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 1w7k_1_A DATA FIRST_RESID 6 DATA SEQUENCE TPQAASPLAS WLSYLENLXX XXIDLGLERV SLVAARLGVL KPAPFVFTVA DATA SEQUENCE GTNGKGTTCR TLESILMAAG YKVGVYSSPH LVRYTERVRV QGQELPESAH DATA SEQUENCE TASFAEIESA RGDISLTYFE YGTLSALWLF KQAQLDVVIL EVGLGGRLDA DATA SEQUENCE TNIVDADVAV VTSIALDHTD WLGPDRESIG REXAGIFRSE KPAIVGEPEM DATA SEQUENCE PSTIADVAQE KGALLQRRGV EWNYSVTDHD WAFSDAHGTL ENLPLPLVPQ DATA SEQUENCE PNAATALAAL RASGLEVSEN AIRDGIASAI LPGRFQIVSE SPRVIFDVAH DATA SEQUENCE NPHAAEYLTG RMKALPKNGR VLAVIGMLHD KDIAGTLAWL KSVVDDWYCA DATA SEQUENCE PLEGPRGATA EQLLEHLGNG KSFDSVAQAW DAAMADAKAE DTVLVCGSFH DATA SEQUENCE TVAHVMEVID ARRSG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.287 174.700 -0.688 0.000 1.109 6 T CA 0.000 61.721 62.100 -0.632 0.000 1.349 6 T CB 0.000 68.626 68.868 -0.403 0.000 0.612 7 P HA 0.397 nan 4.420 nan 0.000 0.273 7 P C -0.620 176.241 177.300 -0.733 0.000 1.250 7 P CA -0.485 61.957 63.100 -1.096 0.000 0.793 7 P CB 0.755 31.206 31.700 -2.082 0.000 1.011 8 Q N -1.145 118.481 119.800 -0.290 0.000 2.633 8 Q HA 0.688 5.031 4.340 0.005 0.000 0.292 8 Q C 0.671 176.906 176.000 0.392 0.000 1.089 8 Q CA -0.986 54.876 55.803 0.097 0.000 0.811 8 Q CB 0.789 29.532 28.738 0.009 0.000 1.472 8 Q HN 0.243 nan 8.270 nan 0.000 0.464 9 A N 0.190 123.181 122.820 0.285 0.000 2.070 9 A HA -0.034 4.289 4.320 0.005 0.000 0.220 9 A C 1.861 179.563 177.584 0.197 0.000 1.159 9 A CA 1.842 54.014 52.037 0.226 0.000 0.656 9 A CB -0.953 18.099 19.000 0.087 0.000 0.800 9 A HN 0.780 nan 8.150 nan 0.000 0.453 10 A N -0.933 121.977 122.820 0.149 0.000 2.195 10 A HA 0.393 4.717 4.320 0.005 0.000 0.210 10 A C 1.263 178.908 177.584 0.103 0.000 1.165 10 A CA 0.340 52.438 52.037 0.101 0.000 0.806 10 A CB -0.218 18.814 19.000 0.054 0.000 0.847 10 A HN 0.312 nan 8.150 nan 0.000 0.482 11 S N 1.857 117.632 115.700 0.124 0.000 2.573 11 S HA 0.337 4.810 4.470 0.005 0.000 0.277 11 S C -2.400 172.291 174.600 0.152 0.000 1.346 11 S CA -0.631 57.599 58.200 0.051 0.000 1.034 11 S CB 0.318 63.428 63.200 -0.151 0.000 0.879 11 S HN 0.322 nan 8.310 nan 0.000 0.528 12 P HA 0.123 nan 4.420 nan 0.000 0.275 12 P C 0.925 178.346 177.300 0.200 0.000 1.228 12 P CA -0.557 62.616 63.100 0.121 0.000 0.786 12 P CB 0.499 32.236 31.700 0.062 0.000 0.927 13 L N 3.655 125.008 121.223 0.216 0.000 2.051 13 L HA -0.260 4.083 4.340 0.005 0.000 0.214 13 L C 2.261 179.247 176.870 0.194 0.000 1.076 13 L CA 2.569 57.562 54.840 0.255 0.000 0.758 13 L CB -1.640 40.505 42.059 0.143 0.000 0.890 13 L HN 0.483 nan 8.230 nan 0.000 0.433 14 A N -1.937 120.949 122.820 0.110 0.000 1.978 14 A HA -0.188 4.135 4.320 0.005 0.000 0.220 14 A C 2.393 180.006 177.584 0.049 0.000 1.170 14 A CA 1.952 54.030 52.037 0.068 0.000 0.636 14 A CB -0.803 18.227 19.000 0.049 0.000 0.810 14 A HN 0.543 nan 8.150 nan 0.000 0.448 15 S N -1.962 113.752 115.700 0.025 0.000 2.428 15 S HA -0.119 4.354 4.470 0.005 0.000 0.230 15 S C 1.471 176.000 174.600 -0.117 0.000 1.014 15 S CA 0.836 58.992 58.200 -0.074 0.000 0.957 15 S CB -0.369 62.738 63.200 -0.155 0.000 0.784 15 S HN 0.783 nan 8.310 nan 0.000 0.499 16 W N 1.731 123.003 121.300 -0.048 0.000 2.407 16 W HA 0.091 4.754 4.660 0.005 0.000 0.305 16 W C 1.866 178.266 176.519 -0.198 0.000 1.196 16 W CA 0.429 57.700 57.345 -0.124 0.000 1.311 16 W CB -0.411 29.004 29.460 -0.075 0.000 1.135 16 W HN 0.206 nan 8.180 nan 0.000 0.514 17 L N -0.439 120.825 121.223 0.068 0.000 2.083 17 L HA -0.232 4.112 4.340 0.005 0.000 0.209 17 L C 2.620 179.531 176.870 0.069 0.000 1.083 17 L CA 1.507 56.348 54.840 0.003 0.000 0.752 17 L CB -1.130 40.920 42.059 -0.014 0.000 0.899 17 L HN -0.031 nan 8.230 nan 0.000 0.433 18 S N -0.620 115.108 115.700 0.046 0.000 2.368 18 S HA -0.248 4.225 4.470 0.005 0.000 0.224 18 S C 2.123 176.732 174.600 0.014 0.000 1.029 18 S CA 0.989 59.206 58.200 0.027 0.000 0.988 18 S CB -0.363 62.845 63.200 0.014 0.000 0.838 18 S HN 0.507 nan 8.310 nan 0.000 0.462 19 Y N 1.957 122.182 120.300 -0.125 0.000 2.200 19 Y HA 0.053 4.607 4.550 0.006 0.000 0.290 19 Y C 1.896 177.714 175.900 -0.136 0.000 1.137 19 Y CA 1.622 59.621 58.100 -0.168 0.000 1.163 19 Y CB -0.456 37.824 38.460 -0.301 0.000 0.988 19 Y HN 0.250 nan 8.280 nan 0.000 0.518 20 L N -0.003 121.069 121.223 -0.251 0.000 2.141 20 L HA -0.180 4.163 4.340 0.005 0.000 0.209 20 L C 2.184 179.078 176.870 0.040 0.000 1.094 20 L CA 1.688 56.357 54.840 -0.284 0.000 0.763 20 L CB -0.492 41.386 42.059 -0.303 0.000 0.908 20 L HN 0.288 nan 8.230 nan 0.000 0.437 21 E N 0.020 120.250 120.200 0.050 0.000 2.285 21 E HA -0.129 4.224 4.350 0.005 0.000 0.194 21 E C 1.199 177.753 176.600 -0.078 0.000 0.997 21 E CA 0.511 56.886 56.400 -0.042 0.000 0.845 21 E CB 0.097 29.752 29.700 -0.075 0.000 0.782 21 E HN 0.438 nan 8.360 nan 0.000 0.491 22 N N -0.067 118.567 118.700 -0.110 0.000 2.383 22 N HA 0.060 4.803 4.740 0.005 0.000 0.192 22 N C -0.356 175.090 175.510 -0.108 0.000 1.141 22 N CA 0.028 53.017 53.050 -0.101 0.000 0.851 22 N CB 0.183 38.618 38.487 -0.086 0.000 0.976 22 N HN 0.012 nan 8.380 nan 0.000 0.465 29 D N 2.273 122.667 120.400 -0.010 0.000 3.845 29 D HA -0.067 4.576 4.640 0.005 0.000 0.227 29 D C -0.345 175.940 176.300 -0.025 0.000 1.092 29 D CA 0.517 54.508 54.000 -0.015 0.000 1.148 29 D CB -0.617 40.176 40.800 -0.011 0.000 0.803 29 D HN 0.380 nan 8.370 nan 0.000 0.395 30 L N 0.963 122.164 121.223 -0.037 0.000 2.371 30 L HA 0.507 4.850 4.340 0.005 0.000 0.234 30 L C 1.861 178.706 176.870 -0.042 0.000 1.230 30 L CA 1.054 55.861 54.840 -0.056 0.000 0.825 30 L CB -0.079 41.929 42.059 -0.085 0.000 1.157 30 L HN 0.708 nan 8.230 nan 0.000 0.565 31 G N -1.300 107.472 108.800 -0.047 0.000 2.663 31 G HA2 -0.135 3.829 3.960 0.005 0.000 0.686 31 G HA3 -0.135 3.829 3.960 0.005 0.000 0.686 31 G C -0.163 174.721 174.900 -0.026 0.000 1.246 31 G CA -0.409 44.672 45.100 -0.033 0.000 0.795 31 G HN 0.639 nan 8.290 nan 0.000 0.627 32 L N 0.431 121.644 121.223 -0.018 0.000 2.627 32 L HA 0.181 4.525 4.340 0.005 0.000 0.233 32 L C 2.347 179.208 176.870 -0.015 0.000 1.144 32 L CA 0.883 55.716 54.840 -0.012 0.000 0.892 32 L CB -0.126 41.931 42.059 -0.004 0.000 1.039 32 L HN 0.865 nan 8.230 nan 0.000 0.442 33 E N 1.280 121.470 120.200 -0.017 0.000 2.023 33 E HA -0.260 4.093 4.350 0.005 0.000 0.196 33 E C 2.206 178.792 176.600 -0.023 0.000 1.003 33 E CA 1.548 57.938 56.400 -0.017 0.000 0.809 33 E CB 0.129 29.820 29.700 -0.015 0.000 0.755 33 E HN 0.402 nan 8.360 nan 0.000 0.449 34 R N 0.020 120.504 120.500 -0.027 0.000 2.083 34 R HA -0.138 4.206 4.340 0.005 0.000 0.237 34 R C 2.533 178.802 176.300 -0.051 0.000 1.137 34 R CA 1.444 57.522 56.100 -0.037 0.000 0.951 34 R CB -0.640 29.636 30.300 -0.040 0.000 0.851 34 R HN 0.181 nan 8.270 nan 0.000 0.434 35 V N 0.448 120.332 119.914 -0.050 0.000 2.515 35 V HA -0.223 3.900 4.120 0.005 0.000 0.250 35 V C 1.790 177.856 176.094 -0.048 0.000 1.058 35 V CA 1.986 64.249 62.300 -0.062 0.000 1.064 35 V CB -0.048 31.746 31.823 -0.048 0.000 0.675 35 V HN 0.310 nan 8.190 nan 0.000 0.461 36 S N -0.023 115.659 115.700 -0.031 0.000 2.383 36 S HA -0.043 4.430 4.470 0.005 0.000 0.227 36 S C 1.751 176.336 174.600 -0.024 0.000 1.026 36 S CA 1.557 59.743 58.200 -0.023 0.000 0.981 36 S CB -0.259 62.932 63.200 -0.015 0.000 0.818 36 S HN 0.562 nan 8.310 nan 0.000 0.472 37 L N 1.007 122.214 121.223 -0.027 0.000 2.093 37 L HA -0.053 4.291 4.340 0.005 0.000 0.208 37 L C 2.223 179.075 176.870 -0.030 0.000 1.085 37 L CA 0.783 55.608 54.840 -0.025 0.000 0.755 37 L CB -0.587 41.458 42.059 -0.024 0.000 0.904 37 L HN 0.206 nan 8.230 nan 0.000 0.435 38 V N -0.158 119.729 119.914 -0.046 0.000 2.453 38 V HA -0.165 3.959 4.120 0.005 0.000 0.247 38 V C 2.724 178.793 176.094 -0.042 0.000 1.048 38 V CA 1.515 63.782 62.300 -0.055 0.000 1.049 38 V CB -0.786 30.980 31.823 -0.094 0.000 0.672 38 V HN 0.434 nan 8.190 nan 0.000 0.457 39 A N 0.228 123.024 122.820 -0.039 0.000 1.972 39 A HA -0.097 4.227 4.320 0.005 0.000 0.219 39 A C 2.393 179.974 177.584 -0.005 0.000 1.169 39 A CA 2.023 54.047 52.037 -0.021 0.000 0.635 39 A CB -0.618 18.367 19.000 -0.024 0.000 0.810 39 A HN 0.553 nan 8.150 nan 0.000 0.446 40 A N -0.189 122.626 122.820 -0.009 0.000 1.897 40 A HA -0.107 4.216 4.320 0.005 0.000 0.215 40 A C 2.221 179.806 177.584 0.002 0.000 1.181 40 A CA 1.308 53.343 52.037 -0.003 0.000 0.620 40 A CB -0.428 18.568 19.000 -0.007 0.000 0.821 40 A HN 0.534 nan 8.150 nan 0.000 0.443 41 R N -0.603 119.896 120.500 -0.001 0.000 2.096 41 R HA -0.032 4.312 4.340 0.005 0.000 0.235 41 R C 1.745 178.057 176.300 0.019 0.000 1.127 41 R CA 1.411 57.513 56.100 0.004 0.000 0.968 41 R CB -0.441 29.856 30.300 -0.005 0.000 0.861 41 R HN 0.482 nan 8.270 nan 0.000 0.440 42 L N -0.478 120.761 121.223 0.027 0.000 2.492 42 L HA 0.120 4.464 4.340 0.005 0.000 0.223 42 L C 1.081 178.004 176.870 0.087 0.000 1.132 42 L CA 0.434 55.317 54.840 0.073 0.000 0.850 42 L CB -0.040 42.068 42.059 0.082 0.000 0.966 42 L HN 0.436 nan 8.230 nan 0.000 0.454 43 G N 0.726 109.553 108.800 0.045 0.000 2.273 43 G HA2 -0.262 3.701 3.960 0.005 0.000 0.280 43 G HA3 -0.262 3.701 3.960 0.005 0.000 0.280 43 G C 0.620 175.535 174.900 0.025 0.000 1.047 43 G CA 0.463 45.580 45.100 0.028 0.000 0.869 43 G HN 0.387 nan 8.290 nan 0.000 0.502 44 V N -2.664 117.270 119.914 0.033 0.000 3.214 44 V HA 0.528 4.651 4.120 0.005 0.000 0.330 44 V C 1.975 178.077 176.094 0.012 0.000 1.403 44 V CA 0.760 63.075 62.300 0.026 0.000 1.143 44 V CB -0.008 31.848 31.823 0.055 0.000 1.098 44 V HN 0.299 nan 8.190 nan 0.000 0.463 45 L N 0.344 121.570 121.223 0.005 0.000 2.362 45 L HA 0.153 4.497 4.340 0.005 0.000 0.219 45 L C 1.515 178.383 176.870 -0.004 0.000 1.134 45 L CA 1.379 56.219 54.840 -0.001 0.000 0.807 45 L CB -0.040 42.017 42.059 -0.005 0.000 0.927 45 L HN 0.349 nan 8.230 nan 0.000 0.447 46 K N 0.388 120.785 120.400 -0.006 0.000 2.646 46 K HA 0.212 4.536 4.320 0.005 0.000 0.210 46 K C -1.914 174.682 176.600 -0.006 0.000 1.020 46 K CA -1.354 54.924 56.287 -0.015 0.000 1.040 46 K CB 1.430 33.914 32.500 -0.026 0.000 1.253 46 K HN -0.220 nan 8.250 nan 0.000 0.532 47 P HA -0.027 nan 4.420 nan 0.000 0.223 47 P C -0.228 177.077 177.300 0.008 0.000 1.151 47 P CA 0.540 63.663 63.100 0.039 0.000 0.787 47 P CB 0.407 32.183 31.700 0.126 0.000 0.788 48 A N -1.179 121.633 122.820 -0.013 0.000 2.601 48 A HA 0.528 4.852 4.320 0.005 0.000 0.291 48 A C -2.446 175.135 177.584 -0.006 0.000 1.075 48 A CA -0.976 51.053 52.037 -0.012 0.000 0.671 48 A CB 0.371 19.356 19.000 -0.025 0.000 1.277 48 A HN -0.318 nan 8.150 nan 0.000 0.417 49 P HA 0.032 nan 4.420 nan 0.000 0.220 49 P C -0.211 177.125 177.300 0.060 0.000 1.148 49 P CA 1.414 64.537 63.100 0.038 0.000 0.803 49 P CB 0.093 31.836 31.700 0.071 0.000 0.782 50 F N -0.869 119.035 119.950 -0.078 0.000 2.557 50 F HA 0.437 4.967 4.527 0.006 0.000 0.316 50 F C -1.070 174.650 175.800 -0.134 0.000 1.141 50 F CA -1.009 56.909 58.000 -0.136 0.000 0.922 50 F CB 1.626 40.527 39.000 -0.165 0.000 1.194 50 F HN -0.506 nan 8.300 nan 0.000 0.443 51 V N 6.022 125.712 119.914 -0.375 0.000 2.656 51 V HA 0.453 4.576 4.120 0.005 0.000 0.307 51 V C -0.982 174.958 176.094 -0.256 0.000 1.051 51 V CA -0.857 61.342 62.300 -0.169 0.000 0.893 51 V CB 1.941 33.681 31.823 -0.138 0.000 0.999 51 V HN 0.541 nan 8.190 nan 0.000 0.426 52 F N 1.624 121.586 119.950 0.020 0.000 2.469 52 F HA 0.650 5.180 4.527 0.005 0.000 0.332 52 F C 0.584 176.412 175.800 0.046 0.000 1.103 52 F CA -0.327 57.702 58.000 0.047 0.000 0.979 52 F CB 2.303 41.345 39.000 0.071 0.000 1.137 52 F HN 0.336 nan 8.300 nan 0.000 0.463 53 T N 3.254 117.944 114.554 0.226 0.000 2.812 53 T HA 0.580 4.934 4.350 0.005 0.000 0.282 53 T C -0.941 173.878 174.700 0.198 0.000 0.990 53 T CA -0.606 61.607 62.100 0.187 0.000 0.960 53 T CB 1.481 70.433 68.868 0.140 0.000 0.948 53 T HN 0.228 nan 8.240 nan 0.000 0.438 54 V N 2.714 122.732 119.914 0.174 0.000 2.407 54 V HA 0.831 4.954 4.120 0.005 0.000 0.291 54 V C 0.114 176.282 176.094 0.124 0.000 1.018 54 V CA -0.740 61.650 62.300 0.151 0.000 0.842 54 V CB 1.153 33.048 31.823 0.120 0.000 0.996 54 V HN 1.087 nan 8.190 nan 0.000 0.426 55 A N 3.421 126.314 122.820 0.122 0.000 2.346 55 A HA 1.097 5.420 4.320 0.005 0.000 0.313 55 A C 0.181 177.817 177.584 0.087 0.000 1.140 55 A CA -0.231 51.859 52.037 0.088 0.000 0.826 55 A CB 1.978 21.015 19.000 0.063 0.000 1.332 55 A HN 1.878 nan 8.150 nan 0.000 0.457 56 G N -1.661 107.178 108.800 0.066 0.000 2.345 56 G HA2 0.383 4.346 3.960 0.005 0.000 0.310 56 G HA3 0.383 4.346 3.960 0.005 0.000 0.310 56 G C 0.105 175.044 174.900 0.065 0.000 1.476 56 G CA 0.269 45.408 45.100 0.064 0.000 0.978 56 G HN 0.840 nan 8.290 nan 0.000 0.656 57 T N 0.038 114.619 114.554 0.045 0.000 2.809 57 T HA 0.109 4.462 4.350 0.005 0.000 0.260 57 T C 0.961 175.725 174.700 0.106 0.000 1.039 57 T CA 1.617 63.751 62.100 0.056 0.000 1.141 57 T CB -0.239 68.610 68.868 -0.032 0.000 0.869 57 T HN 0.521 nan 8.240 nan 0.000 0.437 58 N N -1.408 117.363 118.700 0.118 0.000 2.284 58 N HA 0.493 5.236 4.740 0.005 0.000 0.289 58 N C 0.224 175.788 175.510 0.090 0.000 1.179 58 N CA -0.100 53.038 53.050 0.146 0.000 0.774 58 N CB 2.235 40.844 38.487 0.203 0.000 1.548 58 N HN 0.221 nan 8.380 nan 0.000 0.473 59 G N 0.134 108.971 108.800 0.062 0.000 2.141 59 G HA2 -0.292 3.672 3.960 0.005 0.000 0.242 59 G HA3 -0.292 3.672 3.960 0.005 0.000 0.242 59 G C 0.717 175.639 174.900 0.037 0.000 0.982 59 G CA 0.228 45.337 45.100 0.016 0.000 0.662 59 G HN 0.522 nan 8.290 nan 0.000 0.527 60 K N 0.029 120.469 120.400 0.066 0.000 2.025 60 K HA 0.056 4.380 4.320 0.005 0.000 0.207 60 K C 2.836 179.468 176.600 0.053 0.000 1.049 60 K CA 1.205 57.531 56.287 0.065 0.000 0.933 60 K CB -0.424 32.121 32.500 0.075 0.000 0.714 60 K HN 0.352 nan 8.250 nan 0.000 0.438 61 G N 1.293 110.134 108.800 0.068 0.000 2.476 61 G HA2 -0.319 3.645 3.960 0.005 0.000 0.218 61 G HA3 -0.319 3.645 3.960 0.005 0.000 0.218 61 G C 1.677 176.599 174.900 0.035 0.000 1.164 61 G CA 1.857 46.996 45.100 0.066 0.000 0.768 61 G HN 0.459 nan 8.290 nan 0.000 0.560 62 T N -2.065 112.501 114.554 0.020 0.000 2.904 62 T HA -0.042 4.312 4.350 0.005 0.000 0.267 62 T