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 1fc5_1_B DATA FIRST_RESID 6 DATA SEQUENCE GLXSLDTALN EXLSRVTPLT AQETLPLVQC FGRILASDVV SPLDVPGFDN DATA SEQUENCE SAXDGYAVRL ADIASGQPLP VAGKSFAGQP YHGEWPAGTC IRIXTGAPVP DATA SEQUENCE EGCEAVVXQE QTEQXDNGVR FTAEVRSGQN IRRRGEDISA GAVVFPAGTR DATA SEQUENCE LTTAELPVIA SLGIAEVPVI RKVRVALFST GDELQLPGQP LGDGQIYDTN DATA SEQUENCE RLAVHLXLEQ LGCEVINLGI IRDDPHALRA AFIEADSQAD VVISSGGVSV DATA SEQUENCE GEADYTKTIL EELGEIAFWK LAIKPGKPFA FGKLSNSWFC GLPGNPVSAT DATA SEQUENCE LTFYQLVQPL LAKLSGNTAS GLPARQRVRT ASRLKKTPGR LDFQRGVLQR DATA SEQUENCE NADGELEVTT TGHQGSHIFS SFSLGNCFIV LERDRGNVEV GEWVEVEPFN DATA SEQUENCE ALF 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 6 G C 0.000 174.921 174.900 0.036 0.000 0.946 6 G CA 0.000 45.118 45.100 0.030 0.000 0.502 10 L N 1.227 122.398 121.223 -0.087 0.000 2.156 10 L HA 0.141 4.491 4.340 0.018 0.000 0.208 10 L C 1.899 178.686 176.870 -0.138 0.000 1.095 10 L CA 1.986 56.762 54.840 -0.106 0.000 0.770 10 L CB -0.806 41.239 42.059 -0.023 0.000 0.914 10 L HN 0.850 nan 8.230 nan 0.000 0.439 11 D N -1.174 119.160 120.400 -0.110 0.000 2.144 11 D HA -0.158 4.492 4.640 0.018 0.000 0.199 11 D C 1.906 178.112 176.300 -0.157 0.000 0.984 11 D CA 1.828 55.759 54.000 -0.115 0.000 0.834 11 D CB 0.062 40.811 40.800 -0.085 0.000 0.955 11 D HN 0.373 nan 8.370 nan 0.000 0.465 12 T N 0.975 115.420 114.554 -0.182 0.000 2.708 12 T HA -0.115 4.246 4.350 0.018 0.000 0.266 12 T C 2.071 176.569 174.700 -0.337 0.000 1.037 12 T CA 1.469 63.432 62.100 -0.229 0.000 1.146 12 T CB -0.227 68.500 68.868 -0.234 0.000 0.865 12 T HN 0.174 nan 8.240 nan 0.000 0.435 13 A N 1.177 123.740 122.820 -0.429 0.000 1.877 13 A HA 0.031 4.361 4.320 0.018 0.000 0.216 13 A C 2.329 179.706 177.584 -0.345 0.000 1.186 13 A CA 1.117 52.800 52.037 -0.591 0.000 0.620 13 A CB -0.922 17.771 19.000 -0.513 0.000 0.822 13 A HN 0.452 nan 8.150 nan 0.000 0.443 14 L N -0.294 120.769 121.223 -0.267 0.000 1.994 14 L HA -0.224 4.127 4.340 0.018 0.000 0.208 14 L C 2.311 179.058 176.870 -0.205 0.000 1.071 14 L CA 1.736 56.438 54.840 -0.230 0.000 0.745 14 L CB -0.557 41.387 42.059 -0.191 0.000 0.892 14 L HN 0.423 nan 8.230 nan 0.000 0.431 15 N N -0.178 118.416 118.700 -0.177 0.000 2.069 15 N HA -0.170 4.580 4.740 0.018 0.000 0.191 15 N C 1.044 176.473 175.510 -0.136 0.000 1.031 15 N CA 0.768 53.733 53.050 -0.140 0.000 0.852 15 N CB -0.384 38.032 38.487 -0.119 0.000 1.018 15 N HN 0.344 nan 8.380 nan 0.000 0.423 19 S N 0.297 115.934 115.700 -0.105 0.000 2.474 19 S HA -0.030 4.451 4.470 0.018 0.000 0.235 19 S C 1.784 176.359 174.600 -0.042 0.000 0.997 19 S CA 0.571 58.736 58.200 -0.058 0.000 0.949 19 S CB -0.173 63.005 63.200 -0.036 0.000 0.766 19 S HN 0.298 nan 8.310 nan 0.000 0.517 20 R N 1.051 121.497 120.500 -0.090 0.000 2.200 20 R HA 0.206 4.557 4.340 0.018 0.000 0.208 20 R C 0.989 177.220 176.300 -0.115 0.000 1.033 20 R CA 0.699 56.750 56.100 -0.083 0.000 1.000 20 R CB -0.161 30.058 30.300 -0.136 0.000 0.906 20 R HN 0.593 nan 8.270 nan 0.000 0.462 21 V N -1.161 118.629 119.914 -0.207 0.000 2.834 21 V HA 0.540 4.671 4.120 0.018 0.000 0.313 21 V C -0.169 175.956 176.094 0.052 0.000 1.060 21 V CA -0.600 61.654 62.300 -0.077 0.000 0.989 21 V CB 2.033 33.688 31.823 -0.280 0.000 1.041 21 V HN -0.082 nan 8.190 nan 0.000 0.459 22 T N 3.936 118.577 114.554 0.145 0.000 2.841 22 T HA 0.582 4.942 4.350 0.018 0.000 0.283 22 T C -2.696 172.059 174.700 0.092 0.000 1.000 22 T CA -0.881 61.281 62.100 0.103 0.000 0.977 22 T CB 1.549 70.488 68.868 0.118 0.000 0.979 22 T HN 0.886 nan 8.240 nan 0.000 0.446 23 P HA 0.238 nan 4.420 nan 0.000 0.271 23 P C -0.324 177.006 177.300 0.051 0.000 1.218 23 P CA -0.489 62.637 63.100 0.044 0.000 0.780 23 P CB 0.791 32.504 31.700 0.021 0.000 0.901 24 L N 1.998 123.250 121.223 0.049 0.000 2.467 24 L HA 0.120 4.471 4.340 0.018 0.000 0.270 24 L C 1.774 178.662 176.870 0.030 0.000 1.205 24 L CA 0.467 55.333 54.840 0.044 0.000 0.828 24 L CB 0.234 42.318 42.059 0.042 0.000 1.101 24 L HN 0.587 nan 8.230 nan 0.000 0.479 25 T N -2.422 112.149 114.554 0.028 0.000 3.009 25 T HA 0.266 4.627 4.350 0.018 0.000 0.267 25 T C 0.522 175.233 174.700 0.018 0.000 0.942 25 T CA 0.146 62.258 62.100 0.021 0.000 0.883 25 T CB 0.354 69.235 68.868 0.021 0.000 1.192 25 T HN 0.564 nan 8.240 nan 0.000 0.524 26 A N 2.427 125.258 122.820 0.019 0.000 2.520 26 A HA 0.510 4.841 4.320 0.018 0.000 0.245 26 A C 0.258 177.850 177.584 0.013 0.000 1.072 26 A CA -0.251 51.795 52.037 0.015 0.000 0.761 26 A CB -0.002 19.008 19.000 0.016 0.000 1.004 26 A HN 0.722 nan 8.150 nan 0.000 0.499 27 Q N 1.269 121.076 119.800 0.012 0.000 2.445 27 Q HA 0.737 5.088 4.340 0.018 0.000 0.281 27 Q C -0.859 175.146 176.000 0.010 0.000 1.101 27 Q CA -0.941 54.868 55.803 0.010 0.000 0.833 27 Q CB 1.836 30.579 28.738 0.009 0.000 1.416 27 Q HN 0.833 nan 8.270 nan 0.000 0.451 28 E N -0.245 119.961 120.200 0.009 0.000 2.372 28 E HA 0.441 4.802 4.350 0.018 0.000 0.279 28 E C -1.396 175.209 176.600 0.009 0.000 0.946 28 E CA -0.872 55.534 56.400 0.009 0.000 0.769 28 E CB 1.898 31.604 29.700 0.010 0.000 1.230 28 E HN 0.443 nan 8.360 nan 0.000 0.442 29 T N 3.031 117.591 114.554 0.010 0.000 2.795 29 T HA 0.553 4.914 4.350 0.018 0.000 0.282 29 T C -0.279 174.427 174.700 0.011 0.000 0.980 29 T CA -0.466 61.640 62.100 0.010 0.000 1.012 29 T CB 0.309 69.184 68.868 0.011 0.000 0.936 29 T HN 0.329 nan 8.240 nan 0.000 0.457 30 L N 4.473 125.703 121.223 0.011 0.000 2.409 30 L HA 0.531 4.882 4.340 0.018 0.000 0.262 30 L C -2.390 174.488 176.870 0.014 0.000 0.992 30 L CA -2.763 52.084 54.840 0.013 0.000 0.817 30 L CB 2.607 44.675 42.059 0.014 0.000 1.350 30 L HN 0.353 nan 8.230 nan 0.000 0.411 31 P HA 0.095 nan 4.420 nan 0.000 0.269 31 P C 0.858 178.170 177.300 0.020 0.000 1.215 31 P CA -0.287 62.824 63.100 0.018 0.000 0.780 31 P CB 1.048 32.759 31.700 0.019 0.000 0.898 32 L N 2.209 123.445 121.223 0.021 0.000 2.043 32 L HA -0.176 4.174 4.340 0.018 0.000 0.212 32 L C 2.581 179.472 176.870 0.034 0.000 1.075 32 L CA 1.525 56.378 54.840 0.022 0.000 0.752 32 L CB -1.059 41.015 42.059 0.024 0.000 0.891 32 L HN 0.234 nan 8.230 nan 0.000 0.432 33 V N -0.280 119.656 119.914 0.037 0.000 3.026 33 V HA -0.245 3.886 4.120 0.018 0.000 0.265 33 V C 1.941 178.067 176.094 0.053 0.000 1.121 33 V CA 1.654 63.981 62.300 0.046 0.000 1.142 33 V CB -0.293 31.550 31.823 0.033 0.000 0.730 33 V HN 0.559 nan 8.190 nan 0.000 0.503 34 Q N -2.139 117.688 119.800 0.046 0.000 2.282 34 Q HA 0.122 4.472 4.340 0.018 0.000 0.206 34 Q C 1.536 177.570 176.000 0.057 0.000 0.878 34 Q CA 0.313 56.145 55.803 0.048 0.000 0.944 34 Q CB 0.389 29.146 28.738 0.033 0.000 1.100 34 Q HN 0.657 nan 8.270 nan 0.000 0.509 35 C N 0.738 120.071 119.300 0.054 0.000 2.754 35 C HA 0.201 4.671 4.460 0.018 0.000 0.276 35 C C 0.584 175.588 174.990 0.024 0.000 1.264 35 C CA -0.795 58.238 59.018 0.026 0.000 1.700 35 C CB -1.527 26.205 27.740 -0.013 0.000 1.885 35 C HN 0.373 nan 8.230 nan 0.000 0.607 36 F N 1.516 121.452 119.950 -0.023 0.000 2.571 36 F HA 0.428 4.965 4.527 0.017 0.000 0.384 36 F C 1.371 177.155 175.800 -0.026 0.000 1.058 36 F CA 1.731 59.715 58.000 -0.027 0.000 1.200 36 F CB 0.274 39.263 39.000 -0.020 0.000 1.077 36 F HN 0.450 nan 8.300 nan 0.000 0.558 37 G N 4.106 112.646 108.800 -0.434 0.000 2.199 37 G HA2 -0.254 3.717 3.960 0.018 0.000 0.254 37 G HA3 -0.254 3.717 3.960 0.018 0.000 0.254 37 G C 0.577 175.411 174.900 -0.110 0.000 0.982 37 G CA -0.185 44.797 45.100 -0.197 0.000 0.632 37 G HN 0.615 nan 8.290 nan 0.000 0.529 38 R N 0.122 120.563 120.500 -0.100 0.000 2.560 38 R HA 0.509 4.860 4.340 0.018 0.000 0.270 38 R C 0.573 176.820 176.300 -0.088 0.000 1.074 38 R CA -0.556 55.505 56.100 -0.064 0.000 1.140 38 R CB 0.414 30.691 30.300 -0.038 0.000 1.073 38 R HN 0.216 nan 8.270 nan 0.000 0.527 39 I N 2.766 123.301 120.570 -0.059 0.000 2.315 39 I HA 0.189 4.369 4.170 0.018 0.000 0.291 39 I C 0.871 176.961 176.117 -0.046 0.000 1.006 39 I CA -0.757 60.508 61.300 -0.058 0.000 1.265 39 I CB 0.565 38.542 38.000 -0.038 0.000 1.387 39 I HN 0.336 nan 8.210 nan 0.000 0.475 40 L N 5.341 126.532 121.223 -0.055 0.000 2.559 40 L HA -0.015 4.335 4.340 0.018 0.000 0.274 40 L C 1.362 178.226 176.870 -0.011 0.000 1.205 40 L CA 0.103 54.924 54.840 -0.032 0.000 0.907 40 L CB 1.209 43.252 42.059 -0.027 0.000 1.153 40 L HN 0.823 nan 8.230 nan 0.000 0.490 41 A N 3.312 126.131 122.820 -0.002 0.000 2.081 41 A HA 0.142 4.473 4.320 0.018 0.000 0.214 41 A C 0.833 178.423 177.584 0.011 0.000 1.158 41 A CA 0.408 52.447 52.037 0.004 0.000 0.724 41 A CB 0.168 19.171 19.000 0.005 0.000 0.826 41 A HN 0.653 nan 8.150 nan 0.000 0.463 42 S N -0.203 115.507 115.700 0.016 0.000 2.588 42 S HA 0.423 4.903 4.470 0.018 0.000 0.275 42 S C -1.703 172.917 174.600 0.033 0.000 1.130 42 S CA -0.882 57.331 58.200 0.022 0.000 0.855 42 S CB 1.286 64.498 63.200 0.019 0.000 1.116 42 S HN 0.292 nan 8.310 nan 0.000 0.472 43 D N 1.558 121.978 120.400 0.033 0.000 2.455 43 D HA 0.203 4.854 4.640 0.018 0.000 0.241 43 D C -0.490 175.838 176.300 0.047 0.000 1.138 43 D CA 0.334 54.359 54.000 0.043 0.000 0.877 43 D CB 0.528 41.344 40.800 0.027 0.000 1.187 43 D HN 0.102 nan 8.370 nan 0.000 0.451 44 V N 3.665 123.622 119.914 0.072 0.000 2.364 44 V HA 0.189 4.320 4.120 0.018 0.000 0.272 44 V C 0.126 176.238 176.094 0.030 0.000 1.036 44 V CA -0.573 61.769 62.300 0.070 0.000 0.880 44 V CB 1.554 33.460 31.823 0.138 0.000 0.991 44 V HN 0.224 nan 8.190 nan 0.000 0.460 45 V N 4.551 124.475 119.914 0.017 0.000 2.370 45 V HA 0.327 4.457 4.120 0.018 0.000 0.283 45 V C 0.495 176.587 176.094 -0.004 0.000 1.023 45 V CA -0.344 61.955 62.300 -0.003 0.000 0.857 45 V CB 1.904 33.727 31.823 -0.000 0.000 0.985 45 V HN 0.850 nan 8.190 nan 0.000 0.443 46 S N 6.913 122.601 115.700 -0.019 0.000 2.516 46 S HA 0.241 4.722 4.470 0.018 0.000 0.282 46 S C -1.105 173.490 174.600 -0.009 0.000 1.286 46 S CA -0.728 57.462 58.200 -0.017 0.000 1.066 46 S CB 0.826 64.004 63.200 -0.035 0.000 0.884 46 S HN 0.739 nan 8.310 nan 0.000 0.491 47 P HA 0.278 nan 4.420 nan 0.000 0.267 47 P C -0.444 176.859 177.300 0.005 0.000 1.289 47 P CA 0.117 63.219 63.100 0.004 0.000 0.866 47 P CB 0.298 32.004 31.700 0.009 0.000 1.309 48 L N -0.635 120.588 121.223 0.001 0.000 2.283 48 L HA 0.513 4.864 4.340 0.018 0.000 0.259 48 L C -0.128 176.736 176.870 -0.010 0.000 1.027 48 L CA -0.945 53.896 54.840 0.002 0.000 0.828 48 L CB 1.555 43.617 42.059 0.005 0.000 1.380 48 L HN -0.352 nan 8.230 nan 0.000 0.425 49 D N 0.564 120.958 120.400 -0.010 0.000 2.177 49 D HA 0.511 5.162 4.640 0.018 0.000 0.247 49 D C -1.039 175.234 176.300 -0.047 0.000 1.063 49 D CA 0.004 53.990 54.000 -0.023 0.000 0.867 49 D CB 2.260 43.053 40.800 -0.011 0.000 1.168 49 D HN 0.021 nan 8.370 nan 0.000 0.445 50 V N 4.522 124.400 119.914 -0.060 0.000 2.482 50 V HA 0.299 4.429 4.120 0.018 0.000 0.295 50 V C -2.242 173.795 176.094 -0.096 0.000 1.026 50 V CA -1.699 60.549 62.300 -0.087 0.000 0.856 50 V CB 2.061 33.845 31.823 -0.066 0.000 1.001 50 V HN 0.378 nan 8.190 nan 0.000 0.424 51 P HA 0.191 nan 4.420 nan 0.000 0.273 51 P C 0.928 178.077 177.300 -0.251 0.000 1.250 51 P CA -0.003 62.940 63.100 -0.263 0.000 0.793 51 P CB 0.767 32.254 31.700 -0.354 0.000 1.011 52 G N -0.389 108.194 108.800 -0.361 0.000 2.985 52 G HA2 0.318 4.288 3.960 0.018 0.000 0.209 52 G HA3 0.318 4.288 3.960 0.018 0.000 0.209 52 G C -0.448 174.474 174.900 0.037 0.000 1.165 52 G CA 0.132 45.160 45.100 -0.120 0.000 0.776 52 G HN 0.534 nan 8.290 nan 0.000 0.541 53 F N -2.462 117.501 119.950 0.021 0.000 2.769 53 F HA 0.437 4.974 4.527 0.017 0.000 0.313 53 F C -1.800 174.014 175.800 0.023 0.000 1.146 53 F CA -2.437 55.578 58.000 0.025 0.000 0.934 53 F CB 0.243 39.262 39.000 0.032 0.000 1.283 53 F HN -0.270 nan 8.300 nan 0.000 0.443 54 D N 2.862 123.442 120.400 0.301 0.000 2.417 54 D HA 0.248 4.898 4.640 0.018 0.000 0.250 54 D C -0.373 176.110 176.300 0.306 0.000 1.166 54 D CA 0.530 54.650 54.000 0.201 0.000 0.881 54 D CB 0.444 41.329 40.800 0.143 0.000 1.164 54 D HN 0.742 nan 8.370 nan 0.000 0.467 55 N N -0.324 118.499 118.700 0.205 0.000 2.647 55 N HA 0.245 4.995 4.740 0.018 0.000 0.266 55 N C -1.026 174.546 175.510 0.103 0.000 1.373 55 N CA -0.757 52.421 53.050 0.213 0.000 0.807 55 N CB 1.533 40.204 38.487 0.308 0.000 1.513 55 N HN 0.166 nan 8.380 nan 0.000 0.505 56 S N -0.612 115.135 115.700 0.078 0.000 2.565 56 S HA 0.610 5.090 4.470 0.018 0.000 0.274 56 S C 0.025 174.645 174.600 0.032 0.000 1.309 56 S CA -0.374 57.849 58.200 0.040 0.000 1.043 56 S CB 0.122 63.327 63.200 0.007 0.000 0.939 56 S HN 0.765 nan 8.310 nan 0.000 0.504 60 G N 0.383 109.056 108.800 -0.212 0.000 2.623 60 G HA2 0.383 4.353 3.960 0.018 0.000 0.085 60 G HA3 0.383 4.353 3.960 0.018 0.000 0.085 60 G C -1.783 172.813 174.900 -0.506 0.000 1.116 60 G CA -0.425 44.526 45.100 -0.248 0.000 1.200 60 G HN 0.195 nan 8.290 nan 0.000 0.556 61 Y N 0.415 120.743 120.300 0.047 0.000 2.492 61 Y HA 0.749 5.319 4.550 0.033 0.000 0.346 61 Y C 0.356 176.299 175.900 0.071 0.000 0.997 61 Y CA -0.528 57.612 58.100 0.065 0.000 1.025 61 Y CB 2.299 40.885 38.460 0.210 0.000 1.263 61 Y HN 0.766 nan 8.280 nan 0.000 0.454 62 A N 2.491 125.390 122.820 0.132 0.000 2.309 62 A HA 0.856 5.186 