310 nan 0.000 0.473 315 D N 0.757 121.141 120.400 -0.028 0.000 2.264 315 D HA 0.324 4.963 4.640 -0.000 0.000 0.249 315 D C 0.548 176.839 176.300 -0.015 0.000 1.070 315 D CA -0.100 53.887 54.000 -0.021 0.000 0.912 315 D CB 1.003 41.778 40.800 -0.041 0.000 1.193 315 D HN 0.502 nan 8.370 nan 0.000 0.427 316 T N -1.627 112.926 114.554 -0.001 0.000 3.069 316 T HA 0.200 4.550 4.350 -0.000 0.000 0.252 316 T C 0.901 175.602 174.700 0.001 0.000 1.053 316 T CA -0.307 61.791 62.100 -0.003 0.000 0.964 316 T CB 0.181 69.048 68.868 -0.002 0.000 1.005 316 T HN 0.294 nan 8.240 nan 0.000 0.532 317 R N 0.408 120.922 120.500 0.024 0.000 2.470 317 R HA 0.235 4.574 4.340 -0.000 0.000 0.354 317 R C -0.809 175.570 176.300 0.131 0.000 1.058 317 R CA -0.311 55.822 56.100 0.054 0.000 1.183 317 R CB 0.505 30.834 30.300 0.048 0.000 1.398 317 R HN 0.164 nan 8.270 nan 0.000 0.679 318 K N 2.040 122.464 120.400 0.040 0.000 2.338 318 K HA 0.277 4.597 4.320 -0.000 0.000 0.290 318 K C -0.820 175.806 176.600 0.043 0.000 1.069 318 K CA 0.265 56.550 56.287 -0.004 0.000 0.941 318 K CB 0.309 32.681 32.500 -0.214 0.000 1.023 318 K HN 0.140 nan 8.250 nan 0.000 0.477 319 L N 3.457 124.798 121.223 0.197 0.000 2.371 319 L HA 0.352 4.692 4.340 -0.000 0.000 0.262 319 L C -0.466 176.543 176.870 0.232 0.000 1.006 319 L CA -1.389 53.584 54.840 0.221 0.000 0.818 319 L CB 2.064 44.326 42.059 0.338 0.000 1.354 319 L HN 0.737 nan 8.230 nan 0.000 0.415 320 D N 0.500 121.008 120.400 0.179 0.000 2.368 320 D HA 0.131 4.770 4.640 -0.000 0.000 0.240 320 D C -2.093 174.318 176.300 0.185 0.000 1.169 320 D CA -1.172 52.925 54.000 0.161 0.000 0.906 320 D CB 0.649 41.523 40.800 0.123 0.000 1.187 320 D HN 0.194 nan 8.370 nan 0.000 0.435 321 P HA -0.218 nan 4.420 nan 0.000 0.216 321 P C 1.043 178.507 177.300 0.273 0.000 1.153 321 P CA 1.514 64.707 63.100 0.157 0.000 0.858 321 P CB 0.109 31.866 31.700 0.096 0.000 0.789 322 K N -1.150 119.375 120.400 0.208 0.000 2.057 322 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 322 K C 1.971 178.697 176.600 0.210 0.000 1.050 322 K CA 1.679 58.085 56.287 0.197 0.000 0.935 322 K CB -0.699 31.884 32.500 0.137 0.000 0.715 322 K HN 0.153 nan 8.250 nan 0.000 0.439 323 T N 0.507 115.182 114.554 0.201 0.000 2.867 323 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 323 T C 1.185 176.025 174.700 0.232 0.000 1.057 323 T CA 0.681 62.887 62.100 0.177 0.000 1.136 323 T CB -0.143 68.809 68.868 0.140 0.000 0.874 323 T HN 0.428 nan 8.240 nan 0.000 0.466 324 W N 2.151 123.522 121.300 0.118 0.000 2.355 324 W HA -0.076 4.584 4.660 -0.000 0.000 0.309 324 W C 2.481 179.120 176.519 0.201 0.000 1.206 324 W CA 1.240 58.675 57.345 0.150 0.000 1.284 324 W CB -0.597 28.958 29.460 0.158 0.000 1.145 324 W HN 0.291 nan 8.180 nan 0.000 0.502 