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 3dgz_1_A DATA FIRST_RESID 4 DATA SEQUENCE QQSFDLLVIG GGSGGLACAK EAAQLGKKVA VADYVEPSPR GTKWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGGM IRDAHHYGWE VAQPVQHNWK TMAEAVQNHV DATA SEQUENCE KSLNWGHRVQ LQDRKVKYFN IKASFVDEHT VRGVDKGGKA TLLSAEHIVI DATA SEQUENCE ATGGRPRYPT QVKGALEYGI TSDDIFWLKE SPGKTLVVGA SYVALECAGF DATA SEQUENCE LTGIGLDTTV MMRSIPLRGF DQQMSSLVTE HMESHGTQFL KGCVPSHIKK DATA SEQUENCE LPTNQLQVTW EDHASGKEDT GTFDTVLWAI GRVPETRTLN LEKAGISTNP DATA SEQUENCE KNQKIIVDAQ EATSVPHIYA IGDVAEGRPE LTPTAIKAGK LLAQRLFGKS DATA SEQUENCE STLMDYSNVP TTVFTPLEYG CVGLSEEEAV ALHGQEHVEV YHAYYKPLEF DATA SEQUENCE TVADRDASQC YIKMVCMREP PQLVLGLHFL GPNAGEVTQG FALGIKCGAS DATA SEQUENCE YAQVMQTVGI HPTCSEEVVK LHISKRSGLE PT 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.047 176.000 0.079 0.000 1.003 4 Q CA 0.000 56.007 55.803 0.340 0.000 1.022 4 Q CB 0.000 28.944 28.738 0.343 0.000 1.108 5 Q N 2.398 122.124 119.800 -0.124 0.000 3.065 5 Q HA 0.509 4.849 4.340 0.000 0.000 0.207 5 Q C 0.022 175.833 176.000 -0.316 0.000 1.165 5 Q CA -0.034 55.619 55.803 -0.249 0.000 0.371 5 Q CB -0.211 28.382 28.738 -0.242 0.000 5.665 5 Q HN 0.257 nan 8.270 nan 0.000 0.313 6 S N -0.461 115.015 115.700 -0.374 0.000 2.610 6 S HA 0.665 5.135 4.470 0.000 0.000 0.273 6 S C -0.757 173.469 174.600 -0.623 0.000 1.274 6 S CA -0.406 57.629 58.200 -0.275 0.000 1.023 6 S CB 0.191 63.291 63.200 -0.167 0.000 0.962 6 S HN 0.368 nan 8.310 nan 0.000 0.523 7 F N -0.006 119.946 119.950 0.003 0.000 2.626 7 F HA 0.343 4.870 4.527 0.000 0.000 0.311 7 F C 1.019 176.843 175.800 0.040 0.000 1.088 7 F CA -1.003 57.009 58.000 0.021 0.000 0.949 7 F CB 1.357 40.377 39.000 0.034 0.000 1.322 7 F HN 0.441 nan 8.300 nan 0.000 0.461 8 D N 0.498 121.047 120.400 0.247 0.000 2.097 8 D HA -0.060 4.580 4.640 0.000 0.000 0.195 8 D C 0.110 176.607 176.300 0.328 0.000 0.989 8 D CA 1.742 55.858 54.000 0.193 0.000 0.827 8 D CB 0.246 41.036 40.800 -0.015 0.000 0.966 8 D HN 0.137 nan 8.370 nan 0.000 0.456 9 L N 0.759 122.143 121.223 0.268 0.000 2.385 9 L HA 0.381 4.721 4.340 0.000 0.000 0.273 9 L C -1.422 175.543 176.870 0.160 0.000 0.990 9 L CA -0.540 54.475 54.840 0.292 0.000 0.821 9 L CB 2.252 44.482 42.059 0.285 0.000 1.279 9 L HN -0.166 nan 8.230 nan 0.000 0.412 10 L N 6.320 127.636 121.223 0.155 0.000 2.333 10 L HA 0.677 5.017 4.340 0.000 0.000 0.280 10 L C -1.393 175.517 176.870 0.067 0.000 1.004 10 L CA -0.613 54.242 54.840 0.026 0.000 0.820 10 L CB 1.995 44.066 42.059 0.021 0.000 1.247 10 L HN 0.483 nan 8.230 nan 0.000 0.416 11 V N 5.998 125.925 119.914 0.021 0.000 2.435 11 V HA 0.434 4.554 4.120 0.000 0.000 0.290 11 V C 0.332 176.446 176.094 0.034 0.000 1.030 11 V CA -0.565 61.766 62.300 0.053 0.000 0.881 11 V CB 1.848 33.699 31.823 0.046 0.000 0.983 11 V HN 0.556 nan 8.190 nan 0.000 0.445 12 I N 4.200 124.803 120.570 0.055 0.000 2.306 12 I HA 0.703 4.873 4.170 0.000 0.000 0.288 12 I C 0.705 176.866 176.117 0.073 0.000 1.036 12 I CA -0.119 61.207 61.300 0.043 0.000 1.221 12 I CB 0.992 38.998 38.000 0.010 0.000 1.385 12 I HN 0.904 nan 8.210 nan 0.000 0.472 13 G N 3.610 112.455 108.800 0.074 0.000 3.306 13 G HA2 0.005 3.965 3.960 0.000 0.000 0.672 13 G HA3 0.005 3.965 3.960 0.000 0.000 0.672 13 G C -0.072 174.857 174.900 0.049 0.000 1.212 13 G CA -0.627 44.522 45.100 0.081 0.000 1.150 13 G HN 0.971 nan 8.290 nan 0.000 0.509 14 G N 0.767 109.589 108.800 0.036 0.000 3.717 14 G HA2 0.667 4.627 3.960 0.000 0.000 0.258 14 G HA3 0.667 4.627 3.960 0.000 0.000 0.258 14 G C 0.778 175.633 174.900 -0.074 0.000 1.088 14 G CA 0.824 45.894 45.100 -0.050 0.000 1.737 14 G HN 1.237 nan 8.290 nan 0.000 0.648 15 G N -0.157 108.622 108.800 -0.036 0.000 3.119 15 G HA2 0.420 4.380 3.960 0.000 0.000 0.206 15 G HA3 0.420 4.380 3.960 0.000 0.000 0.206 15 G C 1.125 175.997 174.900 -0.047 0.000 1.313 15 G CA 0.235 45.325 45.100 -0.018 0.000 1.010 15 G HN 0.165 nan 8.290 nan 0.000 0.578 16 S N -0.301 115.402 115.700 0.005 0.000 2.359 16 S HA -0.131 4.339 4.470 0.000 0.000 0.223 16 S C 2.418 177.025 174.600 0.012 0.000 1.039 16 S CA 1.973 60.181 58.200 0.014 0.000 1.042 16 S CB -0.690 62.540 63.200 0.050 0.000 0.915 16 S HN 0.789 nan 8.310 nan 0.000 0.439 17 G N 0.480 109.299 108.800 0.032 0.000 2.403 17 G HA2 0.084 4.044 3.960 0.000 0.000 0.216 17 G HA3 0.084 4.044 3.960 0.000 0.000 0.216 17 G C 1.363 176.277 174.900 0.024 0.000 1.154 17 G CA 0.831 45.955 45.100 0.040 0.000 0.784 17 G HN 0.563 nan 8.290 nan 0.000 0.538 18 G N 0.734 109.543 108.800 0.014 0.000 2.396 18 G HA2 -0.019 3.941 3.960 0.000 0.000 0.214 18 G HA3 -0.019 3.941 3.960 0.000 0.000 0.214 18 G C 1.775 176.659 174.900 -0.027 0.000 1.166 18 G CA 0.395 45.501 45.100 0.010 0.000 0.793 18 G HN 0.383 nan 8.290 nan 0.000 0.533 19 L N 0.784 121.959 121.223 -0.081 0.000 2.093 19 L HA 0.005 4.345 4.340 0.000 0.000 0.208 19 L C 3.369 180.199 176.870 -0.066 0.000 1.085 19 L CA 0.898 55.661 54.840 -0.129 0.000 0.755 19 L CB -0.374 41.496 42.059 -0.316 0.000 0.904 19 L HN 0.285 nan 8.230 nan 0.000 0.435 20 A N -0.875 121.923 122.820 -0.037 0.000 1.902 20 A HA -0.277 4.043 4.320 0.000 0.000 0.217 20 A C 2.483 180.068 177.584 0.002 0.000 1.181 20 A CA 1.921 53.955 52.037 -0.006 0.000 0.623 20 A CB -1.218 17.785 19.000 0.005 0.000 0.818 20 A HN 0.568 nan 8.150 nan 0.000 0.443 21 C N -1.030 118.274 119.300 0.006 0.000 2.476 21 C HA 0.179 4.639 4.460 0.000 0.000 0.278 21 C C 3.208 178.218 174.990 0.034 0.000 1.274 21 C CA 1.061 60.090 59.018 0.018 0.000 1.713 21 C CB -1.288 26.464 27.740 0.021 0.000 2.039 21 C HN 0.682 nan 8.230 nan 0.000 0.484 22 A N 0.579 123.410 122.820 0.018 0.000 1.865 22 A HA -0.224 4.096 4.320 0.000 0.000 0.217 22 A C 2.195 179.783 177.584 0.007 0.000 1.191 22 A CA 2.105 54.150 52.037 0.013 0.000 0.623 22 A CB -0.701 18.290 19.000 -0.014 0.000 0.826 22 A HN 0.750 nan 8.150 nan 0.000 0.444 23 K N -0.936 119.462 120.400 -0.004 0.000 2.063 23 K HA -0.198 4.122 4.320 0.000 0.000 0.208 23 K C 2.130 178.734 176.600 0.007 0.000 1.048 23 K CA 1.707 57.992 56.287 -0.003 0.000 0.928 23 K CB -0.106 32.392 32.500 -0.003 0.000 0.713 23 K HN 0.541 nan 8.250 nan 0.000 0.442 24 E N 0.602 120.813 120.200 0.019 0.000 2.208 24 E HA -0.061 4.289 4.350 0.000 0.000 0.193 24 E C 1.663 178.297 176.600 0.056 0.000 0.988 24 E CA 0.981 57.398 56.400 0.029 0.000 0.828 24 E CB 0.027 29.742 29.700 0.026 0.000 0.763 24 E HN 0.301 nan 8.360 nan 0.000 0.478 25 A N 0.659 123.526 122.820 0.078 0.000 1.898 25 A HA 0.020 4.340 4.320 0.000 0.000 0.216 25 A C 2.389 179.947 177.584 -0.043 0.000 1.181 25 A CA 1.638 53.735 52.037 0.099 0.000 0.620 25 A CB -0.837 18.255 19.000 0.153 0.000 0.819 25 A HN 0.357 nan 8.150 nan 0.000 0.442 26 A N -0.623 122.179 122.820 -0.030 0.000 2.015 26 A HA -0.146 4.174 4.320 0.000 0.000 0.219 26 A C 2.029 179.596 177.584 -0.030 0.000 1.163 26 A CA 1.483 53.495 52.037 -0.041 0.000 0.646 26 A CB -0.459 18.528 19.000 -0.022 0.000 0.806 26 A HN 0.656 nan 8.150 nan 0.000 0.448 27 Q N -0.972 118.820 119.800 -0.013 0.000 2.297 27 Q HA 0.064 4.404 4.340 0.000 0.000 0.204 27 Q C 0.612 176.609 176.000 -0.006 0.000 0.962 27 Q CA 0.375 56.174 55.803 -0.008 0.000 0.879 27 Q CB -0.011 28.726 28.738 -0.001 0.000 0.947 27 Q HN 0.395 nan 8.270 nan 0.000 0.462 28 L N -0.439 120.782 121.223 -0.003 0.000 2.653 28 L HA 0.214 4.554 4.340 0.000 0.000 0.232 28 L C 1.056 177.902 176.870 -0.039 0.000 1.169 28 L CA 1.062 55.905 54.840 0.006 0.000 0.951 28 L CB -0.419 41.681 42.059 0.070 0.000 1.181 28 L HN 0.359 nan 8.230 nan 0.000 0.460 29 G N -0.864 107.902 108.800 -0.057 0.000 2.157 29 G HA2 -0.238 3.722 3.960 0.000 0.000 0.239 29 G HA3 -0.238 3.722 3.960 0.000 0.000 0.239 29 G C 0.545 175.380 174.900 -0.108 0.000 0.982 29 G CA -0.124 44.938 45.100 -0.064 0.000 0.650 29 G HN 0.218 nan 8.290 nan 0.000 0.527 30 K N 0.435 120.720 120.400 -0.191 0.000 2.118 30 K HA 0.454 4.774 4.320 0.000 0.000 0.264 30 K C 0.385 176.905 176.600 -0.134 0.000 1.000 30 K CA -0.801 55.313 56.287 -0.288 0.000 0.929 30 K CB 1.307 33.379 32.500 -0.713 0.000 1.021 30 K HN 0.324 nan 8.250 nan 0.000 0.463 31 K N 1.769 122.133 120.400 -0.060 0.000 2.316 31 K HA 0.242 4.562 4.320 0.000 0.000 0.289 31 K C -0.976 175.744 176.600 0.201 0.000 1.070 31 K CA -0.320 56.028 56.287 0.100 0.000 0.928 31 K CB 0.395 32.975 32.500 0.132 0.000 1.039 31 K HN 0.204 nan 8.250 nan 0.000 0.480 32 V N 2.889 122.891 119.914 0.145 0.000 2.735 32 V HA 0.694 4.814 4.120 0.000 0.000 0.310 32 V C -0.660 175.277 176.094 -0.262 0.000 1.061 32 V CA -1.028 61.263 62.300 -0.015 0.000 0.913 32 V CB 1.643 33.450 31.823 -0.027 0.000 1.005 32 V HN 0.907 nan 8.190 nan 0.000 0.428 33 A N 3.042 125.531 122.820 -0.551 0.000 2.374 33 A HA 0.930 5.250 4.320 0.000 0.000 0.317 33 A C -0.897 176.569 177.584 -0.197 0.000 1.094 33 A CA -0.688 51.002 52.037 -0.578 0.000 0.765 33 A CB 2.035 20.229 19.000 -1.343 0.000 1.268 33 A HN 1.429 nan 8.150 nan 0.000 0.438 34 V N 1.016 120.924 119.914 -0.010 0.000 2.604 34 V HA 0.854 4.974 4.120 0.000 0.000 0.305 34 V C -0.081 176.128 176.094 0.192 0.000 1.043 34 V CA -0.080 62.255 62.300 0.058 0.000 0.888 34 V CB 1.469 33.313 31.823 0.035 0.000 0.995 34 V HN 1.745 nan 8.190 nan 0.000 0.429 35 A N 4.331 127.226 122.820 0.126 0.000 2.276 35 A HA 0.777 5.097 4.320 0.000 0.000 0.316 35 A C -0.753 176.958 177.584 0.211 0.000 1.229 35 A CA -0.370 51.773 52.037 0.177 0.000 0.851 35 A CB 0.902 19.927 19.000 0.041 0.000 1.165 35 A HN 1.024 nan 8.150 nan 0.000 0.513 36 D N 0.411 121.017 120.400 0.343 0.000 2.896 36 D HA 0.558 5.198 4.640 0.000 0.000 0.241 36 D C -1.774 174.716 176.300 0.316 0.000 1.188 36 D CA -0.010 54.168 54.000 0.297 0.000 0.879 36 D CB 1.107 42.047 40.800 0.234 0.000 1.553 36 D HN 0.410 nan 8.370 nan 0.000 0.515 37 Y N 2.989 123.338 120.300 0.081 0.000 2.441 37 Y HA 0.495 5.045 4.550 0.000 0.000 0.334 37 Y C -1.650 174.219 175.900 -0.052 0.000 1.061 37 Y CA -0.774 57.333 58.100 0.011 0.000 1.032 37 Y CB 1.690 40.145 38.460 -0.008 0.000 1.266 37 Y HN 0.212 nan 8.280 nan 0.000 0.441 38 V N 5.460 125.013 119.914 -0.602 0.000 2.311 38 V HA 0.236 4.356 4.120 0.000 0.000 0.275 38 V C -0.330 175.387 176.094 -0.628 0.000 1.022 38 V CA -0.774 61.173 62.300 -0.589 0.000 0.830 38 V CB 1.016 32.255 31.823 -0.974 0.000 1.012 38 V HN 0.696 nan 8.190 nan 0.000 0.452 39 E N 8.173 128.252 120.200 -0.202 0.000 2.299 39 E HA 0.248 4.598 4.350 0.000 0.000 0.272 39 E C -2.370 174.114 176.600 -0.193 0.000 1.043 39 E CA -1.534 54.840 56.400 -0.044 0.000 0.895 39 E CB 0.692 30.448 29.700 0.093 0.000 1.011 39 E HN 0.413 nan 8.360 nan 0.000 0.432 40 P HA -0.038 nan 4.420 nan 0.000 0.267 40 P C -0.725 176.548 177.300 -0.045 0.000 1.201 40 P CA -0.027 62.962 63.100 -0.185 0.000 0.775 40 P CB 0.513 32.147 31.700 -0.109 0.000 0.854 41 S N 2.630 118.354 115.700 0.042 0.000 2.580 41 S HA 0.105 4.575 4.470 0.000 0.000 0.266 41 S C -1.554 173.110 174.600 0.106 0.000 1.354 41 S CA -0.630 57.668 58.200 0.164 0.000 1.008 41 S CB -0.389 62.981 63.200 0.284 0.000 0.898 41 S HN 0.268 nan 8.310 nan 0.000 0.555 42 P HA -0.097 nan 4.420 nan 0.000 0.217 42 P C 1.190 178.522 177.300 0.054 0.000 1.148 42 P CA 0.991 64.096 63.100 0.008 0.000 0.834 42 P CB 0.082 31.702 31.700 -0.134 0.000 0.783 43 R N -1.757 118.821 120.500 0.131 0.000 2.323 43 R HA 0.192 4.532 4.340 0.000 0.000 0.198 43 R C 1.512 177.875 176.300 0.105 0.000 0.988 43 R CA 0.876 57.054 56.100 0.130 0.000 1.041 43 R CB -1.301 29.107 30.300 0.180 0.000 0.926 43 R HN 0.254 nan 8.270 nan 0.000 0.476 44 G N 0.410 109.258 108.800 0.080 0.000 2.141 44 G HA2 -0.243 3.717 3.960 0.000 0.000 0.231 44 G HA3 -0.243 3.717 3.960 0.000 0.000 0.231 44 G C 0.040 174.967 174.900 0.046 0.000 0.984 44 G CA 0.333 45.461 45.100 0.047 0.000 0.660 44 G HN 0.283 nan 8.290 nan 0.000 0.525 45 T N 2.127 116.741 114.554 0.101 0.000 2.832 45 T HA 0.569 4.919 4.350 0.000 0.000 0.296 45 T C 0.319 174.996 174.700 -0.038 0.000 0.968 45 T CA 0.548 62.722 62.100 0.124 0.000 1.107 45 T CB 1.828 70.891 68.868 0.326 0.000 0.916 45 T HN 0.773 nan 8.240 nan 0.000 0.517 46 K N 1.329 121.603 120.400 -0.210 0.000 2.466 46 K HA 0.634 4.954 4.320 0.000 0.000 0.277 46 K C -1.812 174.523 176.600 -0.441 0.000 1.039 46 K CA -1.015 54.883 56.287 -0.649 0.000 0.904 46 K CB 2.005 34.151 32.500 -0.590 0.000 1.506 46 K HN 0.759 nan 8.250 nan 0.000 0.441 47 W N -1.619 119.459 121.300 -0.369 0.000 2.881 47 W HA 0.601 5.261 4.660 0.000 0.000 0.380 47 W C -0.668 175.742 176.519 -0.181 0.000 1.170 47 W CA -0.788 56.308 57.345 -0.416 0.000 1.171 47 W CB 0.016 29.198 29.460 -0.462 0.000 1.464 47 W HN 0.794 nan 8.180 nan 0.000 0.574 48 G N 0.215 109.153 108.800 0.230 0.000 2.574 48 G HA2 0.509 4.469 3.960 0.000 0.000 0.248 48 G HA3 0.509 4.469 3.960 0.000 0.000 0.248 48 G C -1.197 173.827 174.900 0.206 0.000 1.422 48 G CA -1.029 44.166 45.100 0.158 0.000 1.051 48 G HN 0.788 nan 8.290 nan 0.000 0.560 49 L N 0.007 121.301 121.223 0.118 0.000 2.456 49 L HA 0.496 4.836 4.340 0.000 0.000 0.272 49 L C 1.280 178.215 176.870 0.109 0.000 1.189 49 L CA 1.969 56.819 54.840 0.017 0.000 0.846 49 L CB 1.089 43.016 42.059 -0.220 0.000 1.111 49 L HN 1.122 nan 8.230 nan 0.000 0.475 50 G N 1.400 110.220 108.800 0.033 0.000 2.738 50 G HA2 0.324 4.284 3.960 0.000 0.000 0.195 50 G HA3 0.324 4.284 3.960 0.000 0.000 0.195 50 G C 0.650 175.573 174.900 0.039 0.000 1.001 50 G CA 0.034 45.149 45.100 0.024 0.000 0.759 50 G HN 1.757 nan 8.290 nan 0.000 0.494 51 G N -0.984 107.895 108.800 0.131 0.000 2.627 51 G HA2 0.113 4.073 3.960 0.000 0.000 0.214 51 G HA3 0.113 4.073 3.960 0.000 0.000 0.214 51 G C 0.769 175.756 174.900 0.145 0.000 1.331 51 G CA 0.647 45.844 45.100 0.163 0.000 0.891 51 G HN 1.083 nan 8.290 nan 0.000 0.539 52 T N -0.475 114.156 114.554 0.129 0.000 2.737 52 T HA -0.162 4.188 4.350 0.000 0.000 0.265 52 T C 2.474 177.175 174.700 0.003 0.000 1.038 52 T CA 2.553 64.697 62.100 0.073 0.000 1.144 52 T CB -0.639 68.303 68.868 0.123 0.000 0.866 52 T HN 1.047 nan 8.240 nan 0.000 0.434 53 c N 1.254 119.874 118.600 0.034 0.000 2.393 53 c HA -0.090 4.480 4.570 0.000 0.000 0.276 53 c C 2.780 176.845 174.090 -0.041 0.000 1.215 53 c CA 0.793 57.126 56.329 0.008 0.000 1.743 53 c CB -1.252 41.282 42.510 0.040 0.000 2.044 53 c HN 0.376 nan 