4.320 0.018 0.000 0.298 62 A C -0.365 177.355 177.584 0.227 0.000 1.165 62 A CA -0.350 51.743 52.037 0.094 0.000 0.821 62 A CB 0.291 19.245 19.000 -0.076 0.000 1.102 62 A HN 0.967 nan 8.150 nan 0.000 0.500 63 V N 0.186 120.264 119.914 0.272 0.000 3.165 63 V HA 0.774 4.905 4.120 0.018 0.000 0.309 63 V C -0.609 175.591 176.094 0.176 0.000 1.267 63 V CA -1.328 61.137 62.300 0.274 0.000 1.067 63 V CB 1.621 33.380 31.823 -0.107 0.000 1.082 63 V HN 0.916 nan 8.190 nan 0.000 0.451 64 R N 0.029 120.520 120.500 -0.015 0.000 2.711 64 R HA 0.635 4.986 4.340 0.018 0.000 0.284 64 R C 0.596 176.824 176.300 -0.120 0.000 0.968 64 R CA -0.805 55.221 56.100 -0.123 0.000 0.924 64 R CB 2.158 32.294 30.300 -0.272 0.000 1.162 64 R HN 0.728 nan 8.270 nan 0.000 0.465 65 L N 1.375 122.540 121.223 -0.096 0.000 2.083 65 L HA -0.174 4.177 4.340 0.018 0.000 0.209 65 L C 2.387 179.202 176.870 -0.093 0.000 1.083 65 L CA 1.664 56.451 54.840 -0.087 0.000 0.752 65 L CB -0.425 41.599 42.059 -0.060 0.000 0.899 65 L HN 0.826 nan 8.230 nan 0.000 0.433 66 A N -0.263 122.498 122.820 -0.098 0.000 1.933 66 A HA -0.208 4.123 4.320 0.018 0.000 0.218 66 A C 1.948 179.477 177.584 -0.092 0.000 1.175 66 A CA 1.785 53.769 52.037 -0.089 0.000 0.628 66 A CB -0.396 18.547 19.000 -0.094 0.000 0.814 66 A HN 0.356 nan 8.150 nan 0.000 0.444 67 D N 0.127 120.458 120.400 -0.115 0.000 2.117 67 D HA -0.104 4.546 4.640 0.018 0.000 0.198 67 D C 1.930 178.167 176.300 -0.106 0.000 0.982 67 D CA 0.946 54.883 54.000 -0.104 0.000 0.828 67 D CB -0.238 40.495 40.800 -0.112 0.000 0.967 67 D HN 0.330 nan 8.370 nan 0.000 0.464 68 I N 1.552 122.032 120.570 -0.151 0.000 2.226 68 I HA -0.201 3.980 4.170 0.018 0.000 0.245 68 I C 2.520 178.594 176.117 -0.073 0.000 1.100 68 I CA 0.631 61.839 61.300 -0.155 0.000 1.374 68 I CB -1.231 36.657 38.000 -0.187 0.000 1.057 68 I HN -0.126 nan 8.210 nan 0.000 0.413 69 A N 1.089 123.871 122.820 -0.063 0.000 2.024 69 A HA -0.205 4.125 4.320 0.018 0.000 0.220 69 A C 2.502 180.070 177.584 -0.027 0.000 1.164 69 A CA 2.050 54.063 52.037 -0.039 0.000 0.643 69 A CB -0.728 18.248 19.000 -0.040 0.000 0.806 69 A HN 0.585 nan 8.150 nan 0.000 0.451 70 S N -1.587 114.095 115.700 -0.029 0.000 2.423 70 S HA 0.217 4.698 4.470 0.018 0.000 0.231 70 S C 1.780 176.378 174.600 -0.003 0.000 1.014 70 S CA 1.427 59.617 58.200 -0.017 0.000 0.965 70 S CB -0.698 62.491 63.200 -0.018 0.000 0.785 70 S HN 1.956 nan 8.310 nan 0.000 0.495 71 G N 0.163 108.966 108.800 0.004 0.000 2.212 71 G HA2 -0.248 3.722 3.960 0.018 0.000 0.266 71 G HA3 -0.248 3.722 3.960 0.018 0.000 0.266 71 G C 0.048 174.968 174.900 0.034 0.000 0.978 71 G CA 0.420 45.533 45.100 0.022 0.000 0.632 71 G HN 0.581 nan 8.290 nan 0.000 0.537 72 Q N 1.172 120.990 119.800 0.029 0.000 2.306 72 Q HA 0.411 4.761 4.340 0.018 0.000 0.241 72 Q C -1.960 174.075 176.000 0.059 0.000 0.948 72 Q CA -1.533 54.290 55.803 0.033 0.000 0.886 72 Q CB 1.081 29.832 28.738 0.022 0.000 1.227 72 Q HN 0.356 nan 8.270 nan 0.000 0.457 73 P HA 0.136 nan 4.420 nan 0.000 0.272 73 P C -0.724 176.622 177.300 0.076 0.000 1.223 73 P CA 0.064 63.200 63.100 0.060 0.000 0.784 73 P CB 0.601 32.307 31.700 0.011 0.000 0.923 74 L N 3.641 124.936 121.223 0.120 0.000 2.319 74 L HA 0.419 4.770 4.340 0.018 0.000 0.281 74 L C -2.035 174.888 176.870 0.088 0.000 1.005 74 L CA -2.439 52.476 54.840 0.125 0.000 0.828 74 L CB 1.913 44.091 42.059 0.197 0.000 1.227 74 L HN 0.199 nan 8.230 nan 0.000 0.415 75 P HA 0.082 nan 4.420 nan 0.000 0.274 75 P C -0.397 176.944 177.300 0.069 0.000 1.237 75 P CA -0.311 62.818 63.100 0.049 0.000 0.793 75 P CB 1.428 33.155 31.700 0.045 0.000 0.977 76 V N 1.950 121.894 119.914 0.050 0.000 2.470 76 V HA 0.162 4.292 4.120 0.018 0.000 0.276 76 V C 1.653 177.748 176.094 0.001 0.000 1.040 76 V CA 0.630 62.952 62.300 0.037 0.000 1.008 76 V CB 0.027 31.871 31.823 0.035 0.000 0.990 76 V HN 0.750 nan 8.190 nan 0.000 0.477 77 A N 3.922 126.722 122.820 -0.033 0.000 2.044 77 A HA 0.660 4.990 4.320 0.018 0.000 0.213 77 A C 1.063 178.546 177.584 -0.169 0.000 1.169 77 A CA 0.885 52.908 52.037 -0.023 0.000 0.724 77 A CB 0.128 19.184 19.000 0.094 0.000 0.840 77 A HN 1.119 nan 8.150 nan 0.000 0.463 78 G N -1.296 107.234 108.800 -0.451 0.000 2.488 78 G HA2 0.491 4.461 3.960 0.018 0.000 0.301 78 G HA3 0.491 4.461 3.960 0.018 0.000 0.301 78 G C -1.543 172.879 174.900 -0.797 0.000 1.339 78 G CA -0.299 44.329 45.100 -0.786 0.000 0.803 78 G HN 0.276 nan 8.290 nan 0.000 0.482 79 K N -0.746 119.200 120.400 -0.756 0.000 2.508 79 K HA 0.685 5.015 4.320 0.018 0.000 0.260 79 K C -1.428 174.832 176.600 -0.567 0.000 0.949 79 K CA -0.604 55.290 56.287 -0.655 0.000 0.834 79 K CB 2.225 34.336 32.500 -0.648 0.000 1.365 79 K HN 0.621 nan 8.250 nan 0.000 0.437 80 S N 2.972 118.300 115.700 -0.620 0.000 2.552 80 S HA 0.624 5.105 4.470 0.018 0.000 0.314 80 S C -1.321 173.000 174.600 -0.466 0.000 1.099 80 S CA -0.669 57.306 58.200 -0.375 0.000 1.070 80 S CB 0.151 63.204 63.200 -0.245 0.000 0.998 80 S HN 0.405 nan 8.310 nan 0.000 0.474 81 F N 2.194 122.098 119.950 -0.077 0.000 2.497 81 F HA 0.706 5.245 4.527 0.020 0.000 0.331 81 F C 0.820 176.595 175.800 -0.042 0.000 1.060 81 F CA -1.161 56.804 58.000 -0.058 0.000 0.989 81 F CB 0.925 39.899 39.000 -0.043 0.000 1.245 81 F HN 0.632 nan 8.300 nan 0.000 0.486 82 A N 0.827 123.756 122.820 0.182 0.000 2.515 82 A HA 0.428 4.759 4.320 0.018 0.000 0.263 82 A C 1.114 178.759 177.584 0.102 0.000 1.096 82 A CA 0.521 52.627 52.037 0.116 0.000 0.769 82 A CB -1.288 17.772 19.000 0.100 0.000 1.040 82 A HN 1.613 nan 8.150 nan 0.000 0.505 83 G N 1.843 110.687 108.800 0.072 0.000 2.148 83 G HA2 -0.244 3.727 3.960 0.018 0.000 0.254 83 G HA3 -0.244 3.727 3.960 0.018 0.000 0.254 83 G C 0.101 175.025 174.900 0.041 0.000 0.981 83 G CA 0.660 45.789 45.100 0.048 0.000 0.670 83 G HN 0.986 nan 8.290 nan 0.000 0.528 84 Q N 0.073 119.919 119.800 0.076 0.000 3.007 84 Q HA 0.209 4.560 4.340 0.018 0.000 0.321 84 Q C -2.646 173.429 176.000 0.125 0.000 0.784 84 Q CA -1.488 54.382 55.803 0.110 0.000 0.990 84 Q CB 2.304 31.121 28.738 0.130 0.000 1.493 84 Q HN 0.438 nan 8.270 nan 0.000 0.382 85 P HA -0.119 nan 4.420 nan 0.000 0.270 85 P C -0.913 176.238 177.300 -0.249 0.000 1.223 85 P CA -0.066 62.929 63.100 -0.176 0.000 0.785 85 P CB 0.734 32.249 31.700 -0.308 0.000 0.923 86 Y N 1.633 121.683 120.300 -0.418 0.000 2.313 86 Y HA 0.198 4.760 4.550 0.020 0.000 0.332 86 Y C 1.005 176.617 175.900 -0.480 0.000 1.071 86 Y CA 0.139 58.027 58.100 -0.353 0.000 1.169 86 Y CB 0.437 38.727 38.460 -0.283 0.000 1.192 86 Y HN 0.395 nan 8.280 nan 0.000 0.487 87 H N 3.670 122.411 119.070 -0.550 0.000 2.767 87 H HA 0.279 4.846 4.556 0.018 0.000 0.260 87 H C 0.710 175.678 175.328 -0.601 0.000 1.172 87 H CA 0.265 56.056 56.048 -0.429 0.000 1.048 87 H CB 0.400 30.036 29.762 -0.211 0.000 1.697 87 H HN 0.815 nan 8.280 nan 0.000 0.606 88 G N 0.197 108.233 108.800 -1.273 0.000 2.510 88 G HA2 0.176 4.147 3.960 0.018 0.000 0.280 88 G HA3 0.176 4.147 3.960 0.018 0.000 0.280 88 G C 0.156 174.864 174.900 -0.320 0.000 1.386 88 G CA -0.409 44.224 45.100 -0.778 0.000 1.047 88 G HN 0.012 nan 8.290 nan 0.000 0.527 89 E N -0.894 119.341 120.200 0.058 0.000 2.354 89 E HA 0.121 4.482 4.350 0.018 0.000 0.269 89 E C -1.152 175.708 176.600 0.433 0.000 1.036 89 E CA -0.222 56.305 56.400 0.213 0.000 0.876 89 E CB 1.716 31.518 29.700 0.170 0.000 1.009 89 E HN 0.403 nan 8.360 nan 0.000 0.416 90 W N 6.170 127.566 121.300 0.159 0.000 2.237 90 W HA 0.279 4.946 4.660 0.012 0.000 0.289 90 W C -2.418 174.148 176.519 0.080 0.000 0.988 90 W CA -2.664 54.770 57.345 0.148 0.000 1.671 90 W CB 0.225 29.777 29.460 0.153 0.000 1.746 90 W HN 0.308 nan 8.180 nan 0.000 0.380 91 P HA 0.343 nan 4.420 nan 0.000 0.274 91 P C -0.037 177.269 177.300 0.011 0.000 1.237 91 P CA -0.181 62.979 63.100 0.099 0.000 0.793 91 P CB 1.042 32.807 31.700 0.108 0.000 0.977 92 A N 0.890 123.681 122.820 -0.047 0.000 2.520 92 A HA 0.391 4.721 4.320 0.018 0.000 0.235 92 A C 1.433 179.003 177.584 -0.023 0.000 1.065 92 A CA 0.726 52.713 52.037 -0.082 0.000 0.764 92 A CB -1.358 17.601 19.000 -0.068 0.000 1.002 92 A HN 1.016 nan 8.150 nan 0.000 0.502 93 G N 0.800 109.583 108.800 -0.028 0.000 2.143 93 G HA2 -0.073 3.898 3.960 0.018 0.000 0.249 93 G HA3 -0.073 3.898 3.960 0.018 0.000 0.249 93 G C 0.424 175.366 174.900 0.071 0.000 0.981 93 G CA 1.262 46.371 45.100 0.015 0.000 0.665 93 G HN 2.432 nan 8.290 nan 0.000 0.528 94 T N -2.700 111.930 114.554 0.127 0.000 2.887 94 T HA 0.761 5.122 4.350 0.018 0.000 0.292 94 T C 0.310 175.243 174.700 0.388 0.000 1.087 94 T CA -0.105 62.129 62.100 0.224 0.000 1.009 94 T CB 2.595 71.615 68.868 0.253 0.000 1.203 94 T HN 1.687 nan 8.240 nan 0.000 0.518 95 C N 0.799 120.296 119.300 0.328 0.000 2.971 95 C HA 0.903 5.373 4.460 0.018 0.000 0.310 95 C C -0.975 174.053 174.990 0.064 0.000 1.285 95 C CA -1.073 58.150 59.018 0.340 0.000 1.593 95 C CB 0.545 28.478 27.740 0.320 0.000 2.076 95 C HN 0.889 nan 8.230 nan 0.000 0.472 96 I N 2.052 122.530 120.570 -0.153 0.000 2.433 96 I HA 0.480 4.660 4.170 0.018 0.000 0.292 96 I C 0.199 176.175 176.117 -0.234 0.000 1.001 96 I CA -0.230 60.818 61.300 -0.421 0.000 1.119 96 I CB 1.505 38.974 38.000 -0.886 0.000 1.289 96 I HN 0.885 nan 8.210 nan 0.000 0.438 97 R N 5.820 126.141 120.500 -0.299 0.000 2.491 97 R HA 0.593 4.944 4.340 0.018 0.000 0.283 97 R C -1.009 175.011 176.300 -0.467 0.000 1.072 97 R CA 0.343 56.201 56.100 -0.403 0.000 1.048 97 R CB 0.605 30.669 30.300 -0.393 0.000 0.983 97 R HN 0.741 nan 8.270 nan 0.000 0.450 101 G N 1.744 110.572 108.800 0.046 0.000 2.234 101 G HA2 -0.023 3.947 3.960 0.018 0.000 0.260 101 G HA3 -0.023 3.947 3.960 0.018 0.000 0.260 101 G C 0.434 175.426 174.900 0.153 0.000 0.987 101 G CA 0.219 45.373 45.100 0.090 0.000 0.625 101 G HN 1.521 nan 8.290 nan 0.000 0.532 102 A N 1.622 124.495 122.820 0.088 0.000 2.371 102 A HA 0.684 5.014 4.320 0.018 0.000 0.257 102 A C -1.329 176.301 177.584 0.077 0.000 1.089 102 A CA -0.537 51.536 52.037 0.061 0.000 0.794 102 A CB 0.543 19.527 19.000 -0.027 0.000 1.029 102 A HN 0.288 nan 8.150 nan 0.000 0.488 103 P HA 0.279 nan 4.420 nan 0.000 0.278 103 P C -0.068 177.211 177.300 -0.035 0.000 1.238 103 P CA -0.139 62.955 63.100 -0.009 0.000 0.794 103 P CB 0.972 32.462 31.700 -0.350 0.000 0.955 104 V N 0.229 120.159 119.914 0.026 0.000 2.637 104 V HA 0.316 4.447 4.120 0.018 0.000 0.296 104 V C -2.284 173.811 176.094 0.001 0.000 1.046 104 V CA -1.781 60.524 62.300 0.009 0.000 1.066 104 V CB -0.710 31.152 31.823 0.066 0.000 0.968 104 V HN 0.421 nan 8.190 nan 0.000 0.483 105 P HA 0.204 nan 4.420 nan 0.000 0.272 105 P C -0.420 176.996 177.300 0.194 0.000 1.230 105 P CA -0.270 62.834 63.100 0.007 0.000 0.788 105 P CB 0.341 31.911 31.700 -0.216 0.000 0.949 106 E N 1.090 121.426 120.200 0.225 0.000 2.493 106 E HA 0.242 4.602 4.350 0.018 0.000 0.255 106 E C 1.214 178.015 176.600 0.335 0.000 0.999 106 E CA 1.550 58.091 56.400 0.236 0.000 0.934 106 E CB -0.995 28.816 29.700 0.185 0.000 0.940 106 E HN 0.694 nan 8.360 nan 0.000 0.473 107 G N 3.247 112.180 108.800 0.222 0.000 2.175 107 G HA2 -0.312 3.659 3.960 0.018 0.000 0.244 107 G HA3 -0.312 3.659 3.960 0.018 0.000 0.244 107 G C 0.552 175.554 174.900 0.169 0.000 0.982 107 G CA -0.145 45.037 45.100 0.135 0.000 0.641 107 G HN 0.840 nan 8.290 nan 0.000 0.527 108 C N 0.822 120.343 119.300 0.370 0.000 2.634 108 C HA 0.522 4.993 4.460 0.018 0.000 0.417 108 C C 1.708 176.801 174.990 0.172 0.000 1.334 108 C CA 1.083 60.329 59.018 0.381 0.000 1.829 108 C CB 0.196 28.121 27.740 0.308 0.000 2.665 108 C HN 0.583 nan 8.230 nan 0.000 0.614 109 E N 2.306 122.585 120.200 0.131 0.000 2.474 109 E HA 0.346 4.706 4.350 0.018 0.000 0.215 109 E C 0.166 176.800 176.600 0.057 0.000 0.867 109 E CA 0.339 56.776 56.400 0.062 0.000 1.135 109 E CB 0.720 30.427 29.700 0.012 0.000 1.147 109 E HN 0.795 nan 8.360 nan 0.000 0.534 110 A N 0.637 123.503 122.820 0.077 0.000 2.612 110 A HA 0.592 4.922 4.320 0.018 0.000 0.293 110 A C -1.527 176.106 177.584 0.081 0.000 1.075 110 A CA -0.523 51.550 52.037 0.060 0.000 0.680 110 A CB 1.740 20.755 19.000 0.025 0.000 1.279 110 A HN -0.039 nan 8.150 nan 0.000 0.411 111 V N 1.140 121.100 119.914 0.077 0.000 2.531 111 V HA 0.588 4.719 4.120 0.018 0.000 0.301 111 V C -0.198 175.968 176.094 0.119 0.000 1.034 111 V CA -0.388 61.969 62.300 0.096 0.000 0.865 111 V CB 1.414 33.278 31.823 0.067 0.000 0.995 111 V HN 0.831 nan 8.190 nan 0.000 0.424 115 E N 1.186 121.410 120.200 0.040 0.000 2.409 115 E HA -0.140 4.221 4.350 0.018 0.000 0.198 115 E C 0.225 176.832 176.600 0.011 0.000 1.024 115 E CA 0.772 57.184 56.400 0.019 0.000 0.861 115 E CB 0.053 29.764 29.700 0.018 0.000 0.788 115 E HN 0.577 nan 8.360 nan 0.000 0.521 116 Q N 0.922 120.736 119.800 0.024 0.000 2.286 116 Q HA 0.220 4.571 4.340 0.018 0.000 0.281 116 Q C -0.489 175.484 176.000 -0.045 0.000 0.897 116 Q CA 0.060 55.875 55.803 0.021 0.000 1.023 116 Q CB 0.778 29.559 28.738 0.072 0.000 1.151 116 Q HN -0.017 nan 8.270 nan 0.000 0.445 117 T N 0.328 114.819 114.554 -0.105 0.000 2.900 117 T HA 0.351 4.711 4.350 0.018 0.000 0.303 117 T C -1.365 173.221 174.700 -0.190 0.000 1.142 117 T CA -0.582 61.358 62.100 -0.266 0.000 1.007 117 T CB 2.647 71.300 68.868 -0.358 0.000 1.156 117 T HN 0.104 nan 8.240 nan 0.000 0.490 118 E N 1.639 121.697 120.200 -0.236 0.000 2.263 118 E HA 0.402 4.762 4.350 0.018 0.000 0.268 118 E C -0.967 175.533 176.600 -0.167 0.000 0.884 118 E CA -0.587 55.724 56.400 -0.148 0.000 0.766 118 E CB 2.050 31.687 29.700 -0.104 0.000 1.196 118 E HN 0.483 nan 8.360 nan 0.000 0.416 122 N N 0.708 119.403 118.700 -0.008 0.000 2.282 122 N HA 0.439 5.189 4.740 0.018 0.000 0.240 122 N C 0.740 176.250 175.510 0.000 0.000 1.182 122 N CA -0.013 53.036 53.050 -0.001 0.000 0.874 122 N CB 1.938 40.427 38.487 0.003 0.000 1.126 122 N HN 0.144 nan 8.380 nan 0.000 0.516 123 G N -0.142 108.650 108.800 -0.014 0.000 2.369 123 G HA2 0.053 4.024 3.960 0.018 0.000 0.307 123 G HA3 0.053 4.024 3.960 0.018 0.000 0.307 123 G C -1.718 173.139 174.900 -0.072 0.000 1.327 123 G CA -0.854 44.234 45.100 -0.020 0.000 0.963 123 G HN 0.017 nan 8.290 nan 0.000 0.590 124 V N 0.842 120.684 119.914 -0.121 0.000 2.465 124 V HA 0.647 4.778 4.120 0.018 0.000 0.279 124 V C 0.804 176.708 176.094 -0.316 0.000 1.045 124 V CA -0.355 61.758 62.300 -0.311 0.000 0.938 124 V CB 1.395 32.861 31.823 -0.596 0.000 0.986 124 V HN 0.797 nan 8.190 nan 0.000 0.467 125 R N 3.651 123.933 120.500 -0.363 0.000 2.393 125 R HA 0.512 4.863 4.340 0.018 0.000 0.310 125 R C -1.500 174.552 176.300 -0.413 0.000 0.968 125 R CA -0.545 55.421 56.100 -0.224 0.000 0.867 125 R CB 0.880 31.114 30.300 -0.109 0.000 1.124 125 R HN 0.521 nan 8.270 nan 0.000 0.450 126 F N 2.388 122.291 119.950 -0.079 0.000 2.405 126 F HA 0.188 4.707 4.527 -0.013 0.000 0.355 126 F C 1.538 177.319 175.800 -0.033 0.000 1.121 126 F CA -0.504 57.461 58.000 -0.059 0.000 1.112 126 F CB 2.061 41.031 39.000 -0.049 0.000 1.126 126 F HN 0.588 nan 8.300 nan 0.000 0.481 127 T N -0.568 114.026 114.554 0.067 0.000 3.081 127 T HA 0.574 4.934 4.350 0.018 0.000 0.250 127 T C 0.538 175.274 174.700 0.059 0.000 1.100 127 T CA 0.269 62.396 62.100 0.045 0.000 1.038 127 T CB -0.006 68.864 68.868 0.004 0.000 0.962 127 T HN 0.523 nan 8.240 nan 0.000 0.516 128 A N 1.675 124.549 122.820 0.089 0.000 2.387 128 A HA 0.697 5.027 4.320 0.018 0.000 0.303 128 A C -0.425 177.201 177.584 0.070 0.000 1.145 128 A CA -1.188 50.890 52.037 0.069 0.000 0.801 128 A CB 1.111 20.149 19.000 0.064 0.000 1.342 128 A HN 0.565 nan 8.150 nan 0.000 0.440 129 E N -0.085 120.143 120.200 0.047 0.000 2.373 129 E HA 0.441 4.801 4.350 0.018 0.000 0.267 129 E C -0.979 175.642 176.600 0.035 0.000 1.032 129 E CA -0.421 55.999 56.400 0.033 0.000 0.889 129 E CB 0.845 30.559 29.700 0.022 0.000 0.984 129 E HN 0.201 nan 8.360 nan 0.000 0.425 130 V N 3.578 123.502 119.914 0.018 0.000 2.409 130 V HA 0.344 4.475 4.120 0.018 0.000 0.291 130 V C 0.018 176.113 176.094 0.002 0.000 1.020 130 V CA -0.760 61.546 62.300 0.010 0.000 0.848 130 V CB 1.099 32.907 31.823 -0.024 0.000 0.990 130 V HN 0.636 nan 8.190 nan 0.000 0.430 131 R N 2.227 122.734 120.500 0.011 0.000 2.474 131 R HA 0.479 4.829 4.340 0.018 0.000 0.295 131 R C 0.274 176.579 176.300 0.008 0.000 0.980 131 R CA -0.425 55.680 56.100 0.008 0.000 0.934 131 R CB 1.699 32.006 30.300 0.012 0.000 1.101 131 R HN 0.704 nan 8.270 nan 0.000 0.469 132 S N 0.913 116.615 115.700 0.004 0.000 2.544 132 S HA 0.167 4.647 4.470 0.018 0.000 0.290 132 S C 1.266 175.875 174.600 0.015 0.000 1.276 132 S CA 1.271 59.474 58.200 0.006 0.000 1.075 132 S CB 0.140 63.341 63.200 0.002 0.000 0.849 132 S HN 0.854 nan 8.310 nan 0.000 0.494 133 G N 3.363 112.176 108.800 0.022 0.000 2.199 133 G HA2 -0.280 3.690 3.960 0.018 0.000 0.254 133 G HA3 -0.280 3.690 3.960 0.018 0.000 0.254 133 G C 0.006 174.924 174.900 0.030 0.000 0.982 133 G CA 0.364 45.481 45.100 0.028 0.000 0.632 133 G HN 1.168 nan 8.290 nan 0.000 0.529 134 Q N 0.275 120.093 119.800 0.030 0.000 2.286 134 Q HA 0.416 4.766 4.340 0.018 0.000 0.290 134 Q C 0.731 176.755 176.000 0.040 0.000 1.049 134 Q CA 0.429 56.252 55.803 0.033 0.000 0.923 134 Q CB 0.243 29.001 28.738 0.034 0.000 1.183 134 Q HN 0.355 nan 8.270 nan 0.000 0.383 135 N N 1.243 119.964 118.700 0.036 0.000 2.741 135 N HA -0.170 4.580 4.740 0.018 0.000 0.250 135 N C -1.222 174.311 175.510 0.038 0.000 1.115 135 N CA 1.090 54.161 53.050 0.036 0.000 0.724 135 N CB -1.313 37.201 38.487 0.044 0.000 1.090 135 N HN 0.685 nan 8.380 nan 0.000 0.558 136 I N 1.037 121.629 120.570 0.037 0.000 2.410 136 I HA 0.241 4.422 4.170 0.018 0.000 0.286 136 I C 0.478 176.614 176.117 0.033 0.000 1.009 136 I CA -0.557 60.768 61.300 0.042 0.000 1.111 136 I CB 1.552 39.583 38.000 0.051 0.000 1.262 136 I HN -0.221 nan 8.210 nan 0.000 0.443 137 R N 6.199 126.717 120.500 0.030 0.000 2.308 137 R HA 0.451 4.802 4.340 0.018 0.000 0.305 137 R C -0.444 175.865 176.300 0.014 0.000 1.053 137 R CA -0.748 55.359 56.100 0.011 0.000 0.957 137 R CB 1.057 31.354 30.300 -0.005 0.000 1.022 137 R HN 0.464 nan 8.270 nan 0.000 0.461 138 R N 2.432 122.935 120.500 0.005 0.000 2.457 138 R HA 0.201 4.552 4.340 0.018 0.000 0.284 138 R C 0.169 176.461 176.300 -0.013 0.000 1.024 138 R CA -0.880 55.226 56.100 0.011 0.000 1.025 138 R CB 1.091 31.400 30.300 0.014 0.000 1.063 138 R HN 0.520 nan 8.270 nan 0.000 0.493 139 R N 0.538 121.039 120.500 0.001 0.000 2.502 139 R HA 0.024 4.375 4.340 0.018 0.000 0.292 139 R C 0.660 176.946 176.300 -0.022 0.000 0.998 139 R CA 1.557 57.645 56.100 -0.019 0.000 1.056 139 R CB -0.079 30.238 30.300 0.029 0.000 0.939 139 R HN 0.922 nan 8.270 nan 0.000 0.411 140 G N 3.388 112.162 108.800 -0.043 0.000 2.199 140 G HA2 -0.387 3.584 3.960 0.018 0.000 0.254 140 G HA3 -0.387 3.584 3.960 0.018 0.000 0.254 140 G C 0.637 175.517 174.900 -0.034 0.000 0.982 140 G CA 0.562 45.641 45.100 -0.035 0.000 0.632 140 G HN 0.858 nan 8.290 nan 0.000 0.529 141 E N -0.026 120.155 120.200 -0.033 0.000 2.331 141 E HA -0.092 4.269 4.350 0.018 0.000 0.199 141 E C 1.311 177.892 176.600 -0.032 0.000 1.008 141 E CA 1.429 57.812 56.400 -0.027 0.000 0.843 141 E CB -0.098 29.590 29.700 -0.022 0.000 0.761 141 E HN 0.457 nan 8.360 nan 0.000 0.507 142 D N 0.585 120.960 120.400 -0.042 0.000 2.468 142 D HA 0.248 4.899 4.640 0.018 0.000 0.243 142 D C 0.632 176.902 176.300 -0.050 0.000 0.994 142 D CA 0.580 54.554 54.000 -0.043 0.000 0.932 142 D CB 0.719 41.490 40.800 -0.047 0.000 1.078 142 D HN 0.142 nan 8.370 nan 0.000 0.473 143 I N 0.737 121.275 120.570 -0.053 0.000 2.571 143 I HA 0.145 4.326 4.170 0.018 0.000 0.289 143 I C -0.716 175.372 176.117 -0.048 0.000 1.115 143 I CA -0.426 60.839 61.300 -0.059 0.000 1.045 143 I CB 2.420 40.380 38.000 -0.066 0.000 1.238 143 I HN -0.266 nan 8.210 nan 0.000 0.424 144 S N 3.950 119.623 115.700 -0.045 0.000 2.586 144 S HA 0.604 5.085 4.470 0.018 0.000 0.274 144 S C 0.324 174.905 174.600 -0.031 0.000 1.281 144 S CA -0.694 57.487 58.200 -0.033 0.000 1.035 144 S CB 1.594 64.777 63.200 -0.028 0.000 0.962 144 S HN 0.688 nan 8.310 nan 0.000 0.512 145 A N 1.418 124.226 122.820 -0.020 0.000 2.462 145 A HA 0.557 4.888 4.320 0.018 0.000 0.243 145 A C 1.492 179.066 177.584 -0.016 0.000 1.076 145 A CA 0.273 52.301 52.037 -0.015 0.000 0.773 145 A CB -0.860 18.137 19.000 -0.005 0.000 1.010 145 A HN 1.704 nan 8.150 nan 0.000 0.493 146 G N 0.521 109.311 108.800 -0.016 0.000 2.317 146 G HA2 0.120 4.091 3.960 0.018 0.000 0.227 146 G HA3 0.120 4.091 3.960 0.018 0.000 0.227 146 G C 0.797 175.683 174.900 -0.022 0.000 1.042 146 G CA 0.479 45.570 45.100 -0.015 0.000 0.623 146 G HN 2.229 nan 8.290 nan 0.000 0.509 147 A N 0.253 123.053 122.820 -0.033 0.000 2.406 147 A HA 0.598 4.928 4.320 0.018 0.000 0.243 147 A C 0.672 178.224 177.584 -0.054 0.000 1.082 147 A CA 0.680 52.690 52.037 -0.045 0.000 0.786 147 A CB 0.638 19.603 19.000 -0.059 0.000 1.029 147 A HN 1.233 nan 8.150 nan 0.000 0.495 148 V N 2.599 122.479 119.914 -0.058 0.000 2.432 148 V HA 0.152 4.283 4.120 0.018 0.000 0.271 148 V C 1.059 177.079 176.094 -0.123 0.000 1.046 148 V CA -0.092 62.172 62.300 -0.059 0.000 0.945 148 V CB 1.044 32.845 31.823 -0.036 0.000 0.992 148 V HN 0.696 nan 8.190 nan 0.000 0.471 149 V N 4.598 124.410 119.914 -0.170 0.000 2.685 149 V HA 0.212 4.342 4.120 0.018 0.000 0.244 149 V C 0.114 175.788 176.094 -0.699 0.000 1.054 149 V CA 1.118 63.169 62.300 -0.416 0.000 1.076 149 V CB -0.241 31.338 31.823 -0.405 0.000 0.725 149 V HN 0.659 nan 8.190 nan 0.000 0.467 150 F N 0.917 120.860 119.950 -0.012 0.000 2.588 150 F HA 0.550 5.087 4.527 0.018 0.000 0.318 150 F C -2.735 173.057 175.800 -0.014 0.000 1.155 150 F CA -2.846 55.145 58.000 -0.015 0.000 0.967 150 F CB 1.935 40.924 39.000 -0.019 0.000 1.236 150 F HN -0.168 nan 8.300 nan 0.000 0.455 151 P HA 0.335 nan 4.420 nan 0.000 0.276 151 P C -0.778 176.567 177.300 0.075 0.000 1.244 151 P CA -0.346 62.808 63.100 0.089 0.000 0.801 151 P CB 1.241 32.978 31.700 0.062 0.000 1.006 152 A N 1.060 123.907 122.820 0.046 0.000 2.511 152 A HA 0.439 4.769 4.320 0.018 0.000 0.242 152 A C 1.384 178.978 177.584 0.018 0.000 1.069 152 A CA 0.907 52.961 52.037 0.028 0.000 0.763 152 A CB -1.400 17.612 19.000 0.020 0.000 1.001 152 A HN 0.876 nan 8.150 nan 0.000 0.498 153 G N 1.517 110.319 108.800 0.003 0.000 2.253 153 G HA2 -0.170 3.801 3.960 0.018 0.000 0.209 153 G HA3 -0.170 3.801 3.960 0.018 0.000 0.209 153 G C 0.390 175.276 174.900 -0.023 0.000 0.997 153 G CA 0.145 45.241 45.100 -0.008 0.000 0.640 153 G HN 1.168 nan 8.290 nan 0.000 0.496 154 T N 2.089 116.628 114.554 -0.025 0.000 2.799 154 T HA 0.400 4.761 4.350 0.018 0.000 0.296 154 T C 0.605 175.233 174.700 -0.120 0.000 0.947 154 T CA 0.028 62.090 62.100 -0.064 0.000 1.141 154 T CB 1.189 70.015 68.868 -0.070 0.000 0.891 154 T HN 0.523 nan 8.240 nan 0.000 0.533 155 R N 3.932 124.356 120.500 -0.128 0.000 2.370 155 R HA 0.210 4.561 4.340 0.018 0.000 0.309 155 R C -0.415 175.736 176.300 -0.249 0.000 1.059 155 R CA -0.433 55.569 56.100 -0.163 0.000 0.981 155 R CB 0.049 30.265 30.300 -0.139 0.000 0.972 155 R HN 0.591 nan 8.270 nan 0.000 0.437 156 L N 5.321 126.373 121.223 -0.286 0.000 2.360 156 L HA 0.264 4.615 4.340 0.018 0.000 0.276 156 L C 0.747 177.297 176.870 -0.533 0.000 1.121 156 L CA -0.060 54.562 54.840 -0.364 0.000 0.845 156 L CB 1.118 43.009 42.059 -0.280 0.000 1.143 156 L HN 0.871 nan 8.230 nan 0.000 0.452 157 T N -2.423 111.834 114.554 -0.494 0.000 2.626 157 T HA 0.216 4.577 4.350 0.018 0.000 0.279 157 T C 0.917 175.492 174.700 -0.209 0.000 0.983 157 T CA -0.312 61.428 62.100 -0.599 0.000 1.059 157 T CB 1.234 69.857 68.868 -0.409 0.000 1.396 157 T HN 0.385 nan 8.240 nan 0.000 0.519 158 T N 0.946 115.519 114.554 0.032 0.000 2.929 158 T HA 0.043 4.403 4.350 0.018 0.000 0.271 158 T C 2.207 176.922 174.700 0.024 0.000 1.085 158 T CA 1.379 63.537 62.100 0.096 0.000 1.125 158 T CB -0.818 68.146 68.868 0.160 0.000 0.874 158 T HN 0.780 nan 8.240 nan 0.000 0.494 159 A N 2.163 124.973 122.820 -0.017 0.000 1.898 159 A HA -0.103 4.228 4.320 0.018 0.000 0.216 159 A C 2.351 179.925 177.584 -0.017 0.000 1.181 159 A CA 1.347 53.382 52.037 -0.005 0.000 0.620 159 A CB -0.133 18.860 19.000 -0.011 0.000 0.819 159 A HN 0.572 nan 8.150 nan 0.000 0.442 160 E N -0.113 119.983 120.200 -0.173 0.000 2.290 160 E HA 0.090 4.451 4.350 0.018 0.000 0.197 160 E C 1.923 178.418 176.600 -0.174 0.000 0.948 160 E CA 0.270 56.471 56.400 -0.331 0.000 0.895 160 E CB -0.742 28.211 29.700 -1.245 0.000 0.865 160 E HN 0.533 nan 8.360 nan 0.000 0.486 161 L N 1.710 122.848 121.223 -0.142 0.000 2.042 161 L HA -0.108 4.243 4.340 0.018 0.000 0.210 161 L C -0.260 176.624 176.870 0.023 0.000 1.076 161 L CA 1.870 56.678 54.840 -0.053 0.000 0.749 161 L CB -1.555 40.482 42.059 -0.036 0.000 0.893 161 L HN 0.153 nan 8.230 nan 0.000 0.432 162 P HA -0.092 nan 4.420 nan 0.000 0.221 162 P C 1.888 179.234 177.300 0.076 0.000 1.150 162 P CA 1.089 64.221 63.100 0.054 0.000 0.800 162 P CB 0.064 31.794 31.700 0.050 0.000 0.787 163 V N 0.564 120.551 119.914 0.121 0.000 2.343 163 V HA -0.215 3.916 4.120 0.018 0.000 0.247 163 V C 2.651 178.834 176.094 0.148 0.000 1.051 163 V CA 1.519 63.911 62.300 0.154 0.000 1.036 163 V CB -1.042 30.947 31.823 0.276 0.000 0.654 163 V HN 0.012 nan 8.190 nan 0.000 0.451 164 I N 0.524 121.204 120.570 0.184 0.000 2.286 164 I HA -0.237 3.944 4.170 0.018 0.000 0.248 164 I C 2.634 178.798 176.117 0.079 0.000 1.115 164 I CA 1.413 62.799 61.300 0.143 0.000 1.392 164 I CB -0.574 37.501 38.000 0.125 0.000 1.065 164 I HN 0.298 nan 8.210 nan 0.000 0.418 165 A N 0.739 123.597 122.820 0.064 0.000 1.933 165 A HA -0.215 4.116 4.320 0.018 0.000 0.218 165 A C 2.435 180.042 177.584 0.039 0.000 1.175 165 A CA 1.923 53.988 52.037 0.046 0.000 0.628 165 A CB -0.775 18.250 19.000 0.041 0.000 0.814 165 A HN 0.524 nan 8.150 nan 0.000 0.444 166 S N -0.296 115.427 115.700 0.039 0.000 2.537 166 S HA 0.010 4.491 4.470 0.018 0.000 0.240 166 S C 1.435 176.045 174.600 0.017 0.000 0.981 166 S CA 1.181 59.395 58.200 0.023 0.000 0.948 166 S CB -0.563 62.647 63.200 0.017 0.000 0.759 166 S HN 0.487 nan 8.310 nan 0.000 0.531 167 L N 0.055 121.294 121.223 0.026 0.000 2.529 167 L HA 0.367 4.718 4.340 0.018 0.000 0.223 167 L C 2.035 178.919 176.870 0.023 0.000 1.113 167 L CA 0.397 55.249 54.840 0.020 0.000 0.861 167 L CB -0.656 41.418 42.059 0.026 0.000 1.012 167 L HN 0.569 nan 8.230 nan 0.000 0.461 168 G N 0.972 109.789 108.800 0.027 0.000 2.175 168 G HA2 -0.260 3.710 