325 A N 0.919 124.043 122.820 0.507 0.000 1.972 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 325 A C 2.180 179.891 177.584 0.213 0.000 1.169 325 A CA 2.594 54.859 52.037 0.380 0.000 0.635 325 A CB -1.212 17.982 19.000 0.324 0.000 0.810 325 A HN 0.301 nan 8.150 nan 0.000 0.446 326 A N -0.672 122.245 122.820 0.162 0.000 1.877 326 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 326 A C 2.103 179.724 177.584 0.062 0.000 1.186 326 A CA 1.686 53.780 52.037 0.096 0.000 0.620 326 A CB -0.493 18.555 19.000 0.079 0.000 0.822 326 A HN 0.535 nan 8.150 nan 0.000 0.443 327 Q N -0.465 119.350 119.800 0.026 0.000 2.096 327 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 327 Q C 2.115 178.141 176.000 0.044 0.000 0.982 327 Q CA 2.009 57.799 55.803 -0.021 0.000 0.850 327 Q CB -1.289 27.355 28.738 -0.158 0.000 0.901 327 Q HN 0.639 nan 8.270 nan 0.000 0.422 328 T N 1.300 115.919 114.554 0.108 0.000 2.788 328 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 328 T C 1.843 176.609 174.700 0.109 0.000 1.044 328 T CA 0.856 63.093 62.100 0.228 0.000 1.139 328 T CB -0.069 69.027 68.868 0.380 0.000 0.867 328 T HN 0.265 nan 8.240 nan 0.000 0.454 329 R N 0.726 121.269 120.500 0.073 0.000 2.120 329 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 329 R C 2.486 178.792 176.300 0.009 0.000 1.123 329 R CA 0.841 56.953 56.100 0.020 0.000 0.975 329 R CB -0.089 30.229 30.300 0.029 0.000 0.866 329 R HN 0.280 nan 8.270 nan 0.000 0.446 330 R N 0.136 120.653 120.500 0.028 0.000 2.235 330 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 330 R C 1.905 178.221 176.300 0.026 0.000 1.059 330 R CA 0.630 56.743 56.100 0.021 0.000 0.997 330 R CB -0.006 30.308 30.300 0.023 0.000 0.884 330 R HN 0.158 nan 8.270 nan 0.000 0.462 331 R N 0.685 121.214 120.500 0.048 0.000 2.090 331 R HA 0.117 4.457 4.340 -0.000 0.000 0.219 331 R C 2.066 178.352 176.300 -0.024 0.000 1.100 331 R CA 0.898 57.035 56.100 0.061 0.000 0.991 331 R CB -0.086 30.329 30.300 0.191 0.000 0.893 331 R HN 0.325 nan 8.270 nan 0.000 0.443 332 I N -3.895 116.618 120.570 -0.094 0.000 4.050 332 I HA 0.474 4.644 4.170 -0.000 0.000 0.327 332 I C 0.471 176.494 176.117 -0.156 0.000 1.473 332 I CA 0.071 61.261 61.300 -0.182 0.000 1.124 332 I CB 0.864 38.621 38.000 -0.405 0.000 1.129 332 I HN -0.021 nan 8.210 nan 0.000 0.428 333 A N 0.190 122.953 122.820 -0.096 0.000 2.829 333 A HA -0.232 4.088 4.320 -0.000 0.000 0.267 333 A C 0.665 178.200 177.584 -0.083 0.000 1.370 333 A CA 1.792 53.785 52.037 -0.074 0.000 0.900 333 A CB -2.293 16.666 19.000 -0.068 0.000 1.044 333 A HN 0.813 nan 8.150 nan 0.000 0.691 334 T N -1.928 112.556 114.554 -0.116 0.000 2.654 334 T HA 0.496 4.846 4.350 -0.000 0.000 0.303 334 T C -2.107 172.508 174.700 -0.141 0.000 1.656 334 T CA 0.113 