C 2.299 176.980 174.700 -0.031 0.000 1.059 62 T CA 1.905 64.001 62.100 -0.007 0.000 1.137 62 T CB -0.534 68.323 68.868 -0.019 0.000 0.879 62 T HN 0.161 nan 8.240 nan 0.000 0.467 63 T N 1.203 115.740 114.554 -0.028 0.000 2.777 63 T HA -0.063 4.290 4.350 0.005 0.000 0.266 63 T C 2.274 176.932 174.700 -0.070 0.000 1.040 63 T CA 1.197 63.266 62.100 -0.050 0.000 1.141 63 T CB -0.829 68.027 68.868 -0.020 0.000 0.868 63 T HN 0.500 nan 8.240 nan 0.000 0.444 64 C N 1.151 120.429 119.300 -0.037 0.000 2.429 64 C HA 0.015 4.478 4.460 0.005 0.000 0.277 64 C C 2.890 177.843 174.990 -0.062 0.000 1.262 64 C CA 0.558 59.548 59.018 -0.046 0.000 1.733 64 C CB -0.830 26.916 27.740 0.010 0.000 2.010 64 C HN 0.461 nan 8.230 nan 0.000 0.483 65 R N 1.247 121.726 120.500 -0.034 0.000 2.096 65 R HA -0.100 4.243 4.340 0.005 0.000 0.235 65 R C 1.966 178.232 176.300 -0.057 0.000 1.127 65 R CA 2.247 58.329 56.100 -0.030 0.000 0.968 65 R CB -1.109 29.187 30.300 -0.007 0.000 0.861 65 R HN 0.494 nan 8.270 nan 0.000 0.440 66 T N 0.868 115.377 114.554 -0.075 0.000 2.777 66 T HA -0.036 4.317 4.350 0.005 0.000 0.266 66 T C 1.732 176.349 174.700 -0.137 0.000 1.040 66 T CA 1.427 63.473 62.100 -0.090 0.000 1.141 66 T CB -0.170 68.640 68.868 -0.097 0.000 0.868 66 T HN 0.131 nan 8.240 nan 0.000 0.444 67 L N 0.851 121.956 121.223 -0.197 0.000 2.017 67 L HA -0.122 4.222 4.340 0.005 0.000 0.208 67 L C 2.836 179.565 176.870 -0.235 0.000 1.073 67 L CA 1.558 56.213 54.840 -0.309 0.000 0.745 67 L CB -0.498 41.267 42.059 -0.489 0.000 0.894 67 L HN 0.361 nan 8.230 nan 0.000 0.432 68 E N -0.125 119.979 120.200 -0.160 0.000 2.077 68 E HA -0.213 4.140 4.350 0.005 0.000 0.193 68 E C 2.165 178.724 176.600 -0.069 0.000 0.989 68 E CA 1.651 57.991 56.400 -0.100 0.000 0.800 68 E CB 0.096 29.763 29.700 -0.056 0.000 0.746 68 E HN 0.416 nan 8.360 nan 0.000 0.452 69 S N 0.683 116.345 115.700 -0.064 0.000 2.356 69 S HA -0.131 4.342 4.470 0.005 0.000 0.223 69 S C 2.012 176.584 174.600 -0.046 0.000 1.032 69 S CA 1.252 59.426 58.200 -0.043 0.000 1.005 69 S CB -0.244 62.935 63.200 -0.035 0.000 0.867 69 S HN 0.300 nan 8.310 nan 0.000 0.449 70 I N 1.364 121.890 120.570 -0.074 0.000 2.179 70 I HA -0.175 3.998 4.170 0.005 0.000 0.242 70 I C 2.015 178.106 176.117 -0.043 0.000 1.088 70 I CA 1.126 62.383 61.300 -0.072 0.000 1.357 70 I CB -0.416 37.516 38.000 -0.113 0.000 1.051 70 I HN 0.208 nan 8.210 nan 0.000 0.409 71 L N -0.415 120.770 121.223 -0.064 0.000 2.131 71 L HA -0.199 4.145 4.340 0.005 0.000 0.210 71 L C 2.579 179.513 176.870 0.107 0.000 1.092 71 L CA 1.261 56.107 54.840 0.009 0.000 0.759 71 L CB -0.388 41.603 42.059 -0.115 0.000 0.903 71 L HN 0.282 nan 8.230 nan 0.000 0.435 72 M N -0.877 118.744 119.600 0.036 0.000 2.200 72 M HA -0.129 4.354 4.480 0.005 0.000 0.265 72 M C 2.473 178.786 176.300 0.022 0.000 1.066 72 M CA 1.658 56.978 55.300 0.034 0.000 1.127 72 M CB -0.321 32.285 32.600 0.010 0.000 1.379 72 M HN 0.308 nan 8.290 nan 0.000 0.420 73 A N 0.112 122.938 122.820 0.010 0.000 1.969 73 A HA 0.037 4.361 4.320 0.005 0.000 0.218 73 A C 2.158 179.744 177.584 0.002 0.000 1.169 73 A CA 1.633 53.669 52.037 -0.002 0.000 0.635 73 A CB -0.695 18.299 19.000 -0.012 0.000 0.810 73 A HN 0.493 nan 8.150 nan 0.000 0.445 74 A N -1.891 120.954 122.820 0.040 0.000 2.235 74 A HA 0.405 4.728 4.320 0.005 0.000 0.208 74 A C 1.757 179.314 177.584 -0.044 0.000 1.172 74 A CA 1.240 53.308 52.037 0.052 0.000 0.786 74 A CB -0.807 18.294 19.000 0.168 0.000 0.804 74 A HN 1.819 nan 8.150 nan 0.000 0.479 75 G N -2.641 106.133 108.800 -0.044 0.000 2.176 75 G HA2 -0.262 3.702 3.960 0.005 0.000 0.232 75 G HA3 -0.262 3.702 3.960 0.005 0.000 0.232 75 G C -0.012 174.768 174.900 -0.200 0.000 0.986 75 G CA 0.158 45.172 45.100 -0.142 0.000 0.643 75 G HN 0.412 nan 8.290 nan 0.000 0.522 76 Y N 0.676 120.948 120.300 -0.047 0.000 2.301 76 Y HA 0.529 5.082 4.550 0.006 0.000 0.328 76 Y C 1.196 177.073 175.900 -0.039 0.000 1.242 76 Y CA -0.112 57.962 58.100 -0.044 0.000 1.323 76 Y CB 0.738 39.169 38.460 -0.047 0.000 1.266 76 Y HN -0.047 nan 8.280 nan 0.000 0.527 77 K N 2.128 122.601 120.400 0.121 0.000 2.267 77 K HA 0.439 4.762 4.320 0.005 0.000 0.282 77 K C -1.277 175.352 176.600 0.049 0.000 1.078 77 K CA -0.339 55.980 56.287 0.053 0.000 0.903 77 K CB 0.671 33.186 32.500 0.023 0.000 1.111 77 K HN 0.326 nan 8.250 nan 0.000 0.475 78 V N 1.643 121.568 119.914 0.018 0.000 2.581 78 V HA 0.608 4.731 4.120 0.005 0.000 0.303 78 V C 0.406 176.451 176.094 -0.082 0.000 1.041 78 V CA -0.971 61.311 62.300 -0.030 0.000 0.907 78 V CB 1.936 33.747 31.823 -0.020 0.000 0.994 78 V HN 0.884 nan 8.190 nan 0.000 0.442 79 G N 1.981 110.649 108.800 -0.220 0.000 2.566 79 G HA2 0.659 4.622 3.960 0.005 0.000 0.311 79 G HA3 0.659 4.622 3.960 0.005 0.000 0.311 79 G C -1.536 173.137 174.900 -0.378 0.000 1.322 79 G CA -0.512 44.368 45.100 -0.367 0.000 0.969 79 G HN 0.556 nan 8.290 nan 0.000 0.490 80 V N 2.361 122.268 119.914 -0.013 0.000 2.588 80 V HA 0.386 4.510 4.120 0.005 0.000 0.304 80 V C -1.257 175.127 176.094 0.483 0.000 1.042 80 V CA -0.973 61.411 62.300 0.140 0.000 0.877 80 V CB 1.684 33.564 31.823 0.095 0.000 0.996 80 V HN 0.717 nan 8.190 nan 0.000 0.425 81 Y N 4.252 124.759 120.300 0.345 0.000 2.330 81 Y HA 0.739 5.292 4.550 0.005 0.000 0.336 81 Y C 0.215 176.229 175.900 0.191 0.000 1.036 81 Y CA -0.770 57.520 58.100 0.316 0.000 1.125 81 Y CB 1.672 40.326 38.460 0.324 0.000 1.194 81 Y HN 0.759 nan 8.280 nan 0.000 0.469 82 S N 3.662 119.316 115.700 -0.075 0.000 2.588 82 S HA 0.934 5.407 4.470 0.005 0.000 0.275 82 S C -1.260 173.215 174.600 -0.209 0.000 1.130 82 S CA -0.166 57.950 58.200 -0.139 0.000 0.855 82 S CB 1.424 64.638 63.200 0.023 0.000 1.116 82 S HN 1.163 nan 8.310 nan 0.000 0.472 83 S N 0.651 116.276 115.700 -0.125 0.000 2.552 83 S HA 0.785 5.259 4.470 0.005 0.000 0.272 83 S C -3.259 171.267 174.600 -0.123 0.000 1.150 83 S CA -0.969 57.173 58.200 -0.097 0.000 0.849 83 S CB 1.060 64.229 63.200 -0.052 0.000 1.113 83 S HN 0.706 nan 8.310 nan 0.000 0.458 84 P HA 0.427 nan 4.420 nan 0.000 0.317 84 P C -0.919 176.239 177.300 -0.236 0.000 1.307 84 P CA -0.472 62.430 63.100 -0.330 0.000 0.749 84 P CB 0.279 31.621 31.700 -0.596 0.000 1.377 85 H N -1.487 117.492 119.070 -0.151 0.000 2.533 85 H HA 0.363 4.923 4.556 0.006 0.000 0.343 85 H C 0.624 175.983 175.328 0.052 0.000 1.160 85 H CA -0.794 55.243 56.048 -0.020 0.000 1.218 85 H CB 1.314 31.064 29.762 -0.020 0.000 1.566 85 H HN 0.120 nan 8.280 nan 0.000 0.522 86 L N 1.486 122.879 121.223 0.283 0.000 2.034 86 L HA -0.103 4.241 4.340 0.005 0.000 0.203 86 L C 1.888 178.840 176.870 0.137 0.000 1.074 86 L CA 1.031 56.001 54.840 0.218 0.000 0.748 86 L CB -0.023 42.110 42.059 0.124 0.000 0.905 86 L HN 0.437 nan 8.230 nan 0.000 0.439 87 V N -1.505 118.515 119.914 0.177 0.000 2.950 87 V HA 0.092 4.215 4.120 0.005 0.000 0.231 87 V C 0.602 176.801 176.094 0.174 0.000 1.205 87 V CA 0.017 62.400 62.300 0.138 0.000 1.239 87 V CB -0.027 31.829 31.823 0.054 0.000 1.050 87 V HN 0.367 nan 8.190 nan 0.000 0.498 88 R N -0.999 119.542 120.500 0.068 0.000 2.589 88 R HA 0.395 4.739 4.340 0.005 0.000 0.293 88 R C 0.915 176.976 176.300 -0.398 0.000 0.963 88 R CA -0.585 55.465 56.100 -0.083 0.000 0.905 88 R CB 1.031 31.311 30.300 -0.033 0.000 1.144 88 R HN 0.235 nan 8.270 nan 0.000 0.459 89 Y N 2.569 122.473 120.300 -0.659 0.000 2.193 89 Y HA -0.282 4.271 4.550 0.005 0.000 0.285 89 Y C 2.223 177.908 175.900 -0.359 0.000 1.166 89 Y CA 2.768 60.435 58.100 -0.721 0.000 1.181 89 Y CB -0.071 38.205 38.460 -0.307 0.000 0.976 89 Y HN 0.850 nan 8.280 nan 0.000 0.520 90 T N -2.386 112.000 114.554 -0.280 0.000 3.077 90 T HA -0.164 4.189 4.350 0.005 0.000 0.269 90 T C 1.308 175.914 174.700 -0.156 0.000 1.146 90 T CA 1.388 63.299 62.100 -0.316 0.000 1.091 90 T CB -0.478 68.251 68.868 -0.232 0.000 0.892 90 T HN 0.593 nan 8.240 nan 0.000 0.533 91 E N 0.959 121.078 120.200 -0.135 0.000 2.268 91 E HA -0.032 4.321 4.350 0.005 0.000 0.195 91 E C 2.417 179.016 176.600 -0.002 0.000 0.995 91 E CA 0.439 56.826 56.400 -0.021 0.000 0.836 91 E CB -0.126 29.596 29.700 0.038 0.000 0.763 91 E HN 0.563 nan 8.360 nan 0.000 0.491 92 R N 0.466 120.911 120.500 -0.092 0.000 2.148 92 R HA -0.025 4.318 4.340 0.005 0.000 0.227 92 R C 0.197 176.580 176.300 0.138 0.000 1.103 92 R CA 0.582 56.665 56.100 -0.029 0.000 0.983 92 R CB 0.271 30.468 30.300 -0.173 0.000 0.874 92 R HN -0.045 nan 8.270 nan 0.000 0.451 93 V N 1.828 121.825 119.914 0.138 0.000 2.376 93 V HA 0.319 4.442 4.120 0.005 0.000 0.287 93 V C -0.300 175.917 176.094 0.205 0.000 1.015 93 V CA -0.751 61.668 62.300 0.198 0.000 0.834 93 V CB 1.614 33.471 31.823 0.056 0.000 1.001 93 V HN 0.134 nan 8.190 nan 0.000 0.428 94 R N 3.103 123.758 120.500 0.259 0.000 2.589 94 R HA 0.836 5.179 4.340 0.005 0.000 0.293 94 R C -1.426 175.000 176.300 0.210 0.000 0.963 94 R CA -0.766 55.446 56.100 0.187 0.000 0.905 94 R CB 2.651 33.029 30.300 0.131 0.000 1.144 94 R HN 0.469 nan 8.270 nan 0.000 0.459 95 V N 3.793 123.790 119.914 0.139 0.000 2.483 95 V HA 0.113 4.236 4.120 0.005 0.000 0.297 95 V C -0.258 175.870 176.094 0.056 0.000 1.027 95 V CA -0.610 61.751 62.300 0.101 0.000 0.855 95 V CB 1.592 33.476 31.823 0.102 0.000 0.995 95 V HN 0.746 nan 8.190 nan 0.000 0.424 96 Q N 3.370 123.191 119.800 0.034 0.000 2.475 96 Q HA -0.227 4.116 4.340 0.005 0.000 0.280 96 Q C 1.287 177.303 176.000 0.026 0.000 1.234 96 Q CA 1.531 57.348 55.803 0.023 0.000 0.873 96 Q CB -1.639 27.110 28.738 0.018 0.000 1.256 96 Q HN 1.844 nan 8.270 nan 0.000 0.475 97 G N -1.433 107.386 108.800 0.033 0.000 2.189 97 G HA2 -0.314 3.649 3.960 0.005 0.000 0.267 97 G HA3 -0.314 3.649 3.960 0.005 0.000 0.267 97 G C 0.070 174.995 174.900 0.042 0.000 0.975 97 G CA 0.816 45.937 45.100 0.033 0.000 0.644 97 G HN 0.340 nan 8.290 nan 0.000 0.537 98 Q N 0.103 119.932 119.800 0.049 0.000 2.351 98 Q HA 0.547 4.890 4.340 0.005 0.000 0.273 98 Q C 0.080 176.121 176.000 0.069 0.000 1.077 98 Q CA -0.661 55.172 55.803 0.051 0.000 0.843 98 Q CB 1.452 30.214 28.738 0.041 0.000 1.367 98 Q HN 0.604 nan 8.270 nan 0.000 0.449 99 E N 0.754 120.994 120.200 0.067 0.000 2.374 99 E HA 0.376 4.729 4.350 0.005 0.000 0.260 99 E C -0.346 176.313 176.600 0.098 0.000 1.101 99 E CA -0.304 56.149 56.400 0.088 0.000 0.907 99 E CB 0.851 30.590 29.700 0.066 0.000 1.014 99 E HN 0.280 nan 8.360 nan 0.000 0.427 100 L N 2.091 123.406 121.223 0.153 0.000 2.352 100 L HA 0.422 4.765 4.340 0.005 0.000 0.269 100 L C -2.143 174.827 176.870 0.167 0.000 1.034 100 L CA -2.378 52.538 54.840 0.125 0.000 0.806 100 L CB 0.723 42.809 42.059 0.045 0.000 1.244 100 L HN 0.254 nan 8.230 nan 0.000 0.447 101 P HA 0.002 nan 4.420 nan 0.000 0.266 101 P C -0.091 177.313 177.300 0.173 0.000 1.193 101 P CA 0.042 63.205 63.100 0.105 0.000 0.770 101 P CB 0.606 32.344 31.700 0.063 0.000 0.836 102 E N 0.695 120.969 120.200 0.122 0.000 2.153 102 E HA -0.166 4.187 4.350 0.005 0.000 0.194 102 E C 1.761 178.428 176.600 0.111 0.000 0.988 102 E CA 1.797 58.265 56.400 0.114 0.000 0.811 102 E CB -0.478 29.262 29.700 0.067 0.000 0.746 102 E HN 0.492 nan 8.360 nan 0.000 0.466 103 S N -0.096 115.653 115.700 0.082 0.000 2.453 103 S HA 0.044 4.518 4.470 0.005 0.000 0.231 103 S C 2.099 176.710 174.600 0.019 0.000 1.005 103 S CA 0.578 58.810 58.200 0.054 0.000 0.949 103 S CB -0.029 63.201 63.200 0.051 0.000 0.774 103 S HN 0.281 nan 8.310 nan 0.000 0.510 104 A N 2.277 125.112 122.820 0.025 0.000 1.897 104 A HA -0.064 4.259 4.320 0.005 0.000 0.215 104 A C 2.140 179.627 177.584 -0.162 0.000 1.181 104 A CA 1.204 53.221 52.037 -0.034 0.000 0.620 104 A CB -1.020 17.945 19.000 -0.058 0.000 0.821 104 A HN 0.659 nan 8.150 nan 0.000 0.443 105 H N 0.075 119.018 119.070 -0.210 0.000 2.353 105 H HA -0.111 4.448 4.556 0.005 0.000 0.300 105 H C 2.566 177.436 175.328 -0.764 0.000 1.090 105 H CA 2.107 57.866 56.048 -0.481 0.000 1.327 105 H CB -0.382 29.196 29.762 -0.306 0.000 1.383 105 H HN 0.704 nan 8.280 nan 0.000 0.508 106 T N -1.126 113.251 114.554 -0.295 0.000 2.904 106 T HA 0.040 4.393 4.350 0.005 0.000 0.267 106 T C 2.314 176.768 174.700 -0.410 0.000 1.059 106 T CA 0.849 62.727 62.100 -0.371 0.000 1.137 106 T CB -0.331 68.566 68.868 0.048 0.000 0.879 106 T HN 0.306 nan 8.240 nan 0.000 0.467 107 A N 2.345 125.002 122.820 -0.271 0.000 1.898 107 A HA -0.013 4.310 4.320 0.005 0.000 0.216 107 A C 2.781 180.035 177.584 -0.548 0.000 1.181 107 A CA 2.228 54.113 52.037 -0.253 0.000 0.620 107 A CB -1.202 17.747 19.000 -0.085 0.000 0.819 107 A HN 0.735 nan 8.150 nan 0.000 0.442 108 S N -0.965 114.307 115.700 -0.712 0.000 2.382 108 S HA -0.137 4.337 4.470 0.005 0.000 0.228 108 S C 1.737 175.857 174.600 -0.801 0.000 1.027 108 S CA 1.464 59.005 58.200 -1.099 0.000 0.991 108 S CB -0.691 62.120 63.200 -0.648 0.000 0.823 108 S HN 0.304 nan 8.310 nan 0.000 0.469 109 F N 2.635 122.121 119.950 -0.773 0.000 2.146 109 F HA 0.231 4.761 4.527 0.005 0.000 0.298 109 F C 2.961 178.269 175.800 -0.820 0.000 1.096 109 F CA 0.013 57.427 58.000 -0.977 0.000 1.275 109 F CB -1.425 36.449 39.000 -1.877 0.000 1.008 109 F HN 0.344 nan 8.300 nan 0.000 0.480 110 A N -0.307 122.223 122.820 -0.483 0.000 1.933 110 A HA -0.155 4.168 4.320 0.005 0.000 0.218 110 A C 2.224 179.727 177.584 -0.135 0.000 1.175 110 A CA 1.540 53.533 52.037 -0.072 0.000 0.628 110 A CB -0.509 18.514 19.000 0.039 0.000 0.814 110 A HN 0.252 nan 8.150 nan 0.000 0.444 111 E N -0.145 119.844 120.200 -0.351 0.000 2.072 111 E HA -0.129 4.224 4.350 0.005 0.000 0.191 111 E C 1.936 178.368 176.600 -0.280 0.000 0.985 111 E CA 1.091 57.256 56.400 -0.391 0.000 0.801 111 E CB -0.349 28.854 29.700 -0.829 0.000 0.750 111 E HN 0.722 nan 8.360 nan 0.000 0.452 112 I N 0.960 121.365 120.570 -0.274 0.000 2.252 112 I HA -0.237 3.936 4.170 0.005 0.000 0.245 112 I C 2.488 178.611 176.117 0.009 0.000 1.102 112 I CA 1.001 62.227 61.300 -0.123 0.000 1.385 112 I CB -0.113 37.864 38.000 -0.038 0.000 1.064 112 I HN 0.014 nan 8.210 nan 0.000 0.414 113 E N 0.999 121.270 120.200 0.119 0.000 2.085 113 E HA -0.235 4.119 4.350 0.005 0.000 0.194 113 E C 2.267 178.931 176.600 0.106 0.000 0.994 113 E CA 2.047 58.578 56.400 0.219 0.000 0.801 113 E CB -0.167 29.741 29.700 0.346 0.000 0.743 113 E HN 0.523 nan 8.360 nan 0.000 0.453 114 S N -0.256 115.472 115.700 0.047 0.000 2.371 114 S HA 0.022 4.495 4.470 0.005 0.000 0.224 114 S C 2.275 176.878 174.600 0.004 0.000 1.029 114 S CA 0.899 59.113 58.200 0.023 0.000 0.978 114 S CB -0.516 62.689 63.200 0.007 0.000 0.833 114 S HN 0.351 nan 8.310 nan 0.000 0.466 115 A N 3.309 126.117 122.820 -0.021 0.000 1.972 115 A HA -0.102 4.222 4.320 0.005 0.000 0.219 115 A C 2.342 179.911 177.584 -0.025 0.000 1.169 115 A CA 1.498 53.519 52.037 -0.027 0.000 0.635 115 A CB -0.826 18.145 19.000 -0.048 0.000 0.810 115 A HN 0.816 nan 8.150 nan 0.000 0.446 116 R N -0.825 119.660 120.500 -0.026 0.000 2.189 116 R HA 0.207 4.550 4.340 0.005 0.000 0.223 116 R C 1.520 177.814 176.300 -0.011 0.000 1.092 116 R CA 1.072 57.151 56.100 -0.036 0.000 0.989 116 R CB -0.925 29.337 30.300 -0.064 0.000 0.876 116 R HN 0.680 nan 8.270 nan 0.000 0.457 117 G N 1.994 110.798 108.800 0.007 0.000 2.596 117 G HA2 -0.446 3.517 3.960 0.005 0.000 0.304 117 G HA3 -0.446 3.517 3.960 0.005 0.000 0.304 117 G C 0.155 175.067 174.900 0.020 0.000 1.189 117 G CA 0.630 45.737 45.100 0.012 0.000 0.986 117 G HN 0.653 nan 8.290 nan 0.000 0.548 118 D N 0.777 121.185 120.400 0.013 0.000 2.388 118 D HA 0.261 4.905 4.640 0.005 0.000 0.221 118 D C 0.959 177.265 176.300 0.010 0.000 1.133 118 D CA -0.208 53.803 54.000 0.017 0.000 0.831 118 D CB -0.291 40.517 40.800 0.014 0.000 0.962 118 D HN 0.625 nan 8.370 nan 0.000 0.502 119 I N 1.010 121.579 120.570 -0.002 0.000 2.371 119 I HA 0.097 4.270 4.170 0.005 0.000 0.290 119 I C 0.318 176.422 176.117 -0.021 0.000 1.028 119 I CA -0.347 60.943 61.300 -0.017 0.000 1.345 119 I CB 1.275 39.254 38.000 -0.034 0.000 1.407 119 I HN -0.169 nan 8.210 nan 0.000 0.501 120 S N 6.857 122.548 115.700 -0.015 0.000 2.554 120 S HA 0.654 5.127 4.470 0.005 0.000 0.278 120 S C -0.235 174.334 174.600 -0.051 0.000 1.242 120 S CA -0.511 57.685 58.200 -0.007 0.000 1.051 120 S CB 0.919 64.129 63.200 0.017 0.000 0.986 120 S HN 0.314 nan 8.310 nan 0.000 0.502 121 L N 1.814 122.989 121.223 -0.080 0.000 2.333 121 L HA 0.600 4.943 4.340 0.005 0.000 0.263 121 L C 0.602 177.496 176.870 0.039 0.000 1.014 121 L CA -0.947 53.805 54.840 -0.148 0.000 0.820 121 L CB 2.194 43.944 42.059 -0.515 0.000 1.352 121 L HN 0.659 nan 8.230 nan 0.000 0.421 122 T N -3.358 111.243 114.554 0.078 0.000 2.862 122 T HA 0.197 4.551 4.350 0.005 0.000 0.276 122 T C 0.896 175.803 174.700 0.345 0.000 0.974 122 T CA -0.194 62.022 62.100 0.193 0.000 0.966 122 T CB 0.840 69.802 68.868 0.157 0.000 1.072 122 T HN 0.519 nan 8.240 nan 0.000 0.538 123 Y N 0.468 120.898 120.300 0.216 0.000 2.053 123 Y HA -0.159 4.394 4.550 0.005 0.000 0.277 123 Y C 2.035 178.120 175.900 0.307 0.000 1.159 123 Y CA 1.985 60.218 58.100 0.223 0.000 1.125 123 Y CB -0.471 38.077 38.460 0.146 0.000 0.969 123 Y HN 0.717 nan 8.280 nan 0.000 0.492 124 F N 1.039 121.185 119.950 0.326 0.000 2.269 124 F HA -0.134 4.397 4.527 0.006 0.000 0.301 124 F C 2.098 177.999 175.800 0.168 0.000 1.082 124 F CA 1.839 59.986 58.000 0.245 0.000 1.360 124 F CB -0.293 38.831 39.000 0.207 0.000 1.041 124 F HN 0.176 nan 8.300 nan 0.000 0.512 125 E N -1.255 119.036 120.200 0.153 0.000 2.072 125 E HA -0.227 4.127 4.350 0.005 0.000 0.191 125 E C 2.055 178.608 176.600 -0.078 0.000 0.985 125 E CA 1.448 57.845 56.400 -0.006 0.000 0.801 125 E CB -0.368 29.320 29.700 -0.021 0.000 0.750 125 E HN 0.488 nan 8.360 nan 0.000 0.452 126 Y N 0.366 120.624 120.300 -0.071 0.000 2.097 126 Y HA -0.210 4.343 4.550 0.005 0.000 0.282 126 Y C 2.560 178.436 175.900 -0.041 0.000 1.152 126 Y CA 1.410 59.463 58.100 -0.078 0.000 1.136 126 Y CB -0.532 37.831 38.460 -0.163 0.000 0.975 126 Y HN 0.123 nan 8.280 nan 0.000 0.498 127 G N -1.625 107.237 108.800 0.103 0.000 2.432 127 G HA2 -0.218 3.745 3.960 0.005 0.000 0.219 127 G HA3 -0.218 3.745 3.960 0.005 0.000 0.219 127 G C 1.661 176.478 174.900 -0.138 0.000 1.135 127 G CA 1.560 46.734 45.100 0.123 0.000 0.767 127 G HN 0.329 nan 8.290 nan 0.000 0.550 128 T N 1.193 115.548 114.554 -0.332 0.000 2.812 128 T HA 0.039 4.392 4.350 0.005 0.000 0.264 128 T C 2.420 176.888 174.700 -0.386 0.000 1.042 128 T CA 0.614 62.394 62.100 -0.532 0.000 1.140 128 T CB -0.157 68.440 68.868 -0.451 0.000 0.870 128 T HN 0.135 nan 8.240 nan 0.000 0.445 129 L N 0.976 122.071 121.223 -0.214 0.000 2.083 129 L HA -0.099 4.245 4.340 0.005 0.000 0.209 129 L C 2.887 179.679 176.870 -0.130 0.000 1.083 129 L CA 1.106 55.860 54.840 -0.144 0.000 0.752 129 L CB -0.579 41.410 42.059 -0.115 0.000 0.899 129 L HN 0.303 nan 8.230 nan 0.000 0.433 130 S N -0.122 115.503 115.700 -0.125 0.000 2.356 130 S HA -0.203 4.270 4.470 0.005 0.000 0.223 130 S C 2.149 176.580 174.600 -0.282 0.000 1.032 130 S CA 1.313 59.410 58.200 -0.171 0.000 1.005 130 S CB -0.102 63.006 63.200 -0.154 0.000 0.867 130 S HN 0.423 nan 8.310 nan 0.000 0.449 131 A N 1.545 124.086 122.820 -0.464 0.000 1.902 131 A HA 0.062 4.385 4.320 0.005 0.000 0.217 131 A C 2.274 179.339 177.584 -0.865 0.000 1.181 131 A CA 1.507 53.049 52.037 -0.826 0.000 0.623 131 A CB -0.894 17.417 19.000 -1.148 0.000 0.818 131 A HN 0.588 nan 8.150 nan 0.000 0.443 132 L N -2.727 118.218 121.223 -0.464 0.000 2.042 132 L HA -0.224 4.119 4.340 0.005 0.000 0.210 132 L C 2.529 179.354 176.870 -0.075 0.000 1.076 132 L CA 1.730 56.472 54.840 -0.164 0.000 0.749 132 L CB -0.476 41.536 42.059 -0.079 0.000 0.893 132 L HN 0.749 nan 8.230 nan 0.000 0.432 133 W N 0.669 121.813 121.300 -0.260 0.000 2.379 133 W HA -0.165 4.498 4.660 0.005 0.000 0.307 133 W C 2.310 178.698 176.519 -0.219 0.000 1.200 133 W CA 1.285 58.508 57.345 -0.203 0.000 1.297 133 W CB -0.154 29.180 29.460 -0.210 0.000 1.140 133 W HN -0.061 nan 8.180 nan 0.000 0.507 134 L N -0.737 120.408 121.223 -0.131 0.000 2.083 134 L HA -0.233 4.111 4.340 0.005 0.000 0.209 134 L C 2.481 179.212 176.870 -0.233 0.000 1.083 134 L CA 1.480 56.149 54.840 -0.285 0.000 0.752 134 L CB -0.954 40.881 42.059 -0.372 0.000 0.899 134 L HN 0.007 nan 8.230 nan 0.000 0.433 135 F N 0.015 119.857 119.950 -0.180 0.000 2.146 135 F HA -0.249 4.281 4.527 0.005 0.000 0.298 135 F C 2.694 178.383 175.800 -0.185 0.000 1.096 135 F CA 0.730 58.642 58.000 -0.147 0.000 1.275 135 F CB -0.107 38.833 39.000 -0.100 0.000 1.008 135 F HN -0.023 nan 8.300 nan 0.000 0.480 136 K N 0.420 120.791 120.400 -0.048 0.000 2.026 136 K HA -0.186 4.137 4.320 0.005 0.000 0.208 136 K C 2.068 178.519 176.600 -0.248 0.000 1.048 136 K CA 1.229 57.427 56.287 -0.149 0.000 0.929 136 K CB -0.185 32.198 32.500 -0.195 0.000 0.713 136 K HN 0.048 nan 8.250 nan 0.000 0.439 137 Q N -0.345 119.191 119.800 -0.442 0.000 2.181 137 Q HA -0.102 4.241 4.340 0.005 0.000 0.205 137 Q C 1.976 177.830 176.000 -0.243 0.000 0.980 137 Q CA 1.581 57.111 55.803 -0.454 0.000 0.862 137 Q CB -0.273 28.034 28.738 -0.717 0.000 0.905 137 Q HN 0.443 nan 8.270 nan 0.000 0.429 138 A N 0.490 123.214 122.820 -0.161 0.000 2.167 138 A HA -0.072 4.252 4.320 0.005 0.000 0.214 138 A C 0.375 177.925 177.584 -0.056 0.000 1.151 138 A CA 0.153 52.143 52.037 -0.078 0.000 0.735 138 A CB 0.107 19.099 19.000 -0.013 0.000 0.802 138 A HN 0.309 nan 8.150 nan 0.000 0.467 139 Q N -0.845 118.917 119.800 -0.065 0.000 2.454 139 Q HA -0.180 4.163 4.340 0.005 0.000 0.341 139 Q C -0.630 175.355 176.000 -0.025 0.000 1.437 139 Q CA 0.813 56.588 55.803 -0.046 0.000 0.935 139 Q CB -2.233 26.476 28.738 -0.049 0.000 1.164 139 Q HN 0.690 nan 8.270 nan 0.000 0.373 140 L N -0.148 121.063 121.223 -0.020 0.000 2.431 140 L HA 0.286 4.630 4.340 0.005 0.000 0.260 140 L C 1.569 178.447 176.870 0.015 0.000 1.098 140 L CA -0.718 54.114 54.840 -0.012 0.000 0.800 140 L CB 0.385 42.413 42.059 -0.052 0.000 1.210 140 L HN 0.006 nan 8.230 nan 0.000 0.465 141 D N -0.278 120.155 120.400 0.054 0.000 2.259 141 D HA 0.094 4.738 4.640 0.005 0.000 0.216 141 D C 0.001 176.364 176.300 0.105 0.000 0.961 141 D CA 1.115 55.184 54.000 0.115 0.000 0.878 141 D CB 0.739 41.689 40.800 0.249 0.000 1.009 141 D HN 0.130 nan 8.370 nan 0.000 0.490 142 V N 1.261 121.213 119.914 0.063 0.000 2.709 142 V HA 0.387 4.510 4.120 0.005 0.000 0.308 142 V C -0.302 175.771 176.094 -0.034 0.000 1.062 142 V CA -0.833 61.505 62.300 0.064 0.000 0.901 142 V CB 2.969 34.823 31.823 0.052 0.000 1.003 142 V HN -0.257 nan 8.190 nan 0.000 0.425 143 V N 5.499 125.393 119.914 -0.034 0.000 2.540 143 V HA 0.566 4.690 4.120 0.005 0.000 0.302 143 V C -0.549 175.535 176.094 -0.017 0.000 1.035 143 V CA -0.404 61.768 62.300 -0.213 0.000 0.873 143 V CB 2.014 33.648 31.823 -0.313 0.000 0.992 143 V HN 0.724 nan 8.190 nan 0.000 0.428 144 I N 5.979 126.522 120.570 -0.045 0.000 2.382 144 I HA 0.452 4.626 4.170 0.005 0.000 0.286 144 I C -0.745 175.464 176.117 0.152 0.000 1.002 144 I CA -0.320 61.039 61.300 0.099 0.000 1.135 144 I CB 1.499 39.521 38.000 0.037 0.000 1.288 144 I HN 0.310 nan 8.210 nan 0.000 0.448 145 L N 6.353 127.703 121.223 0.211 0.000 2.287 145 L HA 0.459 4.802 4.340 0.005 0.000 0.287 145 L C 0.092 177.105 176.870 0.240 0.000 1.022 145 L CA -0.484 54.537 54.840 0.302 0.000 0.814 145 L CB 1.510 43.747 42.059 0.296 0.000 1.217 145 L HN 0.607 nan 8.230 nan 0.000 0.420 146 E N 3.065 123.389 120.200 0.208 0.000 2.200 146 E HA 0.310 4.663 4.350 0.005 0.000 0.283 146 E C -0.808 175.873 176.600 0.136 0.000 1.015 146 E CA -0.732 55.737 56.400 0.116 0.000 0.819 146 E CB 1.524 31.245 29.700 0.036 0.000 1.081 146 E HN 0.329 nan 8.360 nan 0.000 0.397 147 V N 4.774 124.767 119.914 0.132 0.000 2.655 147 V HA 0.029 4.152 4.120 0.005 0.000 0.300 147 V C 1.488 177.621 176.094 0.065 0.000 1.044 147 V CA 0.889 63.272 62.300 0.138 0.000 1.095 147 V CB 1.263 33.138 31.823 0.086 0.000 0.952 147 V HN 1.000 nan 8.190 nan 0.000 0.485 148 G N 4.237 113.073 108.800 0.061 0.000 2.424 148 G HA2 0.030 3.993 3.960 0.005 0.000 0.214 148 G HA3 0.030 3.993 3.960 0.005 0.000 0.214 148 G C 0.264 174.933 174.900 -0.385 0.000 1.202 148 G CA 0.613 45.493 45.100 -0.366 0.000 0.793 148 G HN 0.461 nan 8.290 nan 0.000 0.534 149 L N -0.506 120.520 121.223 -0.329 0.000 2.562 149 L HA 0.557 4.900 4.340 0.005 0.000 0.266 149 L C 0.708 177.466 176.870 -0.186 0.000 0.949 149 L CA 0.841 55.481 54.840 -0.332 0.000 0.879 149 L CB 0.824 42.615 42.059 -0.447 0.000 1.278 149 L HN 0.944 nan 8.230 nan 0.000 0.404 150 G N 4.501 113.234 108.800 -0.112 0.000 2.559 150 G HA2 -0.048 3.915 3.960 0.005 0.000 0.282 150 G HA3 -0.048 3.915 3.960 0.005 0.000 0.282 150 G C 0.423 175.302 174.900 -0.036 0.000 1.177 150 G CA 0.559 45.630 45.100 -0.048 0.000 0.960 150 G HN 1.834 nan 8.290 nan 0.000 0.540 151 G N -1.674 107.103 108.800 -0.039 0.000 4.103 151 G HA2 0.297 4.260 3.960 0.005 0.000 0.123 151 G HA3 0.297 4.260 3.960 0.005 0.000 0.123 151 G C 1.108 175.992 174.900 -0.027 0.000 1.189 151 G CA 1.081 46.162 45.100 -0.030 0.000 1.111 151 G HN 0.947 nan 8.290 nan 0.000 0.399 152 R N 0.256 120.729 120.500 -0.044 0.000 2.140 152 R HA 0.004 4.347 4.340 0.005 0.000 0.250 152 R C 1.706 177.991 176.300 -0.024 0.000 1.150 152 R CA 1.860 57.939 56.100 -0.035 0.000 0.966 152 R CB -0.357 29.919 30.300 -0.040 0.000 0.869 152 R HN 0.388 nan 8.270 nan 0.000 0.445 153 L N -0.107 121.094 121.223 -0.036 0.000 2.728 153 L HA 0.194 4.537 4.340 0.005 0.000 0.238 153 L C -0.074 176.779 176.870 -0.029 0.000 1.143 153 L CA -0.514 54.301 54.840 -0.042 0.000 0.937 153 L CB 0.360 42.373 42.059 -0.077 0.000 1.225 153 L HN 0.125 nan 8.230 nan 0.000 0.507 154 D N 0.056 120.455 120.400 -0.000 0.000 2.350 154 D HA 0.237 4.880 4.640 0.005 0.000 0.249 154 D C 1.319 177.704 176.300 0.141 0.000 1.119 154 D CA 0.396 54.434 54.000 0.063 0.000 0.886 154 D CB 1.735 42.576 40.800 0.069 0.000 1.195 154 D HN 0.121 nan 8.370 nan 0.000 0.437 155 A N 2.561 125.527 122.820 0.244 0.000 1.997 155 A HA -0.239 4.084 4.320 0.005 0.000 0.221 155 A C 2.070 179.744 177.584 0.150 0.000 1.172 155 A CA 2.335 54.483 52.037 0.184 0.000 0.645 155 A CB -1.227 17.888 19.000 0.192 0.000 0.813 155 A HN 0.764 nan 8.150 nan 0.000 0.454 156 T N -2.637 112.059 114.554 0.237 0.000 3.051 156 T HA -0.091 4.262 4.350 0.005 0.000 0.269 156 T C 1.327 176.102 174.700 0.126 0.000 1.127 156 T CA 1.376 63.595 62.100 0.198 0.000 1.107 156 T CB -0.488 68.555 68.868 0.291 0.000 0.898 156 T HN 0.413 nan 8.240 nan 0.000 0.517 157 N N 1.322 120.082 118.700 0.100 0.000 2.461 157 N HA 0.123 4.867 4.740 0.005 0.000 0.188 157 N C 1.534 177.068 175.510 0.040 0.000 1.134 157 N CA 0.187 53.274 53.050 0.062 0.000 0.878 157 N CB -0.540 37.973 38.487 0.044 0.000 0.972 157 N HN 0.805 nan 8.380 nan 0.000 0.456 158 I N -3.119 117.473 120.570 0.036 0.000 3.251 158 I HA 0.109 4.282 4.170 0.005 0.000 0.277 158 I C -0.160 175.965 176.117 0.013 0.000 1.268 158 I CA 0.199 61.509 61.300 0.017 0.000 1.449 158 I CB -0.114 37.891 38.000 0.008 0.000 1.083 158 I HN -0.243 nan 8.210 nan 0.000 0.464 159 V N 2.932 122.860 119.914 0.023 0.000 2.567 159 V HA 0.240 4.364 4.120 0.005 0.000 0.289 159 V C -0.546 175.551 176.094 0.005 0.000 1.049 159 V CA -0.426 61.882 62.300 0.013 0.000 0.969 159 V CB 1.427 33.267 31.823 0.028 0.000 0.995 159 V HN 0.175 nan 8.190 nan 0.000 0.471 160 D N 3.675 124.064 120.400 -0.019 0.000 2.396 160 D HA 0.467 5.110 4.640 0.005 0.000 0.225 160 D C 0.263 176.518 176.300 -0.074 0.000 1.121 160 D CA 0.055 54.035 54.000 -0.033 0.000 0.853 160 D CB 1.665 42.440 40.800 -0.042 0.000 1.043 160 D HN 0.702 nan 8.370 nan 0.000 0.500 161 A N 2.337 125.121 122.820 -0.060 0.000 2.462 161 A HA 0.053 4.376 4.320 0.005 0.000 0.243 161 A C 1.052 178.494 177.584 -0.236 0.000 1.076 161 A CA -0.137 51.827 52.037 -0.122 0.000 0.773 161 A CB 0.536 19.517 19.000 -0.032 0.000 1.010 161 A HN 0.438 nan 8.150 nan 0.000 0.493 162 D N 0.286 120.406 120.400 -0.467 0.000 2.249 162 D HA 0.075 4.718 4.640 0.005 0.000 0.205 162 D C -0.198 175.791 176.300 -0.519 0.000 0.962 162 D CA 1.325 54.912 54.000 -0.688 0.000 0.860 162 D CB 0.381 40.255 40.800 -1.543 0.000 0.955 162 D HN 0.215 nan 8.370 nan 0.000 0.505 163 V N 0.840 120.492 119.914 -0.437 0.000 2.612 163 V HA 0.498 4.621 4.120 0.005 0.000 0.301 163 V C -0.569 175.511 176.094 -0.024 0.000 1.059 163 V CA -0.951 61.231 62.300 -0.196 0.000 0.886 163 V CB 1.840 33.539 31.823 -0.206 0.000 1.007 163 V HN 0.045 nan 8.190 nan 0.000 0.426 164 A N 4.675 127.524 122.820 0.049 0.000 2.312 164 A HA 0.936 5.259 4.320 0.005 0.000 0.328 164 A C -0.793 176.930 177.584 0.232 0.000 1.158 164 A CA -0.525 51.621 52.037 0.182 0.000 0.821 164 A CB 1.508 20.702 19.000 0.323 0.000 1.170 164 A HN 0.774 nan 8.150 nan 0.000 0.490 165 V N 2.114 122.195 119.914 0.279 0.000 2.638 165 V HA 0.455 4.579 4.120 0.005 0.000 0.306 165 V C -0.740 175.513 176.094 0.265 0.000 1.052 165 V CA -0.519 61.941 62.300 0.265 0.000 0.885 165 V CB 1.878 33.830 31.823 0.214 0.000 0.999 165 V HN 0.645 nan 8.190 nan 0.000 0.424 166 V N 3.771 123.854 119.914 0.282 0.000 2.326 166 V HA 0.252 4.375 4.120 0.005 0.000 0.281 166 V C 1.240 177.451 176.094 0.195 0.000 1.015 166 V CA 0.349 62.782 62.300 0.223 0.000 0.823 166 V CB 1.458 33.424 31.823 0.238 0.000 1.009 166 V HN 1.099 nan 8.190 nan 0.000 0.436 167 T N 1.180 115.822 114.554 0.147 0.000 2.770 167 T HA 0.034 4.388 4.350 0.005 0.000 0.263 167 T C 0.761 175.534 174.700 0.122 0.000 1.039 167 T CA 1.011 63.190 62.100 0.131 0.000 1.142 167 T CB 0.119 69.042 68.868 0.091 0.000 0.868 167 T HN 0.937 nan 8.240 nan 0.000 0.435 168 S N -0.387 115.367 115.700 0.089 0.000 2.595 168 S HA 0.642 5.115 4.470 0.005 0.000 0.270 168 S C -1.903 172.686 174.600 -0.018 0.000 1.145 168 S CA -1.233 56.998 58.200 0.051 0.000 0.825 168 S CB 1.461 64.716 63.200 0.092 0.000 1.107 168 S HN 0.238 nan 8.310 nan 0.000 0.461 169 I N 1.465 121.979 120.570 -0.093 0.000 2.499 169 I HA 0.851 5.024 4.170 0.005 0.000 0.288 169 I C 0.256 176.225 176.117 -0.246 0.000 1.048 169 I CA -0.294 60.937 61.300 -0.115 0.000 1.062 169 I CB 0.983 38.952 38.000 -0.051 0.000 1.238 169 I HN 1.222 nan 8.210 nan 0.000 0.426 170 A N 6.512 129.181 122.820 -0.252 0.000 2.594 170 A HA 0.803 5.127 4.320 0.005 0.000 0.307 170 A C -1.704 175.805 177.584 -0.125 0.000 1.203 170 A CA -0.618 51.254 52.037 -0.276 0.000 0.644 170 A CB 1.247 19.888 19.000 -0.599 0.000 1.349 170 A HN 0.505 nan 8.150 nan 0.000 0.510 171 L N 1.113 122.289 121.223 -0.079 0.000 2.264 171 L HA 0.668 5.011 4.340 0.005 0.000 0.289 171 L C -0.937 175.895 176.870 -0.064 0.000 1.044 171 L CA -0.301 54.512 54.840 -0.046 0.000 0.807 171 L CB 0.931 42.977 42.059 -0.021 0.000 1.192 171 L HN 0.693 nan 8.230 nan 0.000 0.425 172 D N 1.052 121.398 120.400 -0.089 0.000 2.685 172 D HA 0.188 4.831 4.640 0.005 0.000 0.236 172 D C -0.158 176.029 176.300 -0.189 0.000 1.233 172 D CA -0.260 53.601 54.000 -0.232 0.000 0.760 172 D CB 0.979 41.583 40.800 -0.328 0.000 1.410 172 D HN 0.599 nan 8.370 nan 0.000 0.439 173 H N 0.575 119.624 119.070 -0.034 0.000 2.861 173 H HA -0.185 4.374 4.556 0.004 0.000 0.289 173 H C 1.260 176.571 175.328 -0.028 0.000 1.176 173 H CA 1.309 57.346 56.048 -0.019 0.000 1.146 173 H CB -2.335 27.476 29.762 0.081 0.000 1.330 173 H HN 0.519 nan 8.280 nan 0.000 0.379 174 T N -2.759 111.790 114.554 -0.007 0.000 2.822 174 T HA -0.175 4.178 4.350 0.005 0.000 0.270 174 T C 1.512 176.182 174.700 -0.050 0.000 1.064 174 T CA 1.700 63.793 62.100 -0.012 0.000 1.131 174 T CB 0.052 68.898 68.868 -0.036 0.000 0.858 174 T HN 0.198 nan 8.240 nan 0.000 0.483 175 D N 0.200 120.498 120.400 -0.171 0.000 2.218 175 D HA 0.023 4.666 4.640 0.005 0.000 0.204 175 D C 1.329 177.437 176.300 -0.321 0.000 0.976 175 D CA 0.835 54.630 54.000 -0.343 0.000 0.853 175 D CB -0.232 40.215 40.800 -0.589 0.000 0.939 175 D HN 0.703 nan 8.370 nan 0.000 0.481 176 W N -0.494 120.824 121.300 0.031 0.000 2.699 176 W HA 0.243 4.903 4.660 0.001 0.000 0.265 176 W C 1.559 178.082 176.519 0.006 0.000 1.210 176 W CA -0.221 57.130 57.345 0.011 0.000 1.414 176 W CB 0.270 29.727 29.460 -0.005 0.000 1.043 176 W HN -0.152 nan 8.180 nan 0.000 0.599 177 L N 0.118 121.501 121.223 0.266 0.000 2.607 177 L HA 0.484 4.827 4.340 0.005 0.000 0.228 177 L C 0.771 177.694 176.870 0.088 0.000 1.123 177 L CA 0.410 55.341 54.840 0.151 0.000 0.890 177 L CB -0.593 41.543 42.059 0.129 0.000 1.103 177 L HN -0.011 nan 8.230 nan 0.000 0.468 178 G N 0.617 109.460 108.800 0.073 0.000 2.515 178 G HA2 -0.092 3.871 3.960 0.005 0.000 0.686 178 G HA3 -0.092 3.871 3.960 0.005 0.000 0.686 178 G C -2.700 172.213 174.900 0.020 0.000 1.274 178 G CA -0.456 44.668 45.100 0.040 0.000 0.874 178 G HN -0.138 nan 8.290 nan 0.000 0.631 179 P HA 0.178 nan 4.420 nan 0.000 0.245 179 P C 0.127 177.428 177.300 0.002 0.000 1.206 179 P CA 1.369 64.469 63.100 0.000 0.000 0.781 179 P CB 0.049 31.748 31.700 -0.002 0.000 0.994 180 D N -2.853 117.550 120.400 0.005 0.000 2.592 180 D HA 0.274 4.917 4.640 0.005 0.000 0.263 180 D C 1.025 177.325 176.300 -0.001 0.000 1.132 180 D CA -1.027 52.975 54.000 0.003 0.000 0.996 180 D CB 0.832 41.635 40.800 0.005 0.000 1.442 180 D HN -0.371 nan 8.370 nan 0.000 0.486 181 R N -0.470 120.027 120.500 -0.005 0.000 2.120 181 R HA -0.098 4.245 4.340 0.005 0.000 0.234 181 R C 1.112 177.408 176.300 -0.007 0.000 1.123 181 R CA 1.310 57.403 56.100 -0.013 0.000 0.975 181 R CB -0.147 30.143 30.300 -0.017 0.000 0.866 181 R HN 0.509 nan 8.270 nan 0.000 0.446 182 E N 0.114 120.314 120.200 -0.001 0.000 2.072 182 E HA -0.130 4.223 4.350 0.005 0.000 0.191 182 E C 2.115 178.715 176.600 0.000 0.000 0.985 182 E CA 1.736 58.137 56.400 0.001 0.000 0.801 182 E CB -0.036 29.667 29.700 0.005 0.000 0.750 182 E HN 0.305 nan 8.360 nan 0.000 0.452 183 S N 0.194 115.896 115.700 0.004 0.000 2.383 183 S HA -0.089 4.384 4.470 0.005 0.000 0.227 183 S C 2.099 176.702 174.600 0.006 0.000 1.026 183 S CA 0.721 58.925 58.200 0.007 0.000 0.981 183 S CB -0.428 62.781 63.200 0.015 0.000 0.818 183 S HN 0.167 nan 8.310 nan 0.000 0.472 184 I N 2.292 122.866 120.570 0.006 0.000 2.252 184 I HA -0.058 4.115 4.170 0.005 0.000 0.245 184 I C 2.941 179.050 176.117 -0.012 0.000 1.102 184 I CA 1.197 62.502 61.300 0.007 0.000 1.385 184 I CB -1.131 36.874 38.000 0.009 0.000 1.064 184 I HN 0.489 nan 8.210 nan 0.000 0.414 185 G N 0.955 109.744 108.800 -0.018 0.000 2.440 185 G HA2 -0.303 3.660 3.960 0.005 0.000 0.218 185 G HA3 -0.303 3.660 3.960 0.005 0.000 0.218 185 G C 1.742 176.604 174.900 -0.063 0.000 1.154 185 G CA 0.957 46.038 45.100 -0.031 0.000 0.767 185 G HN 0.325 nan 8.290 nan 0.000 0.552 186 R N 0.541 121.013 120.500 -0.045 0.000 2.083 186 R HA -0.052 4.291 4.340 0.005 0.000 0.237 186 R C 0.986 177.235 176.300 -0.086 0.000 1.137 186 R CA 1.154 57.218 56.100 -0.059 0.000 0.951 186 R CB -0.248 30.035 30.300 -0.028 0.000 0.851 186 R HN 0.242 nan 8.270 nan 0.000 0.434 190 G N 1.454 110.067 108.800 -0.313 0.000 2.470 190 G HA2 -0.059 3.904 3.960 0.005 0.000 0.220 190 G HA3 -0.059 3.904 3.960 0.005 0.000 0.220 190 G C 1.328 176.176 174.900 -0.086 0.000 1.121 190 G CA 1.423 46.432 45.100 -0.152 0.000 0.766 190 G HN 1.161 nan 8.290 nan 0.000 0.553 191 I N -2.995 117.519 120.570 -0.094 0.000 3.176 191 I HA 0.253 4.426 4.170 0.005 0.000 0.275 191 I C 0.319 176.553 176.117 0.195 0.000 1.298 191 I CA -0.523 60.805 61.300 0.047 0.000 1.445 191 I CB -0.320 37.728 38.000 0.081 0.000 1.075 191 I HN -0.233 nan 8.210 nan 0.000 0.482 192 F N 3.029 122.994 119.950 0.025 0.000 2.485 192 F HA 0.473 5.004 4.527 0.007 0.000 0.327 192 F C 0.939 176.742 175.800 0.004 0.000 1.203 192 F CA -0.397 57.615 58.000 0.019 0.000 1.295 192 F CB 0.109 39.125 39.000 0.027 0.000 1.191 192 F HN 0.088 nan 8.300 nan 0.000 0.588 193 R N -0.104 120.504 120.500 0.179 0.000 2.740 193 R HA 0.201 4.544 4.340 0.005 0.000 0.273 193 R C -0.830 175.490 176.300 0.034 0.000 0.998 193 R CA -1.029 55.116 56.100 0.076 0.000 0.900 193 R CB 1.763 32.077 30.300 0.024 0.000 1.223 193 R HN 0.559 nan 8.270 nan 0.000 0.466 194 S N 1.885 117.599 115.700 0.024 0.000 2.546 194 S HA -0.041 4.432 4.470 0.005 0.000 0.290 194 S C 0.334 174.928 174.600 -0.010 0.000 1.290 194 S CA 0.599 58.805 58.200 0.010 0.000 1.069 194 S CB 0.085 63.291 63.200 0.010 0.000 0.846 194 S HN 0.472 nan 8.310 nan 0.000 0.495 195 E N 0.742 120.933 120.200 -0.013 0.000 2.722 195 E HA -0.158 4.195 4.350 0.005 0.000 0.265 195 E C -0.746 175.833 176.600 -0.035 0.000 1.081 195 E CA 1.021 57.409 56.400 -0.020 0.000 0.781 195 E CB -0.835 28.857 29.700 -0.014 0.000 1.372 195 E HN 0.525 nan 8.360 nan 0.000 0.423 196 K N -0.163 120.205 120.400 -0.052 0.000 2.316 196 K HA 0.500 4.824 4.320 0.005 0.000 0.251 196 K C -2.570 173.977 176.600 -0.088 0.000 0.934 196 K CA -2.510 53.732 56.287 -0.074 0.000 0.802 196 K CB 1.315 33.760 32.500 -0.091 0.000 1.171 196 K HN -0.218 nan 8.250 nan 0.000 0.426 197 P HA 0.059 nan 4.420 nan 0.000 0.268 197 P C -1.020 176.199 177.300 -0.136 0.000 1.204 197 P CA -0.037 63.026 63.100 -0.061 0.000 0.768 197 P CB 0.519 32.225 31.700 0.010 0.000 0.842 198 A N 5.104 127.777 122.820 -0.246 0.000 2.508 198 A HA 0.410 4.733 4.320 0.005 0.000 0.336 198 A C -0.309 177.157 177.584 -0.198 0.000 1.360 198 A CA -0.546 51.174 52.037 -0.528 0.000 0.841 198 A CB -0.178 18.007 19.000 -1.358 0.000 1.136 198 A HN 0.340 nan 8.150 nan 0.000 0.489 199 I N 3.123 123.710 120.570 0.028 0.000 2.379 199 I HA 0.179 4.352 4.170 0.005 0.000 0.290 199 I C -0.184 176.120 176.117 0.311 0.000 1.063 199 I CA -0.195 61.235 61.300 0.216 0.000 1.351 199 I CB 0.700 38.812 38.000 0.186 0.000 1.410 199 I HN 0.221 nan 8.210 nan 0.000 0.505 200 V N 6.344 126.491 119.914 0.389 0.000 2.313 200 V HA 0.399 4.522 4.120 0.005 0.000 0.278 200 V C 1.169 177.509 176.094 0.410 0.000 1.017 200 V CA -0.401 62.105 62.300 0.343 0.000 0.823 200 V CB 1.233 33.201 31.823 0.242 0.000 1.010 200 V HN 0.939 nan 8.190 nan 0.000 0.443 201 G N 3.273 112.329 108.800 0.428 0.000 3.042 201 G HA2 0.018 3.981 3.960 0.005 0.000 0.212 201 G HA3 0.018 3.981 3.960 0.005 0.000 0.212 201 G C 0.500 175.539 174.900 0.231 0.000 1.166 201 G CA -0.050 45.339 45.100 0.482 0.000 0.767 201 G HN 0.663 nan 8.290 nan 0.000 0.546 202 E N 2.017 122.306 120.200 0.149 0.000 2.217 202 E HA 0.204 4.557 4.350 0.005 0.000 0.279 202 E C -0.998 175.615 176.600 0.021 0.000 1.068 202 E CA -2.365 54.085 56.400 0.083 0.000 0.882 202 E CB 1.462 31.202 29.700 0.067 0.000 1.039 202 E HN 0.060 nan 8.360 nan 0.000 0.418 203 P HA -0.079 nan 4.420 nan 0.000 0.223 203 P C -0.519 176.756 177.300 -0.042 0.000 1.151 203 P CA 0.874 63.945 63.100 -0.047 0.000 0.787 203 P CB 0.431 32.111 31.700 -0.032 0.000 0.788 204 E N 0.356 120.548 120.200 -0.013 0.000 2.751 204 E HA 0.240 4.593 4.350 0.005 0.000 0.219 204 E C -0.084 176.514 176.600 -0.003 0.000 1.060 204 E CA -0.582 55.812 56.400 -0.011 0.000 0.893 204 E CB 0.305 30.004 29.700 -0.001 0.000 1.300 204 E HN 0.268 nan 8.360 nan 0.000 0.433 205 M N 2.933 122.531 119.600 -0.003 0.000 2.246 205 M HA 0.171 4.654 4.480 0.005 0.000 0.350 205 M C -2.201 174.108 176.300 0.015 0.000 1.406 205 M CA -1.119 54.190 55.300 0.015 0.000 1.089 205 M CB 0.517 33.132 32.600 0.025 0.000 1.782 205 M HN -0.095 nan 8.290 nan 0.000 0.457 206 P HA 0.125 nan 4.420 nan 0.000 0.271 206 P C 0.136 177.450 177.300 0.024 0.000 1.216 206 P CA -0.264 62.845 63.100 0.014 0.000 0.776 206 P CB 0.759 32.464 31.700 0.009 0.000 0.881 207 S N 0.523 116.235 115.700 0.020 0.000 2.419 207 S HA -0.190 4.283 4.470 0.005 0.000 0.235 207 S C 1.601 176.220 174.600 0.032 0.000 1.019 207 S CA 1.780 59.995 58.200 0.025 0.000 0.982 207 S CB -1.724 61.487 63.200 0.018 0.000 0.789 207 S HN 0.616 nan 8.310 nan 0.000 0.490 208 T N 0.917 115.485 114.554 0.024 0.000 2.929 208 T HA 0.094 4.447 4.350 0.005 0.000 0.271 208 T C 1.700 176.418 174.700 0.030 0.000 1.085 208 T CA 1.050 63.163 62.100 0.021 0.000 1.125 208 T CB -0.744 68.127 68.868 0.005 0.000 0.874 208 T HN 0.479 nan 8.240 nan 0.000 0.494 209 I N 1.326 121.925 120.570 0.049 0.000 2.353 209 I HA -0.011 4.163 4.170 0.005 0.000 0.248 209 I C 3.113 179.338 176.117 0.180 0.000 1.119 209 I CA 1.004 62.363 61.300 0.099 0.000 1.417 209 I CB -0.509 37.567 38.000 0.127 0.000 1.078 209 I HN 0.322 nan 8.210 nan 0.000 0.421 210 A N 0.468 123.361 122.820 0.122 0.000 1.929 210 A HA -0.193 4.130 4.320 0.005 0.000 0.216 210 A C 1.902 179.545 177.584 0.097 0.000 1.176 210 A CA 1.626 53.729 52.037 0.111 0.000 0.628 210 A CB -0.453 18.587 19.000 0.067 0.000 0.816 210 A HN 0.295 nan 8.150 nan 0.000 0.444 211 D N -0.060 120.384 120.400 0.073 0.000 2.104 211 D HA -0.127 4.516 4.640 0.005 0.000 0.194 211 D C 2.044 178.388 176.300 0.072 0.000 0.994 211 D CA 1.606 55.641 54.000 0.057 0.000 0.830 211 D CB -0.467 40.356 40.800 0.038 0.000 0.959 211 D HN 0.204 nan 8.370 nan 0.000 0.452 212 V N 1.205 121.168 119.914 0.082 0.000 2.427 212 V HA -0.191 3.933 4.120 0.005 0.000 0.248 212 V C 2.457 178.667 176.094 0.194 0.000 1.051 212 V CA 1.632 63.987 62.300 0.091 0.000 1.048 212 V CB -0.711 31.114 31.823 0.004 0.000 0.666 212 V HN 0.183 nan 8.190 nan 0.000 0.456 213 A N -0.598 122.392 122.820 0.284 0.000 1.969 213 A HA -0.265 4.058 4.320 0.005 0.000 0.218 213 A C 2.162 179.823 177.584 0.130 0.000 1.169 213 A CA 2.024 54.224 52.037 0.271 0.000 0.635 213 A CB -0.423 18.687 19.000 0.184 0.000 0.810 213 A HN 0.524 nan 8.150 nan 0.000 0.445 214 Q N 0.234 120.094 119.800 0.100 0.000 2.049 214 Q HA -0.123 4.220 4.340 0.005 0.000 0.198 214 Q C 1.782 177.817 176.000 0.058 0.000 0.971 214 Q CA 2.048 57.888 55.803 0.063 0.000 0.833 214 Q CB -0.362 28.405 28.738 0.049 0.000 0.896 214 Q HN 0.752 nan 8.270 nan 0.000 0.434 215 E N -0.160 120.078 120.200 0.063 0.000 2.160 215 E HA -0.194 4.159 4.350 0.005 0.000 0.195 215 E C 1.643 178.275 176.600 0.054 0.000 0.991 215 E CA 1.217 57.647 56.400 0.050 0.000 0.810 215 E CB -0.003 29.724 29.700 0.045 0.000 0.742 215 E HN 0.273 nan 8.360 nan 0.000 0.466 216 K N -1.065 119.381 120.400 0.077 0.000 2.352 216 K HA 0.105 4.428 4.320 0.005 0.000 0.194 216 K C 0.941 177.574 176.600 0.056 0.000 1.038 216 K CA 0.481 56.812 56.287 0.074 0.000 1.023 216 K CB 1.009 33.579 32.500 0.117 0.000 0.840 216 K HN 0.204 nan 8.250 nan 0.000 0.519 217 G N 1.577 110.408 108.800 0.050 0.000 2.137 217 G HA2 -0.280 3.683 3.960 0.005 0.000 0.237 217 G HA3 -0.280 3.683 3.960 0.005 0.000 0.237 217 G C 0.137 175.045 174.900 0.013 0.000 1.002 217 G CA 0.122 45.238 45.100 0.028 0.000 0.702 217 G HN 0.432 nan 8.290 nan 0.000 