3.960 0.018 0.000 0.244 168 G HA3 -0.260 3.710 3.960 0.018 0.000 0.244 168 G C 0.296 175.212 174.900 0.027 0.000 0.982 168 G CA -0.320 44.796 45.100 0.027 0.000 0.641 168 G HN 0.251 nan 8.290 nan 0.000 0.527 169 I N 1.559 122.148 120.570 0.030 0.000 2.452 169 I HA 0.402 4.582 4.170 0.018 0.000 0.287 169 I C 1.652 177.787 176.117 0.029 0.000 1.079 169 I CA 0.320 61.638 61.300 0.030 0.000 1.387 169 I CB 1.338 39.360 38.000 0.036 0.000 1.404 169 I HN 0.180 nan 8.210 nan 0.000 0.522 170 A N 5.881 128.716 122.820 0.025 0.000 1.984 170 A HA 0.145 4.476 4.320 0.018 0.000 0.214 170 A C 0.724 178.321 177.584 0.022 0.000 1.173 170 A CA 0.698 52.749 52.037 0.023 0.000 0.673 170 A CB 0.139 19.151 19.000 0.021 0.000 0.830 170 A HN 0.758 nan 8.150 nan 0.000 0.453 171 E N -0.971 119.242 120.200 0.021 0.000 2.393 171 E HA 0.535 4.895 4.350 0.018 0.000 0.273 171 E C -1.438 175.173 176.600 0.018 0.000 0.918 171 E CA -0.826 55.585 56.400 0.018 0.000 0.773 171 E CB 2.546 32.256 29.700 0.016 0.000 1.275 171 E HN 0.256 nan 8.360 nan 0.000 0.451 172 V N -1.886 118.036 119.914 0.014 0.000 3.078 172 V HA 0.678 4.808 4.120 0.018 0.000 0.311 172 V C -2.807 173.292 176.094 0.009 0.000 1.138 172 V CA -2.560 59.748 62.300 0.014 0.000 1.007 172 V CB 1.931 33.762 31.823 0.013 0.000 1.045 172 V HN 0.531 nan 8.190 nan 0.000 0.432 173 P HA 0.511 nan 4.420 nan 0.000 0.292 173 P C -0.697 176.604 177.300 0.003 0.000 1.287 173 P CA -0.193 62.912 63.100 0.008 0.000 0.800 173 P CB 1.657 33.364 31.700 0.011 0.000 0.945 174 V N 1.756 121.670 119.914 0.000 0.000 3.040 174 V HA 0.518 4.648 4.120 0.018 0.000 0.312 174 V C 0.015 176.108 176.094 -0.001 0.000 1.115 174 V CA -1.308 60.989 62.300 -0.006 0.000 0.998 174 V CB 1.936 33.751 31.823 -0.013 0.000 1.042 174 V HN 0.227 nan 8.190 nan 0.000 0.433 175 I N 2.643 123.211 120.570 -0.002 0.000 2.634 175 I HA 0.275 4.455 4.170 0.018 0.000 0.284 175 I C 1.178 177.298 176.117 0.006 0.000 1.124 175 I CA 0.130 61.432 61.300 0.004 0.000 1.417 175 I CB 0.509 38.510 38.000 0.003 0.000 1.396 175 I HN 0.990 nan 8.210 nan 0.000 0.571 176 R N 5.201 125.708 120.500 0.011 0.000 2.784 176 R HA 0.157 4.507 4.340 0.018 0.000 0.266 176 R C -0.286 176.023 176.300 0.015 0.000 1.044 176 R CA -0.464 55.644 56.100 0.013 0.000 1.151 176 R CB 0.457 30.767 30.300 0.015 0.000 1.037 176 R HN 0.428 nan 8.270 nan 0.000 0.478 177 K N 1.231 121.641 120.400 0.016 0.000 2.355 177 K HA 0.077 4.407 4.320 0.018 0.000 0.270 177 K C -0.343 176.271 176.600 0.023 0.000 1.003 177 K CA -0.422 55.876 56.287 0.018 0.000 0.957 177 K CB 0.999 33.511 32.500 0.019 0.000 0.939 177 K HN 0.308 nan 8.250 nan 0.000 0.482 178 V N 3.950 123.879 119.914 0.026 0.000 2.521 178 V HA 0.039 4.170 4.120 0.018 0.000 0.286 178 V C 0.515 176.630 176.094 0.034 0.000 1.034 178 V CA 0.009 62.330 62.300 0.036 0.000 1.045 178 V CB 0.410 32.256 31.823 0.039 0.000 0.974 178 V HN 0.622 nan 8.190 nan 0.000 0.480 179 R N 3.704 124.227 120.500 0.038 0.000 2.202 179 R HA 0.569 4.919 4.340 0.018 0.000 0.334 179 R C -1.132 175.193 176.300 0.041 0.000 1.036 179 R CA -0.370 55.748 56.100 0.032 0.000 0.878 179 R CB 1.320 31.637 30.300 0.028 0.000 1.067 179 R HN 0.555 nan 8.270 nan 0.000 0.457 180 V N 2.690 122.621 119.914 0.028 0.000 2.407 180 V HA 0.471 4.601 4.120 0.018 0.000 0.291 180 V C 0.126 176.229 176.094 0.016 0.000 1.018 180 V CA -1.006 61.316 62.300 0.036 0.000 0.842 180 V CB 1.506 33.353 31.823 0.039 0.000 0.996 180 V HN 0.891 nan 8.190 nan 0.000 0.426 181 A N 4.869 127.715 122.820 0.042 0.000 2.302 181 A HA 0.943 5.273 4.320 0.018 0.000 0.285 181 A C -0.813 176.793 177.584 0.036 0.000 1.105 181 A CA -0.362 51.706 52.037 0.052 0.000 0.816 181 A CB 1.186 20.244 19.000 0.098 0.000 1.067 181 A HN 1.052 nan 8.150 nan 0.000 0.489 182 L N 1.324 122.577 121.223 0.050 0.000 2.505 182 L HA 0.869 5.220 4.340 0.018 0.000 0.259 182 L C -1.331 175.607 176.870 0.114 0.000 0.952 182 L CA -0.364 54.471 54.840 -0.009 0.000 0.840 182 L CB 1.865 43.891 42.059 -0.054 0.000 1.358 182 L HN 1.048 nan 8.230 nan 0.000 0.409 183 F N 1.132 121.061 119.950 -0.036 0.000 2.770 183 F HA 0.857 5.394 4.527 0.018 0.000 0.313 183 F C -1.175 174.609 175.800 -0.027 0.000 1.154 183 F CA -0.198 57.777 58.000 -0.041 0.000 0.923 183 F CB 0.845 39.797 39.000 -0.080 0.000 1.301 183 F HN 0.606 nan 8.300 nan 0.000 0.449 184 S N 0.005 115.853 115.700 0.246 0.000 2.677 184 S HA 0.955 5.435 4.470 0.018 0.000 0.304 184 S C -1.209 173.534 174.600 0.238 0.000 1.108 184 S CA -0.670 57.619 58.200 0.148 0.000 0.944 184 S CB 2.009 65.257 63.200 0.079 0.000 1.127 184 S HN 0.916 nan 8.310 nan 0.000 0.511 185 T N 0.170 114.824 114.554 0.167 0.000 2.952 185 T HA 0.827 5.187 4.350 0.018 0.000 0.305 185 T C -0.355 174.416 174.700 0.118 0.000 1.064 185 T CA -0.279 61.919 62.100 0.164 0.000 1.008 185 T CB 1.327 70.316 68.868 0.202 0.000 1.078 185 T HN 1.648 nan 8.240 nan 0.000 0.459 186 G N 1.590 110.456 108.800 0.110 0.000 2.249 186 G HA2 0.218 4.188 3.960 0.018 0.000 0.252 186 G HA3 0.218 4.188 3.960 0.018 0.000 0.252 186 G C -0.202 174.736 174.900 0.064 0.000 1.697 186 G CA -0.760 44.395 45.100 0.091 0.000 0.916 186 G HN 0.544 nan 8.290 nan 0.000 0.725 187 D N 0.614 121.048 120.400 0.056 0.000 2.263 187 D HA -0.092 4.559 4.640 0.018 0.000 0.208 187 D C 2.297 178.604 176.300 0.012 0.000 0.971 187 D CA 1.367 55.384 54.000 0.029 0.000 0.867 187 D CB 0.316 41.129 40.800 0.022 0.000 0.929 187 D HN 0.728 nan 8.370 nan 0.000 0.492 188 E N 0.849 121.057 120.200 0.013 0.000 2.358 188 E HA -0.091 4.270 4.350 0.018 0.000 0.195 188 E C 0.775 177.359 176.600 -0.027 0.000 1.010 188 E CA 0.036 56.430 56.400 -0.009 0.000 0.856 188 E CB -0.281 29.418 29.700 -0.002 0.000 0.795 188 E HN 0.272 nan 8.360 nan 0.000 0.504 189 L N 1.869 123.090 121.223 -0.003 0.000 2.367 189 L HA 0.260 4.610 4.340 0.018 0.000 0.275 189 L C 0.214 177.078 176.870 -0.009 0.000 1.129 189 L CA -0.259 54.580 54.840 -0.002 0.000 0.839 189 L CB 0.617 42.695 42.059 0.032 0.000 1.133 189 L HN -0.001 nan 8.230 nan 0.000 0.453 190 Q N 2.489 122.276 119.800 -0.022 0.000 2.413 190 Q HA 0.566 4.917 4.340 0.018 0.000 0.276 190 Q C -1.200 174.890 176.000 0.150 0.000 1.099 190 Q CA -0.519 55.289 55.803 0.009 0.000 0.814 190 Q CB 2.086 30.747 28.738 -0.128 0.000 1.379 190 Q HN 0.497 nan 8.270 nan 0.000 0.436 191 L N 4.446 125.758 121.223 0.148 0.000 2.418 191 L HA 0.509 4.860 4.340 0.018 0.000 0.265 191 L C -1.837 175.152 176.870 0.197 0.000 1.143 191 L CA -2.016 52.913 54.840 0.147 0.000 0.809 191 L CB 0.847 42.953 42.059 0.079 0.000 1.124 191 L HN 0.638 nan 8.230 nan 0.000 0.456 192 P HA -0.042 nan 4.420 nan 0.000 0.265 192 P C 0.529 177.805 177.300 -0.041 0.000 1.187 192 P CA 0.488 63.541 63.100 -0.078 0.000 0.766 192 P CB 0.598 32.238 31.700 -0.100 0.000 0.820 193 G N 0.695 109.435 108.800 -0.100 0.000 2.198 193 G HA2 -0.234 3.736 3.960 0.018 0.000 0.260 193 G HA3 -0.234 3.736 3.960 0.018 0.000 0.260 193 G C -0.065 174.861 174.900 0.044 0.000 1.025 193 G CA 0.239 45.320 45.100 -0.031 0.000 0.769 193 G HN 0.720 nan 8.290 nan 0.000 0.507 194 Q N -0.239 119.641 119.800 0.133 0.000 2.397 194 Q HA 0.640 4.990 4.340 0.018 0.000 0.275 194 Q C -2.414 173.707 176.000 0.202 0.000 1.090 194 Q CA -1.867 54.020 55.803 0.141 0.000 0.809 194 Q CB 2.788 31.602 28.738 0.127 0.000 1.362 194 Q HN 0.181 nan 8.270 nan 0.000 0.431 195 P HA 0.127 nan 4.420 nan 0.000 0.271 195 P C -0.791 176.518 177.300 0.014 0.000 1.216 195 P CA -0.049 63.101 63.100 0.084 0.000 0.776 195 P CB 0.674 32.401 31.700 0.046 0.000 0.881 196 L N 2.475 123.674 121.223 -0.040 0.000 2.281 196 L HA 0.370 4.720 4.340 0.018 0.000 0.285 196 L C 1.472 178.295 176.870 -0.078 0.000 1.074 196 L CA -0.287 54.464 54.840 -0.149 0.000 0.817 196 L CB 0.785 42.696 42.059 -0.246 0.000 1.168 196 L HN 0.510 nan 8.230 nan 0.000 0.434 197 G N 1.501 110.258 108.800 -0.072 0.000 2.563 197 G HA2 0.052 4.023 3.960 0.018 0.000 0.283 197 G HA3 0.052 4.023 3.960 0.018 0.000 0.283 197 G C -0.557 174.317 174.900 -0.043 0.000 1.309 197 G CA -0.496 44.578 45.100 -0.043 0.000 1.022 197 G HN 0.661 nan 8.290 nan 0.000 0.501 198 D N -0.894 119.490 120.400 -0.027 0.000 2.479 198 D HA 0.344 4.995 4.640 0.018 0.000 0.257 198 D C 1.446 177.731 176.300 -0.025 0.000 1.230 198 D CA 1.761 55.748 54.000 -0.021 0.000 0.912 198 D CB -0.173 40.619 40.800 -0.013 0.000 1.130 198 D HN 1.028 nan 8.370 nan 0.000 0.515 199 G N 3.051 111.836 108.800 -0.027 0.000 2.179 199 G HA2 -0.296 3.674 3.960 0.018 0.000 0.260 199 G HA3 -0.296 3.674 3.960 0.018 0.000 0.260 199 G C 0.364 175.240 174.900 -0.040 0.000 0.977 199 G CA 0.330 45.416 45.100 -0.024 0.000 0.641 199 G HN 0.606 nan 8.290 nan 0.000 0.533 200 Q N -0.132 119.627 119.800 -0.069 0.000 2.260 200 Q HA 0.723 5.073 4.340 0.018 0.000 0.238 200 Q C 0.668 176.570 176.000 -0.163 0.000 0.948 200 Q CA 0.187 55.925 55.803 -0.109 0.000 0.895 200 Q CB 1.550 30.205 28.738 -0.138 0.000 1.218 200 Q HN 0.875 nan 8.270 nan 0.000 0.470 201 I N -2.831 117.625 120.570 -0.190 0.000 3.102 201 I HA 0.413 4.594 4.170 0.018 0.000 0.310 201 I C -1.429 174.530 176.117 -0.263 0.000 1.246 201 I CA -1.338 59.834 61.300 -0.213 0.000 0.979 201 I CB 1.436 39.397 38.000 -0.065 0.000 1.267 201 I HN 0.408 nan 8.210 nan 0.000 0.451 202 Y N 1.472 121.772 120.300 0.001 0.000 2.335 202 Y HA 0.252 4.813 4.550 0.018 0.000 0.331 202 Y C 0.458 176.349 175.900 -0.015 0.000 1.094 202 Y CA 0.218 58.314 58.100 -0.007 0.000 1.253 202 Y CB 0.211 38.663 38.460 -0.013 0.000 1.203 202 Y HN 0.509 nan 8.280 nan 0.000 0.508 203 D N 1.517 122.002 120.400 0.140 0.000 2.434 203 D HA 0.015 4.666 4.640 0.018 0.000 0.252 203 D C 0.347 176.672 176.300 0.042 0.000 1.185 203 D CA 0.687 54.728 54.000 0.069 0.000 0.886 203 D CB 1.018 41.855 40.800 0.062 0.000 1.148 203 D HN 0.696 nan 8.370 nan 0.000 0.483 204 T N 2.897 117.447 114.554 -0.007 0.000 2.987 204 T HA 0.060 4.420 4.350 0.018 0.000 0.248 204 T C 1.586 176.218 174.700 -0.113 0.000 0.997 204 T CA -0.043 62.011 62.100 -0.076 0.000 1.013 204 T CB -0.004 68.787 68.868 -0.128 0.000 1.077 204 T HN 0.434 nan 8.240 nan 0.000 0.483 205 N N 1.290 119.942 118.700 -0.080 0.000 2.166 205 N HA -0.076 4.674 4.740 0.018 0.000 0.186 205 N C 2.065 177.534 175.510 -0.069 0.000 1.019 205 N CA 0.744 53.749 53.050 -0.075 0.000 0.856 205 N CB 0.047 38.517 38.487 -0.030 0.000 0.993 205 N HN 0.184 nan 8.380 nan 0.000 0.426 206 R N 0.951 121.429 120.500 -0.037 0.000 2.081 206 R HA -0.108 4.243 4.340 0.018 0.000 0.235 206 R C 2.225 178.520 176.300 -0.009 0.000 1.131 206 R CA 0.948 57.039 56.100 -0.015 0.000 0.960 206 R CB -0.226 30.088 30.300 0.023 0.000 0.856 206 R HN 0.146 nan 8.270 nan 0.000 0.436 207 L N 0.493 121.696 121.223 -0.032 0.000 2.027 207 L HA -0.023 4.328 4.340 0.018 0.000 0.206 207 L C 2.209 179.040 176.870 -0.065 0.000 1.074 207 L CA 2.117 56.929 54.840 -0.046 0.000 0.745 207 L CB -0.822 41.192 42.059 -0.076 0.000 0.898 207 L HN 0.231 nan 8.230 nan 0.000 0.433 208 A N -0.818 121.938 122.820 -0.108 0.000 1.873 208 A HA -0.219 4.111 4.320 0.018 0.000 0.218 208 A C 2.272 179.730 177.584 -0.209 0.000 1.193 208 A CA 2.569 54.523 52.037 -0.138 0.000 0.629 208 A CB -1.315 17.601 19.000 -0.141 0.000 0.826 208 A HN 0.326 nan 8.150 nan 0.000 0.447 209 V N -0.384 119.381 119.914 -0.248 0.000 2.295 209 V HA -0.274 3.856 4.120 0.018 0.000 0.246 209 V C 2.549 178.503 176.094 -0.234 0.000 1.049 209 V CA 2.241 64.295 62.300 -0.411 0.000 1.024 209 V CB -1.064 30.567 31.823 -0.321 0.000 0.648 209 V HN 0.760 nan 8.190 nan 0.000 0.447 210 H N 0.389 119.353 119.070 -0.176 0.000 2.289 210 H HA -0.076 4.490 4.556 0.018 0.000 0.296 210 H C 1.348 176.611 175.328 -0.108 0.000 1.091 210 H CA 1.267 57.251 56.048 -0.106 0.000 1.274 210 H CB -0.406 29.313 29.762 -0.072 0.000 1.364 210 H HN 0.262 nan 8.280 nan 0.000 0.490 214 E N 0.967 121.188 120.200 0.036 0.000 2.072 214 E HA -0.186 4.175 4.350 0.018 0.000 0.191 214 E C 1.529 178.152 176.600 0.038 0.000 0.985 214 E CA 1.035 57.464 56.400 0.049 0.000 0.801 214 E CB 0.091 29.846 29.700 0.091 0.000 0.750 214 E HN 0.386 nan 8.360 nan 0.000 0.452 215 Q N 0.297 120.111 119.800 0.024 0.000 2.291 215 Q HA -0.047 4.303 4.340 0.018 0.000 0.205 215 Q C 2.056 178.075 176.000 0.032 0.000 0.970 215 Q CA 0.775 56.589 55.803 0.018 0.000 0.876 215 Q CB -0.038 28.694 28.738 -0.011 0.000 0.935 215 Q HN 0.371 nan 8.270 nan 0.000 0.455 216 L N -0.677 120.567 121.223 0.035 0.000 2.591 216 L HA 0.143 4.494 4.340 0.018 0.000 0.228 216 L C 0.910 177.799 176.870 0.032 0.000 1.133 216 L CA 0.397 55.256 54.840 0.032 0.000 0.880 216 L CB -0.276 41.807 42.059 0.040 0.000 1.033 216 L HN 0.287 nan 8.230 nan 0.000 0.450 217 G N -0.376 108.448 108.800 0.040 0.000 2.149 217 G HA2 -0.244 3.727 3.960 0.018 0.000 0.235 217 G HA3 -0.244 3.727 3.960 0.018 0.000 0.235 217 G C 0.136 175.053 174.900 0.029 0.000 1.018 217 G CA -0.039 45.084 45.100 0.038 0.000 0.728 217 G HN 0.349 nan 8.290 nan 0.000 0.508 218 C N -0.335 118.982 119.300 0.028 0.000 2.335 218 C HA 0.713 5.183 4.460 0.018 0.000 0.363 218 C C 0.683 175.680 174.990 0.013 0.000 1.198 218 C CA -0.630 58.401 59.018 0.022 0.000 2.279 218 C CB 1.604 29.360 27.740 0.027 0.000 2.334 218 C HN 0.619 nan 8.230 nan 0.000 0.559 219 E N 0.973 121.179 