62.147 62.100 -0.111 0.000 0.971 334 T CB 0.963 69.757 68.868 -0.122 0.000 1.811 334 T HN 0.260 nan 8.240 nan 0.000 0.483 335 D N 0.630 120.966 120.400 -0.106 0.000 2.193 335 D HA 0.524 5.164 4.640 -0.000 0.000 0.249 335 D C -0.296 175.908 176.300 -0.161 0.000 1.034 335 D CA -0.095 53.863 54.000 -0.070 0.000 0.902 335 D CB 0.756 41.566 40.800 0.016 0.000 1.182 335 D HN 0.284 nan 8.370 nan 0.000 0.436 336 F N 0.784 120.673 119.950 -0.102 0.000 2.399 336 F HA 0.235 4.762 4.527 -0.000 0.000 0.313 336 F C -1.330 174.369 175.800 -0.169 0.000 1.202 336 F CA -1.397 56.467 58.000 -0.227 0.000 1.192 336 F CB -0.169 38.592 39.000 -0.398 0.000 1.256 336 F HN 0.086 nan 8.300 nan 0.000 0.558 337 P HA -0.006 nan 4.420 nan 0.000 0.271 337 P C -1.086 176.234 177.300 0.034 0.000 1.238 337 P CA -0.290 62.865 63.100 0.092 0.000 0.794 337 P CB 0.305 32.151 31.700 0.244 0.000 0.959 338 K N 0.982 121.406 120.400 0.041 0.000 2.504 338 K HA 0.139 4.459 4.320 -0.000 0.000 0.278 338 K C 1.278 177.918 176.600 0.067 0.000 1.025 338 K CA 1.287 57.599 56.287 0.042 0.000 1.093 338 K CB -0.752 31.793 32.500 0.075 0.000 0.873 338 K HN 0.858 nan 8.250 nan 0.000 0.483 339 G N 1.269 110.059 108.800 -0.017 0.000 2.179 339 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 339 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 339 G C 0.019 174.826 174.900 -0.155 0.000 0.977 339 G CA 0.024 45.166 45.100 0.069 0.000 0.641 339 G HN 0.435 nan 8.290 nan 0.000 0.533 340 V N 1.170 120.845 119.914 -0.398 0.000 2.350 340 V HA 0.633 4.753 4.120 -0.000 0.000 0.276 340 V C -0.336 175.383 176.094 -0.625 0.000 1.028 340 V CA -0.774 61.300 62.300 -0.377 0.000 0.860 340 V CB 0.794 32.385 31.823 -0.386 0.000 0.990 340 V HN 0.245 nan 8.190 nan 0.000 0.453 341 Y N 4.394 124.737 120.300 0.072 0.000 2.364 341 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 341 Y C -0.420 175.664 175.900 0.306 0.000 0.975 341 Y CA -0.831 57.413 58.100 0.240 0.000 1.089 341 Y CB 1.598 40.143 38.460 0.142 0.000 1.192 341 Y HN 0.641 nan 8.280 nan 0.000 0.454 342 Y N 2.412 122.998 120.300 0.477 0.000 2.487 342 Y HA 0.682 5.232 4.550 -0.000 0.000 0.337 342 Y C -1.073 175.124 175.900 0.496 0.000 1.076 342 Y CA -1.751 56.538 58.100 0.316 0.000 1.115 342 Y CB 1.690 40.254 38.460 0.173 0.000 1.235 342 Y HN 0.788 nan 8.280 nan 0.000 0.468 343 C N 6.411 125.424 119.300 -0.478 0.000 2.505 343 C HA 0.352 4.812 4.460 -0.000 0.000 0.342 343 C C -1.459 173.095 174.990 -0.726 0.000 1.121 343 C CA -0.711 58.086 59.018 -0.368 0.000 1.306 343 C CB -0.061 27.866 27.740 0.312 0.000 1.897 343 C HN 0.888 nan 8.230 nan 0.000 0.446 344 D N 3.909 123.970 120.400 -0.565 0.000 2.232 344 D HA 0.336 4.976 4.640 -0.000 0.000 0.242 344 D C 0.061 176.316 176.300 -0.074 0.000 1.093 344 D CA 0.225 