0.515 218 A N -0.441 122.389 122.820 0.015 0.000 2.366 218 A HA 0.702 5.026 4.320 0.005 0.000 0.249 218 A C 0.742 178.276 177.584 -0.083 0.000 1.084 218 A CA -0.072 51.933 52.037 -0.053 0.000 0.794 218 A CB 0.374 19.307 19.000 -0.111 0.000 1.034 218 A HN 0.965 nan 8.150 nan 0.000 0.491 219 L N 2.502 123.660 121.223 -0.108 0.000 2.352 219 L HA 0.243 4.586 4.340 0.005 0.000 0.272 219 L C -0.152 176.660 176.870 -0.096 0.000 1.109 219 L CA -0.157 54.641 54.840 -0.070 0.000 0.952 219 L CB -0.116 41.925 42.059 -0.031 0.000 1.314 219 L HN 0.564 nan 8.230 nan 0.000 0.427 220 L N 3.986 125.155 121.223 -0.090 0.000 2.477 220 L HA 0.094 4.437 4.340 0.005 0.000 0.272 220 L C -0.057 176.823 176.870 0.017 0.000 1.157 220 L CA 0.529 55.325 54.840 -0.073 0.000 0.889 220 L CB 0.529 42.568 42.059 -0.033 0.000 1.158 220 L HN 0.688 nan 8.230 nan 0.000 0.473 221 Q N 5.724 125.573 119.800 0.080 0.000 2.397 221 Q HA 0.314 4.657 4.340 0.005 0.000 0.260 221 Q C -0.910 175.287 176.000 0.329 0.000 1.002 221 Q CA -0.529 55.401 55.803 0.213 0.000 0.716 221 Q CB 2.004 30.904 28.738 0.271 0.000 1.258 221 Q HN 0.562 nan 8.270 nan 0.000 0.477 222 R N 1.265 121.813 120.500 0.080 0.000 2.664 222 R HA 0.545 4.888 4.340 0.005 0.000 0.286 222 R C -0.526 175.298 176.300 -0.792 0.000 0.967 222 R CA -0.951 55.058 56.100 -0.151 0.000 0.933 222 R CB 1.829 32.081 30.300 -0.080 0.000 1.146 222 R HN 0.423 nan 8.270 nan 0.000 0.468 223 R N 0.856 120.630 120.500 -1.210 0.000 2.538 223 R HA 0.079 4.422 4.340 0.005 0.000 0.282 223 R C 0.563 176.451 176.300 -0.688 0.000 1.009 223 R CA 1.955 57.128 56.100 -1.546 0.000 1.063 223 R CB -0.040 29.604 30.300 -1.093 0.000 0.945 223 R HN 1.012 nan 8.270 nan 0.000 0.414 224 G N 1.884 110.360 108.800 -0.540 0.000 2.268 224 G HA2 -0.296 3.667 3.960 0.005 0.000 0.240 224 G HA3 -0.296 3.667 3.960 0.005 0.000 0.240 224 G C 0.263 175.028 174.900 -0.224 0.000 1.010 224 G CA 0.205 45.124 45.100 -0.301 0.000 0.618 224 G HN 0.491 nan 8.290 nan 0.000 0.516 225 V N -0.353 119.413 119.914 -0.247 0.000 3.430 225 V HA 0.315 4.438 4.120 0.005 0.000 0.211 225 V C 2.097 178.128 176.094 -0.106 0.000 1.173 225 V CA 1.686 63.899 62.300 -0.144 0.000 1.310 225 V CB -0.372 31.386 31.823 -0.108 0.000 1.361 225 V HN 0.148 nan 8.190 nan 0.000 0.512 226 E N 0.384 120.535 120.200 -0.081 0.000 2.158 226 E HA -0.015 4.338 4.350 0.005 0.000 0.191 226 E C 0.371 177.053 176.600 0.137 0.000 0.982 226 E CA 0.843 57.266 56.400 0.039 0.000 0.823 226 E CB 0.139 29.919 29.700 0.134 0.000 0.766 226 E HN 0.718 nan 8.360 nan 0.000 0.468 227 W N -1.252 120.024 121.300 -0.039 0.000 3.062 227 W HA 0.707 5.371 4.660 0.005 0.000 0.336 227 W C -0.856 175.597 176.519 -0.110 0.000 1.224 227 W CA -0.820 56.461 57.345 -0.108 0.000 1.159 227 W CB 0.795 30.247 29.460 -0.013 0.000 1.454 227 W HN -0.306 nan 8.180 nan 0.000 0.569 228 N N 0.130 118.886 118.700 0.093 0.000 3.116 228 N HA 0.507 5.250 4.740 0.005 0.000 0.244 228 N C -1.964 173.648 175.510 0.170 0.000 1.485 228 N CA -0.372 52.707 53.050 0.048 0.000 0.884 228 N CB 2.535 40.956 38.487 -0.110 0.000 1.415 228 N HN 0.594 nan 8.380 nan 0.000 0.524 229 Y N -1.718 118.665 120.300 0.139 0.000 2.597 229 Y HA 0.760 5.313 4.550 0.005 0.000 0.340 229 Y C -0.992 175.026 175.900 0.196 0.000 1.097 229 Y CA -0.947 57.313 58.100 0.268 0.000 1.037 229 Y CB 0.993 39.802 38.460 0.581 0.000 1.305 229 Y HN 0.447 nan 8.280 nan 0.000 0.463 230 S N 1.332 117.258 115.700 0.377 0.000 2.569 230 S HA 0.867 5.341 4.470 0.005 0.000 0.280 230 S C -1.016 173.798 174.600 0.357 0.000 1.111 230 S CA -0.215 58.109 58.200 0.207 0.000 0.887 230 S CB 1.487 64.754 63.200 0.111 0.000 1.095 230 S HN 1.764 nan 8.310 nan 0.000 0.476 231 V N -1.277 118.775 119.914 0.231 0.000 3.074 231 V HA 0.956 5.079 4.120 0.005 0.000 0.314 231 V C -0.438 175.717 176.094 0.101 0.000 1.117 231 V CA -0.332 62.101 62.300 0.222 0.000 1.014 231 V CB 1.457 33.387 31.823 0.179 0.000 1.057 231 V HN 1.030 nan 8.190 nan 0.000 0.438 232 T N 0.144 114.725 114.554 0.045 0.000 2.864 232 T HA 0.399 4.752 4.350 0.005 0.000 0.289 232 T C 0.115 174.794 174.700 -0.036 0.000 1.082 232 T CA -0.177 61.897 62.100 -0.044 0.000 1.009 232 T CB 1.842 70.575 68.868 -0.225 0.000 1.234 232 T HN 0.883 nan 8.240 nan 0.000 0.526 233 D N 0.399 120.813 120.400 0.023 0.000 2.350 233 D HA -0.052 4.591 4.640 0.005 0.000 0.216 233 D C 1.372 177.752 176.300 0.133 0.000 0.968 233 D CA 1.056 55.111 54.000 0.092 0.000 0.894 233 D CB 0.147 41.032 40.800 0.142 0.000 0.909 233 D HN 0.663 nan 8.370 nan 0.000 0.520 234 H N -1.679 117.440 119.070 0.082 0.000 3.398 234 H HA 0.208 4.767 4.556 0.006 0.000 0.260 234 H C -0.414 174.984 175.328 0.117 0.000 1.189 234 H CA -0.258 55.840 56.048 0.084 0.000 1.145 234 H CB 0.738 30.538 29.762 0.063 0.000 1.599 234 H HN 0.083 nan 8.280 nan 0.000 0.615 235 D N 0.024 120.285 120.400 -0.231 0.000 2.865 235 D HA 0.225 4.868 4.640 0.005 0.000 0.343 235 D C -0.897 175.512 176.300 0.180 0.000 1.372 235 D CA -0.624 53.380 54.000 0.007 0.000 0.862 235 D CB 0.945 41.727 40.800 -0.029 0.000 1.425 235 D HN 0.237 nan 8.370 nan 0.000 0.501 236 W N -0.744 120.536 121.300 -0.034 0.000 3.074 236 W HA 0.834 5.497 4.660 0.006 0.000 0.332 236 W C -1.995 174.571 176.519 0.079 0.000 1.253 236 W CA -1.234 56.134 57.345 0.038 0.000 1.180 236 W CB 0.865 30.377 29.460 0.086 0.000 1.445 236 W HN 0.805 nan 8.180 nan 0.000 0.573 237 A N 1.661 124.635 122.820 0.256 0.000 2.454 237 A HA 0.893 5.216 4.320 0.005 0.000 0.302 237 A C -2.428 175.326 177.584 0.283 0.000 1.079 237 A CA -0.710 51.381 52.037 0.090 0.000 0.731 237 A CB 2.368 21.424 19.000 0.094 0.000 1.299 237 A HN 0.772 nan 8.150 nan 0.000 0.413 238 F N 0.838 120.789 119.950 0.001 0.000 2.576 238 F HA 0.746 5.276 4.527 0.005 0.000 0.313 238 F C -0.194 175.679 175.800 0.120 0.000 1.078 238 F CA -0.148 57.935 58.000 0.138 0.000 0.921 238 F CB 2.214 41.212 39.000 -0.003 0.000 1.232 238 F HN 0.579 nan 8.300 nan 0.000 0.459 239 S N 3.368 118.626 115.700 -0.735 0.000 2.548 239 S HA 0.670 5.143 4.470 0.005 0.000 0.276 239 S C -1.862 172.464 174.600 -0.457 0.000 1.129 239 S CA -0.535 57.432 58.200 -0.389 0.000 0.931 239 S CB 1.261 64.369 63.200 -0.154 0.000 1.068 239 S HN 0.828 nan 8.310 nan 0.000 0.480 240 D N 1.843 122.175 120.400 -0.113 0.000 2.752 240 D HA 0.499 5.143 4.640 0.005 0.000 0.313 240 D C 0.706 176.977 176.300 -0.048 0.000 1.225 240 D CA -0.292 53.712 54.000 0.006 0.000 0.976 240 D CB 0.554 41.467 40.800 0.188 0.000 1.443 240 D HN 0.476 nan 8.370 nan 0.000 0.515 241 A N -0.908 121.810 122.820 -0.170 0.000 2.178 241 A HA -0.143 4.180 4.320 0.005 0.000 0.218 241 A C 1.128 178.569 177.584 -0.240 0.000 1.157 241 A CA 1.062 52.958 52.037 -0.236 0.000 0.689 241 A CB -0.961 17.868 19.000 -0.285 0.000 0.787 241 A HN 0.564 nan 8.150 nan 0.000 0.465 242 H N -1.173 117.942 119.070 0.076 0.000 2.575 242 H HA 0.361 4.920 4.556 0.005 0.000 0.267 242 H C 1.263 176.625 175.328 0.057 0.000 0.966 242 H CA 0.770 56.855 56.048 0.063 0.000 1.165 242 H CB 0.192 29.994 29.762 0.066 0.000 1.433 242 H HN 0.590 nan 8.280 nan 0.000 0.544 243 G N 0.673 109.549 108.800 0.127 0.000 2.270 243 G HA2 -0.013 3.950 3.960 0.005 0.000 0.268 243 G HA3 -0.013 3.950 3.960 0.005 0.000 0.268 243 G C -0.687 174.271 174.900 0.097 0.000 1.312 243 G CA -0.353 44.804 45.100 0.094 0.000 1.050 243 G HN 0.433 nan 8.290 nan 0.000 0.474 244 T N -2.008 112.597 114.554 0.085 0.000 2.883 244 T HA 0.794 5.147 4.350 0.005 0.000 0.296 244 T C -0.847 173.903 174.700 0.083 0.000 1.117 244 T CA -0.779 61.374 62.100 0.090 0.000 1.006 244 T CB 2.059 70.954 68.868 0.044 0.000 1.191 244 T HN 1.027 nan 8.240 nan 0.000 0.508 245 L N 1.360 122.634 121.223 0.085 0.000 2.410 245 L HA 0.637 4.981 4.340 0.005 0.000 0.270 245 L C -0.754 176.082 176.870 -0.056 0.000 0.983 245 L CA -0.868 53.970 54.840 -0.004 0.000 0.822 245 L CB 2.189 44.216 42.059 -0.054 0.000 1.285 245 L HN 0.773 nan 8.230 nan 0.000 0.409 246 E N 2.343 122.502 120.200 -0.069 0.000 2.235 246 E HA 0.425 4.778 4.350 0.005 0.000 0.265 246 E C -0.488 176.051 176.600 -0.103 0.000 0.940 246 E CA -0.752 55.607 56.400 -0.069 0.000 0.819 246 E CB 0.865 30.554 29.700 -0.019 0.000 1.206 246 E HN 0.455 nan 8.360 nan 0.000 0.409 247 N N 0.579 119.230 118.700 -0.082 0.000 2.740 247 N HA -0.199 4.544 4.740 0.005 0.000 0.248 247 N C -0.874 174.557 175.510 -0.132 0.000 1.062 247 N CA 0.520 53.535 53.050 -0.059 0.000 0.704 247 N CB -1.656 36.826 38.487 -0.008 0.000 0.968 247 N HN 0.411 nan 8.380 nan 0.000 0.547 248 L N 0.718 121.745 121.223 -0.326 0.000 2.452 248 L HA 0.299 4.642 4.340 0.005 0.000 0.267 248 L C -1.467 175.315 176.870 -0.146 0.000 1.188 248 L CA -1.434 53.120 54.840 -0.477 0.000 0.821 248 L CB 0.079 41.354 42.059 -1.307 0.000 1.102 248 L HN -0.124 nan 8.230 nan 0.000 0.470 249 P HA 0.069 nan 4.420 nan 0.000 0.271 249 P C -0.494 177.045 177.300 0.399 0.000 1.220 249 P CA -0.142 63.065 63.100 0.178 0.000 0.768 249 P CB 0.486 32.257 31.700 0.119 0.000 0.848 250 L N 5.815 127.218 121.223 0.300 0.000 2.499 250 L HA 0.093 4.436 4.340 0.005 0.000 0.273 250 L C -1.406 175.542 176.870 0.130 0.000 1.195 250 L CA -1.272 53.698 54.840 0.216 0.000 0.882 250 L CB -0.278 41.857 42.059 0.128 0.000 1.133 250 L HN 0.259 nan 8.230 nan 0.000 0.483 251 P HA 0.127 nan 4.420 nan 0.000 0.276 251 P C 0.034 177.339 177.300 0.009 0.000 1.252 251 P CA -0.373 62.732 63.100 0.008 0.000 0.802 251 P CB 0.994 32.630 31.700 -0.106 0.000 1.035 252 L N 0.156 121.392 121.223 0.021 0.000 2.769 252 L HA 0.199 4.542 4.340 0.005 0.000 0.240 252 L C 0.719 177.613 176.870 0.040 0.000 1.163 252 L CA -0.236 54.627 54.840 0.038 0.000 0.962 252 L CB 0.219 42.299 42.059 0.034 0.000 1.258 252 L HN 0.186 nan 8.230 nan 0.000 0.513 253 V N -4.658 115.260 119.914 0.008 0.000 3.074 253 V HA 0.672 4.795 4.120 0.005 0.000 0.314 253 V C -2.698 173.374 176.094 -0.038 0.000 1.117 253 V CA -2.726 59.572 62.300 -0.004 0.000 1.014 253 V CB 1.443 33.245 31.823 -0.035 0.000 1.057 253 V HN -0.131 nan 8.190 nan 0.000 0.438 254 P HA 0.089 nan 4.420 nan 0.000 0.261 254 P C 0.452 177.639 177.300 -0.188 0.000 1.183 254 P CA 0.471 63.503 63.100 -0.113 0.000 0.761 254 P CB 0.623 32.105 31.700 -0.363 0.000 0.785 255 Q N 7.151 126.840 119.800 -0.186 0.000 2.118 255 Q HA -0.205 4.138 4.340 0.005 0.000 0.211 255 Q C -0.836 174.888 176.000 -0.461 0.000 0.998 255 Q CA 2.785 58.362 55.803 -0.377 0.000 0.872 255 Q CB -1.825 26.747 28.738 -0.276 0.000 0.925 255 Q HN 0.394 nan 8.270 nan 0.000 0.414 256 P HA -0.071 nan 4.420 nan 0.000 0.217 256 P C 0.351 177.579 177.300 -0.120 0.000 1.150 256 P CA 1.419 64.457 63.100 -0.105 0.000 0.832 256 P CB -0.167 31.541 31.700 0.013 0.000 0.787 257 N N -0.313 118.294 118.700 -0.154 0.000 2.270 257 N HA -0.056 4.687 4.740 0.005 0.000 0.181 257 N C 1.685 177.106 175.510 -0.148 0.000 1.016 257 N CA 1.300 54.284 53.050 -0.109 0.000 0.870 257 N CB -0.954 37.470 38.487 -0.106 0.000 0.979 257 N HN 0.087 nan 8.380 nan 0.000 0.431 258 A N 0.834 123.508 122.820 -0.243 0.000 1.929 258 A HA 0.164 4.487 4.320 0.005 0.000 0.216 258 A C 2.316 179.787 177.584 -0.188 0.000 1.176 258 A CA 1.557 53.462 52.037 -0.220 0.000 0.628 258 A CB -0.646 18.175 19.000 -0.298 0.000 0.816 258 A HN 0.285 nan 8.150 nan 0.000 0.444 259 A N -0.966 121.650 122.820 -0.340 0.000 1.898 259 A HA -0.041 4.282 4.320 0.005 0.000 0.216 259 A C 2.285 179.769 177.584 -0.166 0.000 1.181 259 A CA 2.166 54.140 52.037 -0.105 0.000 0.620 259 A CB -1.172 17.647 19.000 -0.302 0.000 0.819 259 A HN 0.399 nan 8.150 nan 0.000 0.442 260 T N 0.358 114.859 114.554 -0.089 0.000 2.708 260 T HA -0.043 4.310 4.350 0.005 0.000 0.266 260 T C 2.234 176.800 174.700 -0.223 0.000 1.037 260 T CA 1.653 63.687 62.100 -0.110 0.000 1.146 260 T CB -0.441 68.500 68.868 0.121 0.000 0.865 260 T HN 0.584 nan 8.240 nan 0.000 0.435 261 A N 1.296 124.007 122.820 -0.182 0.000 1.902 261 A HA -0.009 4.314 4.320 0.005 0.000 0.217 261 A C 2.228 179.641 177.584 -0.285 0.000 1.181 261 A CA 1.265 53.176 52.037 -0.210 0.000 0.623 261 A CB -0.783 18.105 19.000 -0.185 0.000 0.818 261 A HN 0.410 nan 8.150 nan 0.000 0.443 262 L N -0.254 120.763 121.223 -0.344 0.000 2.083 262 L HA -0.027 4.317 4.340 0.005 0.000 0.209 262 L C 2.558 179.061 176.870 -0.613 0.000 1.083 262 L CA 2.081 56.615 54.840 -0.509 0.000 0.752 262 L CB -0.862 40.797 42.059 -0.667 0.000 0.899 262 L HN 0.335 nan 8.230 nan 0.000 0.433 263 A N -0.441 121.992 122.820 -0.645 0.000 1.873 263 A HA -0.030 4.293 4.320 0.005 0.000 0.215 263 A C 2.455 179.876 177.584 -0.272 0.000 1.186 263 A CA 1.653 53.358 52.037 -0.553 0.000 0.616 263 A CB -1.137 17.009 19.000 -1.423 0.000 0.823 263 A HN 0.548 nan 8.150 nan 0.000 0.442 264 A N -0.680 122.024 122.820 -0.193 0.000 1.933 264 A HA -0.011 4.312 4.320 0.005 0.000 0.218 264 A C 2.168 179.848 177.584 0.160 0.000 1.175 264 A CA 1.614 53.684 52.037 0.056 0.000 0.628 264 A CB -0.554 18.516 19.000 0.117 0.000 0.814 264 A HN 0.576 nan 8.150 nan 0.000 0.444 265 L N -0.668 120.535 121.223 -0.033 0.000 2.027 265 L HA -0.067 4.277 4.340 0.005 0.000 0.206 265 L C 2.529 179.374 176.870 -0.042 0.000 1.074 265 L CA 1.649 56.467 54.840 -0.037 0.000 0.745 265 L CB -0.276 41.669 42.059 -0.191 0.000 0.898 265 L HN 0.292 nan 8.230 nan 0.000 0.433 266 R N -0.823 119.627 120.500 -0.083 0.000 2.148 266 R HA -0.030 4.314 4.340 0.005 0.000 0.227 266 R C 2.074 178.378 176.300 0.006 0.000 1.103 266 R CA 0.980 57.056 56.100 -0.040 0.000 0.983 266 R CB -0.359 29.965 30.300 0.041 0.000 0.874 266 R HN 0.482 nan 8.270 nan 0.000 0.451 267 A N 0.373 123.237 122.820 0.072 0.000 2.123 267 A HA -0.061 4.262 4.320 0.005 0.000 0.214 267 A C 2.005 179.636 177.584 0.077 0.000 1.152 267 A CA 1.051 53.161 52.037 0.122 0.000 0.728 267 A CB -0.168 18.914 19.000 0.136 0.000 0.814 267 A HN 0.363 nan 8.150 nan 0.000 0.464 268 S N -1.355 114.381 115.700 0.061 0.000 2.428 268 S HA 0.261 4.735 4.470 0.005 0.000 0.230 268 S C 1.650 176.199 174.600 -0.086 0.000 1.014 268 S CA 1.318 59.536 58.200 0.030 0.000 0.957 268 S CB -0.543 62.601 63.200 -0.094 0.000 0.784 268 S HN 1.844 nan 8.310 nan 0.000 0.499 269 G N 0.831 109.562 108.800 -0.115 0.000 2.159 269 