120.200 0.009 0.000 2.081 219 E HA 0.457 4.817 4.350 0.018 0.000 0.281 219 E C -0.932 175.654 176.600 -0.023 0.000 0.986 219 E CA -0.102 56.299 56.400 0.002 0.000 0.796 219 E CB 0.526 30.233 29.700 0.011 0.000 1.085 219 E HN 0.428 nan 8.360 nan 0.000 0.398 220 V N 6.308 126.185 119.914 -0.061 0.000 2.509 220 V HA 0.368 4.498 4.120 0.018 0.000 0.284 220 V C 0.371 176.406 176.094 -0.098 0.000 1.047 220 V CA -0.512 61.698 62.300 -0.151 0.000 0.952 220 V CB 1.086 32.654 31.823 -0.425 0.000 0.988 220 V HN 0.645 nan 8.190 nan 0.000 0.469 221 I N 4.112 124.636 120.570 -0.076 0.000 2.537 221 I HA 0.319 4.500 4.170 0.018 0.000 0.276 221 I C -0.012 176.104 176.117 -0.002 0.000 1.063 221 I CA -0.102 61.188 61.300 -0.016 0.000 1.144 221 I CB 0.835 38.841 38.000 0.011 0.000 1.252 221 I HN 0.628 nan 8.210 nan 0.000 0.480 222 N N 5.783 124.492 118.700 0.016 0.000 2.406 222 N HA 0.308 5.059 4.740 0.018 0.000 0.251 222 N C 0.661 176.220 175.510 0.082 0.000 1.069 222 N CA -0.367 52.723 53.050 0.067 0.000 0.947 222 N CB 0.834 39.417 38.487 0.159 0.000 1.111 222 N HN 0.596 nan 8.380 nan 0.000 0.497 223 L N 3.022 124.307 121.223 0.103 0.000 2.592 223 L HA 0.330 4.681 4.340 0.018 0.000 0.227 223 L C 1.409 178.314 176.870 0.057 0.000 1.127 223 L CA -0.023 54.855 54.840 0.063 0.000 0.884 223 L CB -1.027 41.048 42.059 0.026 0.000 1.065 223 L HN 0.832 nan 8.230 nan 0.000 0.457 224 G N 1.171 110.028 108.800 0.095 0.000 2.553 224 G HA2 -0.263 3.708 3.960 0.018 0.000 0.242 224 G HA3 -0.263 3.708 3.960 0.018 0.000 0.242 224 G C -0.337 174.622 174.900 0.100 0.000 1.277 224 G CA -0.498 44.650 45.100 0.080 0.000 0.910 224 G HN 0.071 nan 8.290 nan 0.000 0.576 225 I N 1.259 121.870 120.570 0.067 0.000 2.359 225 I HA 0.423 4.603 4.170 0.018 0.000 0.294 225 I C 0.021 176.162 176.117 0.040 0.000 0.987 225 I CA -0.794 60.550 61.300 0.073 0.000 1.225 225 I CB 1.435 39.471 38.000 0.060 0.000 1.366 225 I HN 0.268 nan 8.210 nan 0.000 0.466 226 I N 6.281 126.882 120.570 0.051 0.000 2.362 226 I HA 0.398 4.578 4.170 0.018 0.000 0.289 226 I C 0.467 176.613 176.117 0.049 0.000 0.994 226 I CA -0.553 60.750 61.300 0.005 0.000 1.158 226 I CB 1.252 39.212 38.000 -0.067 0.000 1.315 226 I HN 0.570 nan 8.210 nan 0.000 0.451 227 R N 3.488 124.007 120.500 0.031 0.000 2.707 227 R HA 0.116 4.466 4.340 0.018 0.000 0.270 227 R C -0.262 176.078 176.300 0.068 0.000 1.083 227 R CA -0.589 55.536 56.100 0.042 0.000 1.182 227 R CB 0.617 30.925 30.300 0.013 0.000 1.084 227 R HN 0.446 nan 8.270 nan 0.000 0.528 228 D N 2.025 122.473 120.400 0.081 0.000 2.422 228 D HA -0.025 4.626 4.640 0.018 0.000 0.263 228 D C -0.680 175.543 176.300 -0.129 0.000 1.334 228 D CA 1.044 55.111 54.000 0.112 0.000 1.105 228 D CB 0.014 40.886 40.800 0.120 0.000 1.107 228 D HN 0.305 nan 8.370 nan 0.000 0.522 229 D N 2.228 122.559 120.400 -0.114 0.000 2.616 229 D HA 0.113 4.764 4.640 0.018 0.000 0.238 229 D C -1.949 174.243 176.300 -0.180 0.000 1.354 229 D CA -1.814 52.048 54.000 -0.230 0.000 0.970 229 D CB 2.295 43.026 40.800 -0.115 0.000 1.369 229 D HN -0.037 nan 8.370 nan 0.000 0.585 230 P HA -0.176 nan 4.420 nan 0.000 0.218 230 P C 0.979 178.259 177.300 -0.034 0.000 1.148 230 P CA 1.100 64.133 63.100 -0.113 0.000 0.822 230 P CB 0.319 31.899 31.700 -0.200 0.000 0.784 231 H N 0.375 119.446 119.070 0.002 0.000 2.363 231 H HA 0.102 4.669 4.556 0.018 0.000 0.301 231 H C 2.187 177.514 175.328 -0.002 0.000 1.074 231 H CA 1.392 57.440 56.048 -0.001 0.000 1.354 231 H CB -1.173 28.577 29.762 -0.019 0.000 1.397 231 H HN 0.144 nan 8.280 nan 0.000 0.516 232 A N 1.355 124.226 122.820 0.085 0.000 1.969 232 A HA -0.036 4.294 4.320 0.018 0.000 0.218 232 A C 2.615 180.186 177.584 -0.022 0.000 1.169 232 A CA 0.623 52.669 52.037 0.015 0.000 0.635 232 A CB -0.743 18.252 19.000 -0.010 0.000 0.810 232 A HN 0.302 nan 8.150 nan 0.000 0.445 233 L N -0.780 120.468 121.223 0.042 0.000 2.017 233 L HA -0.184 4.167 4.340 0.018 0.000 0.208 233 L C 2.861 179.810 176.870 0.131 0.000 1.073 233 L CA 1.452 56.337 54.840 0.075 0.000 0.745 233 L CB -0.366 41.839 42.059 0.243 0.000 0.894 233 L HN 0.407 nan 8.230 nan 0.000 0.432 234 R N -0.501 120.092 120.500 0.155 0.000 2.091 234 R HA -0.187 4.163 4.340 0.018 0.000 0.238 234 R C 2.259 178.616 176.300 0.095 0.000 1.136 234 R CA 1.421 57.613 56.100 0.155 0.000 0.959 234 R CB -0.476 29.887 30.300 0.107 0.000 0.856 234 R HN 0.431 nan 8.270 nan 0.000 0.437 235 A N 1.221 124.057 122.820 0.028 0.000 1.902 235 A HA -0.107 4.223 4.320 0.018 0.000 0.217 235 A C 2.378 179.907 177.584 -0.091 0.000 1.181 235 A CA 1.663 53.688 52.037 -0.021 0.000 0.623 235 A CB -0.590 18.391 19.000 -0.032 0.000 0.818 235 A HN 0.405 nan 8.150 nan 0.000 0.443 236 A N -1.378 121.309 122.820 -0.222 0.000 1.933 236 A HA 0.013 4.344 4.320 0.018 0.000 0.218 236 A C 1.941 179.288 177.584 -0.394 0.000 1.175 236 A CA 1.498 53.233 52.037 -0.502 0.000 0.628 236 A CB -0.669 17.687 19.000 -1.073 0.000 0.814 236 A HN 0.445 nan 8.150 nan 0.000 0.444 237 F N -0.086 119.775 119.950 -0.148 0.000 2.163 237 F HA -0.035 4.503 4.527 0.018 0.000 0.297 237 F C 2.165 177.955 175.800 -0.016 0.000 1.094 237 F CA 1.145 59.143 58.000 -0.003 0.000 1.290 237 F CB -0.326 38.662 39.000 -0.020 0.000 1.017 237 F HN 0.110 nan 8.300 nan 0.000 0.483 238 I N -0.268 120.389 120.570 0.145 0.000 2.179 238 I HA -0.299 3.882 4.170 0.018 0.000 0.242 238 I C 2.492 178.632 176.117 0.038 0.000 1.088 238 I CA 1.667 63.009 61.300 0.069 0.000 1.357 238 I CB -0.482 37.538 38.000 0.034 0.000 1.051 238 I HN 0.185 nan 8.210 nan 0.000 0.409 239 E N 1.177 121.381 120.200 0.007 0.000 2.051 239 E HA -0.255 4.106 4.350 0.018 0.000 0.192 239 E C 2.272 178.883 176.600 0.018 0.000 0.991 239 E CA 1.440 57.836 56.400 -0.007 0.000 0.799 239 E CB -0.042 29.632 29.700 -0.045 0.000 0.748 239 E HN 0.470 nan 8.360 nan 0.000 0.449 240 A N 1.187 124.030 122.820 0.038 0.000 1.865 240 A HA -0.273 4.058 4.320 0.018 0.000 0.217 240 A C 1.974 179.614 177.584 0.093 0.000 1.191 240 A CA 2.131 54.224 52.037 0.094 0.000 0.623 240 A CB -0.981 18.133 19.000 0.189 0.000 0.826 240 A HN 0.488 nan 8.150 nan 0.000 0.444 241 D N -0.163 120.302 120.400 0.108 0.000 2.221 241 D HA -0.157 4.494 4.640 0.018 0.000 0.204 241 D C 2.074 178.390 176.300 0.027 0.000 0.982 241 D CA 1.815 55.857 54.000 0.071 0.000 0.857 241 D CB -0.038 40.803 40.800 0.068 0.000 0.934 241 D HN 0.497 nan 8.370 nan 0.000 0.475 242 S N -1.371 114.344 115.700 0.024 0.000 2.447 242 S HA -0.134 4.347 4.470 0.018 0.000 0.233 242 S C 1.334 175.937 174.600 0.006 0.000 1.006 242 S CA 0.581 58.785 58.200 0.007 0.000 0.957 242 S CB -0.035 63.169 63.200 0.006 0.000 0.773 242 S HN 0.380 nan 8.310 nan 0.000 0.507 243 Q N 0.398 120.207 119.800 0.015 0.000 2.632 243 Q HA 0.648 4.998 4.340 0.018 0.000 0.352 243 Q C -0.901 175.112 176.000 0.021 0.000 0.821 243 Q CA -0.144 55.667 55.803 0.014 0.000 1.060 243 Q CB 1.453 30.199 28.738 0.012 0.000 1.429 243 Q HN 0.599 nan 8.270 nan 0.000 0.391 244 A N -0.428 122.406 122.820 0.023 0.000 2.606 244 A HA 0.442 4.773 4.320 0.018 0.000 0.293 244 A C -0.534 177.068 177.584 0.031 0.000 1.082 244 A CA -0.553 51.505 52.037 0.035 0.000 0.685 244 A CB 1.292 20.325 19.000 0.054 0.000 1.284 244 A HN 0.189 nan 8.150 nan 0.000 0.408 245 D N -0.448 119.983 120.400 0.051 0.000 2.216 245 D HA 0.181 4.831 4.640 0.018 0.000 0.208 245 D C 0.237 176.610 176.300 0.122 0.000 0.960 245 D CA 1.506 55.548 54.000 0.071 0.000 0.861 245 D CB 0.577 41.436 40.800 0.098 0.000 0.985 245 D HN 0.258 nan 8.370 nan 0.000 0.493 246 V N 1.030 121.022 119.914 0.130 0.000 2.841 246 V HA 0.377 4.508 4.120 0.018 0.000 0.310 246 V C -0.303 175.870 176.094 0.131 0.000 1.090 246 V CA -0.862 61.539 62.300 0.168 0.000 0.930 246 V CB 3.046 34.971 31.823 0.170 0.000 1.014 246 V HN -0.272 nan 8.190 nan 0.000 0.425 247 V N 4.966 124.977 119.914 0.162 0.000 2.540 247 V HA 0.584 4.715 4.120 0.018 0.000 0.302 247 V C -0.539 175.609 176.094 0.090 0.000 1.035 247 V CA -0.358 62.048 62.300 0.177 0.000 0.873 247 V CB 1.844 33.859 31.823 0.320 0.000 0.992 247 V HN 0.687 nan 8.190 nan 0.000 0.428 248 I N 3.137 123.684 120.570 -0.038 0.000 2.465 248 I HA 0.425 4.606 4.170 0.018 0.000 0.291 248 I C -0.098 175.822 176.117 -0.328 0.000 1.014 248 I CA -0.401 60.790 61.300 -0.182 0.000 1.093 248 I CB 2.253 40.210 38.000 -0.072 0.000 1.267 248 I HN 0.579 nan 8.210 nan 0.000 0.431 249 S N 3.228 118.722 115.700 -0.343 0.000 2.423 249 S HA 0.167 4.647 4.470 0.018 0.000 0.317 249 S C 1.109 175.586 174.600 -0.205 0.000 1.065 249 S CA -0.534 57.439 58.200 -0.379 0.000 1.111 249 S CB 0.731 63.865 63.200 -0.109 0.000 0.968 249 S HN 0.746 nan 8.310 nan 0.000 0.474 250 S N 3.547 119.142 115.700 -0.175 0.000 2.474 250 S HA 0.346 4.826 4.470 0.018 0.000 0.235 250 S C 1.013 175.599 174.600 -0.024 0.000 0.997 250 S CA 0.261 58.416 58.200 -0.074 0.000 0.949 250 S CB -0.412 62.750 63.200 -0.064 0.000 0.766 250 S HN 1.378 nan 8.310 nan 0.000 0.517 251 G N -2.046 106.742 108.800 -0.021 0.000 2.376 251 G HA2 0.520 4.491 3.960 0.018 0.000 0.302 251 G HA3 0.520 4.491 3.960 0.018 0.000 0.302 251 G C 0.210 175.137 174.900 0.046 0.000 1.586 251 G CA -0.182 44.933 45.100 0.025 0.000 0.907 251 G HN 1.233 nan 8.290 nan 0.000 0.655 252 G N -1.669 107.167 108.800 0.061 0.000 2.218 252 G HA2 0.041 4.011 3.960 0.018 0.000 0.216 252 G HA3 0.041 4.011 3.960 0.018 0.000 0.216 252 G C 0.227 175.166 174.900 0.065 0.000 0.994 252 G CA 0.651 45.793 45.100 0.070 0.000 0.637 252 G HN 1.758 nan 8.290 nan 0.000 0.505 253 V N 1.746 121.712 119.914 0.088 0.000 2.417 253 V HA 0.701 4.831 4.120 0.018 0.000 0.291 253 V C 1.133 177.299 176.094 0.121 0.000 1.024 253 V CA -0.031 62.335 62.300 0.111 0.000 0.861 253 V CB 1.557 33.516 31.823 0.227 0.000 0.985 253 V HN 0.793 nan 8.190 nan 0.000 0.436 254 S N 3.509 119.257 115.700 0.081 0.000 2.810 254 S HA -0.024 4.456 4.470 0.018 0.000 0.329 254 S C 0.728 175.480 174.600 0.254 0.000 1.231 254 S CA 0.271 58.537 58.200 0.109 0.000 1.042 254 S CB 0.295 63.513 63.200 0.029 0.000 0.756 254 S HN 1.093 nan 8.310 nan 0.000 0.504 255 V N 2.895 122.938 119.914 0.215 0.000 3.177 255 V HA 0.665 4.796 4.120 0.018 0.000 0.342 255 V C 1.378 177.681 176.094 0.348 0.000 1.379 255 V CA 0.280 62.756 62.300 0.293 0.000 1.191 255 V CB -0.505 31.428 31.823 0.183 0.000 1.167 255 V HN 1.112 nan 8.190 nan 0.000 0.471 256 G N -0.325 108.575 108.800 0.167 0.000 3.511 256 G HA2 -0.075 3.896 3.960 0.018 0.000 0.218 256 G HA3 -0.075 3.896 3.960 0.018 0.000 0.218 256 G C -0.006 174.785 174.900 -0.180 0.000 1.001 256 G CA -0.390 44.667 45.100 -0.071 0.000 0.877 256 G HN 0.458 nan 8.290 nan 0.000 0.450 257 E N 1.094 121.244 120.200 -0.083 0.000 2.360 257 E HA 0.476 4.837 4.350 0.018 0.000 0.269 257 E C 0.429 176.956 176.600 -0.123 0.000 1.022 257 E CA 0.219 56.572 56.400 -0.079 0.000 0.887 257 E CB 1.477 31.162 29.700 -0.026 0.000 0.990 257 E HN 0.428 nan 8.360 nan 0.000 0.426 258 A N 4.445 127.201 122.820 -0.107 0.000 2.981 258 A HA 0.059 4.390 4.320 0.018 0.000 0.280 258 A C -0.301 177.248 177.584 -0.059 0.000 1.797 258 A CA -0.254 51.722 52.037 -0.102 0.000 1.456 258 A CB -0.716 18.236 19.000 -0.080 0.000 1.057 258 A HN 0.540 nan 8.150 nan 0.000 0.602 259 D N -0.513 119.843 120.400 -0.073 0.000 2.654 259 D HA 0.238 4.888 4.640 0.018 0.000 0.255 259 D C 0.832 177.104 176.300 -0.046 0.000 1.101 259 D CA -0.446 53.532 54.000 -0.038 0.000 1.116 259 D CB -0.118 40.646 40.800 -0.059 0.000 1.348 259 D HN 0.316 nan 8.370 nan 0.000 0.609 260 Y N -1.354 118.945 120.300 -0.003 0.000 2.333 260 Y HA -0.098 4.462 4.550 0.018 0.000 0.290 260 Y C 2.003 177.911 175.900 0.013 0.000 1.144 260 Y CA 1.950 60.048 58.100 -0.004 0.000 1.228 260 Y CB -1.331 37.121 38.460 -0.012 0.000 0.985 260 Y HN 0.395 nan 8.280 nan 0.000 0.542 261 T N -2.019 112.053 114.554 -0.804 0.000 2.985 261 T HA -0.089 4.272 4.350 0.018 0.000 0.266 261 T C 1.786 176.392 174.700 -0.157 0.000 1.076 261 T CA 1.155 62.958 62.100 -0.495 0.000 1.135 261 T CB -0.318 68.257 68.868 -0.489 0.000 0.890 261 T HN 0.481 nan 8.240 nan 0.000 0.480 262 K N 0.801 121.119 120.400 -0.136 0.000 2.103 262 K HA -0.068 4.263 4.320 0.018 0.000 0.204 262 K C 2.265 178.836 176.600 -0.049 0.000 1.052 262 K CA 1.421 57.670 56.287 -0.064 0.000 0.945 262 K CB -0.385 32.022 32.500 -0.155 0.000 0.722 262 K HN 0.346 nan 8.250 nan 0.000 0.443 263 T N 1.716 116.241 114.554 -0.049 0.000 2.708 263 T HA -0.122 4.238 4.350 0.018 0.000 0.266 263 T C 1.831 176.511 174.700 -0.033 0.000 1.037 263 T CA 1.481 63.566 62.100 -0.025 0.000 1.146 263 T CB -0.152 68.722 68.868 0.011 0.000 0.865 263 T HN 0.180 nan 8.240 nan 0.000 0.435 264 I N 0.567 121.121 120.570 -0.026 0.000 2.179 264 I HA -0.147 4.033 4.170 0.018 0.000 0.242 264 I C 2.439 178.433 176.117 -0.205 0.000 1.088 264 I CA 1.113 62.378 61.300 -0.059 0.000 1.357 264 I CB -0.394 37.618 38.000 0.020 0.000 1.051 264 I HN 0.198 nan 8.210 nan 0.000 0.409 265 L N 0.582 121.666 121.223 -0.232 0.000 1.970 265 L HA -0.275 4.075 4.340 0.018 0.000 0.212 265 L C 2.470 179.183 176.870 -0.263 0.000 1.071 265 L CA 1.811 56.420 54.840 -0.386 0.000 0.751 265 L CB -0.387 41.556 42.059 -0.195 0.000 0.889 265 L HN 0.274 nan 8.230 nan 0.000 0.432 266 E N -0.884 119.261 120.200 -0.091 0.000 