54.080 54.000 -0.242 0.000 0.845 344 D CB 0.821 41.635 40.800 0.023 0.000 1.124 344 D HN 0.707 nan 8.370 nan 0.000 0.467 345 N N 3.369 122.072 118.700 0.005 0.000 2.451 345 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 345 N C 1.062 176.602 175.510 0.049 0.000 1.410 345 N CA -0.146 52.922 53.050 0.029 0.000 0.884 345 N CB 0.708 39.225 38.487 0.049 0.000 1.332 345 N HN 0.356 nan 8.380 nan 0.000 0.498 346 R N 0.457 120.996 120.500 0.065 0.000 2.081 346 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 346 R C 0.784 177.104 176.300 0.035 0.000 1.131 346 R CA 1.181 57.319 56.100 0.063 0.000 0.960 346 R CB 0.130 30.504 30.300 0.122 0.000 0.856 346 R HN 0.119 nan 8.270 nan 0.000 0.436 347 D N 0.283 120.705 120.400 0.037 0.000 2.162 347 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 347 D C 0.277 176.588 176.300 0.018 0.000 0.967 347 D CA 1.250 55.265 54.000 0.025 0.000 0.840 347 D CB 0.238 41.053 40.800 0.025 0.000 0.972 347 D HN 0.067 nan 8.370 nan 0.000 0.482 348 K N 1.070 121.482 120.400 0.020 0.000 2.687 348 K HA 0.294 4.614 4.320 -0.000 0.000 0.197 348 K C -2.705 173.914 176.600 0.032 0.000 1.049 348 K CA -1.538 54.762 56.287 0.022 0.000 1.030 348 K CB 2.390 34.900 32.500 0.018 0.000 1.261 348 K HN -0.099 nan 8.250 nan 0.000 0.565 349 P HA -0.009 nan 4.420 nan 0.000 0.266 349 P C -0.181 177.180 177.300 0.102 0.000 1.193 349 P CA -0.010 63.133 63.100 0.072 0.000 0.770 349 P CB 0.560 32.298 31.700 0.063 0.000 0.836 350 I N 3.187 123.818 120.570 0.102 0.000 2.517 350 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 350 I C -0.086 176.191 176.117 0.267 0.000 1.106 350 I CA 0.456 61.775 61.300 0.031 0.000 1.402 350 I CB -0.234 37.556 38.000 -0.350 0.000 1.399 350 I HN 0.313 nan 8.210 nan 0.000 0.535 351 Y N 5.887 126.218 120.300 0.051 0.000 2.400 351 Y HA 0.133 4.683 4.550 -0.000 0.000 0.335 351 Y C 1.257 177.186 175.900 0.047 0.000 1.066 351 Y CA -1.323 56.830 58.100 0.088 0.000 1.285 351 Y CB 1.154 39.658 38.460 0.073 0.000 1.103 351 Y HN 0.748 nan 8.280 nan 0.000 0.490 352 T N -0.186 114.296 114.554 -0.120 0.000 2.869 352 T HA -0.231 4.119 4.350 -0.000 0.000 0.270 352 T C 2.037 176.597 174.700 -0.233 0.000 1.082 352 T CA 1.893 63.907 62.100 -0.144 0.000 1.123 352 T CB -0.669 68.133 68.868 -0.110 0.000 0.856 352 T HN 0.480 nan 8.240 nan 0.000 0.499 353 L N 0.790 121.712 121.223 -0.503 0.000 2.093 353 L HA 0.278 4.617 4.340 -0.000 0.000 0.208 353 L C 3.285 180.064 176.870 -0.152 0.000 1.085 353 L CA 2.410 57.020 54.840 -0.384 0.000 0.755 353 L CB -2.303 39.401 42.059 -0.592 0.000 0.904 353 L HN 0.691 nan 8.230 nan 0.000 0.435 354 Q N -1.605 118.164 119.800 -0.052 0.000 2.135 354 Q HA 0.016 4.356 4.340 -0.000 0.000 0.204 354 Q C 1.575 177.596 176.000 0.035 0.000 0.981 354 Q CA 