G HA2 -0.229 3.734 3.960 0.005 0.000 0.256 269 G HA3 -0.229 3.734 3.960 0.005 0.000 0.256 269 G C -0.010 174.787 174.900 -0.172 0.000 0.977 269 G CA 0.320 45.344 45.100 -0.127 0.000 0.652 269 G HN 0.561 nan 8.290 nan 0.000 0.531 270 L N 0.586 121.646 121.223 -0.271 0.000 2.426 270 L HA 0.286 4.629 4.340 0.005 0.000 0.271 270 L C 0.831 177.643 176.870 -0.096 0.000 1.169 270 L CA -0.098 54.574 54.840 -0.280 0.000 0.836 270 L CB 0.531 42.276 42.059 -0.523 0.000 1.112 270 L HN 0.218 nan 8.230 nan 0.000 0.465 271 E N 2.482 122.709 120.200 0.045 0.000 2.070 271 E HA 0.271 4.625 4.350 0.005 0.000 0.282 271 E C -1.109 175.551 176.600 0.101 0.000 1.104 271 E CA -0.211 56.218 56.400 0.049 0.000 0.876 271 E CB 1.001 30.723 29.700 0.036 0.000 1.055 271 E HN 0.212 nan 8.360 nan 0.000 0.401 272 V N 3.101 123.030 119.914 0.024 0.000 2.577 272 V HA 0.174 4.298 4.120 0.005 0.000 0.303 272 V C 0.134 176.215 176.094 -0.022 0.000 1.042 272 V CA -0.891 61.422 62.300 0.020 0.000 0.872 272 V CB 1.923 33.736 31.823 -0.017 0.000 0.998 272 V HN 0.718 nan 8.190 nan 0.000 0.423 273 S N 2.315 118.002 115.700 -0.021 0.000 2.614 273 S HA 0.266 4.740 4.470 0.005 0.000 0.265 273 S C 1.028 175.600 174.600 -0.046 0.000 1.303 273 S CA 0.054 58.234 58.200 -0.034 0.000 1.000 273 S CB 1.374 64.556 63.200 -0.031 0.000 0.935 273 S HN 0.848 nan 8.310 nan 0.000 0.551 274 E N 1.490 121.661 120.200 -0.048 0.000 2.085 274 E HA -0.256 4.097 4.350 0.005 0.000 0.194 274 E C 1.632 178.195 176.600 -0.061 0.000 0.994 274 E CA 1.734 58.098 56.400 -0.061 0.000 0.801 274 E CB -0.382 29.287 29.700 -0.052 0.000 0.743 274 E HN 0.844 nan 8.360 nan 0.000 0.453 275 N N -0.461 118.212 118.700 -0.046 0.000 2.244 275 N HA -0.115 4.629 4.740 0.005 0.000 0.183 275 N C 1.620 177.106 175.510 -0.040 0.000 1.016 275 N CA 0.771 53.797 53.050 -0.040 0.000 0.866 275 N CB -0.039 38.430 38.487 -0.031 0.000 0.980 275 N HN 0.167 nan 8.380 nan 0.000 0.430 276 A N 0.577 123.373 122.820 -0.039 0.000 2.014 276 A HA 0.006 4.329 4.320 0.005 0.000 0.218 276 A C 2.041 179.596 177.584 -0.048 0.000 1.163 276 A CA 0.671 52.688 52.037 -0.034 0.000 0.652 276 A CB -0.334 18.654 19.000 -0.021 0.000 0.808 276 A HN 0.176 nan 8.150 nan 0.000 0.449 277 I N -0.794 119.735 120.570 -0.067 0.000 2.163 277 I HA -0.247 3.926 4.170 0.005 0.000 0.240 277 I C 2.761 178.830 176.117 -0.080 0.000 1.081 277 I CA 1.249 62.493 61.300 -0.094 0.000 1.353 277 I CB -0.272 37.649 38.000 -0.132 0.000 1.054 277 I HN 0.272 nan 8.210 nan 0.000 0.407 278 R N 0.520 120.975 120.500 -0.075 0.000 2.083 278 R HA -0.187 4.156 4.340 0.005 0.000 0.237 278 R C 1.943 178.227 176.300 -0.026 0.000 1.137 278 R CA 1.744 57.809 56.100 -0.057 0.000 0.951 278 R CB -0.418 29.848 30.300 -0.056 0.000 0.851 278 R HN 0.333 nan 8.270 nan 0.000 0.434 279 D N -0.424 119.961 120.400 -0.026 0.000 2.117 279 D HA -0.090 4.553 4.640 0.005 0.000 0.197 279 D C 1.910 178.202 176.300 -0.012 0.000 0.987 279 D CA 1.533 55.524 54.000 -0.015 0.000 0.829 279 D CB -0.506 40.283 40.800 -0.017 0.000 0.961 279 D HN 0.379 nan 8.370 nan 0.000 0.460 280 G N 0.631 109.417 108.800 -0.023 0.000 2.404 280 G HA2 -0.181 3.782 3.960 0.005 0.000 0.215 280 G HA3 -0.181 3.782 3.960 0.005 0.000 0.215 280 G C 1.801 176.694 174.900 -0.013 0.000 1.174 280 G CA 0.291 45.376 45.100 -0.026 0.000 0.780 280 G HN 0.266 nan 8.290 nan 0.000 0.537 281 I N 1.435 122.005 120.570 0.000 0.000 2.286 281 I HA -0.144 4.029 4.170 0.005 0.000 0.248 281 I C 3.213 179.364 176.117 0.056 0.000 1.115 281 I CA 0.935 62.263 61.300 0.047 0.000 1.392 281 I CB -0.147 37.922 38.000 0.117 0.000 1.065 281 I HN 0.233 nan 8.210 nan 0.000 0.418 282 A N 0.361 123.207 122.820 0.043 0.000 2.015 282 A HA -0.153 4.170 4.320 0.005 0.000 0.219 282 A C 2.317 179.918 177.584 0.027 0.000 1.163 282 A CA 1.935 53.997 52.037 0.042 0.000 0.646 282 A CB -0.454 18.565 19.000 0.031 0.000 0.806 282 A HN 0.527 nan 8.150 nan 0.000 0.448 283 S N -1.488 114.221 115.700 0.015 0.000 2.540 283 S HA 0.569 5.042 4.470 0.005 0.000 0.222 283 S C 0.766 175.369 174.600 0.005 0.000 1.008 283 S CA 0.340 58.545 58.200 0.009 0.000 0.939 283 S CB -0.220 62.982 63.200 0.003 0.000 0.865 283 S HN 0.794 nan 8.310 nan 0.000 0.499 284 A N 1.917 124.740 122.820 0.004 0.000 2.451 284 A HA 0.694 5.017 4.320 0.005 0.000 0.266 284 A C -0.292 177.294 177.584 0.003 0.000 1.119 284 A CA -0.273 51.762 52.037 -0.003 0.000 0.786 284 A CB -0.405 18.586 19.000 -0.014 0.000 1.061 284 A HN 0.784 nan 8.150 nan 0.000 0.503 285 I N 1.718 122.290 120.570 0.004 0.000 2.908 285 I HA 0.554 4.727 4.170 0.005 0.000 0.300 285 I C -1.806 174.317 176.117 0.010 0.000 1.385 285 I CA -0.685 60.620 61.300 0.009 0.000 1.004 285 I CB 1.584 39.589 38.000 0.008 0.000 1.309 285 I HN 0.570 nan 8.210 nan 0.000 0.449 286 L N 7.177 128.407 121.223 0.013 0.000 2.410 286 L HA 0.600 4.943 4.340 0.005 0.000 0.270 286 L C -2.477 174.396 176.870 0.005 0.000 0.983 286 L CA -1.767 53.081 54.840 0.014 0.000 0.822 286 L CB 2.570 44.641 42.059 0.020 0.000 1.285 286 L HN 0.412 nan 8.230 nan 0.000 0.409 287 P HA 0.110 nan 4.420 nan 0.000 0.264 287 P C 0.627 177.904 177.300 -0.038 0.000 1.193 287 P CA 0.648 63.751 63.100 0.005 0.000 0.763 287 P CB 0.703 32.412 31.700 0.016 0.000 0.810 288 G N 2.119 110.910 108.800 -0.015 0.000 2.179 288 G HA2 -0.256 3.707 3.960 0.005 0.000 0.260 288 G HA3 -0.256 3.707 3.960 0.005 0.000 0.260 288 G C 0.148 174.981 174.900 -0.112 0.000 0.977 288 G CA -0.323 44.717 45.100 -0.101 0.000 0.641 288 G HN 0.513 nan 8.290 nan 0.000 0.533 289 R N -0.979 119.501 120.500 -0.032 0.000 2.335 289 R HA 0.586 4.930 4.340 0.005 0.000 0.302 289 R C 0.285 176.669 176.300 0.141 0.000 1.147 289 R CA -1.433 54.686 56.100 0.033 0.000 1.111 289 R CB -0.580 29.734 30.300 0.023 0.000 1.122 289 R HN 0.534 nan 8.270 nan 0.000 0.557 290 F N 0.954 120.910 119.950 0.010 0.000 2.783 290 F HA -0.311 4.220 4.527 0.005 0.000 0.222 290 F C -0.040 175.750 175.800 -0.017 0.000 1.028 290 F CA 0.983 58.990 58.000 0.012 0.000 0.862 290 F CB -0.241 38.783 39.000 0.039 0.000 0.744 290 F HN 0.517 nan 8.300 nan 0.000 0.850 291 Q N 2.850 122.531 119.800 -0.197 0.000 2.360 291 Q HA 0.418 4.762 4.340 0.005 0.000 0.254 291 Q C -0.087 175.678 176.000 -0.393 0.000 0.975 291 Q CA -0.659 55.015 55.803 -0.215 0.000 0.912 291 Q CB 0.591 29.252 28.738 -0.129 0.000 1.212 291 Q HN 0.512 nan 8.270 nan 0.000 0.452 292 I N 5.375 125.746 120.570 -0.331 0.000 2.347 292 I HA -0.030 4.144 4.170 0.005 0.000 0.294 292 I C 0.918 176.848 176.117 -0.312 0.000 1.090 292 I CA -0.223 60.879 61.300 -0.330 0.000 1.314 292 I CB 0.942 38.819 38.000 -0.204 0.000 1.423 292 I HN 0.584 nan 8.210 nan 0.000 0.503 293 V N 4.384 124.035 119.914 -0.438 0.000 2.725 293 V HA -0.024 4.100 4.120 0.005 0.000 0.247 293 V C 0.846 176.799 176.094 -0.235 0.000 1.058 293 V CA 0.950 62.993 62.300 -0.428 0.000 1.080 293 V CB -0.503 30.848 31.823 -0.787 0.000 0.713 293 V HN 0.893 nan 8.190 nan 0.000 0.465 294 S N -1.753 113.832 115.700 -0.190 0.000 2.661 294 S HA 0.620 5.094 4.470 0.005 0.000 0.268 294 S C -1.574 172.972 174.600 -0.090 0.000 1.162 294 S CA -0.976 57.160 58.200 -0.107 0.000 0.817 294 S CB 2.651 65.814 63.200 -0.063 0.000 1.141 294 S HN 0.086 nan 8.310 nan 0.000 0.477 295 E N 0.376 120.540 120.200 -0.061 0.000 2.336 295 E HA 0.665 5.018 4.350 0.005 0.000 0.267 295 E C -0.887 175.687 176.600 -0.043 0.000 0.906 295 E CA -0.806 55.563 56.400 -0.051 0.000 0.781 295 E CB 1.744 31.419 29.700 -0.041 0.000 1.261 295 E HN 0.879 nan 8.360 nan 0.000 0.436 296 S N 0.932 116.608 115.700 -0.041 0.000 3.436 296 S HA -0.118 4.356 4.470 0.005 0.000 0.393 296 S C -2.119 172.452 174.600 -0.049 0.000 0.914 296 S CA 0.147 58.323 58.200 -0.040 0.000 1.317 296 S CB -1.534 61.646 63.200 -0.032 0.000 0.920 296 S HN 0.324 nan 8.310 nan 0.000 0.564 297 P HA 0.343 nan 4.420 nan 0.000 0.282 297 P C 0.057 177.324 177.300 -0.056 0.000 1.259 297 P CA -0.913 62.152 63.100 -0.058 0.000 0.826 297 P CB 0.681 32.337 31.700 -0.073 0.000 1.064 298 R N 1.116 121.583 120.500 -0.055 0.000 2.449 298 R HA 0.276 4.619 4.340 0.005 0.000 0.296 298 R C -0.985 175.269 176.300 -0.077 0.000 1.047 298 R CA -0.060 55.998 56.100 -0.069 0.000 1.018 298 R CB -0.106 30.157 30.300 -0.062 0.000 0.962 298 R HN 0.241 nan 8.270 nan 0.000 0.428 299 V N 7.316 127.167 119.914 -0.105 0.000 2.459 299 V HA 0.441 4.565 4.120 0.005 0.000 0.295 299 V C 0.042 175.981 176.094 -0.258 0.000 1.029 299 V CA -0.636 61.605 62.300 -0.098 0.000 0.874 299 V CB 1.698 33.507 31.823 -0.024 0.000 0.985 299 V HN 0.703 nan 8.190 nan 0.000 0.438 300 I N 4.744 125.189 120.570 -0.209 0.000 2.498 300 I HA 0.506 4.679 4.170 0.005 0.000 0.290 300 I C -1.318 174.772 176.117 -0.045 0.000 1.032 300 I CA -0.415 60.690 61.300 -0.325 0.000 1.073 300 I CB 2.178 39.922 38.000 -0.427 0.000 1.251 300 I HN 0.352 nan 8.210 nan 0.000 0.426 301 F N 3.288 123.093 119.950 -0.241 0.000 2.426 301 F HA 0.477 5.007 4.527 0.005 0.000 0.348 301 F C -0.204 175.487 175.800 -0.182 0.000 1.124 301 F CA -1.525 56.357 58.000 -0.196 0.000 1.008 301 F CB 1.237 40.116 39.000 -0.202 0.000 1.139 301 F HN 0.344 nan 8.300 nan 0.000 0.452 302 D N 1.638 122.070 120.400 0.054 0.000 2.763 302 D HA 0.297 4.940 4.640 0.005 0.000 0.235 302 D C -0.301 175.956 176.300 -0.071 0.000 1.334 302 D CA -0.368 53.644 54.000 0.020 0.000 0.950 302 D CB 1.667 42.553 40.800 0.143 0.000 1.433 302 D HN 0.274 nan 8.370 nan 0.000 0.580 303 V N 2.058 121.840 119.914 -0.221 0.000 3.351 303 V HA 0.583 4.707 4.120 0.005 0.000 0.364 303 V C 0.706 176.577 176.094 -0.372 0.000 1.219 303 V CA -0.225 61.853 62.300 -0.370 0.000 1.382 303 V CB -0.767 30.576 31.823 -0.800 0.000 1.203 303 V HN 0.601 nan 8.190 nan 0.000 0.448 304 A N 1.811 124.554 122.820 -0.128 0.000 2.522 304 A HA 0.328 4.651 4.320 0.005 0.000 0.256 304 A C 0.858 178.477 177.584 0.059 0.000 1.086 304 A CA 0.472 52.497 52.037 -0.020 0.000 0.763 304 A CB -0.649 18.404 19.000 0.087 0.000 1.024 304 A HN 1.022 nan 8.150 nan 0.000 0.502 305 H N 1.468 120.604 119.070 0.111 0.000 2.649 305 H HA 0.319 4.878 4.556 0.006 0.000 0.258 305 H C -0.177 175.193 175.328 0.070 0.000 1.165 305 H CA -0.226 55.883 56.048 0.103 0.000 1.006 305 H CB -0.024 29.818 29.762 0.134 0.000 1.743 305 H HN 0.801 nan 8.280 nan 0.000 0.609 306 N N 0.035 118.883 118.700 0.247 0.000 2.708 306 N HA 0.137 4.880 4.740 0.005 0.000 0.257 306 N C -2.807 172.780 175.510 0.128 0.000 1.373 306 N CA -1.832 51.295 53.050 0.129 0.000 0.843 306 N CB 2.315 40.834 38.487 0.054 0.000 1.503 306 N HN -0.315 nan 8.380 nan 0.000 0.504 307 P HA -0.204 nan 4.420 nan 0.000 0.216 307 P C 1.147 178.444 177.300 -0.005 0.000 1.150 307 P CA 1.361 64.535 63.100 0.123 0.000 0.843 307 P CB -0.180 31.622 31.700 0.169 0.000 0.787 308 H N -0.361 118.672 119.070 -0.062 0.000 2.357 308 H HA -0.015 4.545 4.556 0.007 0.000 0.301 308 H C 1.710 176.988 175.328 -0.084 0.000 1.082 308 H CA 1.563 57.547 56.048 -0.107 0.000 1.342 308 H CB -0.087 29.646 29.762 -0.047 0.000 1.389 308 H HN -0.005 nan 8.280 nan 0.000 0.511 309 A N 1.031 123.838 122.820 -0.022 0.000 1.897 309 A HA 0.042 4.365 4.320 0.005 0.000 0.215 309 A C 2.645 180.236 177.584 0.013 0.000 1.181 309 A CA 1.240 53.275 52.037 -0.003 0.000 0.620 309 A CB -0.855 18.217 19.000 0.119 0.000 0.821 309 A HN 0.545 nan 8.150 nan 0.000 0.443 310 A N -0.051 122.778 122.820 0.016 0.000 1.902 310 A HA -0.192 4.131 4.320 0.005 0.000 0.217 310 A C 2.016 179.550 177.584 -0.084 0.000 1.181 310 A CA 1.840 53.911 52.037 0.056 0.000 0.623 310 A CB -0.566 18.534 19.000 0.168 0.000 0.818 310 A HN 0.674 nan 8.150 nan 0.000 0.443 311 E N -1.621 118.316 120.200 -0.438 0.000 2.110 311 E HA -0.254 4.099 4.350 0.005 0.000 0.193 311 E C 1.805 178.148 176.600 -0.429 0.000 0.988 311 E CA 1.519 57.397 56.400 -0.871 0.000 0.804 311 E CB -0.341 28.457 29.700 -1.504 0.000 0.745 311 E HN 0.731 nan 8.360 nan 0.000 0.458 312 Y N 0.721 120.775 120.300 -0.410 0.000 2.200 312 Y HA -0.178 4.376 4.550 0.005 0.000 0.290 312 Y C 2.006 177.767 175.900 -0.232 0.000 1.137 312 Y CA 1.425 59.333 58.100 -0.321 0.000 1.163 312 Y CB -0.325 37.934 38.460 -0.335 0.000 0.988 312 Y HN 0.197 nan 8.280 nan 0.000 0.518 313 L N 0.113 121.198 121.223 -0.230 0.000 2.046 313 L HA -0.168 4.175 4.340 0.005 0.000 0.208 313 L C 2.145 178.905 176.870 -0.183 0.000 1.077 313 L CA 2.682 57.401 54.840 -0.202 0.000 0.747 313 L CB -1.385 40.707 42.059 0.055 0.000 0.896 313 L HN 0.291 nan 8.230 nan 0.000 0.432 314 T N -0.449 114.059 114.554 -0.077 0.000 2.759 314 T HA -0.117 4.236 4.350 0.005 0.000 0.269 314 T C 1.696 176.351 174.700 -0.074 0.000 1.042 314 T CA 1.262 63.373 62.100 0.018 0.000 1.140 314 T CB -0.917 68.076 68.868 0.210 0.000 0.864 314 T HN 0.603 nan 8.240 nan 0.000 0.455 315 G N 1.310 109.987 108.800 -0.205 0.000 2.422 315 G HA2 -0.168 3.796 3.960 0.005 0.000 0.218 315 G HA3 -0.168 3.796 3.960 0.005 0.000 0.218 315 G C 1.828 176.541 174.900 -0.313 0.000 1.140 315 G CA 0.129 45.094 45.100 -0.226 0.000 0.775 315 G HN 0.254 nan 8.290 nan 0.000 0.545 316 R N -0.235 119.950 120.500 -0.525 0.000 2.062 316 R HA 0.120 4.464 4.340 0.005 0.000 0.229 316 R C 2.660 178.796 176.300 -0.272 0.000 1.128 316 R CA 0.641 56.368 56.100 -0.622 0.000 0.960 316 R CB -0.764 28.755 30.300 -1.301 0.000 0.855 316 R HN 0.267 nan 8.270 nan 0.000 0.432 317 M N 1.096 120.620 119.600 -0.127 0.000 2.106 317 M HA -0.168 4.316 4.480 0.005 0.000 0.259 317 M C 1.859 178.162 176.300 0.005 0.000 1.068 317 M CA 1.631 56.950 55.300 0.032 0.000 1.100 317 M CB -0.802 31.831 32.600 0.055 0.000 1.351 317 M HN 0.060 nan 8.290 nan 0.000 0.404 318 K N -0.464 119.921 120.400 -0.026 0.000 2.283 318 K HA 0.017 4.341 4.320 0.005 0.000 0.202 318 K C 1.780 178.367 176.600 -0.021 0.000 1.048 318 K CA 1.067 57.347 56.287 -0.011 0.000 0.948 318 K CB -0.102 32.396 32.500 -0.003 0.000 0.742 318 K HN 0.299 nan 8.250 nan 0.000 0.458 319 A N 1.009 123.799 122.820 -0.050 0.000 2.208 319 A HA 0.098 4.421 4.320 0.005 0.000 0.209 319 A C 0.929 178.507 177.584 -0.010 0.000 1.161 319 A CA 0.047 52.059 52.037 -0.042 0.000 0.782 319 A CB -0.090 18.860 19.000 -0.083 0.000 0.816 319 A HN 0.092 nan 8.150 nan 0.000 