2.333 266 E HA -0.267 4.093 4.350 0.018 0.000 0.198 266 E C 1.852 178.401 176.600 -0.085 0.000 1.007 266 E CA 0.854 57.226 56.400 -0.046 0.000 0.845 266 E CB 0.111 29.819 29.700 0.013 0.000 0.766 266 E HN 0.489 nan 8.360 nan 0.000 0.507 267 E N 0.374 120.505 120.200 -0.114 0.000 2.140 267 E HA -0.071 4.289 4.350 0.018 0.000 0.191 267 E C 1.766 178.287 176.600 -0.132 0.000 0.973 267 E CA 0.303 56.644 56.400 -0.097 0.000 0.829 267 E CB 0.243 29.900 29.700 -0.073 0.000 0.781 267 E HN 0.223 nan 8.360 nan 0.000 0.466 268 L N -0.068 121.027 121.223 -0.214 0.000 2.509 268 L HA 0.296 4.647 4.340 0.018 0.000 0.222 268 L C 1.128 177.853 176.870 -0.241 0.000 1.123 268 L CA 0.317 55.014 54.840 -0.238 0.000 0.856 268 L CB 0.590 42.442 42.059 -0.344 0.000 0.985 268 L HN 0.099 nan 8.230 nan 0.000 0.456 269 G N -1.041 107.610 108.800 -0.248 0.000 2.619 269 G HA2 0.348 4.319 3.960 0.018 0.000 0.305 269 G HA3 0.348 4.319 3.960 0.018 0.000 0.305 269 G C -1.383 173.418 174.900 -0.165 0.000 1.330 269 G CA -0.468 44.503 45.100 -0.214 0.000 0.789 269 G HN -0.185 nan 8.290 nan 0.000 0.487 270 E N 1.121 121.237 120.200 -0.140 0.000 2.042 270 E HA 0.313 4.674 4.350 0.018 0.000 0.260 270 E C -0.175 176.346 176.600 -0.132 0.000 0.975 270 E CA -0.314 56.030 56.400 -0.094 0.000 0.799 270 E CB 1.130 30.800 29.700 -0.049 0.000 1.131 270 E HN 0.234 nan 8.360 nan 0.000 0.423 271 I N 0.971 121.441 120.570 -0.167 0.000 2.607 271 I HA 0.560 4.740 4.170 0.018 0.000 0.305 271 I C 0.398 176.315 176.117 -0.335 0.000 0.995 271 I CA -1.228 59.884 61.300 -0.312 0.000 1.148 271 I CB 1.402 39.130 38.000 -0.453 0.000 1.323 271 I HN 0.204 nan 8.210 nan 0.000 0.461 272 A N 4.797 127.301 122.820 -0.526 0.000 2.355 272 A HA 0.806 5.137 4.320 0.018 0.000 0.317 272 A C -1.404 175.713 177.584 -0.779 0.000 1.094 272 A CA -0.394 51.383 52.037 -0.432 0.000 0.764 272 A CB 0.754 19.565 19.000 -0.315 0.000 1.230 272 A HN 0.422 nan 8.150 nan 0.000 0.448 273 F N 2.542 122.393 119.950 -0.164 0.000 2.325 273 F HA 0.430 4.968 4.527 0.018 0.000 0.369 273 F C -0.287 175.590 175.800 0.128 0.000 1.095 273 F CA -0.594 57.363 58.000 -0.072 0.000 1.082 273 F CB 0.834 39.838 39.000 0.006 0.000 1.289 273 F HN 0.524 nan 8.300 nan 0.000 0.462 274 W N 2.159 123.607 121.300 0.248 0.000 2.332 274 W HA 0.547 5.217 4.660 0.018 0.000 0.351 274 W C -0.283 176.354 176.519 0.197 0.000 1.195 274 W CA -1.478 55.992 57.345 0.209 0.000 1.334 274 W CB 0.758 30.340 29.460 0.204 0.000 1.206 274 W HN 0.230 nan 8.180 nan 0.000 0.637 275 K N 2.357 122.987 120.400 0.384 0.000 2.621 275 K HA 0.382 4.712 4.320 0.018 0.000 0.233 275 K C -0.692 176.009 176.600 0.167 0.000 0.972 275 K CA -0.509 55.922 56.287 0.240 0.000 0.988 275 K CB 0.862 33.470 32.500 0.179 0.000 1.187 275 K HN 0.159 nan 8.250 nan 0.000 0.471 276 L N 1.495 122.815 121.223 0.161 0.000 2.395 276 L HA 0.370 4.720 4.340 0.018 0.000 0.269 276 L C 0.784 177.691 176.870 0.060 0.000 1.133 276 L CA -0.607 54.281 54.840 0.080 0.000 0.812 276 L CB 1.018 43.119 42.059 0.070 0.000 1.125 276 L HN 0.595 nan 8.230 nan 0.000 0.452 277 A N 5.616 128.453 122.820 0.028 0.000 3.091 277 A HA 0.508 4.839 4.320 0.018 0.000 0.264 277 A C -0.009 177.600 177.584 0.041 0.000 1.673 277 A CA -0.212 51.841 52.037 0.027 0.000 1.362 277 A CB -1.019 17.983 19.000 0.003 0.000 1.137 277 A HN 0.647 nan 8.150 nan 0.000 0.617 278 I N -3.201 117.409 120.570 0.068 0.000 3.191 278 I HA 0.750 4.931 4.170 0.018 0.000 0.313 278 I C -0.952 175.228 176.117 0.106 0.000 1.193 278 I CA -1.264 60.101 61.300 0.109 0.000 0.968 278 I CB 2.429 40.520 38.000 0.152 0.000 1.262 278 I HN 0.083 nan 8.210 nan 0.000 0.456 279 K N 3.231 123.712 120.400 0.135 0.000 2.535 279 K HA 0.572 4.902 4.320 0.018 0.000 0.251 279 K C -2.988 173.698 176.600 0.144 0.000 0.942 279 K CA -1.562 54.790 56.287 0.109 0.000 0.798 279 K CB 3.000 35.539 32.500 0.066 0.000 1.267 279 K HN 0.464 nan 8.250 nan 0.000 0.434 280 P HA 0.312 nan 4.420 nan 0.000 0.276 280 P C 0.224 177.589 177.300 0.108 0.000 1.261 280 P CA 0.466 63.626 63.100 0.100 0.000 0.800 280 P CB 0.971 32.728 31.700 0.095 0.000 1.066 281 G N 0.145 109.011 108.800 0.110 0.000 2.482 281 G HA2 -0.102 3.869 3.960 0.018 0.000 0.214 281 G HA3 -0.102 3.869 3.960 0.018 0.000 0.214 281 G C 0.021 174.991 174.900 0.118 0.000 1.271 281 G CA 0.636 45.809 45.100 0.120 0.000 0.944 281 G HN 0.898 nan 8.290 nan 0.000 0.568 282 K N -2.262 118.218 120.400 0.135 0.000 1.614 282 K HA -0.050 4.281 4.320 0.018 0.000 0.138 282 K C -2.474 174.246 176.600 0.200 0.000 2.574 282 K CA 0.763 57.135 56.287 0.142 0.000 1.148 282 K CB -0.911 31.662 32.500 0.123 0.000 2.848 282 K HN 0.743 nan 8.250 nan 0.000 0.326 283 P HA 0.243 nan 4.420 nan 0.000 0.275 283 P C -1.030 176.483 177.300 0.356 0.000 1.228 283 P CA 0.409 63.667 63.100 0.263 0.000 0.786 283 P CB 0.451 32.275 31.700 0.206 0.000 0.927 284 F N 1.425 121.480 119.950 0.174 0.000 2.654 284 F HA 0.543 5.081 4.527 0.018 0.000 0.314 284 F C -1.792 174.017 175.800 0.015 0.000 1.116 284 F CA -0.539 57.530 58.000 0.115 0.000 1.017 284 F CB 1.441 40.539 39.000 0.164 0.000 1.285 284 F HN 0.477 nan 8.300 nan 0.000 0.448 285 A N 5.221 127.587 122.820 -0.756 0.000 2.330 285 A HA 0.847 5.177 4.320 0.018 0.000 0.327 285 A C -2.120 174.901 177.584 -0.938 0.000 1.155 285 A CA -0.512 51.077 52.037 -0.747 0.000 0.803 285 A CB 0.958 19.692 19.000 -0.444 0.000 1.208 285 A HN 0.847 nan 8.150 nan 0.000 0.477 286 F N 1.303 120.712 119.950 -0.902 0.000 2.608 286 F HA 0.702 5.240 4.527 0.018 0.000 0.309 286 F C 0.123 175.699 175.800 -0.373 0.000 1.103 286 F CA 0.625 58.252 58.000 -0.620 0.000 0.954 286 F CB 1.975 40.618 39.000 -0.595 0.000 1.267 286 F HN 1.159 nan 8.300 nan 0.000 0.444 287 G N 3.839 112.040 108.800 -0.998 0.000 2.340 287 G HA2 0.339 4.309 3.960 0.018 0.000 0.299 287 G HA3 0.339 4.309 3.960 0.018 0.000 0.299 287 G C -2.331 172.378 174.900 -0.318 0.000 1.291 287 G CA -1.070 43.696 45.100 -0.557 0.000 0.841 287 G HN 0.697 nan 8.290 nan 0.000 0.500 288 K N 0.273 120.589 120.400 -0.139 0.000 2.274 288 K HA 0.721 5.051 4.320 0.018 0.000 0.262 288 K C -0.388 176.092 176.600 -0.200 0.000 0.961 288 K CA -0.672 55.521 56.287 -0.158 0.000 0.833 288 K CB 1.137 33.545 32.500 -0.152 0.000 1.102 288 K HN 0.415 nan 8.250 nan 0.000 0.436 289 L N 1.766 122.858 121.223 -0.220 0.000 2.492 289 L HA 0.276 4.627 4.340 0.018 0.000 0.263 289 L C 1.567 178.318 176.870 -0.197 0.000 1.062 289 L CA -0.643 54.084 54.840 -0.188 0.000 0.817 289 L CB 1.461 43.448 42.059 -0.120 0.000 1.441 289 L HN 0.764 nan 8.230 nan 0.000 0.493 290 S N 0.071 115.682 115.700 -0.148 0.000 2.383 290 S HA -0.106 4.375 4.470 0.018 0.000 0.229 290 S C 0.878 175.388 174.600 -0.150 0.000 1.030 290 S CA 1.352 59.473 58.200 -0.131 0.000 1.002 290 S CB -0.174 62.972 63.200 -0.090 0.000 0.829 290 S HN 0.586 nan 8.310 nan 0.000 0.467 291 N N 0.311 118.919 118.700 -0.152 0.000 2.232 291 N HA 0.169 4.919 4.740 0.018 0.000 0.240 291 N C -0.745 174.641 175.510 -0.207 0.000 1.307 291 N CA 0.215 53.169 53.050 -0.161 0.000 0.859 291 N CB 1.281 39.714 38.487 -0.091 0.000 1.260 291 N HN 0.419 nan 8.380 nan 0.000 0.501 292 S N -1.097 114.432 115.700 -0.285 0.000 2.636 292 S HA 0.540 5.020 4.470 0.018 0.000 0.268 292 S C -1.844 172.523 174.600 -0.390 0.000 1.159 292 S CA -0.954 57.063 58.200 -0.305 0.000 0.815 292 S CB 1.237 64.395 63.200 -0.070 0.000 1.130 292 S HN 0.178 nan 8.310 nan 0.000 0.471 293 W N 0.802 122.100 121.300 -0.004 0.000 2.438 293 W HA 0.705 5.376 4.660 0.018 0.000 0.324 293 W C -0.464 176.038 176.519 -0.027 0.000 1.119 293 W CA -0.599 56.697 57.345 -0.081 0.000 1.221 293 W CB 1.017 30.460 29.460 -0.028 0.000 1.253 293 W HN 0.609 nan 8.180 nan 0.000 0.555 294 F N 2.817 122.717 119.950 -0.083 0.000 2.480 294 F HA 0.671 5.208 4.527 0.018 0.000 0.329 294 F C -0.779 174.931 175.800 -0.151 0.000 1.091 294 F CA -1.444 56.492 58.000 -0.107 0.000 0.972 294 F CB 0.889 39.802 39.000 -0.145 0.000 1.150 294 F HN 0.208 nan 8.300 nan 0.000 0.467 295 C N 4.083 122.739 119.300 -1.073 0.000 2.381 295 C HA 0.722 5.193 4.460 0.018 0.000 0.328 295 C C 0.248 174.435 174.990 -1.338 0.000 1.190 295 C CA -0.938 57.536 59.018 -0.907 0.000 1.369 295 C CB 0.594 28.200 27.740 -0.224 0.000 2.029 295 C HN 1.071 nan 8.230 nan 0.000 0.448 296 G N 3.919 111.954 108.800 -1.274 0.000 2.437 296 G HA2 0.622 4.593 3.960 0.018 0.000 0.315 296 G HA3 0.622 4.593 3.960 0.018 0.000 0.315 296 G C -0.650 174.026 174.900 -0.373 0.000 1.210 296 G CA -0.282 44.402 45.100 -0.693 0.000 0.943 296 G HN 0.704 nan 8.290 nan 0.000 0.471 297 L N 3.788 124.932 121.223 -0.132 0.000 2.379 297 L HA 0.466 4.817 4.340 0.018 0.000 0.269 297 L C -1.592 175.330 176.870 0.087 0.000 1.084 297 L CA -1.997 52.883 54.840 0.066 0.000 0.802 297 L CB 1.657 43.783 42.059 0.112 0.000 1.175 297 L HN 0.329 nan 8.230 nan 0.000 0.448 298 P HA 0.052 nan 4.420 nan 0.000 0.274 298 P C 0.373 177.739 177.300 0.109 0.000 1.256 298 P CA -0.310 62.869 63.100 0.132 0.000 0.795 298 P CB 0.822 32.617 31.700 0.159 0.000 1.038 299 G N 0.511 109.370 108.800 0.099 0.000 2.408 299 G HA2 -0.150 3.820 3.960 0.018 0.000 0.215 299 G HA3 -0.150 3.820 3.960 0.018 0.000 0.215 299 G C 0.753 175.709 174.900 0.093 0.000 1.156 299 G CA 0.212 45.363 45.100 0.085 0.000 0.793 299 G HN 0.633 nan 8.290 nan 0.000 0.535 300 N N 1.448 120.216 118.700 0.113 0.000 2.454 300 N HA 0.116 4.867 4.740 0.018 0.000 0.260 300 N C -0.601 175.003 175.510 0.157 0.000 1.218 300 N CA -1.087 52.042 53.050 0.131 0.000 0.904 300 N CB 1.490 40.063 38.487 0.143 0.000 1.065 300 N HN -0.079 nan 8.380 nan 0.000 0.462 301 P HA -0.213 nan 4.420 nan 0.000 0.216 301 P C 1.147 178.689 177.300 0.405 0.000 1.153 301 P CA 1.175 64.393 63.100 0.196 0.000 0.858 301 P CB 0.134 31.888 31.700 0.090 0.000 0.789 302 V N 0.480 120.648 119.914 0.423 0.000 2.295 302 V HA -0.193 3.938 4.120 0.018 0.000 0.246 302 V C 2.818 179.104 176.094 0.321 0.000 1.049 302 V CA 2.385 64.938 62.300 0.423 0.000 1.024 302 V CB -1.574 30.388 31.823 0.231 0.000 0.648 302 V HN 0.163 nan 8.190 nan 0.000 0.447 303 S N 0.118 115.959 115.700 0.234 0.000 2.368 303 S HA -0.178 4.302 4.470 0.018 0.000 0.225 303 S C 2.227 176.950 174.600 0.204 0.000 1.030 303 S CA 1.486 59.801 58.200 0.192 0.000 0.999 303 S CB -0.511 62.788 63.200 0.165 0.000 0.844 303 S HN 0.653 nan 8.310 nan 0.000 0.459 304 A N 1.183 124.130 122.820 0.212 0.000 1.877 304 A HA -0.119 4.212 4.320 0.018 0.000 0.216 304 A C 2.354 180.083 177.584 0.242 0.000 1.186 304 A CA 2.117 54.276 52.037 0.204 0.000 0.620 304 A CB -1.378 17.712 19.000 0.149 0.000 0.822 304 A HN 0.476 nan 8.150 nan 0.000 0.443 305 T N 0.374 115.088 114.554 0.267 0.000 2.746 305 T HA -0.099 4.261 4.350 0.018 0.000 0.267 305 T C 1.867 176.755 174.700 0.313 0.000 1.039 305 T CA 1.237 63.500 62.100 0.271 0.000 1.142 305 T CB -0.304 68.712 68.868 0.247 0.000 0.866 305 T HN 0.299 nan 8.240 nan 0.000 0.444 306 L N 1.223 122.615 121.223 0.282 0.000 1.994 306 L HA -0.120 4.231 4.340 0.018 0.000 0.208 306 L C 2.379 179.284 176.870 0.059 0.000 1.071 306 L CA 2.041 56.968 54.840 0.145 0.000 0.745 306 L CB -1.605 40.493 42.059 0.064 0.000 0.892 306 L HN 0.264 nan 8.230 nan 0.000 0.431 307 T N 0.251 114.856 114.554 0.084 0.000 2.665 307 T HA -0.275 4.085 4.350 0.018 0.000 0.268 307 T C 1.623 176.358 174.700 0.059 0.000 1.035 307 T CA 2.071 64.186 62.100 0.025 0.000 1.151 307 T CB -0.546 68.408 68.868 0.143 0.000 0.862 307 T HN 0.442 nan 8.240 nan 0.000 0.438 308 F N 0.446 120.435 119.950 0.066 0.000 2.102 308 F HA -0.111 4.427 4.527 0.018 0.000 0.298 308 F C 2.169 177.993 175.800 0.040 0.000 1.105 308 F CA 1.056 59.094 58.000 0.064 0.000 1.239 308 F CB -0.547 38.500 39.000 0.078 0.000 0.991 308 F HN 0.157 nan 8.300 nan 0.000 0.474 309 Y N 0.933 121.325 120.300 0.154 0.000 2.128 309 Y HA -0.259 4.302 4.550 0.018 0.000 0.284 309 Y C 2.426 178.231 175.900 -0.158 0.000 1.154 309 Y CA 2.146 60.272 58.100 0.043 0.000 1.149 309 Y CB -0.319 38.243 38.460 0.171 0.000 0.976 309 Y HN 0.119 nan 8.280 nan 0.000 0.505 310 Q N -0.782 118.980 119.800 -0.063 0.000 2.331 310 Q HA 0.054 4.405 4.340 0.018 0.000 0.203 310 Q C 1.897 177.729 176.000 -0.280 0.000 0.944 310 Q CA 0.917 56.586 55.803 -0.223 0.000 0.892 310 Q CB 0.586 29.080 28.738 -0.407 0.000 0.983 310 Q HN 0.537 nan 8.270 nan 0.000 0.482 311 L N -1.481 119.548 121.223 -0.324 0.000 2.588 311 L HA 0.067 4.418 4.340 0.018 0.000 0.194 311 L C 2.080 178.747 176.870 -0.338 0.000 1.070 311 L CA 0.231 54.854 54.840 -0.361 0.000 0.852 311 L CB -0.121 41.614 42.059 -0.540 0.000 1.199 311 L HN -0.137 nan 8.230 nan 0.000 0.486 312 V N 0.231 119.911 119.914 -0.389 0.000 2.427 312 V HA -0.293 3.837 4.120 0.018 0.000 0.248 312 V C 2.349 178.105 176.094 -0.565 0.000 1.051 312 V CA 1.949 63.974 62.300 -0.459 0.000 1.048 312 V CB -0.618 30.802 31.823 -0.673 0.000 0.666 312 V HN 0.485 nan 8.190 nan 0.000 0.456 313 Q N 0.615 119.994 119.800 -0.701 0.000 2.030 313 Q HA -0.181 4.169 4.340 0.018 0.000 0.204 313 Q C 0.071 175.881 176.000 -0.317 0.000 0.986 313 Q CA 2.637 58.131 55.803 -0.515 0.000 0.843 313 Q CB -0.995 27.434 28.738 -0.515 0.000 0.904 313 Q HN 0.549 nan 8.270 nan 0.000 0.420 314 P HA -0.175 nan 4.420 nan 0.000 0.217 314 P C 1.497 178.692 