8.230 nan 0.000 0.464 54 V N 1.741 121.656 119.914 0.002 0.000 2.287 54 V HA -0.199 3.921 4.120 0.000 0.000 0.248 54 V C 2.242 178.309 176.094 -0.046 0.000 1.053 54 V CA 2.537 64.842 62.300 0.009 0.000 1.027 54 V CB -0.621 31.261 31.823 0.099 0.000 0.646 54 V HN 0.615 nan 8.190 nan 0.000 0.447 55 N N -0.362 118.285 118.700 -0.087 0.000 2.454 55 N HA 0.036 4.776 4.740 0.000 0.000 0.177 55 N C 1.033 176.427 175.510 -0.192 0.000 1.049 55 N CA 1.517 54.497 53.050 -0.117 0.000 0.887 55 N CB 1.279 39.529 38.487 -0.394 0.000 1.095 55 N HN 0.546 nan 8.380 nan 0.000 0.446 56 V N -3.576 116.160 119.914 -0.297 0.000 3.265 56 V HA 0.617 4.737 4.120 0.000 0.000 0.346 56 V C 0.431 176.501 176.094 -0.040 0.000 1.447 56 V CA -0.255 61.966 62.300 -0.132 0.000 1.179 56 V CB 0.518 32.158 31.823 -0.304 0.000 1.103 56 V HN 0.111 nan 8.190 nan 0.000 0.530 57 G N 0.012 108.679 108.800 -0.221 0.000 3.366 57 G HA2 0.260 4.220 3.960 0.000 0.000 0.179 57 G HA3 0.260 4.220 3.960 0.000 0.000 0.179 57 G C 0.949 175.744 174.900 -0.174 0.000 1.143 57 G CA 0.614 45.671 45.100 -0.070 0.000 0.810 57 G HN 0.267 nan 8.290 nan 0.000 0.697 58 c N 0.866 119.432 118.600 -0.057 0.000 2.385 58 c HA -0.065 4.505 4.570 0.000 0.000 0.275 58 c C 2.739 176.712 174.090 -0.196 0.000 1.207 58 c CA 0.514 56.801 56.329 -0.070 0.000 1.760 58 c CB -1.342 41.157 42.510 -0.018 0.000 2.051 58 c HN 0.405 nan 8.230 nan 0.000 0.467 59 I N 2.413 122.861 120.570 -0.204 0.000 2.110 59 I HA -0.082 4.088 4.170 0.000 0.000 0.236 59 I C 0.111 176.026 176.117 -0.338 0.000 1.068 59 I CA 1.665 62.839 61.300 -0.210 0.000 1.333 59 I CB -2.789 35.150 38.000 -0.102 0.000 1.054 59 I HN 0.210 nan 8.210 nan 0.000 0.402 60 P HA -0.181 nan 4.420 nan 0.000 0.218 60 P C 1.627 178.492 177.300 -0.725 0.000 1.149 60 P CA 1.454 64.131 63.100 -0.706 0.000 0.817 60 P CB -0.130 30.913 31.700 -1.095 0.000 0.785 61 K N 1.173 121.131 120.400 -0.738 0.000 2.002 61 K HA -0.192 4.128 4.320 0.000 0.000 0.209 61 K C 2.101 178.629 176.600 -0.121 0.000 1.048 61 K CA 1.774 57.969 56.287 -0.154 0.000 0.930 61 K CB -0.584 31.946 32.500 0.049 0.000 0.714 61 K HN -0.155 nan 8.250 nan 0.000 0.438 62 K N 1.205 121.464 120.400 -0.235 0.000 2.063 62 K HA -0.055 4.265 4.320 0.000 0.000 0.208 62 K C 2.253 178.736 176.600 -0.196 0.000 1.048 62 K CA 1.312 57.431 56.287 -0.280 0.000 0.928 62 K CB -0.443 31.803 32.500 -0.424 0.000 0.713 62 K HN 0.234 nan 8.250 nan 0.000 0.442 63 L N -0.370 120.696 121.223 -0.262 0.000 2.093 63 L HA -0.074 4.266 4.340 0.000 0.000 0.208 63 L C 2.436 179.140 176.870 -0.276 0.000 1.085 63 L CA 1.077 55.758 54.840 -0.264 0.000 0.755 63 L CB -0.238 41.644 42.059 -0.296 0.000 0.904 63 L HN 0.249 nan 8.230 nan 0.000 0.435 64 M N -1.638 117.731 119.600 -0.384 0.000 2.334 64 M HA -0.149 4.331 4.480 0.000 0.000 0.266 64 M C 2.266 178.358 176.300 -0.347 0.000 1.082 64 M CA 1.029 55.988 55.300 -0.569 0.000 1.141 64 M CB -0.496 31.382 32.600 -1.203 0.000 1.380 64 M HN 0.258 nan 8.290 nan 0.000 0.440 65 H N 0.750 119.683 119.070 -0.229 0.000 2.352 65 H HA -0.227 4.329 4.556 0.000 0.000 0.299 65 H C 2.023 177.342 175.328 -0.016 0.000 1.097 65 H CA 2.397 58.465 56.048 0.033 0.000 1.311 65 H CB -0.091 29.723 29.762 0.086 0.000 1.377 65 H HN 0.291 nan 8.280 nan 0.000 0.504 66 Q N 0.397 120.099 119.800 -0.163 0.000 2.124 66 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 66 Q C 2.402 178.296 176.000 -0.177 0.000 0.977 66 Q CA 1.825 57.495 55.803 -0.221 0.000 0.850 66 Q CB -0.706 27.931 28.738 -0.169 0.000 0.901 66 Q HN 0.549 nan 8.270 nan 0.000 0.429 67 A N 0.523 123.247 122.820 -0.160 0.000 1.917 67 A HA -0.174 4.146 4.320 0.000 0.000 0.219 67 A C 2.317 179.822 177.584 -0.130 0.000 1.182 67 A CA 2.244 54.204 52.037 -0.128 0.000 0.633 67 A CB -1.337 17.579 19.000 -0.141 0.000 0.819 67 A HN 0.580 nan 8.150 nan 0.000 0.448 68 A N -0.398 122.359 122.820 -0.105 0.000 1.855 68 A HA 0.009 4.329 4.320 0.000 0.000 0.215 68 A C 2.166 179.705 177.584 -0.074 0.000 1.191 68 A CA 1.407 53.415 52.037 -0.049 0.000 0.613 68 A CB -0.672 18.386 19.000 0.097 0.000 0.829 68 A HN 0.471 nan 8.150 nan 0.000 0.442 69 L N -0.403 120.727 121.223 -0.155 0.000 2.081 69 L HA -0.193 4.147 4.340 0.000 0.000 0.212 69 L C 2.359 179.171 176.870 -0.096 0.000 1.080 69 L CA 0.670 55.421 54.840 -0.148 0.000 0.754 69 L CB -0.543 41.369 42.059 -0.244 0.000 0.893 69 L HN 0.297 nan 8.230 nan 0.000 0.433 70 L N -0.152 121.012 121.223 -0.098 0.000 2.141 70 L HA -0.098 4.242 4.340 0.000 0.000 0.209 70 L C 2.623 179.465 176.870 -0.046 0.000 1.094 70 L CA 1.932 56.728 54.840 -0.074 0.000 0.763 70 L CB -1.983 40.032 42.059 -0.075 0.000 0.908 70 L HN 0.278 nan 8.230 nan 0.000 0.437 71 G N -0.696 108.082 108.800 -0.037 0.000 2.408 71 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 71 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 71 G C 1.606 176.503 174.900 -0.005 0.000 1.150 71 G CA 0.683 45.776 45.100 -0.012 0.000 0.776 71 G HN 0.474 nan 8.290 nan 0.000 0.542 72 G N 0.582 109.372 108.800 -0.017 0.000 2.408 72 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 72 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 72 G C 1.819 176.715 174.900 -0.008 0.000 1.150 72 G CA 0.933 46.025 45.100 -0.014 0.000 0.776 72 G HN 0.233 nan 8.290 nan 0.000 0.542 73 M N 0.507 120.093 119.600 -0.023 0.000 2.108 73 M HA 0.046 4.526 4.480 0.000 0.000 0.261 73 M C 2.581 178.882 176.300 0.000 0.000 1.066 73 M CA 0.895 56.181 55.300 -0.023 0.000 1.107 73 M CB -1.051 31.512 32.600 -0.060 0.000 1.356 73 M HN 0.234 nan 8.290 nan 0.000 0.406 74 I N -0.446 120.122 120.570 -0.003 0.000 2.226 74 I HA -0.321 3.849 4.170 0.000 0.000 0.245 74 I C 2.602 178.766 176.117 0.078 0.000 1.100 74 I CA 1.226 62.535 61.300 0.015 0.000 1.374 74 I CB -0.335 37.667 38.000 0.004 0.000 1.057 74 I HN 0.315 nan 8.210 nan 0.000 0.413 75 R N 0.585 121.134 120.500 0.081 0.000 2.070 75 R HA -0.167 4.173 4.340 0.000 0.000 0.233 75 R C 1.977 178.425 176.300 0.248 0.000 1.137 75 R CA 1.751 57.929 56.100 0.129 0.000 0.945 75 R CB -0.567 29.794 30.300 0.102 0.000 0.845 75 R HN 0.287 nan 8.270 nan 0.000 0.430 76 D N 0.866 121.398 120.400 0.221 0.000 2.157 76 D HA -0.220 4.420 4.640 0.000 0.000 0.191 76 D C 1.819 178.411 176.300 0.486 0.000 1.004 76 D CA 1.840 56.041 54.000 0.335 0.000 0.854 76 D CB -0.381 40.538 40.800 0.199 0.000 0.936 76 D HN 0.306 nan 8.370 nan 0.000 0.446 77 A N 0.143 123.169 122.820 0.343 0.000 1.940 77 A HA -0.265 4.055 4.320 0.000 0.000 0.219 77 A C 2.098 180.004 177.584 0.537 0.000 1.176 77 A CA 1.861 54.151 52.037 0.423 0.000 0.631 77 A CB -0.919 18.182 19.000 0.168 0.000 0.814 77 A HN 0.446 nan 8.150 nan 0.000 0.446 78 H N -1.227 118.005 119.070 0.270 0.000 2.387 78 H HA -0.158 4.398 4.556 0.000 0.000 0.299 78 H C 1.890 177.254 175.328 0.060 0.000 1.090 78 H CA 1.736 57.868 56.048 0.140 0.000 1.332 78 H CB -0.157 29.612 29.762 0.012 0.000 1.386 78 H HN 0.670 nan 8.280 nan 0.000 0.516 79 H N -0.718 118.454 119.070 0.170 0.000 2.422 79 H HA -0.157 4.399 4.556 0.000 0.000 0.298 79 H C 1.176 176.444 175.328 -0.100 0.000 1.098 79 H CA 1.221 57.266 56.048 -0.005 0.000 1.315 79 H CB -0.263 29.486 29.762 -0.020 0.000 1.382 79 H HN 0.505 nan 8.280 nan 0.000 0.523 80 Y N -0.128 120.278 120.300 0.176 0.000 2.471 80 Y HA 0.150 4.700 4.550 0.000 0.000 0.286 80 Y C 1.757 177.622 175.900 -0.058 0.000 1.188 80 Y CA 0.425 58.593 58.100 0.113 0.000 1.286 80 Y CB 0.565 39.161 38.460 0.228 0.000 1.072 80 Y HN 0.359 nan 8.280 nan 0.000 0.517 81 G N -1.719 107.068 108.800 -0.022 0.000 2.195 81 G HA2 -0.255 3.705 3.960 0.000 0.000 0.224 81 G HA3 -0.255 3.705 3.960 0.000 0.000 0.224 81 G C -0.237 174.501 174.900 -0.269 0.000 0.990 81 G CA -0.566 44.401 45.100 -0.222 0.000 0.639 81 G HN 0.273 nan 8.290 nan 0.000 0.514 82 W N 1.857 123.184 121.300 0.045 0.000 2.304 82 W HA 0.593 5.253 4.660 0.000 0.000 0.313 82 W C 0.771 177.362 176.519 0.121 0.000 1.323 82 W CA -0.513 56.874 57.345 0.070 0.000 1.223 82 W CB 0.540 30.051 29.460 0.085 0.000 1.237 82 W HN 0.129 nan 8.180 nan 0.000 0.535 83 E N 2.706 123.088 120.200 0.303 0.000 2.232 83 E HA 0.105 4.455 4.350 0.000 0.000 0.296 83 E C -0.226 176.524 176.600 0.249 0.000 1.372 83 E CA -0.420 56.142 56.400 0.270 0.000 1.527 83 E CB 0.473 30.257 29.700 0.140 0.000 1.424 83 E HN 0.260 nan 8.360 nan 0.000 0.485 84 V N 1.230 121.314 119.914 0.283 0.000 2.583 84 V HA 0.429 4.549 4.120 0.000 0.000 0.287 84 V C -0.034 176.086 176.094 0.043 0.000 1.051 84 V CA -0.450 61.939 62.300 0.148 0.000 1.010 84 V CB 1.050 32.952 31.823 0.131 0.000 0.988 84 V HN 0.443 nan 8.190 nan 0.000 0.478 85 A N 5.757 128.590 122.820 0.022 0.000 2.362 85 A HA 0.410 4.730 4.320 0.000 0.000 0.276 85 A C 0.622 178.185 177.584 -0.034 0.000 1.153 85 A CA -0.268 51.762 52.037 -0.012 0.000 0.813 85 A CB 0.967 19.970 19.000 0.006 0.000 1.081 85 A HN 0.959 nan 8.150 nan 0.000 0.507 86 Q N 1.300 121.059 119.800 -0.069 0.000 2.159 86 Q HA 0.072 4.412 4.340 0.000 0.000 0.194 86 Q C -1.347 174.625 176.000 -0.046 0.000 0.968 86 Q CA 0.919 56.668 55.803 -0.090 0.000 0.837 86 Q CB -1.083 27.544 28.738 -0.186 0.000 0.920 86 Q HN 0.630 nan 8.270 nan 0.000 0.485 87 P HA 0.061 nan 4.420 nan 0.000 0.267 87 P C -0.973 176.328 177.300 0.003 0.000 1.328 87 P CA 0.200 63.294 63.100 -0.009 0.000 0.990 87 P CB 0.266 31.963 31.700 -0.005 0.000 1.168 88 V N 4.662 124.582 119.914 0.011 0.000 2.498 88 V HA 0.086 4.206 4.120 0.000 0.000 0.279 88 V C 0.699 176.818 176.094 0.043 0.000 1.048 88 V CA -0.477 61.836 62.300 0.021 0.000 0.967 88 V CB 0.897 32.733 31.823 0.021 0.000 0.988 88 V HN 0.396 nan 8.190 nan 0.000 0.473 89 Q N 3.141 122.966 119.800 0.042 0.000 2.354 89 Q HA 0.299 4.639 4.340 0.000 0.000 0.244 89 Q C -0.184 175.875 176.000 0.097 0.000 0.969 89 Q CA -0.051 55.791 55.803 0.065 0.000 0.885 89 Q CB 0.822 29.585 28.738 0.042 0.000 1.241 89 Q HN 0.763 nan 8.270 nan 0.000 0.461 90 H N 2.339 121.431 119.070 0.037 0.000 2.457 90 H HA 0.251 4.807 4.556 0.000 0.000 0.335 90 H C -0.956 174.413 175.328 0.068 0.000 1.115 90 H CA -0.494 55.580 56.048 0.045 0.000 1.219 90 H CB 1.276 31.078 29.762 0.066 0.000 1.471 90 H HN 0.456 nan 8.280 nan 0.000 0.491 91 N N 5.817 124.225 118.700 -0.488 0.000 2.546 91 N HA -0.052 4.688 4.740 0.000 0.000 0.238 91 N C 1.119 176.454 175.510 -0.292 0.000 0.984 91 N CA -0.528 52.377 53.050 -0.242 0.000 0.935 91 N CB 0.174 38.559 38.487 -0.170 0.000 1.122 91 N HN 0.738 nan 8.380 nan 0.000 0.510 92 W N 5.171 126.404 121.300 -0.113 0.000 2.290 92 W HA -0.300 4.360 4.660 0.000 0.000 0.328 92 W C 0.880 177.384 176.519 -0.026 0.000 1.272 92 W CA 1.695 59.056 57.345 0.027 0.000 1.262 92 W CB 0.098 29.605 29.460 0.079 0.000 1.151 92 W HN 0.552 nan 8.180 nan 0.000 0.473 93 K N -0.567 119.916 120.400 0.139 0.000 2.044 93 K HA -0.200 4.120 4.320 0.000 0.000 0.210 93 K C 2.008 178.547 176.600 -0.102 0.000 1.049 93 K CA 2.717 59.036 56.287 0.052 0.000 0.927 93 K CB -0.722 31.856 32.500 0.129 0.000 0.713 93 K HN 0.105 nan 8.250 nan 0.000 0.443 94 T N 1.736 116.214 114.554 -0.126 0.000 2.684 94 T HA -0.222 4.128 4.350 0.000 0.000 0.267 94 T C 1.728 176.297 174.700 -0.218 0.000 1.036 94 T CA 1.643 63.649 62.100 -0.156 0.000 1.148 94 T CB -0.168 68.603 68.868 -0.162 0.000 0.863 94 T HN 0.281 nan 8.240 nan 0.000 0.436 95 M N 1.029 120.447 119.600 -0.304 0.000 2.065 95 M HA -0.147 4.333 4.480 0.000 0.000 0.259 95 M C 2.573 178.633 176.300 -0.400 0.000 1.071 95 M CA 2.150 57.258 55.300 -0.319 0.000 1.109 95 M CB -0.478 31.964 32.600 -0.265 0.000 1.313 95 M HN 0.309 nan 8.290 nan 0.000 0.408 96 A N 0.083 122.551 122.820 -0.587 0.000 1.873 96 A HA -0.295 4.025 4.320 0.000 0.000 0.218 96 A C 1.822 179.215 177.584 -0.317 0.000 1.193 96 A CA 2.429 54.135 52.037 -0.550 0.000 0.629 96 A CB -1.159 17.503 19.000 -0.564 0.000 0.826 96 A HN 0.709 nan 8.150 nan 0.000 0.447 97 E N 0.028 120.102 120.200 -0.209 0.000 2.048 97 E HA -0.172 4.178 4.350 0.000 0.000 0.202 97 E C 2.085 178.607 176.600 -0.132 0.000 1.021 97 E CA 2.153 58.480 56.400 -0.121 0.000 0.825 97 E CB -0.586 29.066 29.700 -0.080 0.000 0.756 97 E HN 0.508 nan 8.360 nan 0.000 0.454 98 A N 0.024 122.753 122.820 -0.152 0.000 1.865 98 A HA -0.189 4.131 4.320 0.000 0.000 0.217 98 A C 2.585 180.082 177.584 -0.146 0.000 1.191 98 A CA 2.005 53.962 52.037 -0.133 0.000 0.623 98 A CB -1.022 17.893 19.000 -0.142 0.000 0.826 98 A HN 0.219 nan 8.150 nan 0.000 0.444 99 V N -0.179 119.602 119.914 -0.222 0.000 2.287 99 V HA -0.358 3.762 4.120 0.000 0.000 0.248 99 V C 2.677 178.621 176.094 -0.249 0.000 1.053 99 V CA 2.462 64.610 62.300 -0.254 0.000 1.027 99 V CB -0.972 30.638 31.823 -0.354 0.000 0.646 99 V HN 0.665 nan 8.190 nan 0.000 0.447 100 Q N -0.362 119.249 119.800 -0.314 0.000 2.119 100 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 100 Q C 2.242 178.195 176.000 -0.078 0.000 0.972 100 Q CA 1.444 57.033 55.803 -0.357 0.000 0.847 100 Q CB -0.225 28.294 28.738 -0.366 0.000 0.903 100 Q HN 0.609 nan 8.270 nan 0.000 0.433 101 N N -0.018 118.655 118.700 -0.044 0.000 2.120 101 N HA -0.195 4.545 4.740 0.000 0.000 0.188 101 N C 1.537 177.057 175.510 0.016 0.000 1.024 101 N CA 1.147 54.198 53.050 0.001 0.000 0.852 101 N CB -0.388 38.091 38.487 -0.014 0.000 1.003 101 N HN 0.379 nan 8.380 nan 0.000 0.424 102 H N 0.674 119.697 119.070 -0.078 0.000 2.357 102 H HA 0.003 4.560 4.556 0.000 0.000 0.301 102 H C 1.776 177.083 175.328 -0.035 0.000 1.082 102 H CA 1.111 57.120 56.048 -0.066 0.000 1.342 102 H CB 0.099 29.799 29.762 -0.103 0.000 1.389 102 H HN -0.081 nan 8.280 nan 0.000 0.511 103 V N 1.638 121.511 119.914 -0.069 0.000 2.282 103 V HA -0.282 3.838 4.120 0.000 0.000 0.249 103 V C 2.530 178.640 176.094 0.027 0.000 1.057 103 V CA 2.188 64.463 62.300 -0.042 0.000 1.032 103 V CB -0.427 31.416 31.823 0.033 0.000 0.645 103 V HN 0.395 nan 8.190 nan 0.000 0.447 104 K N 0.602 121.058 120.400 0.093 0.000 2.097 104 K HA -0.156 4.164 4.320 0.000 0.000 0.206 104 K C 2.395 179.056 176.600 0.101 0.000 1.049 104 K CA 1.650 58.021 56.287 0.140 0.000 0.933 104 K CB -0.365 32.221 32.500 0.143 0.000 0.717 104 K HN 0.638 nan 8.250 nan 0.000 0.442 105 S N 1.217 116.919 115.700 0.004 0.000 2.402 105 S HA -0.090 4.380 4.470 0.000 0.000 0.229 105 S C 1.980 176.596 174.600 0.026 0.000 1.021 105 S CA 0.799 59.025 