0.477 320 L N 0.580 121.809 121.223 0.010 0.000 2.473 320 L HA 0.174 4.517 4.340 0.005 0.000 0.268 320 L C -1.971 174.912 176.870 0.020 0.000 1.215 320 L CA -1.688 53.172 54.840 0.034 0.000 0.823 320 L CB 0.038 42.129 42.059 0.055 0.000 1.099 320 L HN 0.104 nan 8.230 nan 0.000 0.483 321 P HA 0.039 nan 4.420 nan 0.000 0.269 321 P C -1.145 176.161 177.300 0.011 0.000 1.215 321 P CA -0.386 62.722 63.100 0.014 0.000 0.780 321 P CB 0.326 32.033 31.700 0.012 0.000 0.898 322 K N 2.413 122.819 120.400 0.009 0.000 2.437 322 K HA 0.005 4.328 4.320 0.005 0.000 0.277 322 K C 0.959 177.562 176.600 0.005 0.000 1.073 322 K CA 0.535 56.826 56.287 0.007 0.000 1.105 322 K CB -0.762 31.742 32.500 0.007 0.000 0.881 322 K HN 0.516 nan 8.250 nan 0.000 0.475 323 N N 0.367 119.069 118.700 0.004 0.000 2.948 323 N HA 0.472 5.215 4.740 0.005 0.000 0.323 323 N C 0.616 176.125 175.510 -0.001 0.000 1.374 323 N CA -0.992 52.058 53.050 -0.000 0.000 0.765 323 N CB 0.476 38.961 38.487 -0.002 0.000 1.152 323 N HN 0.352 nan 8.380 nan 0.000 0.528 324 G N -0.451 108.346 108.800 -0.005 0.000 3.345 324 G HA2 0.393 4.356 3.960 0.005 0.000 0.202 324 G HA3 0.393 4.356 3.960 0.005 0.000 0.202 324 G C -0.334 174.563 174.900 -0.005 0.000 1.740 324 G CA -0.531 44.567 45.100 -0.005 0.000 0.806 324 G HN 0.392 nan 8.290 nan 0.000 0.718 325 R N -1.037 119.458 120.500 -0.007 0.000 2.720 325 R HA 0.622 4.966 4.340 0.005 0.000 0.272 325 R C -1.413 174.875 176.300 -0.021 0.000 0.991 325 R CA -0.648 55.446 56.100 -0.009 0.000 1.010 325 R CB 2.412 32.713 30.300 0.001 0.000 1.141 325 R HN 0.157 nan 8.270 nan 0.000 0.494 326 V N 3.637 123.530 119.914 -0.035 0.000 2.334 326 V HA 0.259 4.382 4.120 0.005 0.000 0.281 326 V C -0.755 175.285 176.094 -0.091 0.000 1.016 326 V CA -0.665 61.599 62.300 -0.061 0.000 0.832 326 V CB 1.121 32.902 31.823 -0.070 0.000 0.999 326 V HN 0.418 nan 8.190 nan 0.000 0.439 327 L N 4.629 125.816 121.223 -0.061 0.000 2.309 327 L HA 0.840 5.183 4.340 0.005 0.000 0.282 327 L C 0.350 177.178 176.870 -0.070 0.000 1.036 327 L CA 0.007 54.844 54.840 -0.005 0.000 0.806 327 L CB 1.678 43.748 42.059 0.019 0.000 1.220 327 L HN 0.707 nan 8.230 nan 0.000 0.429 328 A N 3.083 125.852 122.820 -0.084 0.000 2.343 328 A HA 0.800 5.123 4.320 0.005 0.000 0.316 328 A C -1.079 176.609 177.584 0.173 0.000 1.104 328 A CA -0.571 51.405 52.037 -0.102 0.000 0.768 328 A CB 1.416 20.096 19.000 -0.534 0.000 1.213 328 A HN 0.372 nan 8.150 nan 0.000 0.456 329 V N 3.720 123.736 119.914 0.170 0.000 2.350 329 V HA 0.478 4.602 4.120 0.005 0.000 0.276 329 V C -0.273 175.965 176.094 0.240 0.000 1.028 329 V CA -0.131 62.304 62.300 0.227 0.000 0.860 329 V CB 0.828 32.755 31.823 0.173 0.000 0.990 329 V HN 0.778 nan 8.190 nan 0.000 0.453 330 I N 3.599 124.358 120.570 0.316 0.000 2.608 330 I HA 0.908 5.081 4.170 0.005 0.000 0.295 330 I C 0.116 176.357 176.117 0.207 0.000 1.049 330 I CA -0.113 61.359 61.300 0.287 0.000 1.063 330 I CB 2.144 40.405 38.000 0.435 0.000 1.248 330 I HN 0.700 nan 8.210 nan 0.000 0.424 331 G N 7.591 116.486 108.800 0.157 0.000 2.740 331 G HA2 0.667 4.630 3.960 0.005 0.000 0.296 331 G HA3 0.667 4.630 3.960 0.005 0.000 0.296 331 G C -1.430 173.527 174.900 0.095 0.000 1.439 331 G CA -0.558 44.612 45.100 0.117 0.000 1.066 331 G HN 0.481 nan 8.290 nan 0.000 0.527 332 M N 1.319 120.941 119.600 0.036 0.000 2.618 332 M HA 0.498 4.981 4.480 0.005 0.000 0.281 332 M C -0.967 175.289 176.300 -0.073 0.000 1.267 332 M CA -0.750 54.558 55.300 0.013 0.000 0.845 332 M CB 2.783 35.384 32.600 0.001 0.000 1.732 332 M HN 0.219 nan 8.290 nan 0.000 0.461 333 L N 1.019 122.213 121.223 -0.050 0.000 2.334 333 L HA 0.333 4.677 4.340 0.005 0.000 0.275 333 L C 1.061 177.889 176.870 -0.070 0.000 1.036 333 L CA -0.778 54.008 54.840 -0.089 0.000 0.807 333 L CB 1.182 43.214 42.059 -0.045 0.000 1.231 333 L HN 0.724 nan 8.230 nan 0.000 0.438 334 H N 1.246 120.307 119.070 -0.014 0.000 2.491 334 H HA -0.111 4.449 4.556 0.005 0.000 0.290 334 H C 0.914 176.224 175.328 -0.029 0.000 1.050 334 H CA 1.490 57.529 56.048 -0.015 0.000 1.309 334 H CB -0.120 29.635 29.762 -0.012 0.000 1.392 334 H HN 0.696 nan 8.280 nan 0.000 0.554 335 D N -0.360 120.084 120.400 0.074 0.000 2.352 335 D HA -0.003 4.640 4.640 0.005 0.000 0.232 335 D C 0.433 176.717 176.300 -0.027 0.000 1.055 335 D CA 0.244 54.251 54.000 0.011 0.000 0.891 335 D CB 0.364 41.164 40.800 0.000 0.000 0.897 335 D HN -0.065 nan 8.370 nan 0.000 0.529 336 K N 0.358 120.752 120.400 -0.011 0.000 2.258 336 K HA 0.214 4.538 4.320 0.005 0.000 0.236 336 K C -0.741 175.847 176.600 -0.020 0.000 1.008 336 K CA -0.797 55.467 56.287 -0.039 0.000 0.869 336 K CB 1.163 33.653 32.500 -0.016 0.000 1.171 336 K HN -0.096 nan 8.250 nan 0.000 0.447 337 D N 2.108 122.492 120.400 -0.027 0.000 2.508 337 D HA 0.118 4.761 4.640 0.005 0.000 0.224 337 D C 1.038 177.321 176.300 -0.028 0.000 1.171 337 D CA -0.020 53.970 54.000 -0.017 0.000 1.006 337 D CB -0.387 40.410 40.800 -0.004 0.000 1.073 337 D HN 0.387 nan 8.370 nan 0.000 0.513 338 I N 1.993 122.524 120.570 -0.066 0.000 2.127 338 I HA -0.292 3.881 4.170 0.005 0.000 0.241 338 I C 2.366 178.306 176.117 -0.295 0.000 1.075 338 I CA 1.158 62.358 61.300 -0.166 0.000 1.334 338 I CB -0.233 37.645 38.000 -0.204 0.000 1.040 338 I HN 0.380 nan 8.210 nan 0.000 0.405 339 A N 0.997 123.603 122.820 -0.356 0.000 1.908 339 A HA -0.170 4.153 4.320 0.005 0.000 0.218 339 A C 2.426 179.956 177.584 -0.091 0.000 1.181 339 A CA 2.114 53.973 52.037 -0.297 0.000 0.627 339 A CB -1.484 17.483 19.000 -0.055 0.000 0.818 339 A HN 0.496 nan 8.150 nan 0.000 0.445 340 G N -1.542 107.248 108.800 -0.016 0.000 2.408 340 G HA2 -0.080 3.883 3.960 0.005 0.000 0.217 340 G HA3 -0.080 3.883 3.960 0.005 0.000 0.217 340 G C 1.543 176.543 174.900 0.166 0.000 1.150 340 G CA 1.592 46.742 45.100 0.084 0.000 0.776 340 G HN 0.447 nan 8.290 nan 0.000 0.542 341 T N 1.446 116.063 114.554 0.104 0.000 2.770 341 T HA 0.014 4.367 4.350 0.005 0.000 0.263 341 T C 2.422 177.224 174.700 0.170 0.000 1.039 341 T CA 0.736 62.930 62.100 0.156 0.000 1.142 341 T CB -0.195 68.739 68.868 0.110 0.000 0.868 341 T HN 0.147 nan 8.240 nan 0.000 0.435 342 L N 0.958 122.207 121.223 0.043 0.000 2.141 342 L HA -0.024 4.319 4.340 0.005 0.000 0.209 342 L C 3.063 179.970 176.870 0.062 0.000 1.094 342 L CA 0.906 55.751 54.840 0.008 0.000 0.763 342 L CB -0.776 41.169 42.059 -0.190 0.000 0.908 342 L HN 0.233 nan 8.230 nan 0.000 0.437 343 A N -0.195 122.646 122.820 0.034 0.000 1.908 343 A HA -0.241 4.082 4.320 0.005 0.000 0.218 343 A C 1.938 179.483 177.584 -0.065 0.000 1.181 343 A CA 1.714 53.725 52.037 -0.043 0.000 0.627 343 A CB -0.885 18.051 19.000 -0.107 0.000 0.818 343 A HN 0.506 nan 8.150 nan 0.000 0.445 344 W N -0.159 121.187 121.300 0.077 0.000 2.407 344 W HA 0.014 4.676 4.660 0.004 0.000 0.305 344 W C 2.162 178.758 176.519 0.127 0.000 1.196 344 W CA 0.968 58.365 57.345 0.087 0.000 1.311 344 W CB -0.348 29.157 29.460 0.075 0.000 1.135 344 W HN 0.187 nan 8.180 nan 0.000 0.514 345 L N 0.328 121.797 121.223 0.410 0.000 2.083 345 L HA -0.239 4.105 4.340 0.005 0.000 0.209 345 L C 2.154 179.298 176.870 0.457 0.000 1.083 345 L CA 1.438 56.531 54.840 0.421 0.000 0.752 345 L CB -0.847 41.548 42.059 0.559 0.000 0.899 345 L HN -0.004 nan 8.230 nan 0.000 0.433 346 K N 0.029 120.697 120.400 0.446 0.000 2.281 346 K HA -0.145 4.178 4.320 0.005 0.000 0.203 346 K C 2.169 178.917 176.600 0.246 0.000 1.046 346 K CA 1.549 58.093 56.287 0.429 0.000 0.938 346 K CB -0.151 32.481 32.500 0.220 0.000 0.737 346 K HN 0.379 nan 8.250 nan 0.000 0.458 347 S N -0.054 115.744 115.700 0.163 0.000 2.515 347 S HA -0.062 4.411 4.470 0.005 0.000 0.231 347 S C 1.752 176.414 174.600 0.103 0.000 0.987 347 S CA 0.901 59.159 58.200 0.096 0.000 0.936 347 S CB -0.095 63.130 63.200 0.041 0.000 0.766 347 S HN 0.187 nan 8.310 nan 0.000 0.528 348 V N -2.757 117.230 119.914 0.122 0.000 3.497 348 V HA 0.494 4.618 4.120 0.005 0.000 0.272 348 V C 0.469 176.571 176.094 0.013 0.000 1.474 348 V CA -0.432 61.910 62.300 0.070 0.000 1.025 348 V CB -0.093 31.774 31.823 0.073 0.000 0.820 348 V HN 0.242 nan 8.190 nan 0.000 0.437 349 V N 2.659 122.566 119.914 -0.011 0.000 2.583 349 V HA 0.309 4.432 4.120 0.005 0.000 0.287 349 V C 0.899 176.907 176.094 -0.143 0.000 1.051 349 V CA 0.365 62.530 62.300 -0.226 0.000 1.010 349 V CB 1.285 32.666 31.823 -0.736 0.000 0.988 349 V HN 0.399 nan 8.190 nan 0.000 0.478 350 D N 1.123 121.426 120.400 -0.161 0.000 2.414 350 D HA 0.084 4.728 4.640 0.005 0.000 0.237 350 D C 0.011 176.273 176.300 -0.064 0.000 0.975 350 D CA 0.775 54.740 54.000 -0.059 0.000 0.917 350 D CB 0.458 41.243 40.800 -0.026 0.000 1.061 350 D HN 0.583 nan 8.370 nan 0.000 0.480 351 D N 0.009 120.340 120.400 -0.115 0.000 2.391 351 D HA 0.210 4.854 4.640 0.005 0.000 0.245 351 D C -0.714 175.517 176.300 -0.115 0.000 1.069 351 D CA -0.362 53.608 54.000 -0.049 0.000 0.831 351 D CB 1.256 42.101 40.800 0.075 0.000 1.204 351 D HN 0.005 nan 8.370 nan 0.000 0.503 352 W N 1.472 122.756 121.300 -0.026 0.000 2.469 352 W HA 0.342 5.006 4.660 0.006 0.000 0.320 352 W C -0.435 176.019 176.519 -0.110 0.000 1.086 352 W CA -0.746 56.623 57.345 0.041 0.000 1.211 352 W CB 0.963 30.449 29.460 0.044 0.000 1.298 352 W HN 0.244 nan 8.180 nan 0.000 0.525 353 Y N 2.874 123.421 120.300 0.410 0.000 2.426 353 Y HA 0.412 4.965 4.550 0.005 0.000 0.325 353 Y C -0.031 176.113 175.900 0.407 0.000 0.989 353 Y CA -1.311 57.039 58.100 0.417 0.000 1.284 353 Y CB 0.679 39.231 38.460 0.155 0.000 1.104 353 Y HN 0.208 nan 8.280 nan 0.000 0.481 354 C N 2.605 122.221 119.300 0.526 0.000 2.365 354 C HA 0.957 5.420 4.460 0.005 0.000 0.351 354 C C 0.509 175.719 174.990 0.366 0.000 1.240 354 C CA -0.648 58.589 59.018 0.365 0.000 2.062 354 C CB 0.081 27.948 27.740 0.212 0.000 2.387 354 C HN 0.908 nan 8.230 nan 0.000 0.537 355 A N 4.100 127.068 122.820 0.246 0.000 2.515 355 A HA 0.974 5.298 4.320 0.005 0.000 0.296 355 A C -2.930 174.719 177.584 0.109 0.000 1.094 355 A CA -1.224 50.927 52.037 0.191 0.000 0.718 355 A CB 1.345 20.440 19.000 0.159 0.000 1.307 355 A HN 0.651 nan 8.150 nan 0.000 0.408 356 P HA 0.540 nan 4.420 nan 0.000 0.278 356 P C -1.058 176.258 177.300 0.026 0.000 1.258 356 P CA -0.293 62.829 63.100 0.037 0.000 0.811 356 P CB 1.067 32.786 31.700 0.031 0.000 1.063 357 L N 1.365 122.595 121.223 0.011 0.000 2.341 357 L HA 0.298 4.641 4.340 0.005 0.000 0.278 357 L C 0.522 177.398 176.870 0.010 0.000 1.005 357 L CA -1.017 53.839 54.840 0.028 0.000 0.818 357 L CB 1.618 43.675 42.059 -0.005 0.000 1.259 357 L HN 0.334 nan 8.230 nan 0.000 0.418 358 E N 1.762 121.988 120.200 0.043 0.000 2.422 358 E HA 0.552 4.905 4.350 0.005 0.000 0.260 358 E C 0.584 177.190 176.600 0.010 0.000 1.108 358 E CA 0.161 56.582 56.400 0.034 0.000 0.943 358 E CB 0.300 30.039 29.700 0.065 0.000 0.961 358 E HN 0.782 nan 8.360 nan 0.000 0.443 359 G N 1.060 109.869 108.800 0.014 0.000 2.582 359 G HA2 -0.163 3.800 3.960 0.005 0.000 0.222 359 G HA3 -0.163 3.800 3.960 0.005 0.000 0.222 359 G C -1.731 173.174 174.900 0.008 0.000 1.311 359 G CA -0.362 44.742 45.100 0.007 0.000 0.915 359 G HN 0.533 nan 8.290 nan 0.000 0.528 360 P HA 0.078 nan 4.420 nan 0.000 0.216 360 P C 1.599 178.921 177.300 0.036 0.000 1.156 360 P CA 0.977 64.088 63.100 0.018 0.000 0.855 360 P CB 0.003 31.709 31.700 0.010 0.000 0.786 361 R N -0.004 120.505 120.500 0.015 0.000 2.299 361 R HA 0.187 4.530 4.340 0.005 0.000 0.197 361 R C 1.237 177.538 176.300 0.003 0.000 0.971 361 R CA 0.257 56.377 56.100 0.033 0.000 1.030 361 R CB -0.295 30.009 30.300 0.006 0.000 0.932 361 R HN 0.143 nan 8.270 nan 0.000 0.477 362 G N 0.930 109.705 108.800 -0.041 0.000 2.390 362 G HA2 0.431 4.394 3.960 0.005 0.000 0.270 362 G HA3 0.431 4.394 3.960 0.005 0.000 0.270 362 G C -0.295 174.513 174.900 -0.154 0.000 1.211 362 G CA -0.385 44.651 45.100 -0.107 0.000 0.842 362 G HN 0.214 nan 8.290 nan 0.000 0.519 363 A N 1.929 124.544 122.820 -0.340 0.000 2.304 363 A HA 0.733 5.056 4.320 0.005 0.000 0.271 363 A C 1.039 178.549 177.584 -0.124 0.000 1.091 363 A CA 0.140 51.907 52.037 -0.450 0.000 0.812 363 A CB 0.359 18.996 19.000 -0.606 0.000 1.056 363 A HN 1.230 nan 8.150 nan 0.000 0.489 364 T N -1.600 112.936 114.554 -0.030 0.000 2.874 364 T HA 0.526 4.879 4.350 0.005 0.000 0.281 364 T C 1.251 175.963 174.700 0.019 0.000 0.994 364 T CA -0.036 62.072 62.100 0.014 0.000 1.015 364 T CB 1.261 70.151 68.868 0.037 0.000 1.028 364 T HN 1.213 nan 8.240 nan 0.000 0.523 365 A N 1.289 124.130 122.820 0.036 0.000 1.908 365 A HA -0.114 4.209 4.320 0.005 0.000 0.218 365 A C 2.323 179.924 177.584 0.028 0.000 1.181 365 A CA 1.520 53.588 52.037 0.052 0.000 0.627 365 A CB -0.823 18.219 19.000 0.070 0.000 0.818 365 A HN 0.962 nan 8.150 nan 0.000 0.445 366 E N 0.288 120.496 120.200 0.014 0.000 2.110 366 E HA -0.285 4.068 4.350 0.005 0.000 0.193 366 E C 1.891 178.492 176.600 0.002 0.000 0.988 366 E CA 1.537 57.936 56.400 -0.002 0.000 0.804 366 E CB -0.714 28.981 29.700 -0.007 0.000 0.745 366 E HN 0.796 nan 8.360 nan 0.000 0.458 367 Q N 0.565 120.383 119.800 0.030 0.000 2.084 367 Q HA -0.030 4.313 4.340 0.005 0.000 0.202 367 Q C 2.536 178.592 176.000 0.093 0.000 0.978 367 Q CA 1.200 57.040 55.803 0.063 0.000 0.844 367 Q CB -0.123 28.699 28.738 0.141 0.000 0.898 367 Q HN 0.287 nan 8.270 nan 0.000 0.426 368 L N 0.008 121.271 121.223 0.068 0.000 2.056 368 L HA -0.177 4.166 4.340 0.005 0.000 0.207 368 L C 2.269 179.133 176.870 -0.009 0.000 1.078 368 L CA 0.793 55.665 54.840 0.054 0.000 0.749 368 L CB -0.364 41.698 42.059 0.004 0.000 0.901 368 L HN 0.295 nan 8.230 nan 0.000 0.433 369 L N -0.204 121.003 121.223 -0.027 0.000 2.083 369 L HA -0.246 4.097 4.340 0.005 0.000 0.209 369 L C 2.620 179.442 176.870 -0.081 0.000 1.083 369 L CA 1.293 56.096 54.840 -0.061 0.000 0.752 369 L CB -0.345 41.690 42.059 -0.040 0.000 0.899 369 L HN 0.375 nan 8.230 nan 0.000 0.433 370 E N -0.799 119.348 120.200 -0.088 0.000 2.118 370 E HA -0.251 4.103 4.350 0.005 0.000 0.195 370 E C 2.067 178.555 176.600 -0.187 0.000 0.992 370 E CA 1.070 57.381 56.400 -0.149 0.000 0.804 370 E CB 0.094 29.674 29.700 -0.200 0.000 0.741 370 E HN 0.559 nan 8.360 nan 0.000 0.458 371 H