3.054 58.917 55.803 0.100 0.000 0.856 354 Q CB -1.023 27.852 28.738 0.228 0.000 0.902 354 Q HN 2.195 nan 8.270 nan 0.000 0.425 355 Y N -2.329 117.972 120.300 0.002 0.000 2.713 355 Y HA 0.539 5.089 4.550 -0.000 0.000 0.276 355 Y C 0.986 176.874 175.900 -0.019 0.000 1.047 355 Y CA -0.534 57.563 58.100 -0.005 0.000 1.215 355 Y CB -0.287 38.178 38.460 0.008 0.000 1.134 355 Y HN 1.302 nan 8.280 nan 0.000 0.577 356 G N 0.982 109.762 108.800 -0.035 0.000 2.953 356 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.421 356 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.421 356 G C -0.049 174.832 174.900 -0.032 0.000 1.531 356 G CA -0.083 44.996 45.100 -0.035 0.000 0.971 356 G HN 1.445 nan 8.290 nan 0.000 0.558 357 N N -1.152 117.531 118.700 -0.028 0.000 2.412 357 N HA 0.257 4.997 4.740 -0.000 0.000 0.254 357 N C 0.155 175.672 175.510 0.012 0.000 1.232 357 N CA 0.146 53.189 53.050 -0.012 0.000 0.880 357 N CB 0.286 38.763 38.487 -0.017 0.000 1.076 357 N HN 0.477 nan 8.380 nan 0.000 0.458 358 V N 1.099 121.043 119.914 0.049 0.000 2.680 358 V HA 0.700 4.820 4.120 -0.000 0.000 0.309 358 V C 0.628 176.876 176.094 0.256 0.000 1.052 358 V CA -0.731 61.625 62.300 0.093 0.000 0.908 358 V CB 1.762 33.585 31.823 -0.001 0.000 1.001 358 V HN 0.800 nan 8.190 nan 0.000 0.431 359 G N 1.364 110.304 108.800 0.234 0.000 2.574 359 G HA2 0.667 4.627 3.960 -0.000 0.000 0.299 359 G HA3 0.667 4.627 3.960 -0.000 0.000 0.299 359 G C -1.886 173.179 174.900 0.276 0.000 1.298 359 G CA -0.610 44.615 45.100 0.208 0.000 0.952 359 G HN 0.469 nan 8.290 nan 0.000 0.477 360 F N 1.662 121.644 119.950 0.053 0.000 2.408 360 F HA 0.639 5.165 4.527 -0.000 0.000 0.344 360 F C -0.213 175.585 175.800 -0.004 0.000 1.112 360 F CA -0.475 57.576 58.000 0.085 0.000 1.096 360 F CB 1.702 40.691 39.000 -0.019 0.000 1.129 360 F HN 0.271 nan 8.300 nan 0.000 0.486 361 V N 6.423 126.072 119.914 -0.441 0.000 2.555 361 V HA 0.574 4.693 4.120 -0.000 0.000 0.302 361 V C -0.864 175.028 176.094 -0.336 0.000 1.038 361 V CA -0.899 61.260 62.300 -0.235 0.000 0.887 361 V CB 1.642 33.398 31.823 -0.112 0.000 0.991 361 V HN 0.551 nan 8.190 nan 0.000 0.434 362 V N 3.873 123.683 119.914 -0.174 0.000 2.482 362 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 362 V C -0.315 175.567 176.094 -0.353 0.000 1.026 362 V CA -0.619 61.495 62.300 -0.310 0.000 0.856 362 V CB 1.871 33.524 31.823 -0.283 0.000 1.001 362 V HN 0.894 nan 8.190 nan 0.000 0.424 363 N N 7.305 125.642 118.700 -0.604 0.000 2.527 363 N HA 0.360 5.099 4.740 -0.000 0.000 0.236 363 N C -2.696 172.519 175.510 -0.492 0.000 0.999 363 N CA -1.564 51.115 53.050 -0.618 0.000 0.935 363 N CB 2.270 40.058 38.487 -1.165 0.000 1.132 363 N HN 0.320 nan 8.380 nan 0.000 0.511 364 P HA 0.167 nan 4.420 nan 0.000 0.278 364 