177.300 -0.175 0.000 1.150 314 P CA 0.936 63.913 63.100 -0.204 0.000 0.832 314 P CB -0.150 31.434 31.700 -0.193 0.000 0.787 315 L N -0.255 120.853 121.223 -0.192 0.000 2.042 315 L HA -0.128 4.223 4.340 0.018 0.000 0.210 315 L C 2.505 179.310 176.870 -0.108 0.000 1.076 315 L CA 1.731 56.478 54.840 -0.154 0.000 0.749 315 L CB -1.456 40.517 42.059 -0.144 0.000 0.893 315 L HN -0.193 nan 8.230 nan 0.000 0.432 316 L N -0.618 120.537 121.223 -0.114 0.000 2.141 316 L HA -0.133 4.218 4.340 0.018 0.000 0.209 316 L C 2.684 179.518 176.870 -0.059 0.000 1.094 316 L CA 0.930 55.731 54.840 -0.065 0.000 0.763 316 L CB -0.956 41.061 42.059 -0.070 0.000 0.908 316 L HN 0.398 nan 8.230 nan 0.000 0.437 317 A N 0.354 123.122 122.820 -0.088 0.000 1.877 317 A HA -0.266 4.065 4.320 0.018 0.000 0.216 317 A C 2.419 179.971 177.584 -0.055 0.000 1.186 317 A CA 2.053 54.046 52.037 -0.073 0.000 0.620 317 A CB -0.453 18.492 19.000 -0.091 0.000 0.822 317 A HN 0.327 nan 8.150 nan 0.000 0.443 318 K N -0.336 120.027 120.400 -0.062 0.000 2.026 318 K HA -0.081 4.250 4.320 0.018 0.000 0.208 318 K C 1.936 178.524 176.600 -0.020 0.000 1.048 318 K CA 1.411 57.671 56.287 -0.046 0.000 0.929 318 K CB -0.346 32.117 32.500 -0.061 0.000 0.713 318 K HN 0.464 nan 8.250 nan 0.000 0.439 319 L N 1.206 122.423 121.223 -0.010 0.000 2.081 319 L HA -0.221 4.130 4.340 0.018 0.000 0.212 319 L C 2.599 179.483 176.870 0.024 0.000 1.080 319 L CA 1.711 56.567 54.840 0.028 0.000 0.754 319 L CB -0.641 41.450 42.059 0.054 0.000 0.893 319 L HN 0.393 nan 8.230 nan 0.000 0.433 320 S N -0.600 115.103 115.700 0.005 0.000 2.442 320 S HA -0.070 4.411 4.470 0.018 0.000 0.236 320 S C 1.636 176.235 174.600 -0.002 0.000 1.007 320 S CA 0.919 59.119 58.200 0.001 0.000 0.965 320 S CB -0.098 63.095 63.200 -0.012 0.000 0.773 320 S HN 0.621 nan 8.310 nan 0.000 0.504 321 G N 1.207 110.004 108.800 -0.005 0.000 2.176 321 G HA2 -0.266 3.704 3.960 0.018 0.000 0.232 321 G HA3 -0.266 3.704 3.960 0.018 0.000 0.232 321 G C -0.116 174.775 174.900 -0.015 0.000 0.986 321 G CA -0.029 45.068 45.100 -0.005 0.000 0.643 321 G HN 0.745 nan 8.290 nan 0.000 0.522 322 N N 0.943 119.628 118.700 -0.024 0.000 2.468 322 N HA 0.339 5.089 4.740 0.018 0.000 0.265 322 N C 1.691 177.184 175.510 -0.028 0.000 1.199 322 N CA 0.735 53.766 53.050 -0.032 0.000 0.928 322 N CB 0.443 38.905 38.487 -0.041 0.000 1.059 322 N HN 0.302 nan 8.380 nan 0.000 0.467 323 T N 0.564 115.104 114.554 -0.024 0.000 3.086 323 T HA 0.257 4.618 4.350 0.018 0.000 0.250 323 T C 0.762 175.451 174.700 -0.019 0.000 1.074 323 T CA -0.522 61.567 62.100 -0.018 0.000 0.988 323 T CB 0.175 69.038 68.868 -0.009 0.000 0.988 323 T HN 0.467 nan 8.240 nan 0.000 0.530 324 A N 1.701 124.506 122.820 -0.025 0.000 2.386 324 A HA 0.551 4.882 4.320 0.018 0.000 0.246 324 A C 0.801 178.370 177.584 -0.024 0.000 1.089 324 A CA -0.491 51.532 52.037 -0.023 0.000 0.790 324 A CB -0.144 18.839 19.000 -0.028 0.000 1.042 324 A HN 0.451 nan 8.150 nan 0.000 0.497 325 S N -0.526 115.162 115.700 -0.019 0.000 2.553 325 S HA 0.267 4.748 4.470 0.018 0.000 0.293 325 S C 0.917 175.500 174.600 -0.028 0.000 1.296 325 S CA 0.700 58.889 58.200 -0.019 0.000 1.046 325 S CB 0.392 63.586 63.200 -0.011 0.000 0.810 325 S HN 1.271 nan 8.310 nan 0.000 0.505 326 G N 1.400 110.181 108.800 -0.032 0.000 4.975 326 G HA2 0.505 4.476 3.960 0.018 0.000 0.312 326 G HA3 0.505 4.476 3.960 0.018 0.000 0.312 326 G C -0.882 173.996 174.900 -0.036 0.000 1.425 326 G CA -0.164 44.910 45.100 -0.044 0.000 1.076 326 G HN 0.457 nan 8.290 nan 0.000 0.586 327 L N 1.319 122.529 121.223 -0.021 0.000 2.404 327 L HA 0.515 4.865 4.340 0.018 0.000 0.272 327 L C -2.260 174.617 176.870 0.012 0.000 0.980 327 L CA -1.477 53.359 54.840 -0.007 0.000 0.836 327 L CB 2.380 44.437 42.059 -0.003 0.000 1.238 327 L HN 0.009 nan 8.230 nan 0.000 0.408 328 P HA 0.279 nan 4.420 nan 0.000 0.265 328 P C -0.940 176.408 177.300 0.080 0.000 1.193 328 P CA -0.237 62.904 63.100 0.068 0.000 0.765 328 P CB 0.747 32.507 31.700 0.100 0.000 0.823 329 A N 4.256 127.135 122.820 0.099 0.000 2.347 329 A HA 0.402 4.732 4.320 0.018 0.000 0.287 329 A C 0.295 177.947 177.584 0.113 0.000 1.199 329 A CA -0.180 51.911 52.037 0.091 0.000 0.851 329 A CB -0.086 18.967 19.000 0.088 0.000 1.118 329 A HN 0.528 nan 8.150 nan 0.000 0.525 330 R N 0.943 121.495 120.500 0.088 0.000 2.912 330 R HA 0.699 5.050 4.340 0.018 0.000 0.262 330 R C -0.929 175.410 176.300 0.065 0.000 1.057 330 R CA -0.767 55.388 56.100 0.091 0.000 0.981 330 R CB 1.972 32.324 30.300 0.087 0.000 1.201 330 R HN 0.913 nan 8.270 nan 0.000 0.484 331 Q N 0.258 120.098 119.800 0.066 0.000 2.472 331 Q HA 0.383 4.733 4.340 0.018 0.000 0.281 331 Q C -1.473 174.571 176.000 0.073 0.000 0.997 331 Q CA -1.284 54.553 55.803 0.057 0.000 0.828 331 Q CB 2.148 30.922 28.738 0.060 0.000 1.443 331 Q HN 0.626 nan 8.270 nan 0.000 0.390 332 R N 0.295 120.842 120.500 0.078 0.000 2.346 332 R HA 0.733 5.083 4.340 0.018 0.000 0.311 332 R C -0.388 176.089 176.300 0.295 0.000 0.983 332 R CA -0.526 55.663 56.100 0.148 0.000 0.880 332 R CB 1.618 31.969 30.300 0.084 0.000 1.100 332 R HN 0.597 nan 8.270 nan 0.000 0.453 333 V N -0.421 119.684 119.914 0.319 0.000 3.158 333 V HA 0.636 4.766 4.120 0.018 0.000 0.311 333 V C -0.582 175.582 176.094 0.116 0.000 1.181 333 V CA -1.510 60.960 62.300 0.282 0.000 1.054 333 V CB 2.129 34.014 31.823 0.103 0.000 1.085 333 V HN 0.787 nan 8.190 nan 0.000 0.446 334 R N 0.854 121.209 120.500 -0.241 0.000 2.457 334 R HA 0.525 4.875 4.340 0.018 0.000 0.284 334 R C -0.062 176.102 176.300 -0.227 0.000 1.024 334 R CA -0.192 55.625 56.100 -0.472 0.000 1.025 334 R CB 1.493 31.372 30.300 -0.701 0.000 1.063 334 R HN 0.947 nan 8.270 nan 0.000 0.493 335 T N -0.460 113.981 114.554 -0.188 0.000 2.922 335 T HA 0.414 4.774 4.350 0.018 0.000 0.285 335 T C 0.633 175.257 174.700 -0.127 0.000 1.005 335 T CA -0.250 61.777 62.100 -0.121 0.000 1.061 335 T CB 1.160 69.976 68.868 -0.086 0.000 1.007 335 T HN 0.627 nan 8.240 nan 0.000 0.502 336 A N 2.907 125.668 122.820 -0.099 0.000 2.431 336 A HA 0.550 4.880 4.320 0.018 0.000 0.239 336 A C 0.680 178.222 177.584 -0.070 0.000 1.230 336 A CA -0.320 51.664 52.037 -0.089 0.000 0.928 336 A CB 0.315 19.267 19.000 -0.080 0.000 1.006 336 A HN 0.646 nan 8.150 nan 0.000 0.520 337 S N -0.457 115.203 115.700 -0.066 0.000 2.566 337 S HA 0.536 5.017 4.470 0.018 0.000 0.298 337 S C -0.238 174.333 174.600 -0.049 0.000 1.083 337 S CA -0.701 57.468 58.200 -0.053 0.000 0.978 337 S CB 1.701 64.871 63.200 -0.050 0.000 1.073 337 S HN 0.487 nan 8.310 nan 0.000 0.491 338 R N 2.016 122.493 120.500 -0.039 0.000 2.234 338 R HA 0.436 4.787 4.340 0.018 0.000 0.324 338 R C -1.255 175.027 176.300 -0.030 0.000 1.054 338 R CA -0.287 55.793 56.100 -0.033 0.000 0.912 338 R CB 0.003 30.287 30.300 -0.026 0.000 1.030 338 R HN 0.549 nan 8.270 nan 0.000 0.455 339 L N 4.131 125.336 121.223 -0.031 0.000 2.309 339 L HA 0.439 4.790 4.340 0.018 0.000 0.282 339 L C -0.165 176.691 176.870 -0.023 0.000 1.036 339 L CA -1.023 53.800 54.840 -0.029 0.000 0.806 339 L CB 1.519 43.558 42.059 -0.034 0.000 1.220 339 L HN 0.351 nan 8.230 nan 0.000 0.429 340 K N 2.878 123.266 120.400 -0.021 0.000 2.262 340 K HA 0.391 4.722 4.320 0.018 0.000 0.282 340 K C -0.702 175.887 176.600 -0.019 0.000 1.066 340 K CA -0.312 55.966 56.287 -0.014 0.000 0.901 340 K CB 0.838 33.335 32.500 -0.005 0.000 1.089 340 K HN 0.276 nan 8.250 nan 0.000 0.476 341 K N 1.169 121.559 120.400 -0.016 0.000 2.464 341 K HA 0.475 4.805 4.320 0.018 0.000 0.253 341 K C -1.267 175.325 176.600 -0.013 0.000 0.933 341 K CA -0.392 55.883 56.287 -0.019 0.000 0.801 341 K CB 1.586 34.070 32.500 -0.027 0.000 1.271 341 K HN 0.403 nan 8.250 nan 0.000 0.430 342 T N 5.485 120.032 114.554 -0.011 0.000 2.824 342 T HA 0.512 4.873 4.350 0.018 0.000 0.280 342 T C -2.596 172.098 174.700 -0.010 0.000 0.995 342 T CA -1.498 60.598 62.100 -0.006 0.000 1.009 342 T CB 1.531 70.400 68.868 0.001 0.000 0.955 342 T HN 0.432 nan 8.240 nan 0.000 0.452 343 P HA 0.395 nan 4.420 nan 0.000 0.275 343 P C 0.890 178.186 177.300 -0.007 0.000 1.227 343 P CA 0.427 63.521 63.100 -0.011 0.000 0.781 343 P CB 0.697 32.392 31.700 -0.008 0.000 0.906 344 G N 1.965 110.759 108.800 -0.011 0.000 2.255 344 G HA2 -0.153 3.817 3.960 0.018 0.000 0.196 344 G HA3 -0.153 3.817 3.960 0.018 0.000 0.196 344 G C 0.036 174.933 174.900 -0.005 0.000 0.998 344 G CA -0.514 44.583 45.100 -0.006 0.000 0.656 344 G HN 0.552 nan 8.290 nan 0.000 0.490 345 R N -0.621 119.873 120.500 -0.010 0.000 2.604 345 R HA 0.581 4.932 4.340 0.018 0.000 0.281 345 R C -1.016 175.264 176.300 -0.033 0.000 1.020 345 R CA -0.905 55.192 56.100 -0.006 0.000 0.899 345 R CB 2.115 32.423 30.300 0.015 0.000 1.205 345 R HN 0.173 nan 8.270 nan 0.000 0.450 346 L N 2.719 123.916 121.223 -0.043 0.000 2.385 346 L HA 0.171 4.521 4.340 0.018 0.000 0.281 346 L C -0.514 176.274 176.870 -0.136 0.000 1.106 346 L CA 0.475 55.235 54.840 -0.132 0.000 0.856 346 L CB 0.344 42.318 42.059 -0.141 0.000 1.186 346 L HN 0.472 nan 8.230 nan 0.000 0.453 347 D N 5.027 125.320 120.400 -0.180 0.000 2.396 347 D HA 0.116 4.766 4.640 0.018 0.000 0.225 347 D C -0.710 175.485 176.300 -0.174 0.000 1.121 347 D CA -0.224 53.715 54.000 -0.101 0.000 0.853 347 D CB 0.379 41.144 40.800 -0.059 0.000 1.043 347 D HN 0.349 nan 8.370 nan 0.000 0.500 348 F N 3.113 123.035 119.950 -0.046 0.000 2.626 348 F HA 0.153 4.691 4.527 0.018 0.000 0.353 348 F C 1.428 177.265 175.800 0.062 0.000 1.230 348 F CA -0.347 57.620 58.000 -0.056 0.000 1.298 348 F CB 0.075 38.924 39.000 -0.250 0.000 1.670 348 F HN 0.106 nan 8.300 nan 0.000 0.633 349 Q N 1.186 121.076 119.800 0.150 0.000 2.394 349 Q HA 0.336 4.687 4.340 0.018 0.000 0.248 349 Q C 0.080 176.174 176.000 0.158 0.000 0.992 349 Q CA -0.355 55.506 55.803 0.097 0.000 0.888 349 Q CB 0.976 29.718 28.738 0.007 0.000 1.257 349 Q HN 0.430 nan 8.270 nan 0.000 0.462 350 R N -0.047 120.457 120.500 0.007 0.000 2.428 350 R HA 0.667 5.018 4.340 0.018 0.000 0.294 350 R C -0.156 176.053 176.300 -0.151 0.000 1.000 350 R CA -0.077 55.960 56.100 -0.105 0.000 0.960 350 R CB 1.588 31.730 30.300 -0.264 0.000 1.076 350 R HN 0.732 nan 8.270 nan 0.000 0.475 351 G N 0.039 108.709 108.800 -0.217 0.000 2.788 351 G HA2 0.545 4.516 3.960 0.018 0.000 0.293 351 G HA3 0.545 4.516 3.960 0.018 0.000 0.293 351 G C -1.626 173.129 174.900 -0.242 0.000 1.392 351 G CA -0.567 44.421 45.100 -0.187 0.000 0.810 351 G HN 0.345 nan 8.290 nan 0.000 0.508 352 V N 0.449 120.258 119.914 -0.175 0.000 2.444 352 V HA 0.526 4.657 4.120 0.018 0.000 0.294 352 V C -0.683 175.335 176.094 -0.128 0.000 1.022 352 V CA -0.643 61.556 62.300 -0.167 0.000 0.850 352 V CB 1.266 33.013 31.823 -0.127 0.000 0.992 352 V HN 0.638 nan 8.190 nan 0.000 0.426 353 L N 5.760 126.905 121.223 -0.131 0.000 2.307 353 L HA 0.727 5.078 4.340 0.018 0.000 0.282 353 L C -0.082 176.747 176.870 -0.068 0.000 1.051 353 L CA 0.635 55.422 54.840 -0.089 0.000 0.804 353 L CB 1.371 43.381 42.059 -0.083 0.000 1.197 353 L HN 0.927 nan 8.230 nan 0.000 0.431 354 Q N 3.455 123.225 119.800 -0.051 0.000 2.575 354 Q HA 0.518 4.869 4.340 0.018 0.000 0.290 354 Q C -1.244 174.739 176.000 -0.030 0.000 0.963 354 Q CA -1.146 54.633 55.803 -0.039 0.000 0.783 354 Q CB 1.264 29.977 28.738 -0.042 0.000 1.467 354 Q HN 0.454 nan 8.270 nan 0.000 0.402 355 R N 1.302 121.789 120.500 -0.022 0.000 2.438 355 R HA 0.217 4.568 4.340 0.018 0.000 0.287 355 R C -0.349 175.938 176.300 -0.022 0.000 1.077 355 R CA -0.205 55.885 56.100 -0.017 0.000 1.034 355 R CB 0.194 30.488 30.300 -0.010 0.000 0.993 355 R HN 0.674 nan 8.270 nan 0.000 0.459 356 N N 1.229 119.915 118.700 -0.023 0.000 2.445 356 N HA 0.128 4.878 4.740 0.018 0.000 0.264 356 N C 0.584 176.083 175.510 -0.020 0.000 1.227 356 N CA -0.280 52.753 53.050 -0.027 0.000 0.963 356 N CB 0.644 39.110 38.487 -0.035 0.000 1.188 356 N HN 0.516 nan 8.380 nan 0.000 0.491 357 A N -0.482 122.326 122.820 -0.020 0.000 2.131 357 A HA -0.209 4.121 4.320 0.018 0.000 0.220 357 A C 1.505 179.082 177.584 -0.011 0.000 1.158 357 A CA 1.694 53.722 52.037 -0.015 0.000 0.665 357 A CB -0.851 18.139 19.000 -0.015 0.000 0.795 357 A HN 0.826 nan 8.150 nan 0.000 0.460 358 D N -2.316 118.076 120.400 -0.013 0.000 2.323 358 D HA 0.213 4.864 4.640 0.018 0.000 0.209 358 D C 1.403 177.702 176.300 -0.002 0.000 0.973 358 D CA 1.596 55.591 54.000 -0.008 0.000 0.874 358 D CB 0.073 40.866 40.800 -0.011 0.000 0.930 358 D HN 0.500 nan 8.370 nan 0.000 0.521 359 G N -0.285 108.513 108.800 -0.003 0.000 2.278 359 G HA2 -0.199 3.771 3.960 0.018 0.000 0.210 359 G HA3 -0.199 3.771 3.960 0.018 0.000 0.210 359 G C 0.316 175.219 174.900 0.006 0.000 1.000 359 G CA -0.059 45.042 45.100 0.002 0.000 0.635 359 G HN 0.382 nan 8.290 nan 0.000 0.495 360 E N -0.034 120.170 120.200 0.006 0.000 2.239 360 E HA 0.665 5.026 4.350 0.018 0.000 0.261 360 E C 0.165 176.767 176.600 0.003 0.000 1.016 360 E CA -0.837 55.572 56.400 0.015 0.000 0.882 360 E CB 1.449 31.168 29.700 0.032 0.000 1.190 360 E HN 0.241 nan 8.360 nan 0.000 0.415 361 L N 1.671 122.902 121.223 0.014 0.000 2.417 361 L HA 0.233 4.584 4.340 0.018 0.000 0.268 361 L C 0.290 177.149 176.870 -0.017 0.000 1.158 361 L CA 0.311 55.152 54.840 0.001 0.000 0.819 361 L CB 0.288 42.356 42.059 0.015 