N -0.215 118.792 119.070 -0.105 0.000 2.428 371 H HA -0.042 4.517 4.556 0.005 0.000 0.296 371 H C 2.261 177.480 175.328 -0.181 0.000 1.062 371 H CA 0.966 56.939 56.048 -0.126 0.000 1.350 371 H CB 0.178 29.859 29.762 -0.134 0.000 1.403 371 H HN 0.230 nan 8.280 nan 0.000 0.533 372 L N -0.855 120.288 121.223 -0.133 0.000 2.068 372 L HA 0.037 4.380 4.340 0.005 0.000 0.204 372 L C 1.997 178.787 176.870 -0.133 0.000 1.076 372 L CA 1.035 55.714 54.840 -0.269 0.000 0.753 372 L CB -0.200 41.538 42.059 -0.534 0.000 0.910 372 L HN 0.412 nan 8.230 nan 0.000 0.439 373 G N 0.414 109.158 108.800 -0.093 0.000 2.176 373 G HA2 -0.252 3.712 3.960 0.005 0.000 0.253 373 G HA3 -0.252 3.712 3.960 0.005 0.000 0.253 373 G C 0.027 174.912 174.900 -0.025 0.000 0.979 373 G CA 0.295 45.364 45.100 -0.051 0.000 0.641 373 G HN 0.593 nan 8.290 nan 0.000 0.530 374 N N -1.421 117.266 118.700 -0.022 0.000 3.227 374 N HA 0.579 5.322 4.740 0.005 0.000 0.241 374 N C 0.027 175.564 175.510 0.045 0.000 1.480 374 N CA 0.197 53.261 53.050 0.024 0.000 0.886 374 N CB 1.385 39.917 38.487 0.076 0.000 1.406 374 N HN 1.764 nan 8.380 nan 0.000 0.514 375 G N 0.133 108.963 108.800 0.051 0.000 2.541 375 G HA2 0.022 3.985 3.960 0.005 0.000 0.686 375 G HA3 0.022 3.985 3.960 0.005 0.000 0.686 375 G C -1.861 173.019 174.900 -0.035 0.000 1.286 375 G CA -0.763 44.366 45.100 0.048 0.000 0.894 375 G HN 0.838 nan 8.290 nan 0.000 0.575 376 K N -0.657 119.703 120.400 -0.066 0.000 2.259 376 K HA 0.802 5.125 4.320 0.005 0.000 0.249 376 K C 0.058 176.575 176.600 -0.137 0.000 0.942 376 K CA -0.272 55.919 56.287 -0.160 0.000 0.816 376 K CB 1.982 34.345 32.500 -0.228 0.000 1.155 376 K HN 1.466 nan 8.250 nan 0.000 0.428 377 S N 1.085 116.588 115.700 -0.329 0.000 2.593 377 S HA 0.779 5.252 4.470 0.005 0.000 0.297 377 S C -0.679 173.591 174.600 -0.550 0.000 1.112 377 S CA -0.600 57.481 58.200 -0.198 0.000 1.043 377 S CB 0.295 63.432 63.200 -0.105 0.000 1.054 377 S HN 0.458 nan 8.310 nan 0.000 0.516 378 F N -0.011 119.983 119.950 0.072 0.000 2.640 378 F HA 0.446 4.976 4.527 0.005 0.000 0.324 378 F C 0.868 176.696 175.800 0.047 0.000 1.077 378 F CA -1.138 56.904 58.000 0.070 0.000 0.965 378 F CB 1.254 40.316 39.000 0.103 0.000 1.351 378 F HN 0.474 nan 8.300 nan 0.000 0.487 379 D N -0.144 120.394 120.400 0.230 0.000 2.277 379 D HA 0.041 4.684 4.640 0.005 0.000 0.208 379 D C 0.280 176.638 176.300 0.095 0.000 0.962 379 D CA 1.035 55.108 54.000 0.122 0.000 0.865 379 D CB 0.236 41.092 40.800 0.093 0.000 0.939 379 D HN 0.408 nan 8.370 nan 0.000 0.510 380 S N -2.120 113.650 115.700 0.117 0.000 2.615 380 S HA 0.278 4.752 4.470 0.005 0.000 0.269 380 S C 0.684 175.301 174.600 0.027 0.000 1.161 380 S CA -0.765 57.449 58.200 0.023 0.000 0.817 380 S CB 1.548 64.735 63.200 -0.022 0.000 1.131 380 S HN -0.209 nan 8.310 nan 0.000 0.467 381 V N 1.299 121.169 119.914 -0.072 0.000 2.427 381 V HA -0.078 4.045 4.120 0.005 0.000 0.248 381 V C 2.974 179.074 176.094 0.010 0.000 1.051 381 V CA 2.526 64.809 62.300 -0.027 0.000 1.048 381 V CB -1.532 30.252 31.823 -0.066 0.000 0.666 381 V HN 1.010 nan 8.190 nan 0.000 0.456 382 A N -0.709 122.105 122.820 -0.009 0.000 1.883 382 A HA -0.315 4.009 4.320 0.005 0.000 0.217 382 A C 2.164 179.800 177.584 0.087 0.000 1.186 382 A CA 2.112 54.197 52.037 0.079 0.000 0.624 382 A CB -0.508 18.524 19.000 0.054 0.000 0.822 382 A HN 0.603 nan 8.150 nan 0.000 0.444 383 Q N -0.716 119.103 119.800 0.031 0.000 2.084 383 Q HA -0.070 4.274 4.340 0.005 0.000 0.202 383 Q C 2.408 178.227 176.000 -0.302 0.000 0.978 383 Q CA 1.451 57.248 55.803 -0.009 0.000 0.844 383 Q CB -0.403 28.416 28.738 0.135 0.000 0.898 383 Q HN 0.694 nan 8.270 nan 0.000 0.426 384 A N 0.933 123.523 122.820 -0.383 0.000 1.902 384 A HA -0.207 4.117 4.320 0.005 0.000 0.217 384 A C 1.781 179.110 177.584 -0.424 0.000 1.181 384 A CA 1.218 52.790 52.037 -0.775 0.000 0.623 384 A CB -1.191 17.690 19.000 -0.198 0.000 0.818 384 A HN 0.759 nan 8.150 nan 0.000 0.443 385 W N 1.032 122.140 121.300 -0.320 0.000 2.358 385 W HA -0.191 4.472 4.660 0.006 0.000 0.303 385 W C 1.048 177.413 176.519 -0.257 0.000 1.208 385 W CA 1.833 59.029 57.345 -0.247 0.000 1.274 385 W CB -0.279 29.098 29.460 -0.138 0.000 1.138 385 W HN 0.378 nan 8.180 nan 0.000 0.515 386 D N 0.858 121.087 120.400 -0.285 0.000 2.097 386 D HA -0.156 4.488 4.640 0.005 0.000 0.195 386 D C 2.431 178.504 176.300 -0.379 0.000 0.989 386 D CA 2.194 55.973 54.000 -0.368 0.000 0.827 386 D CB -0.839 39.874 40.800 -0.145 0.000 0.966 386 D HN 0.199 nan 8.370 nan 0.000 0.456 387 A N 1.059 123.663 122.820 -0.361 0.000 1.902 387 A HA -0.079 4.244 4.320 0.005 0.000 0.217 387 A C 2.325 179.654 177.584 -0.425 0.000 1.181 387 A CA 2.401 54.284 52.037 -0.256 0.000 0.623 387 A CB -0.773 18.126 19.000 -0.169 0.000 0.818 387 A HN 0.242 nan 8.150 nan 0.000 0.443 388 A N -1.003 121.313 122.820 -0.840 0.000 1.902 388 A HA -0.128 4.196 4.320 0.005 0.000 0.217 388 A C 2.140 179.357 177.584 -0.613 0.000 1.181 388 A CA 2.036 53.425 52.037 -1.080 0.000 0.623 388 A CB -0.466 17.900 19.000 -1.057 0.000 0.818 388 A HN 0.417 nan 8.150 nan 0.000 0.443 389 M N -0.447 118.757 119.600 -0.660 0.000 2.296 389 M HA -0.028 4.455 4.480 0.005 0.000 0.265 389 M C 2.412 178.498 176.300 -0.356 0.000 1.064 389 M CA 1.275 56.224 55.300 -0.585 0.000 1.109 389 M CB -1.514 30.562 32.600 -0.873 0.000 1.396 389 M HN 0.498 nan 8.290 nan 0.000 0.430 390 A N 0.325 122.965 122.820 -0.300 0.000 1.898 390 A HA -0.149 4.175 4.320 0.005 0.000 0.216 390 A C 1.865 179.381 177.584 -0.113 0.000 1.181 390 A CA 1.769 53.705 52.037 -0.169 0.000 0.620 390 A CB -0.557 18.375 19.000 -0.113 0.000 0.819 390 A HN 0.367 nan 8.150 nan 0.000 0.442 391 D N 0.260 120.598 120.400 -0.103 0.000 2.194 391 D HA 0.171 4.815 4.640 0.005 0.000 0.204 391 D C 1.139 177.409 176.300 -0.051 0.000 0.964 391 D CA 0.966 54.950 54.000 -0.027 0.000 0.846 391 D CB -0.535 40.316 40.800 0.085 0.000 0.962 391 D HN 0.420 nan 8.370 nan 0.000 0.490 392 A N 1.353 124.103 122.820 -0.117 0.000 2.540 392 A HA 0.096 4.419 4.320 0.005 0.000 0.239 392 A C 0.724 178.261 177.584 -0.077 0.000 1.061 392 A CA 0.217 52.192 52.037 -0.103 0.000 0.758 392 A CB 0.375 19.281 19.000 -0.157 0.000 0.991 392 A HN -0.115 nan 8.150 nan 0.000 0.502 393 K N 1.373 121.742 120.400 -0.053 0.000 2.132 393 K HA 0.507 4.831 4.320 0.005 0.000 0.241 393 K C 1.284 177.857 176.600 -0.045 0.000 1.000 393 K CA 0.011 56.273 56.287 -0.042 0.000 0.911 393 K CB 1.491 33.975 32.500 -0.026 0.000 1.093 393 K HN 0.681 nan 8.250 nan 0.000 0.460 394 A N 1.295 124.092 122.820 -0.039 0.000 2.024 394 A HA -0.166 4.157 4.320 0.005 0.000 0.220 394 A C 1.401 178.966 177.584 -0.032 0.000 1.164 394 A CA 1.506 53.521 52.037 -0.037 0.000 0.643 394 A CB -0.316 18.666 19.000 -0.030 0.000 0.806 394 A HN 0.740 nan 8.150 nan 0.000 0.451 395 E N 0.477 120.662 120.200 -0.026 0.000 2.489 395 E HA 0.045 4.399 4.350 0.005 0.000 0.193 395 E C -0.683 175.904 176.600 -0.022 0.000 1.057 395 E CA -0.046 56.342 56.400 -0.020 0.000 0.866 395 E CB -0.252 29.440 29.700 -0.014 0.000 0.916 395 E HN 0.486 nan 8.360 nan 0.000 0.500 396 D N 1.259 121.641 120.400 -0.029 0.000 2.451 396 D HA 0.349 4.992 4.640 0.005 0.000 0.259 396 D C -0.330 175.947 176.300 -0.037 0.000 1.201 396 D CA -0.092 53.890 54.000 -0.031 0.000 1.028 396 D CB 1.024 41.802 40.800 -0.037 0.000 1.095 396 D HN -0.225 nan 8.370 nan 0.000 0.539 397 T N -0.006 114.525 114.554 -0.038 0.000 2.921 397 T HA 0.428 4.781 4.350 0.005 0.000 0.297 397 T C -0.718 173.956 174.700 -0.044 0.000 1.013 397 T CA -0.577 61.498 62.100 -0.041 0.000 0.990 397 T CB 1.494 70.343 68.868 -0.031 0.000 1.023 397 T HN -0.013 nan 8.240 nan 0.000 0.447 398 V N 4.243 124.138 119.914 -0.033 0.000 2.384 398 V HA 0.571 4.695 4.120 0.005 0.000 0.287 398 V C -0.571 175.552 176.094 0.047 0.000 1.020 398 V CA -0.823 61.472 62.300 -0.008 0.000 0.850 398 V CB 1.451 33.266 31.823 -0.012 0.000 0.987 398 V HN 0.707 nan 8.190 nan 0.000 0.436 399 L N 6.863 128.108 121.223 0.035 0.000 2.305 399 L HA 0.688 5.032 4.340 0.005 0.000 0.284 399 L C -0.513 176.421 176.870 0.107 0.000 1.013 399 L CA 0.022 54.897 54.840 0.057 0.000 0.819 399 L CB 1.771 43.834 42.059 0.007 0.000 1.227 399 L HN 0.430 nan 8.230 nan 0.000 0.417 400 V N 5.321 125.328 119.914 0.156 0.000 2.370 400 V HA 0.619 4.742 4.120 0.005 0.000 0.279 400 V C 0.179 176.294 176.094 0.034 0.000 1.029 400 V CA -0.173 62.170 62.300 0.071 0.000 0.870 400 V CB 0.669 32.423 31.823 -0.115 0.000 0.984 400 V HN 1.087 nan 8.190 nan 0.000 0.451 401 C N 1.672 121.008 119.300 0.060 0.000 3.316 401 C HA 0.993 5.457 4.460 0.005 0.000 0.360 401 C C 1.118 176.169 174.990 0.102 0.000 1.560 401 C CA 0.094 59.153 59.018 0.067 0.000 1.229 401 C CB 1.094 28.906 27.740 0.120 0.000 1.823 401 C HN 1.536 nan 8.230 nan 0.000 0.440 402 G N 0.221 109.085 108.800 0.107 0.000 2.313 402 G HA2 0.208 4.171 3.960 0.005 0.000 0.215 402 G HA3 0.208 4.171 3.960 0.005 0.000 0.215 402 G C 0.115 175.104 174.900 0.148 0.000 1.023 402 G CA 0.966 46.149 45.100 0.138 0.000 0.626 402 G HN 2.560 nan 8.290 nan 0.000 0.503 403 S N -2.125 113.642 115.700 0.112 0.000 2.615 403 S HA 0.630 5.103 4.470 0.005 0.000 0.268 403 S C 0.248 174.920 174.600 0.120 0.000 1.146 403 S CA 0.401 58.730 58.200 0.215 0.000 0.818 403 S CB 0.203 63.576 63.200 0.287 0.000 1.111 403 S HN 0.520 nan 8.310 nan 0.000 0.465 404 F N 1.611 121.573 119.950 0.021 0.000 2.186 404 F HA 0.058 4.589 4.527 0.005 0.000 0.299 404 F C 2.133 177.808 175.800 -0.209 0.000 1.090 404 F CA 2.161 60.076 58.000 -0.142 0.000 1.307 404 F CB -0.493 38.372 39.000 -0.225 0.000 1.019 404 F HN 0.742 nan 8.300 nan 0.000 0.489 405 H N -1.482 117.644 119.070 0.094 0.000 2.387 405 H HA -0.125 4.434 4.556 0.005 0.000 0.299 405 H C 2.220 177.470 175.328 -0.130 0.000 1.099 405 H CA 1.927 57.929 56.048 -0.078 0.000 1.315 405 H CB -1.033 28.724 29.762 -0.008 0.000 1.380 405 H HN 0.094 nan 8.280 nan 0.000 0.513 406 T N -0.024 114.601 114.554 0.119 0.000 2.737 406 T HA -0.119 4.235 4.350 0.005 0.000 0.265 406 T C 2.334 176.956 174.700 -0.131 0.000 1.038 406 T CA 1.360 63.508 62.100 0.079 0.000 1.144 406 T CB -0.499 68.411 68.868 0.070 0.000 0.866 406 T HN 0.100 nan 8.240 nan 0.000 0.434 407 V N 1.730 121.497 119.914 -0.245 0.000 2.407 407 V HA -0.150 3.973 4.120 0.005 0.000 0.248 407 V C 2.884 178.685 176.094 -0.487 0.000 1.055 407 V CA 1.623 63.628 62.300 -0.493 0.000 1.049 407 V CB -1.182 30.362 31.823 -0.465 0.000 0.662 407 V HN 0.535 nan 8.190 nan 0.000 0.455 408 A N -1.127 121.502 122.820 -0.319 0.000 1.902 408 A HA -0.240 4.083 4.320 0.005 0.000 0.217 408 A C 2.116 179.552 177.584 -0.247 0.000 1.181 408 A CA 1.692 53.568 52.037 -0.268 0.000 0.623 408 A CB -0.752 18.108 19.000 -0.234 0.000 0.818 408 A HN 0.633 nan 8.150 nan 0.000 0.443 409 H N -0.485 118.487 119.070 -0.162 0.000 2.319 409 H HA -0.107 4.452 4.556 0.005 0.000 0.299 409 H C 2.312 177.487 175.328 -0.256 0.000 1.092 409 H CA 1.878 57.842 56.048 -0.141 0.000 1.302 409 H CB -0.566 29.144 29.762 -0.087 0.000 1.373 409 H HN 0.287 nan 8.280 nan 0.000 0.497 410 V N 0.999 120.719 119.914 -0.323 0.000 2.358 410 V HA -0.246 3.878 4.120 0.005 0.000 0.246 410 V C 2.658 178.422 176.094 -0.550 0.000 1.047 410 V CA 1.467 63.369 62.300 -0.663 0.000 1.035 410 V CB -0.489 30.666 31.823 -1.112 0.000 0.658 410 V HN 0.306 nan 8.190 nan 0.000 0.452 411 M N -0.827 118.499 119.600 -0.457 0.000 2.159 411 M HA -0.150 4.333 4.480 0.005 0.000 0.263 411 M C 2.279 178.513 176.300 -0.110 0.000 1.063 411 M CA 1.587 56.760 55.300 -0.211 0.000 1.110 411 M CB -0.437 32.070 32.600 -0.156 0.000 1.374 411 M HN 0.243 nan 8.290 nan 0.000 0.411 412 E N -0.146 119.990 120.200 -0.106 0.000 2.106 412 E HA -0.122 4.232 4.350 0.005 0.000 0.192 412 E C 2.187 178.777 176.600 -0.017 0.000 0.984 412 E CA 1.028 57.406 56.400 -0.038 0.000 0.806 412 E CB -0.398 29.296 29.700 -0.011 0.000 0.750 412 E HN 0.289 nan 8.360 nan 0.000 0.458 413 V N 1.080 120.969 119.914 -0.043 0.000 2.453 413 V HA -0.181 3.943 4.120 0.005 0.000 0.247 413 V C 2.267 178.386 176.094 0.041 0.000 1.048 413 V CA 1.009 63.313 62.300 0.008 0.000 1.049 413 V CB -0.216 31.614 31.823 0.011 0.000 0.672 413 V HN 0.179 nan 8.190 nan 0.000 0.457 414 I N 0.022 120.597 120.570 0.008 0.000 2.286 414 I HA -0.239 3.935 4.170 0.005 0.000 0.248 414 I C 2.205 178.358 176.117 0.061 0.000 1.115 414 I CA 2.059 63.406 61.300 0.078 0.000 1.392 414 I CB -0.291 37.755 38.000 0.078 0.000 1.065 414 I HN 0.399 nan 8.210 nan 0.000 0.418 415 D N 0.750 121.170 120.400 0.032 0.000 2.084 415 D HA -0.155 4.489 4.640 0.005 0.000 0.196 415 D C 2.236 178.557 176.300 0.035 0.000 0.985 415 D CA 1.472 55.491 54.000 0.031 0.000 0.826 415 D CB 0.028 40.840 40.800 0.021 0.000 0.978 415 D HN 0.266 nan 8.370 nan 0.000 0.456 416 A N 0.189 123.030 122.820 0.036 0.000 1.940 416 A HA -0.195 4.128 4.320 0.005 0.000 0.219 416 A C 2.223 179.833 177.584 0.043 0.000 1.176 416 A CA 1.498 53.558 52.037 0.038 0.000 0.631 416 A CB -0.579 18.445 19.000 0.040 0.000 0.814 416 A HN 0.180 nan 8.150 nan 0.000 0.446 417 R N -1.170 119.362 120.500 0.054 0.000 2.189 417 R HA 0.019 4.363 4.340 0.005 0.000 0.223 417 R C 2.325 178.653 176.300 0.048 0.000 1.092 417 R CA 0.854 56.989 56.100 0.057 0.000 0.989 417 R CB -0.191 30.157 30.300 0.080 0.000 0.876 417 R HN 0.485 nan 8.270 nan 0.000 0.457 418 R N -0.295 120.231 120.500 0.044 0.000 2.120 418 R HA -0.090 4.253 4.340 0.005 0.000 0.234 418 R C 2.078 178.396 176.300 0.030 0.000 1.123 418 R CA 1.689 57.810 56.100 0.036 0.000 0.975 418 R CB -0.037 30.283 30.300 0.033 0.000 0.866 418 R HN 0.183 nan 8.270 nan 0.000 0.446 419 S N -0.659 115.058 115.700 0.030 0.000 2.562 419 S HA 0.067 4.540 4.470 0.005 0.000 0.221 419 S C 0.877 175.492 174.600 0.025 0.000 0.975 419 S CA 0.114 58.330 58.200 0.026 0.000 0.918 419 S CB 0.374 63.589 63.200 0.026 0.000 0.772 419 S HN 0.304 nan 8.310 nan 0.000 0.531 420 G N 0.000 108.817 108.800 0.028 0.000 5.446 420 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 420 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 420 G CA 0.000 45.115 45.100 0.026 0.000 0.502 420 G HN 0.000 nan 8.290 nan 0.000 0.925