58.200 0.043 0.000 0.974 105 S CB -0.389 62.776 63.200 -0.058 0.000 0.800 105 S HN 0.207 nan 8.310 nan 0.000 0.484 106 L N 1.150 122.283 121.223 -0.149 0.000 2.156 106 L HA -0.015 4.325 4.340 0.000 0.000 0.208 106 L C 2.576 179.394 176.870 -0.087 0.000 1.095 106 L CA 0.894 55.618 54.840 -0.193 0.000 0.770 106 L CB -0.752 41.170 42.059 -0.229 0.000 0.914 106 L HN 0.311 nan 8.230 nan 0.000 0.439 107 N N -0.249 118.492 118.700 0.068 0.000 2.058 107 N HA -0.240 4.500 4.740 0.000 0.000 0.191 107 N C 1.502 177.086 175.510 0.123 0.000 1.037 107 N CA 1.457 54.591 53.050 0.140 0.000 0.848 107 N CB -0.457 38.141 38.487 0.186 0.000 1.021 107 N HN 0.418 nan 8.380 nan 0.000 0.422 108 W N 1.937 123.225 121.300 -0.020 0.000 2.381 108 W HA 0.011 4.671 4.660 0.000 0.000 0.301 108 W C 2.282 178.771 176.519 -0.050 0.000 1.205 108 W CA 1.893 59.225 57.345 -0.021 0.000 1.285 108 W CB -0.802 28.646 29.460 -0.019 0.000 1.133 108 W HN 0.048 nan 8.180 nan 0.000 0.521 109 G N -0.600 108.057 108.800 -0.238 0.000 2.440 109 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 109 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 109 G C 1.387 176.053 174.900 -0.391 0.000 1.154 109 G CA 1.350 46.187 45.100 -0.438 0.000 0.767 109 G HN 0.343 nan 8.290 nan 0.000 0.552 110 H N 0.745 119.692 119.070 -0.204 0.000 2.387 110 H HA 0.028 4.584 4.556 0.000 0.000 0.299 110 H C 2.819 178.004 175.328 -0.238 0.000 1.090 110 H CA 1.208 57.141 56.048 -0.191 0.000 1.332 110 H CB -0.043 29.627 29.762 -0.154 0.000 1.386 110 H HN 0.343 nan 8.280 nan 0.000 0.516 111 R N 0.024 120.433 120.500 -0.152 0.000 2.081 111 R HA -0.061 4.279 4.340 0.000 0.000 0.235 111 R C 2.388 178.560 176.300 -0.213 0.000 1.131 111 R CA 1.175 57.176 56.100 -0.164 0.000 0.960 111 R CB -0.395 29.844 30.300 -0.102 0.000 0.856 111 R HN 0.117 nan 8.270 nan 0.000 0.436 112 V N 1.351 121.028 119.914 -0.395 0.000 2.427 112 V HA -0.214 3.906 4.120 0.000 0.000 0.248 112 V C 2.273 178.228 176.094 -0.232 0.000 1.051 112 V CA 1.642 63.705 62.300 -0.394 0.000 1.048 112 V CB -0.452 30.950 31.823 -0.702 0.000 0.666 112 V HN 0.345 nan 8.190 nan 0.000 0.456 113 Q N -0.647 119.037 119.800 -0.194 0.000 2.187 113 Q HA -0.016 4.324 4.340 0.000 0.000 0.199 113 Q C 2.319 178.275 176.000 -0.073 0.000 0.957 113 Q CA 1.048 56.784 55.803 -0.111 0.000 0.857 113 Q CB -0.060 28.638 28.738 -0.067 0.000 0.929 113 Q HN 0.558 nan 8.270 nan 0.000 0.453 114 L N 0.500 121.679 121.223 -0.073 0.000 1.970 114 L HA -0.275 4.065 4.340 0.000 0.000 0.212 114 L C 2.463 179.310 176.870 -0.038 0.000 1.071 114 L CA 1.550 56.359 54.840 -0.051 0.000 0.751 114 L CB -0.660 41.365 42.059 -0.057 0.000 0.889 114 L HN 0.277 nan 8.230 nan 0.000 0.432 115 Q N 0.030 119.801 119.800 -0.048 0.000 2.062 115 Q HA -0.282 4.058 4.340 0.000 0.000 0.209 115 Q C 1.935 177.913 176.000 -0.036 0.000 0.996 115 Q CA 2.220 58.000 55.803 -0.038 0.000 0.859 115 Q CB -0.268 28.437 28.738 -0.054 0.000 0.920 115 Q HN 0.440 nan 8.270 nan 0.000 0.415 116 D N -0.133 120.234 120.400 -0.055 0.000 2.133 116 D HA -0.138 4.502 4.640 0.000 0.000 0.195 116 D C 1.378 177.660 176.300 -0.030 0.000 0.997 116 D CA 1.222 55.194 54.000 -0.046 0.000 0.840 116 D CB -0.057 40.706 40.800 -0.063 0.000 0.947 116 D HN 0.107 nan 8.370 nan 0.000 0.452 117 R N -0.013 120.470 120.500 -0.028 0.000 2.334 117 R HA 0.165 4.505 4.340 0.000 0.000 0.220 117 R C -0.048 176.248 176.300 -0.007 0.000 0.917 117 R CA -0.073 56.016 56.100 -0.018 0.000 1.073 117 R CB 0.216 30.504 30.300 -0.020 0.000 1.056 117 R HN 0.017 nan 8.270 nan 0.000 0.506 118 K N 0.121 120.519 120.400 -0.003 0.000 3.278 118 K HA -0.157 4.163 4.320 0.000 0.000 0.270 118 K C -0.948 175.670 176.600 0.030 0.000 0.955 118 K CA 0.256 56.551 56.287 0.015 0.000 0.723 118 K CB -1.406 31.106 32.500 0.021 0.000 1.382 118 K HN -0.001 nan 8.250 nan 0.000 0.461 119 V N 1.244 121.167 119.914 0.016 0.000 2.439 119 V HA 0.189 4.309 4.120 0.000 0.000 0.282 119 V C 0.359 176.470 176.094 0.028 0.000 1.039 119 V CA -0.609 61.700 62.300 0.016 0.000 0.913 119 V CB 1.637 33.456 31.823 -0.008 0.000 0.983 119 V HN 0.095 nan 8.190 nan 0.000 0.460 120 K N 3.910 124.332 120.400 0.038 0.000 2.258 120 K HA 0.354 4.674 4.320 0.000 0.000 0.284 120 K C -0.780 175.857 176.600 0.063 0.000 1.051 120 K CA -0.335 55.964 56.287 0.019 0.000 0.923 120 K CB 0.450 33.024 32.500 0.122 0.000 1.046 120 K HN 0.559 nan 8.250 nan 0.000 0.474 121 Y N 4.186 124.394 120.300 -0.153 0.000 2.335 121 Y HA 0.433 4.983 4.550 0.000 0.000 0.339 121 Y C -1.407 174.384 175.900 -0.182 0.000 0.987 121 Y CA -1.624 56.426 58.100 -0.083 0.000 1.140 121 Y CB 0.340 38.758 38.460 -0.070 0.000 1.173 121 Y HN 0.433 nan 8.280 nan 0.000 0.486 122 F N 5.475 125.331 119.950 -0.157 0.000 2.361 122 F HA 0.279 4.806 4.527 0.000 0.000 0.364 122 F C 0.786 176.350 175.800 -0.394 0.000 1.117 122 F CA -0.624 57.203 58.000 -0.290 0.000 1.071 122 F CB 0.905 39.838 39.000 -0.112 0.000 1.188 122 F HN 0.604 nan 8.300 nan 0.000 0.464 123 N N 5.506 123.877 118.700 -0.548 0.000 2.892 123 N HA 0.152 4.892 4.740 0.000 0.000 0.300 123 N C -0.907 174.670 175.510 0.113 0.000 1.211 123 N CA 0.165 53.085 53.050 -0.216 0.000 1.158 123 N CB -0.029 38.289 38.487 -0.282 0.000 1.455 123 N HN 0.479 nan 8.380 nan 0.000 0.524 124 I N 2.916 123.598 120.570 0.186 0.000 2.607 124 I HA 0.104 4.274 4.170 0.000 0.000 0.290 124 I C -0.389 175.747 176.117 0.033 0.000 1.129 124 I CA -0.952 60.410 61.300 0.104 0.000 1.042 124 I CB 2.186 40.235 38.000 0.082 0.000 1.242 124 I HN 0.339 nan 8.210 nan 0.000 0.421 125 K N 6.071 126.311 120.400 -0.267 0.000 2.220 125 K HA 0.545 4.865 4.320 0.000 0.000 0.283 125 K C -0.339 176.151 176.600 -0.182 0.000 1.098 125 K CA -0.261 55.837 56.287 -0.316 0.000 0.928 125 K CB 1.067 33.104 32.500 -0.772 0.000 1.214 125 K HN 0.520 nan 8.250 nan 0.000 0.442 126 A N 2.977 125.732 122.820 -0.110 0.000 2.388 126 A HA 0.409 4.729 4.320 0.000 0.000 0.257 126 A C -0.166 177.332 177.584 -0.143 0.000 1.095 126 A CA -0.438 51.510 52.037 -0.150 0.000 0.791 126 A CB 0.352 19.245 19.000 -0.179 0.000 1.029 126 A HN 0.899 nan 8.150 nan 0.000 0.489 127 S N 0.437 116.037 115.700 -0.167 0.000 2.556 127 S HA 0.690 5.160 4.470 0.000 0.000 0.271 127 S C -0.810 173.699 174.600 -0.152 0.000 1.135 127 S CA -0.693 57.443 58.200 -0.107 0.000 0.858 127 S CB 0.702 63.890 63.200 -0.020 0.000 1.114 127 S HN 0.403 nan 8.310 nan 0.000 0.468 128 F N 1.851 121.800 119.950 -0.003 0.000 2.506 128 F HA 0.281 4.808 4.527 0.000 0.000 0.371 128 F C 1.690 177.489 175.800 -0.002 0.000 1.078 128 F CA 0.111 58.111 58.000 0.001 0.000 1.195 128 F CB 1.325 40.327 39.000 0.004 0.000 1.099 128 F HN 0.610 nan 8.300 nan 0.000 0.548 129 V N 0.197 120.207 119.914 0.159 0.000 2.685 129 V HA 0.144 4.264 4.120 0.000 0.000 0.244 129 V C 0.121 176.291 176.094 0.126 0.000 1.054 129 V CA 1.490 63.854 62.300 0.106 0.000 1.076 129 V CB 0.079 31.930 31.823 0.047 0.000 0.725 129 V HN 0.783 nan 8.190 nan 0.000 0.467 130 D N -0.649 119.856 120.400 0.176 0.000 2.825 130 D HA 0.150 4.790 4.640 0.000 0.000 0.327 130 D C 0.664 177.074 176.300 0.183 0.000 1.277 130 D CA 0.140 54.225 54.000 0.141 0.000 0.950 130 D CB 0.336 41.199 40.800 0.106 0.000 1.438 130 D HN 0.299 nan 8.370 nan 0.000 0.526 131 E N -1.246 118.974 120.200 0.033 0.000 2.511 131 E HA -0.046 4.304 4.350 0.000 0.000 0.196 131 E C 0.196 176.789 176.600 -0.010 0.000 1.066 131 E CA 0.707 57.086 56.400 -0.035 0.000 0.871 131 E CB -0.354 29.253 29.700 -0.155 0.000 0.863 131 E HN 0.567 nan 8.360 nan 0.000 0.520 132 H N -0.865 118.322 119.070 0.195 0.000 3.255 132 H HA 0.257 4.813 4.556 0.000 0.000 0.256 132 H C -0.319 175.070 175.328 0.101 0.000 1.049 132 H CA 0.271 56.366 56.048 0.079 0.000 1.202 132 H CB 1.455 31.208 29.762 -0.015 0.000 1.497 132 H HN -0.040 nan 8.280 nan 0.000 0.503 133 T N 1.099 115.792 114.554 0.232 0.000 2.876 133 T HA 0.538 4.888 4.350 0.000 0.000 0.289 133 T C -1.040 173.683 174.700 0.038 0.000 1.014 133 T CA -0.596 61.572 62.100 0.114 0.000 0.986 133 T CB 2.737 71.660 68.868 0.092 0.000 1.021 133 T HN -0.149 nan 8.240 nan 0.000 0.458 134 V N 2.536 122.401 119.914 -0.082 0.000 2.760 134 V HA 0.603 4.723 4.120 0.000 0.000 0.309 134 V C -0.500 175.502 176.094 -0.153 0.000 1.077 134 V CA -0.923 61.247 62.300 -0.216 0.000 0.910 134 V CB 2.227 33.833 31.823 -0.362 0.000 1.008 134 V HN 0.729 nan 8.190 nan 0.000 0.424 135 R N 2.664 123.080 120.500 -0.141 0.000 2.387 135 R HA 0.722 5.062 4.340 0.000 0.000 0.314 135 R C -0.238 175.984 176.300 -0.131 0.000 0.958 135 R CA -0.264 55.769 56.100 -0.112 0.000 0.846 135 R CB 1.688 31.945 30.300 -0.071 0.000 1.147 135 R HN 0.886 nan 8.270 nan 0.000 0.447 136 G N 1.983 110.708 108.800 -0.125 0.000 2.448 136 G HA2 0.517 4.477 3.960 0.000 0.000 0.324 136 G HA3 0.517 4.477 3.960 0.000 0.000 0.324 136 G C -1.334 173.506 174.900 -0.100 0.000 1.203 136 G CA -0.435 44.592 45.100 -0.122 0.000 0.954 136 G HN 0.394 nan 8.290 nan 0.000 0.480 137 V N 2.706 122.538 119.914 -0.137 0.000 2.443 137 V HA 0.276 4.396 4.120 0.000 0.000 0.293 137 V C -0.315 175.692 176.094 -0.145 0.000 1.021 137 V CA -0.965 61.258 62.300 -0.128 0.000 0.848 137 V CB 1.155 32.891 31.823 -0.144 0.000 0.998 137 V HN 0.985 nan 8.190 nan 0.000 0.424 138 D N 4.064 124.435 120.400 -0.048 0.000 2.372 138 D HA 0.100 4.740 4.640 0.000 0.000 0.243 138 D C 0.926 177.245 176.300 0.032 0.000 1.297 138 D CA -0.398 53.612 54.000 0.016 0.000 0.958 138 D CB 0.802 41.622 40.800 0.034 0.000 1.114 138 D HN 0.428 nan 8.370 nan 0.000 0.496 139 K N -0.632 119.843 120.400 0.124 0.000 2.360 139 K HA 0.012 4.332 4.320 0.000 0.000 0.201 139 K C 1.579 178.208 176.600 0.048 0.000 1.046 139 K CA 1.065 57.426 56.287 0.124 0.000 0.945 139 K CB -0.210 32.358 32.500 0.114 0.000 0.750 139 K HN 0.583 nan 8.250 nan 0.000 0.464 140 G N 0.509 109.325 108.800 0.027 0.000 3.448 140 G HA2 0.226 4.186 3.960 0.000 0.000 0.261 140 G HA3 0.226 4.186 3.960 0.000 0.000 0.261 140 G C 0.796 175.697 174.900 0.001 0.000 1.173 140 G CA 0.066 45.172 45.100 0.011 0.000 0.835 140 G HN 0.310 nan 8.290 nan 0.000 0.534 141 G N 0.160 108.955 108.800 -0.008 0.000 2.187 141 G HA2 -0.328 3.632 3.960 0.000 0.000 0.261 141 G HA3 -0.328 3.632 3.960 0.000 0.000 0.261 141 G C 0.453 175.340 174.900 -0.022 0.000 1.000 141 G CA 0.698 45.784 45.100 -0.022 0.000 0.718 141 G HN 0.674 nan 8.290 nan 0.000 0.519 142 K N 0.563 120.954 120.400 -0.015 0.000 2.258 142 K HA 0.648 4.968 4.320 0.000 0.000 0.284 142 K C 0.585 177.175 176.600 -0.016 0.000 1.051 142 K CA 0.066 56.348 56.287 -0.009 0.000 0.923 142 K CB 0.630 33.133 32.500 0.004 0.000 1.046 142 K HN 0.415 nan 8.250 nan 0.000 0.474 143 A N 3.431 126.240 122.820 -0.019 0.000 2.331 143 A HA 0.440 4.760 4.320 0.000 0.000 0.283 143 A C -0.560 177.015 177.584 -0.016 0.000 1.142 143 A CA -0.325 51.695 52.037 -0.028 0.000 0.812 143 A CB 0.809 19.789 19.000 -0.033 0.000 1.074 143 A HN 0.745 nan 8.150 nan 0.000 0.497 144 T N 1.899 116.436 114.554 -0.028 0.000 2.907 144 T HA 0.600 4.950 4.350 0.000 0.000 0.292 144 T C -0.600 174.055 174.700 -0.074 0.000 1.043 144 T CA -0.379 61.703 62.100 -0.030 0.000 1.003 144 T CB 1.197 70.062 68.868 -0.005 0.000 1.084 144 T HN 0.462 nan 8.240 nan 0.000 0.483 145 L N 2.555 123.736 121.223 -0.069 0.000 2.313 145 L HA 0.633 4.973 4.340 0.000 0.000 0.283 145 L C -1.397 175.417 176.870 -0.093 0.000 1.013 145 L CA -0.972 53.823 54.840 -0.075 0.000 0.816 145 L CB 1.309 43.344 42.059 -0.041 0.000 1.236 145 L HN 0.289 nan 8.230 nan 0.000 0.419 146 L N 2.904 124.064 121.223 -0.105 0.000 2.408 146 L HA 0.634 4.974 4.340 0.000 0.000 0.268 146 L C -0.198 176.669 176.870 -0.005 0.000 0.986 146 L CA -0.203 54.595 54.840 -0.069 0.000 0.820 146 L CB 2.156 44.102 42.059 -0.188 0.000 1.303 146 L HN 0.639 nan 8.230 nan 0.000 0.411 147 S N 1.463 117.200 115.700 0.062 0.000 2.599 147 S HA 1.043 5.513 4.470 0.000 0.000 0.287 147 S C -0.913 173.773 174.600 0.145 0.000 1.105 147 S CA -0.314 57.935 58.200 0.082 0.000 0.899 147 S CB 2.475 65.702 63.200 0.045 0.000 1.100 147 S HN 1.027 nan 8.310 nan 0.000 0.482 148 A N 0.609 123.516 122.820 0.146 0.000 2.594 148 A HA 0.686 5.006 4.320 0.000 0.000 0.295 148 A C 0.405 178.052 177.584 0.104 0.000 1.071 148 A CA -0.531 51.614 52.037 0.179 0.000 0.685 148 A CB 1.088 20.236 19.000 0.248 0.000 1.285 148 A HN 0.948 nan 8.150 nan 0.000 0.405 149 E N -0.181 120.061 120.200 0.071 0.000 2.038 149 E HA -0.152 4.198 4.350 0.000 0.000 0.195 149 E C -0.212 176.285 176.600 -0.171 0.000 1.000 149 E CA 1.492 57.842 56.400 -0.084 0.000 0.803 149 E CB -0.089 29.572 29.700 -0.066 0.000 0.750 149 E HN 0.753 nan 8.360 nan 0.000 0.448 150 H N -1.296 117.921 119.070 0.245 0.000 2.469 150 H HA 0.455 5.011 4.556 0.000 0.000 0.342 150 H C -0.815 174.705 175.328 0.320 0.000 1.115 150 H CA -0.556 55.693 56.048 0.335 0.000 1.204 150 H CB 1.668 31.631 29.762 0.335 0.000 1.492 150 H HN -0.019 nan 8.280 nan 0.000 0.499 151 I N 2.676 123.540 120.570 0.490 0.000 2.465 151 I HA 0.337 4.507 4.170 0.000 0.000 0.291 151 I C -0.793 175.572 176.117 0.413 0.000 1.014 151 I CA -0.960 60.579 61.300 0.398 0.000 1.093 151 I CB 2.018 40.271 38.000 0.422 0.000 1.267 151 I HN 0.251 nan 8.210 nan 0.000 0.431 152 V N 7.063 127.157 119.914 0.300 0.000 2.444 152 V HA 0.458 4.578 4.120 0.000 0.000 0.294 152 V C -0.156 176.066 176.094 0.214 0.000 1.022 152 V CA -0.479 61.978 62.300 0.262 0.000 0.850 152 V CB 1.820 33.744 31.823 0.168 0.000 0.992 152 V HN 0.446 nan 8.190 nan 0.000 0.426 153 I N 4.049 124.752 120.570 0.223 0.000 2.321 153 I HA 0.688 4.858 4.170 0.000 0.000 0.291 153 I C 0.489 176.695 176.117 0.148 0.000 0.998 153 I CA -0.135 61.282 61.300 0.194 0.000 1.227 153 I CB 1.651 39.788 38.000 0.228 0.000 1.368 153 I HN 0.675 nan 8.210 nan 0.000 0.466 154 A N 3.422 126.316 122.820 0.122 0.000 3.410 154 A HA 0.322 4.642 4.320 0.000 0.000 0.276 154 A C 0.700 178.345 177.584 0.101 0.000 0.995 154 A CA -0.355 51.744 52.037 0.104 0.000 0.934 154 A CB -0.292 18.760 19.000 0.087 0.000 1.191 154 A HN 0.752 nan 8.150 nan 0.000 0.511 155 T N -2.670 111.950 114.554 0.110 0.000 3.107 155 T HA 0.444 4.794 4.350 0.000 0.000 0.249 155 T C 1.356 176.128 174.700 0.120 0.000 1.096 155 T CA 1.010 63.178 62.100 0.114 0.000 1.012 155 T CB -0.199 68.739 68.868 0.116 0.000 0.977 