0.000 1.112 361 L HN 0.617 nan 8.230 nan 0.000 0.458 362 E N 1.287 121.465 120.200 -0.038 0.000 2.390 362 E HA 0.580 4.941 4.350 0.018 0.000 0.280 362 E C -1.796 174.767 176.600 -0.062 0.000 0.992 362 E CA -0.882 55.479 56.400 -0.065 0.000 0.790 362 E CB 2.432 32.080 29.700 -0.087 0.000 1.248 362 E HN 0.236 nan 8.360 nan 0.000 0.447 363 V N 1.276 121.149 119.914 -0.069 0.000 2.815 363 V HA 0.742 4.872 4.120 0.018 0.000 0.314 363 V C -0.735 175.315 176.094 -0.075 0.000 1.064 363 V CA 0.280 62.537 62.300 -0.071 0.000 0.952 363 V CB 2.052 33.837 31.823 -0.064 0.000 1.020 363 V HN 0.964 nan 8.190 nan 0.000 0.439 364 T N 1.311 115.818 114.554 -0.079 0.000 2.916 364 T HA 0.510 4.870 4.350 0.018 0.000 0.292 364 T C -0.135 174.517 174.700 -0.080 0.000 1.055 364 T CA -0.337 61.719 62.100 -0.073 0.000 1.009 364 T CB 1.597 70.426 68.868 -0.066 0.000 1.118 364 T HN 0.830 nan 8.240 nan 0.000 0.497 365 T N 0.473 114.985 114.554 -0.070 0.000 2.868 365 T HA 0.327 4.687 4.350 0.018 0.000 0.292 365 T C 1.730 176.380 174.700 -0.082 0.000 1.028 365 T CA 0.355 62.410 62.100 -0.076 0.000 1.059 365 T CB 0.383 69.215 68.868 -0.059 0.000 0.991 365 T HN 0.937 nan 8.240 nan 0.000 0.531 366 T N 0.464 114.959 114.554 -0.099 0.000 3.043 366 T HA 0.462 4.823 4.350 0.018 0.000 0.263 366 T C 1.274 175.935 174.700 -0.066 0.000 1.094 366 T CA 0.595 62.635 62.100 -0.100 0.000 1.127 366 T CB -0.236 68.547 68.868 -0.141 0.000 0.905 366 T HN 1.154 nan 8.240 nan 0.000 0.490 367 G N 0.780 109.549 108.800 -0.051 0.000 2.217 367 G HA2 0.049 4.019 3.960 0.018 0.000 0.126 367 G HA3 0.049 4.019 3.960 0.018 0.000 0.126 367 G C -1.091 173.821 174.900 0.019 0.000 1.293 367 G CA -0.483 44.614 45.100 -0.005 0.000 1.219 367 G HN 0.668 nan 8.290 nan 0.000 0.477 368 H N 1.884 120.937 119.070 -0.027 0.000 2.767 368 H HA 0.565 5.132 4.556 0.018 0.000 0.316 368 H C 0.959 176.271 175.328 -0.026 0.000 1.059 368 H CA 0.311 56.358 56.048 -0.002 0.000 1.461 368 H CB 1.094 30.882 29.762 0.043 0.000 1.475 368 H HN 0.285 nan 8.280 nan 0.000 0.531 369 Q N 4.044 123.522 119.800 -0.538 0.000 2.225 369 Q HA 0.180 4.531 4.340 0.018 0.000 0.222 369 Q C 0.586 176.349 176.000 -0.395 0.000 0.887 369 Q CA 0.221 55.798 55.803 -0.375 0.000 0.958 369 Q CB 0.237 28.838 28.738 -0.229 0.000 1.058 369 Q HN 0.815 nan 8.270 nan 0.000 0.459 370 G N 0.737 109.198 108.800 -0.566 0.000 2.594 370 G HA2 0.155 4.126 3.960 0.018 0.000 0.243 370 G HA3 0.155 4.126 3.960 0.018 0.000 0.243 370 G C 0.837 175.762 174.900 0.043 0.000 1.229 370 G CA 0.017 45.148 45.100 0.051 0.000 0.843 370 G HN 0.303 nan 8.290 nan 0.000 0.578 371 S N -0.143 115.674 115.700 0.196 0.000 2.528 371 S HA -0.070 4.410 4.470 0.018 0.000 0.219 371 S C 1.734 176.427 174.600 0.155 0.000 0.985 371 S CA 0.741 59.018 58.200 0.128 0.000 0.914 371 S CB -0.294 62.993 63.200 0.146 0.000 0.776 371 S HN 0.821 nan 8.310 nan 0.000 0.526 372 H N 2.397 121.540 119.070 0.121 0.000 2.560 372 H HA 0.241 4.807 4.556 0.018 0.000 0.283 372 H C 0.880 176.287 175.328 0.132 0.000 1.028 372 H CA 0.562 56.681 56.048 0.119 0.000 1.221 372 H CB -0.888 28.937 29.762 0.105 0.000 1.363 372 H HN 0.698 nan 8.280 nan 0.000 0.594 373 I N -5.116 115.316 120.570 -0.229 0.000 2.892 373 I HA 0.371 4.551 4.170 0.018 0.000 0.306 373 I C -0.256 175.907 176.117 0.076 0.000 1.078 373 I CA -1.247 59.995 61.300 -0.097 0.000 1.032 373 I CB 1.799 39.657 38.000 -0.235 0.000 1.229 373 I HN -0.170 nan 8.210 nan 0.000 0.435 374 F N 1.605 121.548 119.950 -0.012 0.000 2.706 374 F HA 0.140 4.677 4.527 0.018 0.000 0.313 374 F C 2.172 178.010 175.800 0.062 0.000 1.096 374 F CA 0.559 58.604 58.000 0.075 0.000 1.219 374 F CB 0.474 39.556 39.000 0.137 0.000 1.051 374 F HN 0.647 nan 8.300 nan 0.000 0.568 375 S N -0.690 115.032 115.700 0.037 0.000 2.419 375 S HA -0.195 4.286 4.470 0.018 0.000 0.233 375 S C 2.226 176.739 174.600 -0.144 0.000 1.016 375 S CA 1.145 59.335 58.200 -0.016 0.000 0.974 375 S CB -1.107 62.095 63.200 0.003 0.000 0.786 375 S HN 0.427 nan 8.310 nan 0.000 0.492 376 S N 1.380 116.907 115.700 -0.288 0.000 2.420 376 S HA -0.107 4.373 4.470 0.018 0.000 0.237 376 S C 1.404 175.758 174.600 -0.410 0.000 1.023 376 S CA 1.008 58.988 58.200 -0.367 0.000 0.991 376 S CB -1.011 61.902 63.200 -0.478 0.000 0.792 376 S HN 0.466 nan 8.310 nan 0.000 0.488 377 F N 2.186 121.898 119.950 -0.398 0.000 2.234 377 F HA 0.094 4.631 4.527 0.018 0.000 0.299 377 F C 2.855 178.526 175.800 -0.214 0.000 1.087 377 F CA 0.740 58.444 58.000 -0.494 0.000 1.340 377 F CB -0.832 37.612 39.000 -0.926 0.000 1.031 377 F HN 0.196 nan 8.300 nan 0.000 0.500 378 S N 0.015 115.735 115.700 0.033 0.000 2.362 378 S HA -0.028 4.453 4.470 0.018 0.000 0.221 378 S C 2.150 176.764 174.600 0.024 0.000 1.032 378 S CA 0.677 58.916 58.200 0.065 0.000 0.973 378 S CB -0.399 62.844 63.200 0.072 0.000 0.849 378 S HN 0.223 nan 8.310 nan 0.000 0.465 379 L N 1.083 122.290 121.223 -0.027 0.000 2.093 379 L HA 0.055 4.406 4.340 0.018 0.000 0.208 379 L C 1.629 178.443 176.870 -0.094 0.000 1.085 379 L CA 0.625 55.432 54.840 -0.055 0.000 0.755 379 L CB -0.861 41.155 42.059 -0.072 0.000 0.904 379 L HN 0.280 nan 8.230 nan 0.000 0.435 380 G N -0.232 108.487 108.800 -0.134 0.000 2.580 380 G HA2 0.224 4.195 3.960 0.018 0.000 0.278 380 G HA3 0.224 4.195 3.960 0.018 0.000 0.278 380 G C 0.131 174.809 174.900 -0.371 0.000 1.212 380 G CA -0.016 44.922 45.100 -0.271 0.000 0.939 380 G HN 0.417 nan 8.290 nan 0.000 0.513 381 N N -2.595 115.662 118.700 -0.739 0.000 2.142 381 N HA 0.133 4.883 4.740 0.018 0.000 0.233 381 N C -0.130 174.605 175.510 -1.291 0.000 1.335 381 N CA 0.167 52.730 53.050 -0.812 0.000 0.837 381 N CB -0.308 37.997 38.487 -0.304 0.000 1.238 381 N HN 0.887 nan 8.380 nan 0.000 0.501 382 C N -2.399 115.873 119.300 -1.713 0.000 3.292 382 C HA 0.787 5.257 4.460 0.018 0.000 0.338 382 C C -1.568 173.013 174.990 -0.682 0.000 1.323 382 C CA -1.458 56.950 59.018 -1.017 0.000 1.232 382 C CB -0.085 27.427 27.740 -0.380 0.000 1.517 382 C HN 0.011 nan 8.230 nan 0.000 0.470 383 F N 1.044 120.985 119.950 -0.015 0.000 2.432 383 F HA 0.761 5.299 4.527 0.018 0.000 0.329 383 F C 0.576 176.399 175.800 0.039 0.000 1.076 383 F CA -1.190 56.883 58.000 0.122 0.000 1.018 383 F CB 1.369 40.566 39.000 0.328 0.000 1.201 383 F HN 0.500 nan 8.300 nan 0.000 0.489 384 I N 3.201 123.916 120.570 0.242 0.000 2.428 384 I HA 0.209 4.390 4.170 0.018 0.000 0.279 384 I C -1.018 175.102 176.117 0.005 0.000 1.040 384 I CA -0.643 60.706 61.300 0.081 0.000 1.171 384 I CB 1.067 39.079 38.000 0.019 0.000 1.312 384 I HN 0.148 nan 8.210 nan 0.000 0.470 385 V N 7.524 127.404 119.914 -0.057 0.000 2.352 385 V HA 0.160 4.291 4.120 0.018 0.000 0.253 385 V C 0.428 176.381 176.094 -0.237 0.000 1.083 385 V CA -0.138 61.981 62.300 -0.300 0.000 0.993 385 V CB -0.005 31.646 31.823 -0.286 0.000 1.111 385 V HN 0.478 nan 8.190 nan 0.000 0.490 386 L N 4.253 125.329 121.223 -0.244 0.000 2.281 386 L HA 0.376 4.727 4.340 0.018 0.000 0.285 386 L C 0.621 177.393 176.870 -0.162 0.000 1.074 386 L CA -0.623 54.125 54.840 -0.154 0.000 0.817 386 L CB 0.725 42.719 42.059 -0.108 0.000 1.168 386 L HN 0.527 nan 8.230 nan 0.000 0.434 387 E N 1.893 122.026 120.200 -0.113 0.000 2.534 387 E HA -0.133 4.228 4.350 0.018 0.000 0.264 387 E C 1.041 177.590 176.600 -0.084 0.000 0.981 387 E CA 0.311 56.654 56.400 -0.095 0.000 0.948 387 E CB 0.396 30.060 29.700 -0.060 0.000 0.934 387 E HN 0.368 nan 8.360 nan 0.000 0.459 388 R N 2.254 122.707 120.500 -0.079 0.000 2.119 388 R HA -0.229 4.122 4.340 0.018 0.000 0.246 388 R C 0.376 176.652 176.300 -0.040 0.000 1.146 388 R CA 1.976 58.041 56.100 -0.058 0.000 0.962 388 R CB 0.118 30.389 30.300 -0.049 0.000 0.863 388 R HN 0.517 nan 8.270 nan 0.000 0.442 389 D N -0.439 119.939 120.400 -0.036 0.000 2.349 389 D HA 0.006 4.657 4.640 0.018 0.000 0.214 389 D C 0.381 176.667 176.300 -0.023 0.000 1.063 389 D CA 0.051 54.035 54.000 -0.025 0.000 0.847 389 D CB 0.023 40.810 40.800 -0.022 0.000 0.933 389 D HN 0.173 nan 8.370 nan 0.000 0.513 390 R N 0.247 120.730 120.500 -0.028 0.000 2.827 390 R HA 0.350 4.701 4.340 0.018 0.000 0.269 390 R C 0.717 177.005 176.300 -0.019 0.000 1.048 390 R CA 0.167 56.253 56.100 -0.023 0.000 1.173 390 R CB 0.510 30.794 30.300 -0.027 0.000 1.070 390 R HN 0.055 nan 8.270 nan 0.000 0.498 391 G N 0.720 109.511 108.800 -0.014 0.000 3.107 391 G HA2 0.184 4.155 3.960 0.018 0.000 0.232 391 G HA3 0.184 4.155 3.960 0.018 0.000 0.232 391 G C -0.910 173.982 174.900 -0.013 0.000 1.339 391 G CA -0.808 44.285 45.100 -0.012 0.000 1.033 391 G HN 0.634 nan 8.290 nan 0.000 0.567 392 N N -0.359 118.335 118.700 -0.011 0.000 2.374 392 N HA 0.216 4.967 4.740 0.018 0.000 0.241 392 N C 0.071 175.573 175.510 -0.013 0.000 1.262 392 N CA 0.120 53.162 53.050 -0.013 0.000 0.880 392 N CB 1.580 40.061 38.487 -0.010 0.000 1.105 392 N HN 0.577 nan 8.380 nan 0.000 0.438 393 V N -1.318 118.585 119.914 -0.017 0.000 2.735 393 V HA 0.522 4.653 4.120 0.018 0.000 0.310 393 V C -0.309 175.769 176.094 -0.026 0.000 1.061 393 V CA -0.796 61.493 62.300 -0.019 0.000 0.913 393 V CB 2.284 34.096 31.823 -0.019 0.000 1.005 393 V HN 0.444 nan 8.190 nan 0.000 0.428 394 E N 2.685 122.868 120.200 -0.029 0.000 2.254 394 E HA 0.491 4.851 4.350 0.018 0.000 0.261 394 E C -0.440 176.127 176.600 -0.055 0.000 1.051 394 E CA -0.783 55.595 56.400 -0.036 0.000 0.902 394 E CB 2.101 31.782 29.700 -0.031 0.000 1.168 394 E HN 0.675 nan 8.360 nan 0.000 0.423 395 V N 1.118 120.996 119.914 -0.060 0.000 2.617 395 V HA 0.198 4.329 4.120 0.018 0.000 0.304 395 V C 1.467 177.497 176.094 -0.106 0.000 1.040 395 V CA 1.974 64.226 62.300 -0.081 0.000 1.149 395 V CB 0.134 31.915 31.823 -0.070 0.000 0.914 395 V HN 1.027 nan 8.190 nan 0.000 0.487 396 G N 3.366 112.072 108.800 -0.158 0.000 2.254 396 G HA2 -0.174 3.797 3.960 0.018 0.000 0.225 396 G HA3 -0.174 3.797 3.960 0.018 0.000 0.225 396 G C 0.118 174.837 174.900 -0.302 0.000 1.003 396 G CA 0.064 45.031 45.100 -0.223 0.000 0.622 396 G HN 0.651 nan 8.290 nan 0.000 0.507 397 E N -0.363 119.722 120.200 -0.191 0.000 2.408 397 E HA 0.364 4.725 4.350 0.018 0.000 0.259 397 E C -0.195 176.292 176.600 -0.189 0.000 1.110 397 E CA -0.284 56.037 56.400 -0.132 0.000 0.929 397 E CB 0.519 30.204 29.700 -0.026 0.000 0.971 397 E HN 0.399 nan 8.360 nan 0.000 0.438 398 W N 0.854 122.142 121.300 -0.020 0.000 2.375 398 W HA 0.397 5.067 4.660 0.017 0.000 0.336 398 W C -0.191 176.313 176.519 -0.025 0.000 1.160 398 W CA -0.346 56.987 57.345 -0.020 0.000 1.266 398 W CB 0.914 30.363 29.460 -0.018 0.000 1.195 398 W HN 0.242 nan 8.180 nan 0.000 0.599 399 V N -1.622 118.424 119.914 0.220 0.000 3.188 399 V HA 0.511 4.642 4.120 0.018 0.000 0.305 399 V C -0.766 175.389 176.094 0.101 0.000 1.232 399 V CA -1.533 60.832 62.300 0.109 0.000 1.043 399 V CB 1.967 33.815 31.823 0.042 0.000 1.068 399 V HN 0.469 nan 8.190 nan 0.000 0.439 400 E N 1.635 121.866 120.200 0.052 0.000 2.227 400 E HA 0.584 4.945 4.350 0.018 0.000 0.282 400 E C -0.526 176.106 176.600 0.053 0.000 1.015 400 E CA -0.240 56.188 56.400 0.046 0.000 0.823 400 E CB 2.033 31.740 29.700 0.012 0.000 1.081 400 E HN 1.068 nan 8.360 nan 0.000 0.396 401 V N -0.304 119.655 119.914 0.075 0.000 2.735 401 V HA 0.508 4.638 4.120 0.018 0.000 0.310 401 V C -0.313 175.863 176.094 0.137 0.000 1.061 401 V CA -0.921 61.435 62.300 0.094 0.000 0.913 401 V CB 2.165 34.020 31.823 0.054 0.000 1.005 401 V HN 0.659 nan 8.190 nan 0.000 0.428 402 E N 5.260 125.593 120.200 0.221 0.000 2.207 402 E HA 0.458 4.819 4.350 0.018 0.000 0.250 402 E C -2.715 174.070 176.600 0.309 0.000 0.890 402 E CA -2.338 54.239 56.400 0.295 0.000 0.749 402 E CB 2.169 32.123 29.700 0.423 0.000 1.193 402 E HN 0.712 nan 8.360 nan 0.000 0.423 403 P HA -0.054 nan 4.420 nan 0.000 0.265 403 P C -0.322 177.185 177.300 0.346 0.000 1.187 403 P CA 0.030 63.214 63.100 0.140 0.000 0.766 403 P CB 0.359 32.123 31.700 0.106 0.000 0.820 404 F N 2.482 122.491 119.950 0.099 0.000 2.496 404 F HA 0.046 4.584 4.527 0.018 0.000 0.344 404 F C 1.616 177.566 175.800 0.249 0.000 1.155 404 F CA -0.246 57.860 58.000 0.176 0.000 1.302 404 F CB -0.430 38.628 39.000 0.097 0.000 1.159 404 F HN 0.395 nan 8.300 nan 0.000 0.595 405 N N 0.959 119.972 118.700 0.522 0.000 2.514 405 N HA 0.400 5.151 4.740 0.018 0.000 0.299 405 N C 0.461 176.117 175.510 0.242 0.000 1.292 405 N CA -0.088 53.154 53.050 0.320 0.000 0.963 405 N CB -0.303 38.335 38.487 0.251 0.000 1.124 405 N HN 0.428 nan 8.380 nan 0.000 0.580 406 A N -0.843 122.063 122.820 0.144 0.000 2.216 406 A HA 0.078 4.409 4.320 0.018 0.000 0.214 406 A C 1.891 179.487 177.584 0.021 0.000 1.160 406 A CA 0.460 52.553 52.037 0.094 0.000 0.725 406 A CB -1.081 17.962 19.000 0.070 0.000 0.784 406 A HN 0.587 nan 8.150 nan 0.000 0.472 407 L N -1.817 119.367 121.223 -0.064 0.000 2.376 407 L HA 0.045 4.395 4.340 0.018 0.000 0.219 407 L C 0.309 176.897 176.870 -0.470 0.000 1.133 407 L CA 0.339 54.995 54.840 -0.307 0.000 0.816 407 L CB -0.293 41.491 42.059 -0.459 0.000 0.933 407 L HN 0.328 nan 8.230 nan 0.000 0.449 408 F N 0.000 119.950 119.950 0.000 0.000 2.286 408 F HA 0.000 4.538 4.527 0.018 0.000 0.279 408 F CA 0.000 57.983 58.000 -0.028 0.000 1.383 408 F CB 0.000 38.858 39.000 -0.237 0.000 1.145 408 F HN 0.000 nan 8.300 nan 0.000 0.574