P C 0.203 177.428 177.300 -0.125 0.000 1.238 364 P CA -0.211 62.749 63.100 -0.233 0.000 0.794 364 P CB 2.032 33.589 31.700 -0.238 0.000 0.955 365 K N 1.531 121.902 120.400 -0.049 0.000 2.128 365 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 365 K C 0.505 177.102 176.600 -0.004 0.000 1.050 365 K CA 0.957 57.227 56.287 -0.028 0.000 0.966 365 K CB 0.140 32.634 32.500 -0.010 0.000 0.759 365 K HN 0.628 nan 8.250 nan 0.000 0.454 366 T N -1.408 113.164 114.554 0.030 0.000 2.921 366 T HA 0.492 4.842 4.350 -0.000 0.000 0.297 366 T C -1.047 173.687 174.700 0.056 0.000 1.013 366 T CA -0.917 61.194 62.100 0.017 0.000 0.990 366 T CB 1.908 70.769 68.868 -0.012 0.000 1.023 366 T HN -0.172 nan 8.240 nan 0.000 0.447 367 V N 4.711 124.641 119.914 0.026 0.000 2.407 367 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 367 V C -0.202 175.876 176.094 -0.025 0.000 1.018 367 V CA -1.025 61.301 62.300 0.044 0.000 0.842 367 V CB 1.325 33.160 31.823 0.021 0.000 0.996 367 V HN 0.904 nan 8.190 nan 0.000 0.426 368 N N 2.646 121.301 118.700 -0.074 0.000 2.379 368 N HA 0.287 5.027 4.740 -0.000 0.000 0.260 368 N C 0.017 175.484 175.510 -0.070 0.000 1.254 368 N CA -0.632 52.362 53.050 -0.092 0.000 0.958 368 N CB 0.491 38.888 38.487 -0.151 0.000 1.208 368 N HN 0.527 nan 8.380 nan 0.000 0.532 369 Q N 1.227 120.990 119.800 -0.063 0.000 2.337 369 Q HA 0.068 4.408 4.340 -0.000 0.000 0.270 369 Q C -0.107 175.861 176.000 -0.053 0.000 1.002 369 Q CA 0.367 56.142 55.803 -0.046 0.000 0.888 369 Q CB 0.072 28.788 28.738 -0.036 0.000 1.222 369 Q HN 0.458 nan 8.270 nan 0.000 0.400 370 N N -1.043 117.635 118.700 -0.036 0.000 2.754 370 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 370 N C -0.781 174.702 175.510 -0.044 0.000 1.093 370 N CA 1.003 54.035 53.050 -0.030 0.000 0.699 370 N CB -1.281 37.190 38.487 -0.027 0.000 1.016 370 N HN 0.652 nan 8.380 nan 0.000 0.552 371 A N 0.804 123.600 122.820 -0.041 0.000 2.351 371 A HA 0.720 5.040 4.320 -0.000 0.000 0.257 371 A C 0.916 178.502 177.584 0.002 0.000 1.087 371 A CA 0.192 52.221 52.037 -0.013 0.000 0.798 371 A CB 0.814 19.847 19.000 0.054 0.000 1.033 371 A HN 0.492 nan 8.150 nan 0.000 0.488 372 R N 0.716 121.251 120.500 0.058 0.000 2.765 372 R HA 0.470 4.810 4.340 -0.000 0.000 0.277 372 R C -2.384 173.971 176.300 0.093 0.000 1.028 372 R CA -0.869 55.242 56.100 0.017 0.000 0.860 372 R CB 0.496 30.828 30.300 0.054 0.000 1.270 372 R HN 0.507 nan 8.270 nan 0.000 0.484 373 L N 2.610 123.869 121.223 0.061 0.000 2.296 373 L HA 0.496 4.836 4.340 -0.000 0.000 0.286 373 L C -0.609 176.357 176.870 0.161 0.000 1.023 373 L CA -1.103 53.807 54.840 0.116 0.000 0.812 373 L CB 1.688 43.812 42.059 0.109 0.000 1.223 373 L HN 0.453 nan 8.230 nan 0.000 0.421 374 L N 4.764 126.110 121.223 0.204 0.000 