155 T HN 2.063 nan 8.240 nan 0.000 0.527 156 G N 0.581 109.450 108.800 0.115 0.000 2.564 156 G HA2 0.232 4.192 3.960 0.000 0.000 0.273 156 G HA3 0.232 4.192 3.960 0.000 0.000 0.273 156 G C 0.069 175.042 174.900 0.122 0.000 1.242 156 G CA -0.254 44.919 45.100 0.122 0.000 0.951 156 G HN 1.398 nan 8.290 nan 0.000 0.564 157 G N -1.681 107.201 108.800 0.136 0.000 2.682 157 G HA2 0.777 4.737 3.960 0.000 0.000 0.290 157 G HA3 0.777 4.737 3.960 0.000 0.000 0.290 157 G C -1.116 173.878 174.900 0.156 0.000 1.425 157 G CA -0.339 44.839 45.100 0.129 0.000 0.807 157 G HN 0.716 nan 8.290 nan 0.000 0.482 158 R N -0.822 119.769 120.500 0.152 0.000 2.855 158 R HA 0.538 4.878 4.340 0.000 0.000 0.266 158 R C -2.846 173.547 176.300 0.155 0.000 1.034 158 R CA -1.982 54.227 56.100 0.183 0.000 0.944 158 R CB 1.365 31.786 30.300 0.201 0.000 1.219 158 R HN 0.274 nan 8.270 nan 0.000 0.474 159 P HA 0.084 nan 4.420 nan 0.000 0.265 159 P C -0.360 176.997 177.300 0.095 0.000 1.193 159 P CA 0.020 63.180 63.100 0.099 0.000 0.765 159 P CB 0.507 32.254 31.700 0.078 0.000 0.823 160 R N 3.051 123.572 120.500 0.035 0.000 2.490 160 R HA 0.264 4.604 4.340 0.000 0.000 0.280 160 R C -0.776 175.469 176.300 -0.093 0.000 1.077 160 R CA -0.046 56.072 56.100 0.030 0.000 1.065 160 R CB 0.163 30.470 30.300 0.011 0.000 1.003 160 R HN 0.388 nan 8.270 nan 0.000 0.470 161 Y N 4.271 124.502 120.300 -0.115 0.000 2.387 161 Y HA 0.373 4.923 4.550 0.000 0.000 0.336 161 Y C -1.537 174.172 175.900 -0.319 0.000 1.067 161 Y CA -2.214 55.712 58.100 -0.290 0.000 1.114 161 Y CB 1.404 39.710 38.460 -0.257 0.000 1.208 161 Y HN 0.617 nan 8.280 nan 0.000 0.458 162 P HA 0.160 nan 4.420 nan 0.000 0.274 162 P C -0.784 176.413 177.300 -0.172 0.000 1.231 162 P CA -0.292 62.631 63.100 -0.295 0.000 0.790 162 P CB 0.965 32.370 31.700 -0.491 0.000 0.951 163 T N 1.669 116.167 114.554 -0.093 0.000 2.929 163 T HA 0.244 4.594 4.350 0.000 0.000 0.284 163 T C 0.365 175.045 174.700 -0.034 0.000 1.014 163 T CA 0.062 62.128 62.100 -0.056 0.000 1.051 163 T CB 1.175 70.026 68.868 -0.029 0.000 1.028 163 T HN 0.431 nan 8.240 nan 0.000 0.485 164 Q N -0.299 119.495 119.800 -0.010 0.000 2.406 164 Q HA -0.124 4.216 4.340 0.000 0.000 0.164 164 Q C -0.535 175.500 176.000 0.058 0.000 0.570 164 Q CA 0.585 56.404 55.803 0.026 0.000 1.324 164 Q CB -1.550 27.208 28.738 0.033 0.000 1.119 164 Q HN 0.527 nan 8.270 nan 0.000 1.026 165 V N 2.779 122.713 119.914 0.034 0.000 2.277 165 V HA 0.283 4.403 4.120 0.000 0.000 0.269 165 V C 0.280 176.446 176.094 0.121 0.000 1.036 165 V CA -0.121 62.243 62.300 0.107 0.000 0.821 165 V CB 0.874 32.751 31.823 0.089 0.000 1.052 165 V HN 0.234 nan 8.190 nan 0.000 0.462 166 K N 3.096 123.591 120.400 0.158 0.000 2.451 166 K HA 0.510 4.830 4.320 0.000 0.000 0.280 166 K C 1.021 177.747 176.600 0.209 0.000 1.020 166 K CA 0.608 56.973 56.287 0.130 0.000 1.008 166 K CB 0.540 33.095 32.500 0.092 0.000 0.917 166 K HN 0.882 nan 8.250 nan 0.000 0.478 167 G N 1.826 110.706 108.800 0.132 0.000 2.213 167 G HA2 -0.356 3.604 3.960 0.000 0.000 0.236 167 G HA3 -0.356 3.604 3.960 0.000 0.000 0.236 167 G C 0.995 176.031 174.900 0.227 0.000 0.991 167 G CA 0.273 45.475 45.100 0.171 0.000 0.629 167 G HN 0.869 nan 8.290 nan 0.000 0.517 168 A N -0.077 122.891 122.820 0.248 0.000 1.877 168 A HA 0.312 4.632 4.320 0.000 0.000 0.216 168 A C 2.338 180.134 177.584 0.353 0.000 1.186 168 A CA 2.260 54.529 52.037 0.386 0.000 0.620 168 A CB -0.358 18.603 19.000 -0.066 0.000 0.822 168 A HN 1.129 nan 8.150 nan 0.000 0.443 169 L N 0.489 121.747 121.223 0.058 0.000 2.141 169 L HA -0.134 4.206 4.340 0.000 0.000 0.209 169 L C 2.530 179.344 176.870 -0.093 0.000 1.094 169 L CA 2.292 57.045 54.840 -0.145 0.000 0.763 169 L CB -0.525 41.364 42.059 -0.282 0.000 0.908 169 L HN 0.616 nan 8.230 nan 0.000 0.437 170 E N -1.833 118.254 120.200 -0.188 0.000 2.112 170 E HA -0.182 4.168 4.350 0.000 0.000 0.190 170 E C 1.649 178.126 176.600 -0.205 0.000 0.979 170 E CA 1.344 57.528 56.400 -0.359 0.000 0.814 170 E CB -0.456 28.759 29.700 -0.808 0.000 0.762 170 E HN 0.498 nan 8.360 nan 0.000 0.460 171 Y N 1.161 121.579 120.300 0.196 0.000 2.483 171 Y HA 0.384 4.934 4.550 0.000 0.000 0.258 171 Y C 1.622 177.641 175.900 0.198 0.000 1.083 171 Y CA -0.207 57.997 58.100 0.174 0.000 1.283 171 Y CB -0.051 38.502 38.460 0.156 0.000 1.178 171 Y HN -0.011 nan 8.280 nan 0.000 0.515 172 G N 1.035 110.121 108.800 0.477 0.000 2.562 172 G HA2 0.550 4.510 3.960 0.000 0.000 0.275 172 G HA3 0.550 4.510 3.960 0.000 0.000 0.275 172 G C -0.391 174.737 174.900 0.380 0.000 1.196 172 G CA -0.350 45.007 45.100 0.428 0.000 0.908 172 G HN 0.209 nan 8.290 nan 0.000 0.524 173 I N -2.374 118.317 120.570 0.202 0.000 3.239 173 I HA 0.917 5.087 4.170 0.000 0.000 0.314 173 I C 0.024 176.199 176.117 0.097 0.000 1.126 173 I CA -0.990 60.422 61.300 0.185 0.000 0.973 173 I CB 2.454 40.505 38.000 0.086 0.000 1.252 173 I HN 0.707 nan 8.210 nan 0.000 0.463 174 T N -1.857 112.751 114.554 0.090 0.000 2.742 174 T HA 0.335 4.685 4.350 0.000 0.000 0.282 174 T C 0.843 175.551 174.700 0.013 0.000 1.025 174 T CA 0.016 62.130 62.100 0.022 0.000 1.020 174 T CB 1.051 69.942 68.868 0.037 0.000 1.317 174 T HN 0.884 nan 8.240 nan 0.000 0.538 175 S N -0.330 115.371 115.700 0.001 0.000 2.465 175 S HA -0.116 4.354 4.470 0.000 0.000 0.241 175 S C 1.093 175.741 174.600 0.080 0.000 1.000 175 S CA 1.236 59.419 58.200 -0.029 0.000 0.964 175 S CB -0.794 62.452 63.200 0.077 0.000 0.763 175 S HN 0.686 nan 8.310 nan 0.000 0.512 176 D N 1.796 122.305 120.400 0.182 0.000 2.224 176 D HA 0.009 4.649 4.640 0.000 0.000 0.205 176 D C 1.356 177.881 176.300 0.375 0.000 0.965 176 D CA 0.943 55.108 54.000 0.274 0.000 0.852 176 D CB -0.196 40.855 40.800 0.419 0.000 0.947 176 D HN 0.478 nan 8.370 nan 0.000 0.494 177 D N -0.096 120.474 120.400 0.283 0.000 2.324 177 D HA 0.031 4.671 4.640 0.000 0.000 0.212 177 D C 2.198 178.650 176.300 0.254 0.000 0.984 177 D CA -0.182 54.002 54.000 0.307 0.000 0.885 177 D CB 0.405 41.339 40.800 0.223 0.000 0.996 177 D HN 0.176 nan 8.370 nan 0.000 0.505 178 I N 0.642 121.233 120.570 0.035 0.000 2.264 178 I HA -0.275 3.895 4.170 0.000 0.000 0.248 178 I C 1.471 177.616 176.117 0.046 0.000 1.111 178 I CA 1.170 62.431 61.300 -0.065 0.000 1.382 178 I CB 0.001 37.836 38.000 -0.275 0.000 1.060 178 I HN -0.154 nan 8.210 nan 0.000 0.418 179 F N -1.274 118.804 119.950 0.213 0.000 2.661 179 F HA -0.099 4.428 4.527 0.000 0.000 0.298 179 F C 1.184 176.816 175.800 -0.281 0.000 1.137 179 F CA 0.612 58.555 58.000 -0.095 0.000 1.454 179 F CB -0.537 38.289 39.000 -0.291 0.000 1.103 179 F HN 0.131 nan 8.300 nan 0.000 0.577 180 W N -0.379 121.111 121.300 0.316 0.000 2.702 180 W HA 0.374 5.034 4.660 0.000 0.000 0.369 180 W C -0.167 176.526 176.519 0.291 0.000 0.987 180 W CA -0.445 57.064 57.345 0.274 0.000 1.702 180 W CB 0.004 29.623 29.460 0.264 0.000 1.138 180 W HN -0.318 nan 8.180 nan 0.000 0.552 181 L N 1.877 123.404 121.223 0.508 0.000 2.513 181 L HA 0.001 4.341 4.340 0.000 0.000 0.272 181 L C 1.500 178.663 176.870 0.488 0.000 1.187 181 L CA -0.020 55.074 54.840 0.423 0.000 0.895 181 L CB 0.710 42.926 42.059 0.263 0.000 1.147 181 L HN -0.116 nan 8.230 nan 0.000 0.483 182 K N 1.442 122.032 120.400 0.317 0.000 2.032 182 K HA -0.083 4.237 4.320 0.000 0.000 0.209 182 K C 0.427 177.190 176.600 0.271 0.000 1.048 182 K CA 1.315 57.764 56.287 0.270 0.000 0.927 182 K CB 0.031 32.638 32.500 0.178 0.000 0.712 182 K HN 0.470 nan 8.250 nan 0.000 0.441 183 E N -0.418 119.845 120.200 0.105 0.000 2.281 183 E HA 0.181 4.531 4.350 0.000 0.000 0.262 183 E C -0.717 175.567 176.600 -0.526 0.000 0.933 183 E CA -0.565 55.810 56.400 -0.042 0.000 0.809 183 E CB 1.650 31.328 29.700 -0.036 0.000 1.242 183 E HN -0.045 nan 8.360 nan 0.000 0.418 184 S N 1.921 117.263 115.700 -0.596 0.000 2.558 184 S HA 0.009 4.479 4.470 0.000 0.000 0.293 184 S C -1.373 172.835 174.600 -0.653 0.000 1.292 184 S CA -0.840 56.841 58.200 -0.865 0.000 1.063 184 S CB 0.248 63.295 63.200 -0.255 0.000 0.831 184 S HN 0.254 nan 8.310 nan 0.000 0.499 185 P HA 0.159 nan 4.420 nan 0.000 0.237 185 P C 1.178 178.344 177.300 -0.223 0.000 1.178 185 P CA 0.939 63.803 63.100 -0.393 0.000 0.766 185 P CB -0.785 30.690 31.700 -0.374 0.000 0.876 186 G N 1.248 109.933 108.800 -0.192 0.000 2.566 186 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 186 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 186 G C -0.277 174.584 174.900 -0.066 0.000 1.225 186 G CA -0.014 45.029 45.100 -0.095 0.000 0.966 186 G HN 0.529 nan 8.290 nan 0.000 0.560 187 K N 1.251 121.633 120.400 -0.030 0.000 2.402 187 K HA 0.434 4.754 4.320 0.000 0.000 0.285 187 K C -0.502 176.147 176.600 0.081 0.000 1.054 187 K CA 0.703 57.001 56.287 0.019 0.000 1.001 187 K CB -0.178 32.320 32.500 -0.003 0.000 0.946 187 K HN 0.477 nan 8.250 nan 0.000 0.473 188 T N 5.220 119.800 114.554 0.043 0.000 2.792 188 T HA 0.243 4.593 4.350 0.000 0.000 0.280 188 T C -0.971 173.617 174.700 -0.186 0.000 0.990 188 T CA -0.715 61.339 62.100 -0.077 0.000 0.960 188 T CB 0.984 69.751 68.868 -0.168 0.000 0.939 188 T HN 0.444 nan 8.240 nan 0.000 0.439 189 L N 5.097 126.001 121.223 -0.530 0.000 2.276 189 L HA 0.611 4.951 4.340 0.000 0.000 0.286 189 L C -0.806 175.687 176.870 -0.629 0.000 1.061 189 L CA -0.244 54.083 54.840 -0.855 0.000 0.807 189 L CB 0.788 41.883 42.059 -1.606 0.000 1.177 189 L HN 0.427 nan 8.230 nan 0.000 0.429 190 V N 6.251 125.845 119.914 -0.534 0.000 2.347 190 V HA 0.365 4.485 4.120 0.000 0.000 0.280 190 V C -0.221 175.610 176.094 -0.439 0.000 1.021 190 V CA -0.717 61.309 62.300 -0.456 0.000 0.847 190 V CB 1.495 33.095 31.823 -0.371 0.000 0.990 190 V HN 0.515 nan 8.190 nan 0.000 0.444 191 V N 5.078 124.731 119.914 -0.434 0.000 2.364 191 V HA 0.928 5.048 4.120 0.000 0.000 0.272 191 V C 0.725 176.736 176.094 -0.138 0.000 1.036 191 V CA 0.667 62.784 62.300 -0.305 0.000 0.880 191 V CB 0.454 32.082 31.823 -0.325 0.000 0.991 191 V HN 1.222 nan 8.190 nan 0.000 0.460 192 G N 3.870 112.601 108.800 -0.116 0.000 2.369 192 G HA2 0.513 4.473 3.960 0.000 0.000 0.295 192 G HA3 0.513 4.473 3.960 0.000 0.000 0.295 192 G C -0.332 174.539 174.900 -0.047 0.000 1.298 192 G CA 0.127 45.198 45.100 -0.049 0.000 0.940 192 G HN 1.207 nan 8.290 nan 0.000 0.536 193 A N -0.842 121.974 122.820 -0.005 0.000 2.704 193 A HA 0.716 5.036 4.320 0.000 0.000 0.260 193 A C 1.112 178.723 177.584 0.046 0.000 1.144 193 A CA 1.414 53.470 52.037 0.032 0.000 0.985 193 A CB -0.380 18.649 19.000 0.050 0.000 1.256 193 A HN 2.243 nan 8.150 nan 0.000 0.598 194 S N -0.701 115.012 115.700 0.022 0.000 2.661 194 S HA 0.357 4.827 4.470 0.000 0.000 0.265 194 S C 1.112 175.718 174.600 0.010 0.000 1.225 194 S CA 0.211 58.432 58.200 0.036 0.000 0.986 194 S CB -0.075 63.100 63.200 -0.042 0.000 1.008 194 S HN 0.920 nan 8.310 nan 0.000 0.565 195 Y N -0.488 119.826 120.300 0.022 0.000 2.242 195 Y HA 0.031 4.581 4.550 0.000 0.000 0.291 195 Y C 1.794 177.718 175.900 0.041 0.000 1.137 195 Y CA 1.022 59.112 58.100 -0.016 0.000 1.181 195 Y CB -1.144 37.295 38.460 -0.035 0.000 0.989 195 Y HN 0.275 nan 8.280 nan 0.000 0.527 196 V N 1.809 121.378 119.914 -0.576 0.000 2.233 196 V HA -0.352 3.768 4.120 0.000 0.000 0.247 196 V C 2.973 178.983 176.094 -0.139 0.000 1.050 196 V CA 2.149 64.259 62.300 -0.316 0.000 1.010 196 V CB -1.638 29.963 31.823 -0.370 0.000 0.637 196 V HN 0.647 nan 8.190 nan 0.000 0.444 197 A N -0.126 122.607 122.820 -0.145 0.000 1.903 197 A HA -0.223 4.097 4.320 0.000 0.000 0.219 197 A C 2.230 179.740 177.584 -0.123 0.000 1.191 197 A CA 2.336 54.291 52.037 -0.137 0.000 0.638 197 A CB -0.644 18.290 19.000 -0.111 0.000 0.823 197 A HN 0.521 nan 8.150 nan 0.000 0.451 198 L N -1.312 119.883 121.223 -0.047 0.000 2.072 198 L HA -0.143 4.197 4.340 0.000 0.000 0.205 198 L C 2.608 179.483 176.870 0.009 0.000 1.079 198 L CA 1.374 56.216 54.840 0.004 0.000 0.752 198 L CB -0.793 41.309 42.059 0.072 0.000 0.906 198 L HN 0.475 nan 8.230 nan 0.000 0.436 199 E N -0.158 120.075 120.200 0.055 0.000 2.049 199 E HA -0.271 4.079 4.350 0.000 0.000 0.198 199 E C 2.319 178.885 176.600 -0.057 0.000 1.007 199 E CA 1.970 58.436 56.400 0.109 0.000 0.809 199 E CB -0.237 29.614 29.700 0.251 0.000 0.749 199 E HN 0.530 nan 8.360 nan 0.000 0.450 200 C N 0.505 119.665 119.300 -0.233 0.000 2.462 200 C HA -0.057 4.403 4.460 0.000 0.000 0.278 200 C C 2.939 177.458 174.990 -0.785 0.000 1.253 200 C CA 0.660 59.223 59.018 -0.759 0.000 1.713 200 C CB -1.051 26.425 27.740 -0.440 0.000 2.049 200 C HN 0.548 nan 8.230 nan 0.000 0.477 201 A N 1.010 123.581 122.820 -0.416 0.000 1.927 201 A HA -0.078 4.242 4.320 0.000 0.000 0.220 201 A C 2.371 179.809 177.584 -0.244 0.000 1.185 201 A CA 2.403 54.242 52.037 -0.329 0.000 0.639 201 A CB -1.361 17.464 19.000 -0.292 0.000 0.820 201 A HN 0.589 nan 8.150 nan 0.000 0.451 202 G N -0.274 108.438 108.800 -0.146 0.000 2.421 202 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 202 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 202 G C 1.361 176.306 174.900 0.075 0.000 1.171 202 G CA 1.334 46.445 45.100 0.017 0.000 0.775 202 G HN 0.840 nan 8.290 nan 0.000 0.543 203 F N 0.695 120.722 119.950 0.129 0.000 2.367 203 F HA 0.304 4.831 4.527 0.000 0.000 0.298 203 F C 2.088 177.933 175.800 0.076 0.000 1.094 203 F CA 0.095 58.170 58.000 0.125 0.000 1.409 203 F CB -0.643 38.456 39.000 0.165 0.000 1.064 203 F HN 0.059 nan 8.300 nan 0.000 0.528 204 L N 0.307 121.508 121.223 -0.036 0.000 2.056 204 L HA -0.153 4.187 4.340 0.000 0.000 0.207 204 L C 2.513 179.414 176.870 0.051 0.000 1.078 204 L CA 1.830 56.703 54.840 0.054 0.000 0.749 204 L CB -1.235 40.745 42.059 -0.131 0.000 0.901 204 L HN 0.204 nan 8.230 nan 0.000 0.433 205 T N -0.337 114.222 114.554 0.008 0.000 2.746 205 T HA -0.120 4.230 4.350 0.000 0.000 0.267 205 T C 1.793 176.528 174.700 0.059 0.000 1.039 205 T CA 1.361 63.476 62.100 0.025 0.000 1.142 205 T CB -0.457 68.427 68.868 0.027 0.000 0.866 205 T HN 0.563 nan 8.240 nan 0.000 0.444 206 G N 1.852 110.706 108.800 0.090 0.000 2.448 206 G HA2 -0.096 3.864 3.960 0.000 0.000 0.219 206 G HA3 -0.096 3.864 3.960 0.000 0.000 0.219 206 G C 1.396 176.304 174.900 0.013 0.000 1.127 206 G CA 0.767 45.913 45.100 0.077 0.000 0.766 206 G HN 0.698 nan 8.290 nan 0.000 0.552 207 I N -3.173 117.397 120.570 -0.000 0.000 3.793 207 I HA 0.513 4.683 4.170 0.000 0.000 0.315 207 I C 1.335 177.448 176.117 -0.006 0.000 1.275 207 I CA 0.375 61.584 61.300 -0.152 0.000 1.214 207 I CB 0.206 37.987 38.000 -0.365 0.000 1.018 207 I HN 0.149 nan 8.210 nan 0.000 0.439 208 G N 1.787 110.609 108.800 0.037 0.000 2.134 208 G HA2 -0.164 3.796 3.960 0.000 0.000 0.209 208 G HA3 -0.164 3.796 3.960 0.000 0.000 0.209 208 G C -0.151 174.780 174.900 0.052 0.000 0.993 208 G CA -0.245 44.885 45.100 0.050 0.000 0.669 208 G HN 0.340 nan 8.290 nan 0.000 0.519 209 L N 0.894 122.148 121.223 0.051 0.000 2.334 209 L HA 0.434 4.774 4.340 0.000 0.000 0.277 209 L C 0.388 177.260 176.870 0.004 0.000 1.075 209 L CA -0.972 53.885 54.840 0.028 0.000 0.804 209 L CB 1.060 43.133 42.059 0.024 0.000 1.174 209 L HN 0.100 nan 8.230 nan 0.000 0.438 210 D N 2.276 122.674 120.400 -0.003 0.000 2.368 210 D HA 0.049 4.689 4.640 0.000 0.000 0.268 210 D C -0.735 175.558 176.300 -0.012 0.000 1.298 210 D CA 0.284 54.279 54.000 -0.009 0.000 0.938 210 D CB 0.505 41.297 40.800 -0.013 0.000 1.101 210 D HN 0.431 nan 8.370 nan 0.000 0.509 211 T N 3.117 117.647 114.554 -0.039 0.000 2.824 211 T HA 0.489 4.839 4.350 0.000 0.000 0.282 211 T C -0.246 174.369 174.700 -0.142 0.000 0.993 211 T CA -0.687 61.355 62.100 -0.096 0.000 0.967 211 T CB 1.715 70.501 68.868 -0.136 0.000 0.960 211 T HN 0.190 nan 8.240 nan 0.000 0.441 212 T N 2.034 116.473 114.554 -0.191 0.000 2.876 212 T HA 0.589 4.939 4.350 0.000 0.000 0.289 212 T C -0.532 173.897 174.700 -0.452 0.000 1.014 212 T CA -0.607 61.325 62.100 -0.282 0.000 0.986 212 T CB 1.600 70.387 68.868 -0.136 0.000 1.021 212 T HN 0.355 nan 8.240 nan 0.000 0.458 213 V N 3.550 123.104 119.914 -0.600 0.000 2.384 213 V HA 0.460 4.580 4.120 0.000 0.000 0.287 213 V C -0.172 175.663 176.094 -0.431 0.000 1.020 213 V CA -0.754 61.193 62.300 -0.588 0.000 0.850 213 V CB 1.511 32.839 31.823 -0.826 0.000 0.987 213 V HN 0.887 nan 8.190 nan 0.000 0.436 214 M N 6.847 126.217 119.600 -0.384 0.000 2.063 214 M HA 0.544 5.024 4.480 0.000 0.000 0.348 214 M C -0.826 175.362 176.300 -0.187 0.000 1.180 214 M CA -0.104 54.996 55.300 -0.334 0.000 1.059 214 M CB 0.539 32.868 32.600 -0.451 0.000 1.544 214 M HN 0.577 nan 8.290 nan 0.000 0.447 215 M N 4.437 123.979 119.600 -0.097 0.000 2.268 215 M HA 0.337 4.817 4.480 0.000 0.000 0.344 215 M C 0.940 177.209 176.300 -0.052 0.000 1.106 215 M CA -0.471 54.811 55.300 -0.029 0.000 1.010 215 M CB 1.887 34.519 32.600 0.052 0.000 1.649 215 M HN 0.703 nan 8.290 nan 0.000 0.443 216 R N 1.169 121.646 120.500 -0.039 0.000 2.093 216 R HA 0.084 4.424 4.340 0.000 0.000 0.224 216 R C 0.887 177.179 176.300 -0.013 0.000 1.101 216 R CA 1.301 57.371 56.100 -0.049 0.000 0.979 216 R CB 0.279 30.570 30.300 -0.014 0.000 0.877 216 R HN 0.657 nan 8.270 nan 0.000 0.441 217 S N -0.530 115.178 115.700 0.014 0.000 4.297 217 S HA 0.393 4.863 4.470 0.000 0.000 0.226 217 S C -0.343 174.274 174.600 0.029 0.000 1.134 217 S CA -0.412 57.806 58.200 0.031 0.000 1.591 217 S CB 0.008 63.234 63.200 0.044 0.000 1.393 217 S HN 0.314 nan 8.310 nan 0.000 0.727 218 I N 2.172 122.764 120.570 0.036 0.000 2.720 218 I HA 0.525 4.695 4.170 0.000 0.000 0.287 218 I C -2.489 173.656 176.117 0.048 0.000 1.090 218 I CA -2.018 59.302 61.300 0.034 0.000 1.384 218 I CB 0.520 38.545 38.000 0.041 0.000 1.420 218 I HN 0.269 nan 8.210 nan 0.000 0.575 219 P HA 0.218 nan 4.420 nan 0.000 0.275 219 P C -0.076 177.272 177.300 0.081 0.000 1.227 219 P CA -0.211 62.921 63.100 0.053 0.000 0.781 219 P CB 0.982 32.692 31.700 0.017 0.000 0.906 220 L N -1.030 120.255 121.223 0.103 0.000 3.660 220 L HA -0.244 4.096 4.340 0.000 0.000 0.440 220 L C 1.000 178.068 176.870 0.331 0.000 1.262 220 L CA 0.207 55.155 54.840 0.181 0.000 0.837 220 L CB -1.364 40.692 42.059 -0.005 0.000 1.689 220 L HN 0.575 nan 8.230 nan 0.000 0.890 221 R N 0.832 121.472 120.500 0.232 0.000 2.538 221 R HA 0.129 4.469 4.340 0.000 0.000 0.273 221 R C 1.508 177.957 176.300 0.249 0.000 0.967 221 R CA 1.520 57.738 56.100 0.197 0.000 1.101 221 R CB 0.151 30.533 30.300 0.136 0.000 0.908 221 R HN 0.540 nan 8.270 nan 0.000 0.411 222 G N 2.961 111.861 108.800 0.168 0.000 2.225 222 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 222 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 222 G C -0.050 174.868 174.900 0.030 0.000 0.988 222 G CA 0.095 45.241 45.100 0.076 0.000 0.625 222 G HN 0.520 nan 8.290 nan 0.000 0.527 223 F N 1.575 121.600 119.950 0.124 0.000 2.399 223 F HA 0.460 4.987 4.527 0.000 0.000 0.328 223 F C 0.860 176.746 175.800 0.144 0.000 1.084 223 F CA -0.571 57.536 58.000 0.178 0.000 1.053 223 F CB 0.881 40.033 39.000 0.255 0.000 1.209 223 F HN 0.017 nan 8.300 nan 0.000 0.502 224 D N 2.238 122.843 120.400 0.341 0.000 2.586 224 D HA -0.117 4.523 4.640 0.000 0.000 0.234 224 D C 0.669 177.026 176.300 0.094 0.000 1.132 224 D CA 0.256 54.328 54.000 0.120 0.000 0.860 224 D CB 0.984 41.736 40.800 -0.079 0.000 1.159 224 D HN 0.506 nan 8.370 nan 0.000 0.490 225 Q N 2.834 122.656 119.800 0.037 0.000 2.187 225 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 225 Q C 1.751 177.726 176.000 -0.042 0.000 0.957 225 Q CA 0.905 56.717 55.803 0.016 0.000 0.857 225 Q CB -0.145 28.603 28.738 0.016 0.000 0.929 225 Q HN 0.723 nan 8.270 nan 0.000 0.453 226 Q N -0.329 119.431 119.800 -0.067 0.000 2.079 226 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 226 Q C 1.828 177.736 176.000 -0.152 0.000 0.974 226 Q CA 1.064 56.805 55.803 -0.103 0.000 0.840 226 Q CB 0.118 28.802 28.738 -0.090 0.000 0.898 226 Q HN 0.193 nan 8.270 nan 0.000 0.430 227 M N 0.321 119.811 119.600 -0.183 0.000 2.080 227 M HA -0.124 4.356 4.480 0.000 0.000 0.260 227 M C 2.274 178.340 176.300 -0.389 0.000 1.068 227 M CA 1.470 56.541 55.300 -0.380 0.000 1.109 227 M CB -1.203 30.949 32.600 -0.747 0.000 1.342 227 M HN 0.128 nan 8.290 nan 0.000 0.405 228 S N 0.704 116.273 115.700 -0.220 0.000 2.399 228 S HA -0.113 4.357 4.470 0.000 0.000 0.231 228 S C 2.143 176.674 174.600 -0.115 0.000 1.022 228 S CA 1.667 59.796 58.200 -0.118 0.000 0.983 228 S CB -0.362 62.843 63.200 0.007 0.000 0.803 228 S HN 0.655 nan 8.310 nan 0.000 0.480 229 S N 1.460 117.088 115.700 -0.120 0.000 2.395 229 S HA 0.095 4.565 4.470 0.000 0.000 0.225 229 S C 1.840 176.361 174.600 -0.131 0.000 1.027 229 S CA 0.350 58.475 58.200 -0.125 0.000 0.965 229 S CB -0.480 62.655 63.200 -0.109 0.000 0.812 229 S HN 0.445 nan 8.310 nan 0.000 0.482 230 L N 1.262 122.402 121.223 -0.139 0.000 2.043 230 L HA -0.106 4.234 4.340 0.000 0.000 0.212 230 L C 2.671 179.510 176.870 -0.052 0.000 1.075 230 L CA 1.381 56.159 54.840 -0.102 0.000 0.752 230 L CB -0.840 41.140 42.059 -0.131 0.000 0.891 230 L HN 0.255 nan 8.230 nan 0.000 0.432 231 V N -0.080 119.781 119.914 -0.088 0.000 2.295 231 V HA -0.286 3.834 4.120 0.000 0.000 0.246 231 V C 2.743 178.859 176.094 0.037 0.000 1.049 231 V CA 2.424 64.711 62.300 -0.022 0.000 1.024 231 V CB -0.946 30.851 31.823 -0.042 0.000 0.648 231 V HN 0.703 nan 8.190 nan 0.000 0.447 232 T N -1.806 112.713 114.554 -0.057 0.000 2.867 232 T HA -0.222 4.128 4.350 0.000 0.000 0.268 232 T C 1.735 176.295 174.700 -0.234 0.000 1.057 232 T CA 1.575 63.564 62.100 -0.185 0.000 1.136 232 T CB -0.330 68.248 68.868 -0.483 0.000 0.874 232 T HN 0.626 nan 8.240 nan 0.000 0.466 233 E N 0.667 120.780 120.200 -0.146 0.000 2.085 233 E HA -0.305 4.045 4.350 0.000 0.000 0.194 233 E C 2.138 178.751 176.600 0.022 0.000 0.994 233 E CA 1.433 57.775 56.400 -0.096 0.000 0.801 233 E CB -0.321 29.338 29.700 -0.069 0.000 0.743 233 E HN 0.840 nan 8.360 nan 0.000 0.453 234 H N -0.259 118.835 119.070 0.040 0.000 2.353 234 H HA -0.065 4.491 4.556 0.000 0.000 0.300 234 H C 2.130 177.624 175.328 0.277 0.000 1.090 234 H CA 2.228 58.383 56.048 0.179 0.000 1.327 234 H CB 0.010 29.852 29.762 0.134 0.000 1.383 234 H HN 0.154 nan 8.280 nan 0.000 0.508 235 M N -0.060 119.743 119.600 0.338 0.000 2.117 235 M HA -0.153 4.327 4.480 0.000 0.000 0.262 235 M C 2.397 178.878 176.300 0.302 0.000 1.065 235 M CA 1.890 57.408 55.300 0.364 0.000 1.114 235 M CB -0.148 32.726 32.600 0.457 0.000 1.361 235 M HN 0.437 nan 8.290 nan 0.000 0.408 236 E N 0.014 120.349 120.200 0.226 0.000 2.072 236 E HA -0.141 4.209 4.350 0.000 0.000 0.191 236 E C 1.917 178.516 176.600 -0.001 0.000 0.985 236 E CA 1.396 57.890 56.400 0.157 0.000 0.801 236 E CB 0.167 29.874 29.700 0.011 0.000 0.750 236 E HN 0.361 nan 8.360 nan 0.000 0.452 237 S N -0.168 115.465 115.700 -0.112 0.000 2.419 237 S HA -0.158 4.312 4.470 0.000 0.000 0.235 237 S C 0.841 175.108 174.600 -0.555 0.000 1.019 237 S CA 1.189 59.179 58.200 -0.350 0.000 0.982 237 S CB -0.263 62.605 63.200 -0.553 0.000 0.789 237 S HN 0.396 nan 8.310 nan 0.000 0.490 238 H N -0.429 118.569 119.070 -0.120 0.000 2.507 238 H HA 0.445 5.001 4.556 0.000 0.000 0.294 238 H C 1.318 176.640 175.328 -0.009 0.000 1.064 238 H CA 0.250 56.244 56.048 -0.090 0.000 1.138 238 H CB 0.101 29.770 29.762 -0.155 0.000 1.515 238 H HN 0.375 nan 8.280 nan 0.000 0.547 239 G N 0.037 108.859 108.800 0.036 0.000 2.184 239 G HA2 -0.258 3.702 3.960 0.000 0.000 0.206 239 G HA3 -0.258 3.702 3.960 0.000 0.000 0.206 239 G C 0.327 175.250 174.900 0.038 0.000 0.995 239 G CA -0.035 45.084 45.100 0.032 0.000 0.651 239 G HN 0.343 nan 8.290 nan 0.000 0.511 240 T N 2.301 116.900 114.554 0.075 0.000 2.743 240 T HA 0.510 4.860 4.350 0.000 0.000 0.293 240 T C 0.415 175.129 174.700 0.024 0.000 0.945 240 T CA -0.073 62.028 62.100 0.002 0.000 1.030 240 T CB 1.417 70.272 68.868 -0.022 0.000 0.912 240 T HN 0.387 nan 8.240 nan 0.000 0.483 241 Q N 2.022 121.773 119.800 -0.081 0.000 2.340 241 Q HA 0.418 4.758 4.340 0.000 0.000 0.249 241 Q C -0.995 174.874 176.000 -0.220 0.000 0.957 241 Q CA 0.001 55.782 55.803 -0.035 0.000 0.882 241 Q CB 0.795 29.516 28.738 -0.029 0.000 1.235 241 Q HN 0.558 nan 8.270 nan 0.000 0.439 242 F N 1.523 121.438 119.950 -0.059 0.000 2.518 242 F HA 0.352 4.879 4.527 0.000 0.000 0.323 242 F C -0.662 175.082 175.800 -0.094 0.000 1.129 242 F CA -0.665 57.285 58.000 -0.084 0.000 0.920 242 F CB 1.156 40.119 39.000 -0.062 0.000 1.160 242 F HN 0.257 nan 8.300 nan 0.000 0.440 243 L N 5.069 126.261 121.223 -0.052 0.000 2.264 243 L HA 0.420 4.760 4.340 0.000 0.000 0.287 243 L C -0.433 176.407 176.870 -0.050 0.000 1.039 243 L CA -0.501 54.282 54.840 -0.094 0.000 0.829 243 L CB 0.721 42.570 42.059 -0.350 0.000 1.211 243 L HN 0.513 nan 8.230 nan 0.000 0.427 244 K N 2.004 122.416 120.400 0.020 0.000 2.172 244 K HA 0.526 4.846 4.320 0.000 0.000 0.276 244 K C 0.912 177.508 176.600 -0.006 0.000 1.013 244 K CA -0.136 56.163 56.287 0.020 0.000 0.913 244 K CB 1.497 34.016 32.500 0.032 0.000 1.055 244 K HN 0.720 nan 8.250 nan 0.000 0.461 245 G N 1.413 110.193 108.800 -0.034 0.000 2.198 245 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 245 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 245 G C -0.131 174.639 174.900 -0.217 0.000 1.025 245 G CA -0.179 44.881 45.100 -0.066 0.000 0.769 245 G HN 0.579 nan 8.290 nan 0.000 0.507 246 C N -0.455 118.726 119.300 -0.198 0.000 2.456 246 C HA 0.821 5.281 4.460 0.000 0.000 0.325 246 C C 0.406 175.270 174.990 -0.209 0.000 1.217 246 C CA -0.766 58.137 59.018 -0.190 0.000 1.687 246 C CB 1.741 29.352 27.740 -0.214 0.000 2.270 246 C HN 0.504 nan 8.230 nan 0.000 0.499 247 V N 4.043 123.890 119.914 -0.111 0.000 2.760 247 V HA 0.482 4.602 4.120 0.000 0.000 0.309 247 V C -2.374 173.802 176.094 0.136 0.000 1.077 247 V CA -1.402 60.892 62.300 -0.009 0.000 0.910 247 V CB 2.051 33.883 31.823 0.015 0.000 1.008 247 V HN 0.708 nan 8.190 nan 0.000 0.424 248 P HA 0.290 nan 4.420 nan 0.000 0.274 248 P C 0.315 177.745 177.300 0.217 0.000 1.237 248 P CA -0.207 63.034 63.100 0.235 0.000 0.793 248 P CB 1.128 32.991 31.700 0.271 0.000 0.977 249 S N -1.477 114.320 115.700 0.162 0.000 2.628 249 S HA 0.171 4.641 4.470 0.000 0.000 0.246 249 S C 0.337 175.081 174.600 0.241 0.000 1.062 249 S CA -0.171 58.122 58.200 0.156 0.000 1.028 249 S CB -0.402 62.882 63.200 0.140 0.000 0.985 249 S HN 0.768 nan 8.310 nan 0.000 0.551 250 H N -0.727 118.472 119.070 0.215 0.000 2.938 250 H HA 0.499 5.055 4.556 0.000 0.000 0.273 250 H C -2.041 173.435 175.328 0.246 0.000 1.380 250 H CA -0.999 55.177 56.048 0.213 0.000 1.314 250 H CB 0.086 29.941 29.762 0.155 0.000 1.880 250 H HN 0.193 nan 8.280 nan 0.000 0.489 251 I N 1.683 122.508 120.570 0.425 0.000 2.545 251 I HA 0.359 4.529 4.170 0.000 0.000 0.292 251 I C -0.844 175.497 176.117 0.374 0.000 1.040 251 I CA -0.759 60.760 61.300 0.366 0.000 1.068 251 I CB 2.281 40.539 38.000 0.430 0.000 1.251 251 I HN 0.366 nan 8.210 nan 0.000 0.424 252 K N 4.830 125.347 120.400 0.195 0.000 2.345 252 K HA 0.471 4.791 4.320 0.000 0.000 0.255 252 K C -0.904 175.575 176.600 -0.203 0.000 0.934 252 K CA -0.961 55.379 56.287 0.090 0.000 0.801 252 K CB 2.405 34.972 32.500 0.112 0.000 1.137 252 K HN 0.333 nan 8.250 nan 0.000 0.424 253 K N 3.914 124.002 120.400 -0.521 0.000 2.312 253 K HA 0.215 4.535 4.320 0.000 0.000 0.287 253 K C -0.620 175.867 176.600 -0.189 0.000 1.062 253 K CA -0.311 55.652 56.287 -0.539 0.000 0.934 253 K CB 0.384 32.394 32.500 -0.817 0.000 1.027 253 K HN 0.511 nan 8.250 nan 0.000 0.478 254 L N 6.548 127.694 121.223 -0.129 0.000 2.439 254 L HA 0.270 4.610 4.340 0.000 0.000 0.261 254 L C -1.147 175.696 176.870 -0.044 0.000 1.153 254 L CA -2.085 52.718 54.840 -0.062 0.000 0.808 254 L CB 0.810 42.840 42.059 -0.048 0.000 1.126 254 L HN 0.658 nan 8.230 nan 0.000 0.460 255 P HA -0.159 nan 4.420 nan 0.000 0.220 255 P C 1.106 178.397 177.300 -0.015 0.000 1.144 255 P CA 1.305 64.397 63.100 -0.013 0.000 0.800 255 P CB -0.209 31.487 31.700 -0.008 0.000 0.772 256 T N -5.422 109.118 114.554 -0.023 0.000 3.100 256 T HA 0.084 4.434 4.350 0.000 0.000 0.253 256 T C 0.906 175.591 174.700 -0.026 0.000 1.118 256 T CA 0.149 62.235 62.100 -0.023 0.000 1.058 256 T CB -0.616 68.235 68.868 -0.027 0.000 0.953 256 T HN -0.021 nan 8.240 nan 0.000 0.515 257 N N 0.121 118.800 118.700 -0.035 0.000 2.972 257 N HA -0.162 4.578 4.740 0.000 0.000 0.225 257 N C -0.176 175.300 175.510 -0.056 0.000 0.883 257 N CA 1.149 54.175 53.050 -0.041 0.000 1.010 257 N CB -1.294 37.185 38.487 -0.015 0.000 1.052 257 N HN 0.649 nan 8.380 nan 0.000 0.598 258 Q N 0.165 119.935 119.800 -0.051 0.000 2.524 258 Q HA 0.373 4.713 4.340 0.000 0.000 0.246 258 Q C -0.178 175.780 176.000 -0.071 0.000 1.063 258 Q CA 0.050 55.824 55.803 -0.048 0.000 0.945 258 Q CB 0.546 29.257 28.738 -0.044 0.000 1.292 258 Q HN 0.086 nan 8.270 nan 0.000 0.518 259 L N 1.856 123.062 121.223 -0.030 0.000 2.343 259 L HA 0.253 4.593 4.340 0.000 0.000 0.278 259 L C -0.845 176.065 176.870 0.067 0.000 0.996 259 L CA -0.257 54.564 54.840 -0.032 0.000 0.831 259 L CB 1.484 43.552 42.059 0.015 0.000 1.232 259 L HN 0.545 nan 8.230 nan 0.000 0.413 260 Q N 2.479 122.307 119.800 0.047 0.000 2.331 260 Q HA 0.548 4.888 4.340 0.000 0.000 0.257 260 Q C -1.233 174.870 176.000 0.172 0.000 0.957 260 Q CA -0.180 55.685 55.803 0.104 0.000 0.923 260 Q CB 1.287 30.057 28.738 0.053 0.000 1.212 260 Q HN 0.431 nan 8.270 nan 0.000 0.443 261 V N 4.232 124.319 119.914 0.288 0.000 2.394 261 V HA 0.487 4.607 4.120 0.000 0.000 0.282 261 V C -0.065 176.184 176.094 0.259 0.000 1.031 261 V CA -0.580 61.912 62.300 0.320 0.000 0.881 261 V CB 1.697 33.746 31.823 0.377 0.000 0.982 261 V HN 0.822 nan 8.190 nan 0.000 0.451 262 T N 5.186 119.765 114.554 0.042 0.000 2.824 262 T HA 0.657 5.007 4.350 0.000 0.000 0.280 262 T C -0.725 174.003 174.700 0.048 0.000 0.995 262 T CA -0.283 61.710 62.100 -0.179 0.000 1.009 262 T CB 0.960 69.499 68.868 -0.549 0.000 0.955 262 T HN 0.819 nan 8.240 nan 0.000 0.452 263 W N 1.139 122.391 121.300 -0.080 0.000 3.083 263 W HA 0.713 5.373 4.660 0.000 0.000 0.333 263 W C -1.013 175.510 176.519 0.007 0.000 1.217 263 W CA -1.101 56.223 57.345 -0.035 0.000 1.170 263 W CB 0.941 30.384 29.460 -0.028 0.000 1.437 263 W HN 0.479 nan 8.180 nan 0.000 0.557 264 E N 1.810 122.180 120.200 0.282 0.000 2.200 264 E HA 0.068 4.418 4.350 0.000 0.000 0.283 264 E C -1.163 175.642 176.600 0.342 0.000 1.015 264 E CA -0.432 56.127 56.400 0.266 0.000 0.819 264 E CB 0.959 30.856 29.700 0.328 0.000 1.081 264 E HN 0.419 nan 8.360 nan 0.000 0.397 265 D N 3.454 124.047 120.400 0.321 0.000 2.454 265 D HA 0.080 4.720 4.640 0.000 0.000 0.225 265 D C 0.195 176.679 176.300 0.306 0.000 1.081 265 D CA -0.358 53.818 54.000 0.293 0.000 0.864 265 D CB 0.488 41.465 40.800 0.296 0.000 1.040 265 D HN 0.516 nan 8.370 nan 0.000 0.517 266 H N 2.580 121.718 119.070 0.112 0.000 2.502 266 H HA 0.128 4.684 4.556 0.000 0.000 0.283 266 H C 1.731 177.096 175.328 0.061 0.000 1.015 266 H CA 1.068 57.162 56.048 0.076 0.000 1.298 266 H CB -0.073 29.729 29.762 0.066 0.000 1.411 266 H HN 0.512 nan 8.280 nan 0.000 0.556 267 A N 0.439 123.365 122.820 0.176 0.000 2.014 267 A HA -0.097 4.223 4.320 0.000 0.000 0.218 267 A C 2.387 180.027 177.584 0.093 0.000 1.163 267 A CA 1.634 53.737 52.037 0.111 0.000 0.652 267 A CB -0.228 18.823 19.000 0.086 0.000 0.808 267 A HN 0.503 nan 8.150 nan 0.000 0.449 268 S N -3.189 112.575 115.700 0.107 0.000 2.527 268 S HA 0.422 4.892 4.470 0.000 0.000 0.227 268 S C 1.459 176.103 174.600 0.072 0.000 1.059 268 S CA 1.160 59.407 58.200 0.079 0.000 0.919 268 S CB 0.052 63.296 63.200 0.072 0.000 0.805 268 S HN 1.822 nan 8.310 nan 0.000 0.500 269 G N 1.168 110.027 108.800 0.098 0.000 2.157 269 G HA2 -0.189 3.771 3.960 0.000 0.000 0.239 269 G HA3 -0.189 3.771 3.960 0.000 0.000 0.239 269 G C -0.158 174.779 174.900 0.060 0.000 0.982 269 G CA 0.113 45.257 45.100 0.074 0.000 0.650 269 G HN 0.601 nan 8.290 nan 0.000 0.527 270 K N 0.284 120.721 120.400 0.063 0.000 2.166 270 K HA 0.530 4.850 4.320 0.000 0.000 0.245 270 K C -0.022 176.579 176.600 0.002 0.000 0.967 270 K CA -0.772 55.527 56.287 0.020 0.000 0.863 270 K CB 1.531 34.030 32.500 -0.001 0.000 1.107 270 K HN 0.194 nan 8.250 nan 0.000 0.436 271 E N 1.443 121.614 120.200 -0.049 0.000 2.313 271 E HA 0.050 4.400 4.350 0.000 0.000 0.276 271 E C -0.957 175.466 176.600 -0.296 0.000 1.031 271 E CA 0.008 56.325 56.400 -0.137 0.000 0.857 271 E CB 1.176 30.815 29.700 -0.101 0.000 1.040 271 E HN 0.352 nan 8.360 nan 0.000 0.408 272 D N 0.482 120.493 120.400 -0.648 0.000 2.423 272 D HA 0.407 5.047 4.640 0.000 0.000 0.235 272 D C -1.117 174.408 176.300 -1.291 0.000 1.011 272 D CA -0.327 53.119 54.000 -0.924 0.000 0.963 272 D CB 2.135 42.380 40.800 -0.926 0.000 1.349 272 D HN 0.249 nan 8.370 nan 0.000 0.508 273 T N -0.684 113.279 114.554 -0.984 0.000 2.906 273 T HA 0.806 5.156 4.350 0.000 0.000 0.295 273 T C -0.790 173.678 174.700 -0.388 0.000 1.061 273 T CA -0.461 61.221 62.100 -0.697 0.000 1.000 273 T CB 1.223 69.917 68.868 -0.289 0.000 1.103 273 T HN 0.397 nan 8.240 nan 0.000 0.486 274 G N 0.840 109.695 108.800 0.093 0.000 2.703 274 G HA2 0.540 4.500 3.960 0.000 0.000 0.294 274 G HA3 0.540 4.500 3.960 0.000 0.000 0.294 274 G C -0.899 174.039 174.900 0.063 0.000 1.451 274 G CA -0.303 44.910 45.100 0.189 0.000 0.869 274 G HN 0.819 nan 8.290 nan 0.000 0.516 275 T N -0.587 113.773 114.554 -0.323 0.000 2.797 275 T HA 0.807 5.157 4.350 0.000 0.000 0.279 275 T C -1.025 173.319 174.700 -0.593 0.000 0.991 275 T CA -0.482 61.464 62.100 -0.256 0.000 0.979 275 T CB 0.565 69.352 68.868 -0.134 0.000 0.943 275 T HN 0.303 nan 8.240 nan 0.000 0.444 276 F N 1.454 121.386 119.950 -0.030 0.000 2.640 276 F HA 0.495 5.022 4.527 0.000 0.000 0.324 276 F C 1.065 176.821 175.800 -0.074 0.000 1.077 276 F CA -1.037 56.925 58.000 -0.063 0.000 0.965 276 F CB 1.798 40.744 39.000 -0.091 0.000 1.351 276 F HN 0.486 nan 8.300 nan 0.000 0.487 277 D N -0.558 119.909 120.400 0.110 0.000 2.324 277 D HA 0.107 4.747 4.640 0.000 0.000 0.212 277 D C -0.016 176.287 176.300 0.004 0.000 0.984 277 D CA 1.169 55.181 54.000 0.020 0.000 0.885 277 D CB 0.553 41.339 40.800 -0.025 0.000 0.996 277 D HN 0.370 nan 8.370 nan 0.000 0.505 278 T N 0.319 114.869 114.554 -0.006 0.000 2.912 278 T HA 0.454 4.804 4.350 0.000 0.000 0.299 278 T C -0.599 173.993 174.700 -0.180 0.000 1.052 278 T CA -0.584 61.467 62.100 -0.081 0.000 0.996 278 T CB 3.101 71.894 68.868 -0.124 0.000 1.070 278 T HN -0.343 nan 8.240 nan 0.000 0.465 279 V N 3.439 123.208 119.914 -0.242 0.000 2.407 279 V HA 0.486 4.606 4.120 0.000 0.000 0.291 279 V C -0.659 175.108 176.094 -0.545 0.000 1.018 279 V CA -0.814 61.193 62.300 -0.489 0.000 0.842 279 V CB 1.366 32.862 31.823 -0.546 0.000 0.996 279 V HN 0.717 nan 8.190 nan 0.000 0.426 280 L N 5.853 126.745 121.223 -0.552 0.000 2.257 280 L HA 0.572 4.912 4.340 0.000 0.000 0.290 280 L C -0.804 175.730 176.870 -0.560 0.000 1.044 280 L CA -0.098 54.471 54.840 -0.453 0.000 0.810 280 L CB 0.686 42.551 42.059 -0.323 0.000 1.193 280 L HN 0.630 nan 8.230 nan 0.000 0.425 281 W N 5.514 126.684 121.300 -0.217 0.000 2.345 281 W HA 0.587 5.247 4.660 0.000 0.000 0.308 281 W C 0.236 176.617 176.519 -0.230 0.000 1.273 281 W CA -0.595 56.603 57.345 -0.246 0.000 1.243 281 W CB 1.017 30.259 29.460 -0.364 0.000 1.260 281 W HN 0.708 nan 8.180 nan 0.000 0.509 282 A N 5.193 128.025 122.820 0.019 0.000 3.216 282 A HA 0.435 4.755 4.320 0.000 0.000 0.321 282 A C -0.180 177.396 177.584 -0.014 0.000 1.042 282 A CA -0.513 51.502 52.037 -0.037 0.000 0.838 282 A CB -0.660 18.276 19.000 -0.107 0.000 1.136 282 A HN 0.772 nan 8.150 nan 0.000 0.483 283 I N -2.056 118.527 120.570 0.021 0.000 3.569 283 I HA 0.652 4.822 4.170 0.000 0.000 0.334 283 I C 0.527 176.653 176.117 0.016 0.000 1.570 283 I CA 0.011 61.329 61.300 0.030 0.000 1.082 283 I CB 0.322 38.360 38.000 0.064 0.000 1.323 283 I HN 0.699 nan 8.210 nan 0.000 0.489 284 G N 1.321 110.124 108.800 0.005 0.000 2.525 284 G HA2 -0.029 3.931 3.960 0.000 0.000 0.685 284 G HA3 -0.029 3.931 3.960 0.000 0.000 0.685 284 G C -1.054 173.862 174.900 0.026 0.000 1.290 284 G CA -1.070 44.041 45.100 0.019 0.000 0.915 284 G HN 0.411 nan 8.290 nan 0.000 0.548 285 R N -1.455 119.074 120.500 0.047 0.000 2.807 285 R HA 0.712 5.052 4.340 0.000 0.000 0.276 285 R C -0.733 175.609 176.300 0.070 0.000 0.979 285 R CA -0.877 55.263 56.100 0.066 0.000 0.928 285 R CB 2.561 32.910 30.300 0.083 0.000 1.191 285 R HN 0.490 nan 8.270 nan 0.000 0.471 286 V N 3.517 123.479 119.914 0.080 0.000 2.459 286 V HA 0.352 4.472 4.120 0.000 0.000 0.295 286 V C -2.220 173.924 176.094 0.083 0.000 1.029 286 V CA -2.298 60.046 62.300 0.074 0.000 0.874 286 V CB 1.867 33.733 31.823 0.071 0.000 0.985 286 V HN 0.653 nan 8.190 nan 0.000 0.438 287 P HA 0.094 nan 4.420 nan 0.000 0.266 287 P C -0.368 176.981 177.300 0.082 0.000 1.195 287 P CA -0.116 63.031 63.100 0.078 0.000 0.768 287 P CB 0.481 32.218 31.700 0.062 0.000 0.838 288 E N 1.864 122.121 120.200 0.094 0.000 1.856 288 E HA 0.088 4.438 4.350 0.000 0.000 0.263 288 E C 0.537 177.191 176.600 0.091 0.000 1.137 288 E CA 0.265 56.722 56.400 0.096 0.000 1.007 288 E CB -0.180 29.586 29.700 0.111 0.000 1.117 288 E HN 0.511 nan 8.360 nan 0.000 0.438 289 T N -1.557 113.044 114.554 0.078 0.000 2.966 289 T HA -0.004 4.346 4.350 0.000 0.000 0.254 289 T C 1.640 176.382 174.700 0.069 0.000 0.961 289 T CA -0.285 61.862 62.100 0.078 0.000 0.915 289 T CB 0.079 68.983 68.868 0.060 0.000 1.186 289 T HN 0.314 nan 8.240 nan 0.000 0.505 290 R N 1.701 122.234 120.500 0.056 0.000 2.115 290 R HA -0.000 4.340 4.340 0.000 0.000 0.230 290 R C 2.375 178.701 176.300 0.043 0.000 1.111 290 R CA 1.867 57.993 56.100 0.043 0.000 0.976 290 R CB -1.263 29.057 30.300 0.034 0.000 0.870 290 R HN 0.350 nan 8.270 nan 0.000 0.445 291 T N 0.029 114.611 114.554 0.048 0.000 3.088 291 T HA 0.139 4.489 4.350 0.000 0.000 0.259 291 T C 1.618 176.349 174.700 0.052 0.000 1.122 291 T CA 0.317 62.440 62.100 0.037 0.000 1.095 291 T CB -0.104 68.778 68.868 0.023 0.000 0.930 291 T HN 0.289 nan 8.240 nan 0.000 0.508 292 L N 0.930 122.209 121.223 0.093 0.000 2.551 292 L HA 0.189 4.529 4.340 0.000 0.000 0.228 292 L C 0.669 177.669 176.870 0.216 0.000 1.153 292 L CA 0.390 55.328 54.840 0.164 0.000 0.851 292 L CB -0.971 41.244 42.059 0.261 0.000 0.959 292 L HN 0.443 nan 8.230 nan 0.000 0.451 293 N N -0.002 118.775 118.700 0.129 0.000 2.714 293 N HA -0.237 4.503 4.740 0.000 0.000 0.252 293 N C 1.089 176.666 175.510 0.112 0.000 1.014 293 N CA -0.178 52.936 53.050 0.106 0.000 0.735 293 N CB -1.164 37.379 38.487 0.092 0.000 0.924 293 N HN 0.365 nan 8.380 nan 0.000 0.540 294 L N 0.295 121.560 121.223 0.070 0.000 2.064 294 L HA -0.307 4.033 4.340 0.000 0.000 0.216 294 L C 2.639 179.446 176.870 -0.105 0.000 1.077 294 L CA 2.434 57.235 54.840 -0.065 0.000 0.766 294 L CB -0.639 41.385 42.059 -0.058 0.000 0.890 294 L HN 0.553 nan 8.230 nan 0.000 0.435 295 E N 0.746 120.919 120.200 -0.045 0.000 2.108 295 E HA -0.314 4.036 4.350 0.000 0.000 0.203 295 E C 1.875 178.447 176.600 -0.047 0.000 1.022 295 E CA 1.834 58.209 56.400 -0.043 0.000 0.823 295 E CB -0.409 29.281 29.700 -0.017 0.000 0.744 295 E HN 0.425 nan 8.360 nan 0.000 0.456 296 K N -0.008 120.381 120.400 -0.017 0.000 2.504 296 K HA 0.078 4.398 4.320 0.000 0.000 0.195 296 K C 1.606 178.189 176.600 -0.028 0.000 1.036 296 K CA 0.722 57.011 56.287 0.003 0.000 0.984 296 K CB 0.155 32.689 32.500 0.056 0.000 0.788 296 K HN 0.313 nan 8.250 nan 0.000 0.488 297 A N -0.277 122.464 122.820 -0.131 0.000 2.288 297 A HA 0.296 4.616 4.320 0.000 0.000 0.216 297 A C 1.305 178.748 177.584 -0.236 0.000 1.199 297 A CA 0.525 52.414 52.037 -0.246 0.000 0.891 297 A CB 0.284 18.884 19.000 -0.666 0.000 0.923 297 A HN 0.283 nan 8.150 nan 0.000 0.500 298 G N -0.274 108.416 108.800 -0.183 0.000 2.143 298 G HA2 -0.219 3.741 3.960 0.000 0.000 0.249 298 G HA3 -0.219 3.741 3.960 0.000 0.000 0.249 298 G C 0.071 174.859 174.900 -0.186 0.000 0.981 298 G CA 0.284 45.288 45.100 -0.159 0.000 0.665 298 G HN 0.480 nan 8.290 nan 0.000 0.528 299 I N 2.715 123.144 120.570 -0.236 0.000 2.379 299 I HA 0.301 4.471 4.170 0.000 0.000 0.290 299 I C 1.130 177.159 176.117 -0.147 0.000 1.063 299 I CA -0.028 61.134 61.300 -0.230 0.000 1.351 299 I CB 0.961 38.764 38.000 -0.328 0.000 1.410 299 I HN 0.315 nan 8.210 nan 0.000 0.505 300 S N 4.023 119.652 115.700 -0.118 0.000 2.584 300 S HA 0.595 5.065 4.470 0.000 0.000 0.273 300 S C 0.081 174.643 174.600 -0.063 0.000 1.311 300 S CA -0.757 57.394 58.200 -0.081 0.000 1.034 300 S CB 1.367 64.524 63.200 -0.072 0.000 0.939 300 S HN 0.693 nan 8.310 nan 0.000 0.513 301 T N -0.882 113.645 114.554 -0.044 0.000 2.893 301 T HA 0.473 4.823 4.350 0.000 0.000 0.291 301 T C -0.668 174.018 174.700 -0.022 0.000 1.028 301 T CA -1.021 61.062 62.100 -0.028 0.000 0.995 301 T CB 1.218 70.077 68.868 -0.016 0.000 1.051 301 T HN 0.597 nan 8.240 nan 0.000 0.470 302 N N 3.480 122.170 118.700 -0.017 0.000 2.420 302 N HA 0.218 4.958 4.740 0.000 0.000 0.262 302 N C -1.187 174.319 175.510 -0.006 0.000 1.144 302 N CA -2.334 50.708 53.050 -0.013 0.000 0.952 302 N CB 1.006 39.486 38.487 -0.012 0.000 1.081 302 N HN 0.347 nan 8.380 nan 0.000 0.480 303 P HA -0.215 nan 4.420 nan 0.000 0.215 303 P C 1.057 178.359 177.300 0.003 0.000 1.157 303 P CA 1.211 64.310 63.100 -0.002 0.000 0.868 303 P CB 0.378 32.075 31.700 -0.005 0.000 0.788 304 K N 0.471 120.873 120.400 0.002 0.000 2.005 304 K HA -0.180 4.140 4.320 0.000 0.000 0.229 304 K C 1.208 177.815 176.600 0.011 0.000 1.050 304 K CA 1.959 58.250 56.287 0.006 0.000 0.994 304 K CB -1.225 31.278 32.500 0.005 0.000 0.736 304 K HN 0.422 nan 8.250 nan 0.000 0.448 305 N N -0.148 118.558 118.700 0.011 0.000 2.447 305 N HA 0.053 4.793 4.740 0.000 0.000 0.271 305 N C -0.252 175.268 175.510 0.016 0.000 1.226 305 N CA -0.257 52.803 53.050 0.017 0.000 0.980 305 N CB 0.362 38.860 38.487 0.019 0.000 1.206 305 N HN -0.007 nan 8.380 nan 0.000 0.558 306 Q N -0.992 118.822 119.800 0.024 0.000 2.286 306 Q HA 0.210 4.550 4.340 0.000 0.000 0.281 306 Q C -0.559 175.455 176.000 0.023 0.000 0.897 306 Q CA -0.215 55.602 55.803 0.022 0.000 1.023 306 Q CB 0.243 28.998 28.738 0.028 0.000 1.151 306 Q HN 0.404 nan 8.270 nan 0.000 0.445 307 K N 0.528 120.938 120.400 0.017 0.000 2.107 307 K HA 0.352 4.672 4.320 0.000 0.000 0.251 307 K C -0.147 176.457 176.600 0.006 0.000 1.012 307 K CA -0.471 55.826 56.287 0.017 0.000 0.920 307 K CB 1.136 33.642 32.500 0.011 0.000 1.033 307 K HN 0.116 nan 8.250 nan 0.000 0.478 308 I N 2.526 123.100 120.570 0.007 0.000 2.342 308 I HA 0.162 4.332 4.170 0.000 0.000 0.291 308 I C 0.104 176.210 176.117 -0.019 0.000 1.010 308 I CA -0.539 60.756 61.300 -0.008 0.000 1.308 308 I CB 0.666 38.669 38.000 0.004 0.000 1.400 308 I HN 0.310 nan 8.210 nan 0.000 0.488 309 I N 7.387 127.936 120.570 -0.034 0.000 2.471 309 I HA 0.189 4.359 4.170 0.000 