2.262 374 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 374 L C -0.128 176.845 176.870 0.172 0.000 1.035 374 L CA -0.281 54.715 54.840 0.260 0.000 0.820 374 L CB 1.157 43.488 42.059 0.453 0.000 1.204 374 L HN 0.480 nan 8.230 nan 0.000 0.424 375 M N 2.389 121.993 119.600 0.007 0.000 2.367 375 M HA 0.553 5.032 4.480 -0.000 0.000 0.339 375 M C 0.377 176.397 176.300 -0.466 0.000 1.177 375 M CA -0.343 54.784 55.300 -0.289 0.000 1.068 375 M CB 1.444 33.833 32.600 -0.352 0.000 1.602 375 M HN 0.577 nan 8.290 nan 0.000 0.457 376 G N 2.559 110.897 108.800 -0.769 0.000 2.643 376 G HA2 0.690 4.650 3.960 -0.000 0.000 0.305 376 G HA3 0.690 4.650 3.960 -0.000 0.000 0.305 376 G C -2.000 172.432 174.900 -0.779 0.000 1.387 376 G CA -0.261 44.179 45.100 -1.101 0.000 0.982 376 G HN 0.567 nan 8.290 nan 0.000 0.501 377 Y N 0.118 120.405 120.300 -0.021 0.000 2.499 377 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 377 Y C 0.230 176.371 175.900 0.402 0.000 0.987 377 Y CA -0.966 57.338 58.100 0.341 0.000 1.044 377 Y CB 2.782 41.557 38.460 0.524 0.000 1.245 377 Y HN 0.472 nan 8.280 nan 0.000 0.461 378 E N 2.299 122.831 120.200 0.553 0.000 2.199 378 E HA 0.457 4.807 4.350 -0.000 0.000 0.265 378 E C -1.843 174.918 176.600 0.267 0.000 0.882 378 E CA -0.696 55.864 56.400 0.268 0.000 0.759 378 E CB 1.561 31.445 29.700 0.307 0.000 1.148 378 E HN 0.592 nan 8.360 nan 0.000 0.412 379 Y N 1.294 121.582 120.300 -0.020 0.000 2.689 379 Y HA 0.625 5.175 4.550 -0.000 0.000 0.333 379 Y C -1.857 173.997 175.900 -0.077 0.000 1.208 379 Y CA -1.398 56.603 58.100 -0.165 0.000 1.055 379 Y CB 0.747 38.942 38.460 -0.441 0.000 1.304 379 Y HN 0.189 nan 8.280 nan 0.000 0.455 380 F N 0.562 120.608 119.950 0.159 0.000 2.492 380 F HA 0.821 5.348 4.527 -0.000 0.000 0.327 380 F C 0.192 176.072 175.800 0.133 0.000 1.079 380 F CA -0.884 57.165 58.000 0.082 0.000 0.967 380 F CB 2.193 41.194 39.000 0.002 0.000 1.169 380 F HN 0.756 nan 8.300 nan 0.000 0.472 381 T N 0.678 115.404 114.554 0.288 0.000 2.886 381 T HA 0.471 4.821 4.350 -0.000 0.000 0.330 381 T C -1.218 173.556 174.700 0.123 0.000 1.488 381 T CA -0.698 61.535 62.100 0.223 0.000 1.054 381 T CB 1.037 70.049 68.868 0.241 0.000 1.348 381 T HN 0.687 nan 8.240 nan 0.000 0.489 382 S N 2.700 118.467 115.700 0.113 0.000 2.610 382 S HA 0.689 5.159 4.470 -0.000 0.000 0.273 382 S C 0.387 175.025 174.600 0.064 0.000 1.274 382 S CA -0.972 57.265 58.200 0.062 0.000 1.023 382 S CB 0.866 64.098 63.200 0.054 0.000 0.962 382 S HN 0.818 nan 8.310 nan 0.000 0.523 383 R N 0.000 120.523 120.500 0.038 0.000 2.786 383 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 383 R CA 0.000 56.121 56.100 0.035 0.000 0.921 383 R CB 0.000 30.316 30.300 0.026 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535