0.000 0.286 309 I C 0.144 176.234 176.117 -0.044 0.000 1.079 309 I CA -0.266 61.011 61.300 -0.039 0.000 1.398 309 I CB 0.547 38.521 38.000 -0.043 0.000 1.403 309 I HN 0.340 nan 8.210 nan 0.000 0.530 310 V N 1.955 121.848 119.914 -0.035 0.000 3.001 310 V HA 0.676 4.796 4.120 0.000 0.000 0.314 310 V C -0.616 175.467 176.094 -0.019 0.000 1.099 310 V CA -0.922 61.363 62.300 -0.025 0.000 0.989 310 V CB 1.852 33.678 31.823 0.005 0.000 1.040 310 V HN 0.739 nan 8.190 nan 0.000 0.434 311 D N 2.339 122.734 120.400 -0.007 0.000 2.507 311 D HA 0.578 5.218 4.640 0.000 0.000 0.280 311 D C 1.128 177.457 176.300 0.048 0.000 1.219 311 D CA -0.015 53.990 54.000 0.009 0.000 1.085 311 D CB 0.928 41.728 40.800 0.001 0.000 1.134 311 D HN 0.785 nan 8.370 nan 0.000 0.583 312 A N -1.368 121.487 122.820 0.058 0.000 2.119 312 A HA -0.112 4.208 4.320 0.000 0.000 0.217 312 A C 1.660 179.312 177.584 0.112 0.000 1.153 312 A CA 0.922 53.015 52.037 0.093 0.000 0.692 312 A CB -0.602 18.440 19.000 0.071 0.000 0.799 312 A HN 0.531 nan 8.150 nan 0.000 0.458 313 Q N -0.965 118.897 119.800 0.104 0.000 2.282 313 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 313 Q C -0.479 175.643 176.000 0.203 0.000 0.878 313 Q CA 0.310 56.187 55.803 0.124 0.000 0.944 313 Q CB 0.448 29.257 28.738 0.119 0.000 1.100 313 Q HN 0.660 nan 8.270 nan 0.000 0.509 314 E N -1.510 118.802 120.200 0.187 0.000 3.927 314 E HA -0.179 4.171 4.350 0.000 0.000 0.330 314 E C -0.164 176.572 176.600 0.226 0.000 0.751 314 E CA 0.919 57.451 56.400 0.220 0.000 1.254 314 E CB -1.898 27.949 29.700 0.245 0.000 1.643 314 E HN 0.394 nan 8.360 nan 0.000 0.430 315 A N 1.492 124.368 122.820 0.094 0.000 2.454 315 A HA 0.346 4.666 4.320 0.000 0.000 0.260 315 A C 1.028 178.503 177.584 -0.182 0.000 1.106 315 A CA 0.928 52.798 52.037 -0.277 0.000 0.780 315 A CB 0.648 19.443 19.000 -0.342 0.000 1.044 315 A HN 0.213 nan 8.150 nan 0.000 0.498 316 T N 1.172 115.595 114.554 -0.218 0.000 4.339 316 T HA 0.041 4.391 4.350 0.000 0.000 0.431 316 T C 1.811 176.400 174.700 -0.185 0.000 1.117 316 T CA 1.210 63.211 62.100 -0.166 0.000 1.020 316 T CB -0.163 68.606 68.868 -0.166 0.000 1.522 316 T HN 1.147 nan 8.240 nan 0.000 0.494 317 S N -0.780 114.813 115.700 -0.178 0.000 2.503 317 S HA 0.222 4.692 4.470 0.000 0.000 0.215 317 S C 0.426 174.903 174.600 -0.205 0.000 1.003 317 S CA -0.320 57.783 58.200 -0.162 0.000 0.910 317 S CB -0.008 63.114 63.200 -0.130 0.000 0.790 317 S HN 0.407 nan 8.310 nan 0.000 0.514 318 V N 3.947 123.697 119.914 -0.273 0.000 2.385 318 V HA 0.290 4.410 4.120 0.000 0.000 0.269 318 V C -1.633 174.190 176.094 -0.453 0.000 1.043 318 V CA -1.622 60.453 62.300 -0.374 0.000 0.906 318 V CB 0.962 32.528 31.823 -0.429 0.000 0.995 318 V HN 0.128 nan 8.190 nan 0.000 0.467 319 P HA -0.142 nan 4.420 nan 0.000 0.216 319 P C 1.272 178.406 177.300 -0.276 0.000 1.153 319 P CA 1.256 64.172 63.100 -0.307 0.000 0.848 319 P CB -0.060 31.546 31.700 -0.157 0.000 0.787 320 H N -1.856 117.179 119.070 -0.058 0.000 2.553 320 H HA 0.190 4.746 4.556 0.000 0.000 0.269 320 H C 0.314 175.724 175.328 0.135 0.000 1.011 320 H CA 0.084 56.193 56.048 0.101 0.000 1.150 320 H CB -0.520 29.265 29.762 0.037 0.000 1.339 320 H HN 0.169 nan 8.280 nan 0.000 0.604 321 I N 1.384 121.809 120.570 -0.243 0.000 2.498 321 I HA 0.274 4.444 4.170 0.000 0.000 0.290 321 I C -1.183 174.661 176.117 -0.456 0.000 1.032 321 I CA -1.039 60.199 61.300 -0.103 0.000 1.073 321 I CB 1.783 39.728 38.000 -0.092 0.000 1.251 321 I HN -0.074 nan 8.210 nan 0.000 0.426 322 Y N 3.753 124.104 120.300 0.085 0.000 2.536 322 Y HA 0.811 5.361 4.550 0.000 0.000 0.347 322 Y C 0.138 176.078 175.900 0.068 0.000 1.000 322 Y CA -0.999 57.136 58.100 0.059 0.000 1.051 322 Y CB 1.994 40.489 38.460 0.058 0.000 1.259 322 Y HN 0.568 nan 8.280 nan 0.000 0.468 323 A N 2.386 125.319 122.820 0.189 0.000 2.454 323 A HA 0.929 5.249 4.320 0.000 0.000 0.302 323 A C -1.303 176.365 177.584 0.139 0.000 1.079 323 A CA -0.680 51.445 52.037 0.147 0.000 0.731 323 A CB 1.314 20.370 19.000 0.092 0.000 1.299 323 A HN 0.732 nan 8.150 nan 0.000 0.413 324 I N -0.062 120.582 120.570 0.123 0.000 3.102 324 I HA 0.625 4.795 4.170 0.000 0.000 0.310 324 I C 0.737 176.913 176.117 0.100 0.000 1.246 324 I CA 0.252 61.622 61.300 0.117 0.000 0.979 324 I CB 2.464 40.536 38.000 0.119 0.000 1.267 324 I HN 1.410 nan 8.210 nan 0.000 0.451 325 G N 2.918 111.780 108.800 0.103 0.000 2.598 325 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 325 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 325 G C 0.164 175.109 174.900 0.075 0.000 1.302 325 G CA 0.348 45.504 45.100 0.095 0.000 0.903 325 G HN 0.658 nan 8.290 nan 0.000 0.575 326 D N -0.106 120.344 120.400 0.084 0.000 2.292 326 D HA -0.141 4.499 4.640 0.000 0.000 0.205 326 D C 2.607 178.949 176.300 0.069 0.000 0.994 326 D CA 2.215 56.264 54.000 0.081 0.000 0.897 326 D CB -0.345 40.516 40.800 0.102 0.000 0.907 326 D HN 1.091 nan 8.370 nan 0.000 0.467 327 V N -2.513 117.443 119.914 0.071 0.000 3.235 327 V HA 0.306 4.426 4.120 0.000 0.000 0.259 327 V C 0.985 177.106 176.094 0.044 0.000 1.133 327 V CA 0.337 62.676 62.300 0.065 0.000 1.128 327 V CB -0.703 31.166 31.823 0.078 0.000 0.757 327 V HN 0.106 nan 8.190 nan 0.000 0.469 328 A N 0.810 123.649 122.820 0.032 0.000 2.289 328 A HA 0.455 4.775 4.320 0.000 0.000 0.298 328 A C 0.317 177.886 177.584 -0.025 0.000 1.208 328 A CA -0.383 51.658 52.037 0.007 0.000 0.845 328 A CB 0.311 19.316 19.000 0.009 0.000 1.125 328 A HN 0.359 nan 8.150 nan 0.000 0.517 329 E N 1.177 121.360 120.200 -0.029 0.000 2.413 329 E HA 0.254 4.604 4.350 0.000 0.000 0.263 329 E C 1.222 177.774 176.600 -0.080 0.000 1.015 329 E CA 1.574 57.949 56.400 -0.041 0.000 0.916 329 E CB 0.573 30.253 29.700 -0.033 0.000 0.947 329 E HN 1.467 nan 8.360 nan 0.000 0.440 330 G N 3.852 112.602 108.800 -0.082 0.000 2.160 330 G HA2 -0.231 3.729 3.960 0.000 0.000 0.251 330 G HA3 -0.231 3.729 3.960 0.000 0.000 0.251 330 G C 0.012 174.787 174.900 -0.208 0.000 1.008 330 G CA 0.173 45.203 45.100 -0.116 0.000 0.724 330 G HN 0.328 nan 8.290 nan 0.000 0.514 331 R N -0.209 120.170 120.500 -0.201 0.000 2.670 331 R HA 0.561 4.901 4.340 0.000 0.000 0.289 331 R C -2.506 173.717 176.300 -0.128 0.000 0.965 331 R CA -2.491 53.422 56.100 -0.311 0.000 0.899 331 R CB 0.700 30.812 30.300 -0.313 0.000 1.173 331 R HN 0.058 nan 8.270 nan 0.000 0.456 332 P HA 0.040 nan 4.420 nan 0.000 0.265 332 P C -0.639 176.690 177.300 0.048 0.000 1.193 332 P CA 0.066 63.173 63.100 0.012 0.000 0.765 332 P CB 0.507 32.245 31.700 0.062 0.000 0.823 333 E N 2.549 122.793 120.200 0.073 0.000 1.964 333 E HA 0.272 4.622 4.350 0.000 0.000 0.264 333 E C -0.487 176.189 176.600 0.126 0.000 1.120 333 E CA -0.070 56.396 56.400 0.110 0.000 1.061 333 E CB -0.235 29.552 29.700 0.145 0.000 1.190 333 E HN 0.335 nan 8.360 nan 0.000 0.459 334 L N 0.362 121.648 121.223 0.106 0.000 2.393 334 L HA 0.305 4.645 4.340 0.000 0.000 0.260 334 L C 1.169 178.095 176.870 0.094 0.000 1.002 334 L CA -0.622 54.273 54.840 0.092 0.000 0.818 334 L CB 2.070 44.168 42.059 0.065 0.000 1.369 334 L HN 0.156 nan 8.230 nan 0.000 0.412 335 T N 0.623 115.228 114.554 0.085 0.000 2.732 335 T HA -0.016 4.334 4.350 0.000 0.000 0.261 335 T C -1.170 173.568 174.700 0.064 0.000 1.040 335 T CA 1.521 63.666 62.100 0.075 0.000 1.145 335 T CB -0.429 68.480 68.868 0.068 0.000 0.866 335 T HN 0.452 nan 8.240 nan 0.000 0.427 336 P HA -0.082 nan 4.420 nan 0.000 0.218 336 P C 1.688 179.011 177.300 0.039 0.000 1.148 336 P CA 1.363 64.486 63.100 0.039 0.000 0.822 336 P CB -0.436 31.280 31.700 0.027 0.000 0.784 337 T N -2.848 111.746 114.554 0.067 0.000 2.867 337 T HA -0.010 4.340 4.350 0.000 0.000 0.268 337 T C 1.921 176.695 174.700 0.123 0.000 1.057 337 T CA 1.143 63.302 62.100 0.098 0.000 1.136 337 T CB -1.044 67.955 68.868 0.218 0.000 0.874 337 T HN 0.010 nan 8.240 nan 0.000 0.466 338 A N 1.331 124.219 122.820 0.114 0.000 1.930 338 A HA 0.246 4.566 4.320 0.000 0.000 0.215 338 A C 2.350 179.975 177.584 0.068 0.000 1.176 338 A CA 0.737 52.838 52.037 0.107 0.000 0.632 338 A CB -0.693 18.364 19.000 0.095 0.000 0.819 338 A HN 0.525 nan 8.150 nan 0.000 0.445 339 I N -0.465 120.134 120.570 0.049 0.000 2.142 339 I HA -0.276 3.894 4.170 0.000 0.000 0.240 339 I C 2.601 178.724 176.117 0.011 0.000 1.078 339 I CA 1.925 63.242 61.300 0.028 0.000 1.343 339 I CB -0.261 37.755 38.000 0.026 0.000 1.046 339 I HN 0.347 nan 8.210 nan 0.000 0.405 340 K N 1.028 121.427 120.400 -0.002 0.000 2.057 340 K HA -0.186 4.134 4.320 0.000 0.000 0.207 340 K C 2.197 178.771 176.600 -0.043 0.000 1.049 340 K CA 1.460 57.727 56.287 -0.034 0.000 0.931 340 K CB -0.107 32.355 32.500 -0.064 0.000 0.714 340 K HN 0.304 nan 8.250 nan 0.000 0.440 341 A N 0.757 123.564 122.820 -0.022 0.000 1.908 341 A HA -0.107 4.213 4.320 0.000 0.000 0.218 341 A C 2.333 179.922 177.584 0.008 0.000 1.181 341 A CA 2.009 54.049 52.037 0.005 0.000 0.627 341 A CB -1.239 17.836 19.000 0.126 0.000 0.818 341 A HN 0.546 nan 8.150 nan 0.000 0.445 342 G N -0.426 108.385 108.800 0.017 0.000 2.421 342 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 342 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 342 G C 1.690 176.581 174.900 -0.016 0.000 1.171 342 G CA 1.218 46.321 45.100 0.005 0.000 0.775 342 G HN 0.564 nan 8.290 nan 0.000 0.543 343 K N -0.185 120.206 120.400 -0.015 0.000 2.009 343 K HA 0.054 4.374 4.320 0.000 0.000 0.210 343 K C 2.507 179.084 176.600 -0.039 0.000 1.049 343 K CA 0.974 57.249 56.287 -0.020 0.000 0.929 343 K CB -0.327 32.162 32.500 -0.018 0.000 0.714 343 K HN 0.242 nan 8.250 nan 0.000 0.440 344 L N 0.575 121.767 121.223 -0.051 0.000 2.141 344 L HA -0.162 4.178 4.340 0.000 0.000 0.209 344 L C 2.289 179.105 176.870 -0.091 0.000 1.094 344 L CA 0.313 55.115 54.840 -0.065 0.000 0.763 344 L CB -0.304 41.712 42.059 -0.071 0.000 0.908 344 L HN 0.201 nan 8.230 nan 0.000 0.437 345 L N 0.201 121.362 121.223 -0.104 0.000 2.027 345 L HA -0.073 4.267 4.340 0.000 0.000 0.206 345 L C 2.663 179.375 176.870 -0.264 0.000 1.074 345 L CA 1.977 56.700 54.840 -0.194 0.000 0.745 345 L CB -0.864 41.078 42.059 -0.196 0.000 0.898 345 L HN 0.116 nan 8.230 nan 0.000 0.433 346 A N -0.874 121.852 122.820 -0.157 0.000 1.917 346 A HA -0.312 4.008 4.320 0.000 0.000 0.219 346 A C 2.209 179.740 177.584 -0.089 0.000 1.182 346 A CA 2.248 54.238 52.037 -0.079 0.000 0.633 346 A CB -0.654 18.376 19.000 0.051 0.000 0.819 346 A HN 0.706 nan 8.150 nan 0.000 0.448 347 Q N -1.498 118.254 119.800 -0.080 0.000 2.245 347 Q HA 0.008 4.348 4.340 0.000 0.000 0.201 347 Q C 2.317 178.260 176.000 -0.095 0.000 0.955 347 Q CA 0.814 56.584 55.803 -0.054 0.000 0.870 347 Q CB -0.011 28.705 28.738 -0.037 0.000 0.945 347 Q HN 0.616 nan 8.270 nan 0.000 0.461 348 R N 0.044 120.453 120.500 -0.152 0.000 2.093 348 R HA 0.008 4.348 4.340 0.000 0.000 0.224 348 R C 2.089 178.241 176.300 -0.248 0.000 1.101 348 R CA 0.743 56.748 56.100 -0.159 0.000 0.979 348 R CB 0.041 30.252 30.300 -0.147 0.000 0.877 348 R HN 0.222 nan 8.270 nan 0.000 0.441 349 L N -1.015 119.928 121.223 -0.467 0.000 2.044 349 L HA -0.054 4.286 4.340 0.000 0.000 0.205 349 L C 1.086 177.533 176.870 -0.704 0.000 1.075 349 L CA 1.384 55.723 54.840 -0.835 0.000 0.747 349 L CB 0.037 41.150 42.059 -1.577 0.000 0.903 349 L HN 0.168 nan 8.230 nan 0.000 0.435 350 F N -2.209 117.673 119.950 -0.114 0.000 2.724 350 F HA 0.323 4.850 4.527 0.000 0.000 0.310 350 F C 1.339 177.115 175.800 -0.041 0.000 1.107 350 F CA -0.109 57.851 58.000 -0.068 0.000 1.218 350 F CB 0.755 39.718 39.000 -0.062 0.000 1.042 350 F HN -0.062 nan 8.300 nan 0.000 0.540 351 G N -0.458 108.382 108.800 0.066 0.000 3.815 351 G HA2 0.124 4.084 3.960 0.000 0.000 0.265 351 G HA3 0.124 4.084 3.960 0.000 0.000 0.265 351 G C 0.694 175.603 174.900 0.015 0.000 1.026 351 G CA -0.305 44.822 45.100 0.046 0.000 0.868 351 G HN 0.036 nan 8.290 nan 0.000 0.476 352 K N 0.058 120.461 120.400 0.004 0.000 3.341 352 K HA -0.196 4.124 4.320 0.000 0.000 0.305 352 K C 0.549 177.142 176.600 -0.012 0.000 1.270 352 K CA 0.946 57.232 56.287 -0.001 0.000 0.897 352 K CB -2.015 30.491 32.500 0.010 0.000 1.264 352 K HN 0.572 nan 8.250 nan 0.000 0.468 353 S N 0.670 116.356 115.700 -0.024 0.000 2.586 353 S HA 0.372 4.842 4.470 0.000 0.000 0.274 353 S C 1.070 175.651 174.600 -0.031 0.000 1.281 353 S CA 0.206 58.390 58.200 -0.027 0.000 1.035 353 S CB 1.431 64.611 63.200 -0.034 0.000 0.962 353 S HN 0.320 nan 8.310 nan 0.000 0.512 354 S N 1.957 117.643 115.700 -0.023 0.000 2.578 354 S HA 0.194 4.664 4.470 0.000 0.000 0.231 354 S C 0.164 174.751 174.600 -0.022 0.000 0.994 354 S CA -0.490 57.699 58.200 -0.020 0.000 0.956 354 S CB -0.317 62.876 63.200 -0.011 0.000 0.870 354 S HN 0.665 nan 8.310 nan 0.000 0.494 355 T N 4.086 118.622 114.554 -0.029 0.000 2.769 355 T HA 0.350 4.700 4.350 0.000 0.000 0.293 355 T C 0.113 174.789 174.700 -0.039 0.000 0.931 355 T CA -0.136 61.943 62.100 -0.034 0.000 1.139 355 T CB 0.198 69.043 68.868 -0.039 0.000 0.881 355 T HN 0.320 nan 8.240 nan 0.000 0.532 356 L N 3.074 124.277 121.223 -0.033 0.000 2.418 356 L HA 0.462 4.802 4.340 0.000 0.000 0.265 356 L C 0.658 177.482 176.870 -0.078 0.000 1.143 356 L CA -1.095 53.726 54.840 -0.031 0.000 0.809 356 L CB 0.559 42.617 42.059 -0.001 0.000 1.124 356 L HN 0.528 nan 8.230 nan 0.000 0.456 357 M N 2.315 121.846 119.600 -0.115 0.000 2.228 357 M HA 0.096 4.576 4.480 0.000 0.000 0.351 357 M C -0.530 175.556 176.300 -0.357 0.000 1.233 357 M CA 0.206 55.329 55.300 -0.295 0.000 1.129 357 M CB 0.328 32.656 32.600 -0.454 0.000 1.604 357 M HN 0.335 nan 8.290 nan 0.000 0.457 358 D N 3.738 123.923 120.400 -0.358 0.000 2.392 358 D HA 0.160 4.800 4.640 0.000 0.000 0.228 358 D C -0.805 175.326 176.300 -0.282 0.000 1.074 358 D CA 0.038 53.903 54.000 -0.224 0.000 0.838 358 D CB 0.220 40.954 40.800 -0.109 0.000 1.067 358 D HN 0.675 nan 8.370 nan 0.000 0.511 359 Y N 1.216 121.514 120.300 -0.003 0.000 2.461 359 Y HA 0.081 4.631 4.550 0.000 0.000 0.277 359 Y C 1.288 177.182 175.900 -0.010 0.000 1.182 359 Y CA -0.385 57.712 58.100 -0.005 0.000 1.276 359 Y CB 0.308 38.767 38.460 -0.002 0.000 1.087 359 Y HN 0.248 nan 8.280 nan 0.000 0.519 360 S N 0.196 115.952 115.700 0.094 0.000 2.562 360 S HA 0.152 4.622 4.470 0.000 0.000 0.275 360 S C 0.389 175.007 174.600 0.030 0.000 1.281 360 S CA -0.766 57.470 58.200 0.060 0.000 1.045 360 S CB 0.573 63.800 63.200 0.045 0.000 0.962 360 S HN 0.472 nan 8.310 nan 0.000 0.503 361 N N -0.081 118.632 118.700 0.022 0.000 2.721 361 N HA -0.125 4.615 4.740 0.000 0.000 0.249 361 N C -0.585 174.922 175.510 -0.005 0.000 1.072 361 N CA 0.708 53.761 53.050 0.005 0.000 0.710 361 N CB -1.746 36.745 38.487 0.007 0.000 0.993 361 N HN 0.584 nan 8.380 nan 0.000 0.547 362 V N 1.645 121.560 119.914 0.002 0.000 2.529 362 V HA 0.160 4.280 4.120 0.000 0.000 0.292 362 V C -1.170 174.903 176.094 -0.034 0.000 1.028 362 V CA -0.677 61.620 62.300 -0.006 0.000 1.074 362 V CB 0.738 32.574 31.823 0.022 0.000 0.958 362 V HN 0.130 nan 8.190 nan 0.000 0.481 363 P HA 0.445 nan 4.420 nan 0.000 0.282 363 P C -0.488 176.768 177.300 -0.073 0.000 1.249 363 P CA -0.183 62.879 63.100 -0.064 0.000 0.806 363 P CB 1.352 33.023 31.700 -0.048 0.000 0.984 364 T N -1.868 112.617 114.554 -0.115 0.000 2.838 364 T HA 0.696 5.046 4.350 0.000 0.000 0.292 364 T C -0.698 173.866 174.700 -0.228 0.000 1.113 364 T CA -0.652 61.366 62.100 -0.138 0.000 1.008 364 T CB 1.313 70.108 68.868 -0.122 0.000 1.259 364 T HN 0.311 nan 8.240 nan 0.000 0.520 365 T N 1.073 115.432 114.554 -0.326 0.000 2.971 365 T HA 0.533 4.883 4.350 0.000 0.000 0.304 365 T C -0.816 173.465 174.700 -0.698 0.000 1.038 365 T CA -0.675 61.079 62.100 -0.578 0.000 1.007 365 T CB 1.654 70.070 68.868 -0.753 0.000 1.055 365 T HN 0.915 nan 8.240 nan 0.000 0.451 366 V N 4.532 124.114 119.914 -0.553 0.000 2.406 366 V HA 0.505 4.625 4.120 0.000 0.000 0.272 366 V C -0.620 175.251 176.094 -0.370 0.000 1.043 366 V CA -0.338 61.741 62.300 -0.369 0.000 0.915 366 V CB -0.207 31.482 31.823 -0.222 0.000 0.988 366 V HN 0.870 nan 8.190 nan 0.000 0.466 367 F N 5.282 125.176 119.950 -0.093 0.000 2.954 367 F HA 0.249 4.776 4.527 0.000 0.000 0.300 367 F C 1.560 177.153 175.800 -0.344 0.000 1.206 367 F CA -0.239 57.573 58.000 -0.313 0.000 1.345 367 F CB -0.303 38.425 39.000 -0.452 0.000 1.206 367 F HN 0.699 nan 8.300 nan 0.000 0.537 368 T N -2.219 112.351 114.554 0.026 0.000 2.748 368 T HA 0.047 4.397 4.350 0.000 0.000 0.304 368 T C -1.465 173.370 174.700 0.226 0.000 1.041 368 T CA -1.393 60.775 62.100 0.112 0.000 1.033 368 T CB 0.626 69.555 68.868 0.103 0.000 0.995 368 T HN -0.027 nan 8.240 nan 0.000 0.536 369 P HA -0.046 nan 4.420 nan 0.000 0.216 369 P C 0.347 177.731 177.300 0.139 0.000 1.157 369 P CA 0.693 63.963 63.100 0.283 0.000 0.880 369 P CB -0.040 31.829 31.700 0.282 0.000 0.791 370 L N 0.009 121.157 121.223 -0.125 0.000 2.282 370 L HA 0.239 4.579 4.340 0.000 0.000 0.288 370 L C 0.053 176.924 176.870 0.002 0.000 1.033 370 L CA -0.591 54.119 54.840 -0.217 0.000 0.807 370 L CB 0.482 42.117 42.059 -0.706 0.000 1.209 370 L HN -0.125 nan 8.230 nan 0.000 0.423 371 E N 3.586 123.852 120.200 0.111 0.000 2.343 371 E HA 0.151 4.501 4.350 0.000 0.000 0.269 371 E C -1.559 175.136 176.600 0.158 0.000 1.047 371 E CA -0.272 56.196 56.400 0.113 0.000 0.874 371 E CB 1.127 30.919 29.700 0.152 0.000 1.033 371 E HN 0.443 nan 8.360 nan 0.000 0.409 372 Y N 1.260 121.516 120.300 -0.074 0.000 2.338 372 Y HA 0.486 5.036 4.550 0.000 0.000 0.328 372 Y C -0.487 175.396 175.900 -0.028 0.000 0.965 372 Y CA -1.290 56.800 58.100 -0.016 0.000 1.208 372 Y CB 1.060 39.498 38.460 -0.036 0.000 1.132 372 Y HN 0.501 nan 8.280 nan 0.000 0.469 373 G N 4.166 112.962 108.800 -0.007 0.000 2.379 373 G HA2 0.593 4.553 3.960 0.000 0.000 0.327 373 G HA3 0.593 4.553 3.960 0.000 0.000 0.327 373 G C -1.128 173.645 174.900 -0.211 0.000 1.145 373 G CA -0.379 44.617 45.100 -0.172 0.000 0.905 373 G HN 1.085 nan 8.290 nan 0.000 0.466 374 C N -0.163 118.952 119.300 -0.309 0.000 3.239 374 C HA 0.872 5.332 4.460 0.000 0.000 0.317 374 C C -0.890 173.964 174.990 -0.226 0.000 1.310 374 C CA -1.108 57.737 59.018 -0.288 0.000 1.371 374 C CB 1.262 28.825 27.740 -0.295 0.000 1.714 374 C HN 1.048 nan 8.230 nan 0.000 0.473 375 V N 2.301 122.062 119.914 -0.255 0.000 2.924 375 V HA 0.829 4.949 4.120 0.000 0.000 0.300 375 V C 0.419 176.427 176.094 -0.143 0.000 1.227 375 V CA 1.892 64.102 62.300 -0.150 0.000 0.954 375 V CB 1.547 33.325 31.823 -0.075 0.000 1.055 375 V HN 2.992 nan 8.190 nan 0.000 0.429 376 G N 4.882 113.640 108.800 -0.070 0.000 2.527 376 G HA2 -0.140 3.820 3.960 0.000 0.000 0.227 376 G HA3 -0.140 3.820 3.960 0.000 0.000 0.227 376 G C -0.682 174.233 174.900 0.025 0.000 1.291 376 G CA -0.155 44.935 45.100 -0.016 0.000 0.904 376 G HN 1.241 nan 8.290 nan 0.000 0.577 377 L N 1.300 122.576 121.223 0.088 0.000 2.395 377 L HA 0.507 4.847 4.340 0.000 0.000 0.269 377 L C 1.646 178.696 176.870 0.300 0.000 1.133 377 L CA -0.016 54.910 54.840 0.143 0.000 0.812 377 L CB 1.373 43.513 42.059 0.134 0.000 1.125 377 L HN 1.010 nan 8.230 nan 0.000 0.452 378 S N 0.459 116.310 115.700 0.251 0.000 2.576 378 S HA -0.021 4.449 4.470 0.000 0.000 0.272 378 S C 0.931 175.577 174.600 0.076 0.000 1.352 378 S CA -0.289 58.014 58.200 0.172 0.000 1.021 378 S CB 1.108 64.369 63.200 0.102 0.000 0.887 378 S HN 0.795 nan 8.310 nan 0.000 0.542 379 E N 1.323 121.495 120.200 -0.047 0.000 2.058 379 E HA -0.259 4.091 4.350 0.000 0.000 0.194 379 E C 2.040 178.641 176.600 0.003 0.000 0.997 379 E CA 1.690 58.077 56.400 -0.021 0.000 0.801 379 E CB -0.237 29.421 29.700 -0.070 0.000 0.746 379 E HN 0.876 nan 8.360 nan 0.000 0.450 380 E N 0.839 121.037 120.200 -0.003 0.000 2.097 380 E HA -0.271 4.079 4.350 0.000 0.000 0.196 380 E C 1.726 178.342 176.600 0.026 0.000 1.000 380 E CA 1.686 58.092 56.400 0.010 0.000 0.804 380 E CB -0.538 29.167 29.700 0.008 0.000 0.740 380 E HN 0.509 nan 8.360 nan 0.000 0.454 381 E N 1.239 121.462 120.200 0.039 0.000 2.150 381 E HA -0.049 4.301 4.350 0.000 0.000 0.193 381 E C 2.187 178.822 176.600 0.059 0.000 0.985 381 E CA 1.018 57.442 56.400 0.040 0.000 0.814 381 E CB -0.183 29.544 29.700 0.044 0.000 0.752 381 E HN 0.422 nan 8.360 nan 0.000 0.466 382 A N 1.412 124.289 122.820 0.095 0.000 1.858 382 A HA -0.156 4.164 4.320 0.000 0.000 0.216 382 A C 2.512 180.191 177.584 0.159 0.000 1.190 382 A CA 1.634 53.772 52.037 0.169 0.000 0.617 382 A CB -0.929 18.156 19.000 0.142 0.000 0.827 382 A HN 0.242 nan 8.150 nan 0.000 0.443 383 V N -0.754 119.211 119.914 0.084 0.000 2.427 383 V HA -0.030 4.090 4.120 0.000 0.000 0.248 383 V C 2.530 178.653 176.094 0.049 0.000 1.051 383 V CA 2.119 64.460 62.300 0.068 0.000 1.048 383 V CB -0.994 30.846 31.823 0.028 0.000 0.666 383 V HN 0.605 nan 8.190 nan 0.000 0.456 384 A N 0.305 123.141 122.820 0.026 0.000 1.917 384 A HA -0.173 4.147 4.320 0.000 0.000 0.219 384 A C 2.097 179.660 177.584 -0.034 0.000 1.182 384 A CA 2.435 54.473 52.037 0.001 0.000 0.633 384 A CB -0.761 18.237 19.000 -0.003 0.000 0.819 384 A HN 0.558 nan 8.150 nan 0.000 0.448 385 L N -1.601 119.577 121.223 -0.075 0.000 2.240 385 L HA -0.002 4.338 4.340 0.000 0.000 0.211 385 L C 1.918 178.546 176.870 -0.404 0.000 1.106 385 L CA 1.557 56.240 54.840 -0.261 0.000 0.793 385 L CB -0.597 41.234 42.059 -0.380 0.000 0.927 385 L HN 0.548 nan 8.230 nan 0.000 0.446 386 H N -2.243 116.845 119.070 0.030 0.000 3.583 386 H HA 0.471 5.027 4.556 0.000 0.000 0.251 386 H C 0.799 176.193 175.328 0.110 0.000 1.060 386 H CA 0.639 56.714 56.048 0.044 0.000 1.159 386 H CB 0.968 30.759 29.762 0.049 0.000 1.496 386 H HN 0.087 nan 8.280 nan 0.000 0.540 387 G N 1.748 110.662 108.800 0.190 0.000 2.788 387 G HA2 -0.224 3.736 3.960 0.000 0.000 0.686 387 G HA3 -0.224 3.736 3.960 0.000 0.000 0.686 387 G C 0.383 175.343 174.900 0.100 0.000 1.147 387 G CA 0.134 45.322 45.100 0.146 0.000 0.755 387 G HN 0.298 nan 8.290 nan 0.000 0.634 388 Q N 0.282 120.098 119.800 0.027 0.000 2.135 388 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 388 Q C 2.351 178.315 176.000 -0.061 0.000 0.981 388 Q CA 2.402 58.195 55.803 -0.017 0.000 0.856 388 Q CB -0.069 28.650 28.738 -0.032 0.000 0.902 388 Q HN 0.889 nan 8.270 nan 0.000 0.425 389 E N -1.637 118.492 120.200 -0.119 0.000 2.427 389 E HA -0.163 4.187 4.350 0.000 0.000 0.196 389 E C 0.420 176.810 176.600 -0.349 0.000 1.028 389 E CA 0.910 57.166 56.400 -0.239 0.000 0.864 389 E CB -0.041 29.482 29.700 -0.296 0.000 0.813 389 E HN 0.576 nan 8.360 nan 0.000 0.514 390 H N -0.262 118.807 119.070 -0.002 0.000 2.592 390 H HA 0.337 4.893 4.556 0.000 0.000 0.279 390 H C -0.859 174.446 175.328 -0.038 0.000 1.089 390 H CA -0.463 55.581 56.048 -0.005 0.000 1.150 390 H CB 1.182 30.963 29.762 0.032 0.000 1.575 390 H HN -0.064 nan 8.280 nan 0.000 0.547 391 V N 0.775 120.702 119.914 0.022 0.000 2.680 391 V HA 0.270 4.390 4.120 0.000 0.000 0.309 391 V C -0.479 175.553 176.094 -0.103 0.000 1.052 391 V CA -0.817 61.464 62.300 -0.033 0.000 0.908 391 V CB 2.469 34.286 31.823 -0.010 0.000 1.001 391 V HN 0.243 nan 8.190 nan 0.000 0.431 392 E N 2.738 122.847 120.200 -0.152 0.000 2.248 392 E HA 0.711 5.061 4.350 0.000 0.000 0.267 392 E C -1.720 174.637 176.600 -0.404 0.000 0.877 392 E CA -0.392 55.826 56.400 -0.302 0.000 0.759 392 E CB 2.148 31.657 29.700 -0.318 0.000 1.182 392 E HN 0.391 nan 8.360 nan 0.000 0.418 393 V N 4.738 124.332 119.914 -0.533 0.000 2.487 393 V HA 0.398 4.518 4.120 0.000 0.000 0.298 393 V C -1.082 174.610 176.094 -0.671 0.000 1.028 393 V CA -0.753 61.270 62.300 -0.461 0.000 0.860 393 V CB 0.981 32.626 31.823 -0.296 0.000 0.991 393 V HN 0.651 nan 8.190 nan 0.000 0.427 394 Y N 4.330 124.515 120.300 -0.191 0.000 2.330 394 Y HA 0.671 5.221 4.550 0.000 0.000 0.336 394 Y C 0.586 176.454 175.900 -0.053 0.000 1.036 394 Y CA -0.365 57.646 58.100 -0.148 0.000 1.125 394 Y CB 1.344 39.678 38.460 -0.210 0.000 1.194 394 Y HN 0.861 nan 8.280 nan 0.000 0.469 395 H N 0.289 119.329 119.070 -0.051 0.000 2.985 395 H HA 0.988 5.544 4.556 0.000 0.000 0.360 395 H C -1.737 173.491 175.328 -0.167 0.000 1.221 395 H CA -1.639 54.286 56.048 -0.205 0.000 1.121 395 H CB 2.132 31.777 29.762 -0.194 0.000 1.854 395 H HN 0.716 nan 8.280 nan 0.000 0.551 396 A N 1.373 123.973 122.820 -0.366 0.000 2.555 396 A HA 0.415 4.735 4.320 0.000 0.000 0.297 396 A C -2.138 175.317 177.584 -0.215 0.000 1.060 396 A CA -0.765 51.145 52.037 -0.212 0.000 0.710 396 A CB 0.754 19.717 19.000 -0.062 0.000 1.282 396 A HN 0.564 nan 8.150 nan 0.000 0.399 397 Y N 0.856 121.211 120.300 0.090 0.000 2.301 397 Y HA 0.590 5.140 4.550 0.000 0.000 0.325 397 Y C 0.289 176.269 175.900 0.133 0.000 1.203 397 Y CA 0.616 58.794 58.100 0.129 0.000 1.255 397 Y CB 1.217 39.714 38.460 0.062 0.000 1.232 397 Y HN 0.775 nan 8.280 nan 0.000 0.501 398 Y N -1.045 119.325 120.300 0.117 0.000 2.638 398 Y HA 0.643 5.193 4.550 0.000 0.000 0.335 398 Y C -1.698 174.215 175.900 0.022 0.000 1.155 398 Y CA -1.812 56.315 58.100 0.045 0.000 1.046 398 Y CB 1.581 40.038 38.460 -0.004 0.000 1.303 398 Y HN 0.455 nan 8.280 nan 0.000 0.460 399 K N 2.981 123.346 120.400 -0.058 0.000 2.413 399 K HA 0.548 4.868 4.320 0.000 0.000 0.257 399 K C -3.005 173.557 176.600 -0.063 0.000 0.946 399 K CA -2.089 54.106 56.287 -0.154 0.000 0.823 399 K CB 1.585 34.081 32.500 -0.005 0.000 1.109 399 K HN 0.492 nan 8.250 nan 0.000 0.427 400 P HA -0.090 nan 4.420 nan 0.000 0.262 400 P C 0.550 177.855 177.300 0.009 0.000 1.182 400 P CA -0.239 62.753 63.100 -0.179 0.000 0.761 400 P CB 0.532 31.824 31.700 -0.679 0.000 0.795 401 L N 4.293 125.567 121.223 0.085 0.000 2.081 401 L HA -0.236 4.104 4.340 0.000 0.000 0.212 401 L C 1.689 178.679 176.870 0.199 0.000 1.080 401 L CA 2.097 57.008 54.840 0.119 0.000 0.754 401 L CB -0.946 41.162 42.059 0.081 0.000 0.893 401 L HN 0.319 nan 8.230 nan 0.000 0.433 402 E N -1.240 119.108 120.200 0.247 0.000 2.204 402 E HA -0.155 4.195 4.350 0.000 0.000 0.194 402 E C 1.885 178.785 176.600 0.500 0.000 0.989 402 E CA 0.985 57.606 56.400 0.368 0.000 0.824 402 E CB -0.284 29.595 29.700 0.297 0.000 0.756 402 E HN 0.432 nan 8.360 nan 0.000 0.477 403 F N 0.658 120.683 119.950 0.125 0.000 2.451 403 F HA -0.100 4.428 4.527 0.000 0.000 0.299 403 F C 2.342 178.166 175.800 0.040 0.000 1.101 403 F CA 1.319 59.366 58.000 0.079 0.000 1.436 403 F CB -1.287 37.743 39.000 0.049 0.000 1.074 403 F HN 0.097 nan 8.300 nan 0.000 0.553 404 T N -2.851 111.842 114.554 0.231 0.000 2.668 404 T HA -0.107 4.243 4.350 0.000 0.000 0.258 404 T C 2.112 176.815 174.700 0.004 0.000 1.051 404 T CA 1.380 63.541 62.100 0.103 0.000 1.155 404 T CB -1.076 67.842 68.868 0.084 0.000 0.864 404 T HN 0.048 nan 8.240 nan 0.000 0.413 405 V N 2.250 122.146 119.914 -0.030 0.000 2.490 405 V HA 0.007 4.127 4.120 0.000 0.000 0.250 405 V C 3.076 178.986 176.094 -0.306 0.000 1.061 405 V CA 1.521 63.679 62.300 -0.237 0.000 1.064 405 V CB -1.238 30.259 31.823 -0.543 0.000 0.670 405 V HN 0.735 nan 8.190 nan 0.000 0.461 406 A N -0.994 121.746 122.820 -0.132 0.000 2.208 406 A HA -0.005 4.315 4.320 0.000 0.000 0.209 406 A C 1.169 178.433 177.584 -0.533 0.000 1.161 406 A CA 0.838 52.751 52.037 -0.206 0.000 0.782 406 A CB -0.407 18.660 19.000 0.112 0.000 0.816 406 A HN 0.589 nan 8.150 nan 0.000 0.477 407 D N -0.653 119.537 120.400 -0.351 0.000 2.708 407 D HA -0.176 4.464 4.640 0.000 0.000 0.236 407 D C 0.242 176.460 176.300 -0.137 0.000 1.146 407 D CA 1.284 55.142 54.000 -0.235 0.000 0.662 407 D CB -1.238 39.377 40.800 -0.307 0.000 1.059 407 D HN 0.840 nan 8.370 nan 0.000 0.428 408 R N -0.541 119.892 120.500 -0.112 0.000 2.598 408 R HA 0.577 4.917 4.340 0.000 0.000 0.279 408 R C -0.257 176.070 176.300 0.045 0.000 0.984 408 R CA -0.993 55.023 56.100 -0.140 0.000 0.999 408 R CB 0.964 30.988 30.300 -0.460 0.000 1.114 408 R HN 0.014 nan 8.270 nan 0.000 0.493 409 D N 1.560 122.015 120.400 0.090 0.000 2.371 409 D HA 0.126 4.766 4.640 0.000 0.000 0.256 409 D C 0.154 176.644 176.300 0.317 0.000 1.193 409 D CA -0.010 54.101 54.000 0.185 0.000 0.881 409 D CB 1.247 42.172 40.800 0.207 0.000 1.143 409 D HN 0.660 nan 8.370 nan 0.000 0.473 410 A N 3.200 126.179 122.820 0.265 0.000 2.387 410 A HA 0.201 4.521 4.320 0.000 0.000 0.234 410 A C 0.872 178.517 177.584 0.101 0.000 1.253 410 A CA -0.403 51.740 52.037 0.177 0.000 0.894 410 A CB -0.084 18.931 19.000 0.027 0.000 0.963 410 A HN 0.493 nan 8.150 nan 0.000 0.508 411 S N 0.251 116.021 115.700 0.117 0.000 2.559 411 S HA 0.165 4.635 4.470 0.000 0.000 0.282 411 S C 0.864 175.561 174.600 0.163 0.000 1.336 411 S CA 0.711 58.954 58.200 0.071 0.000 1.037 411 S CB 0.465 63.688 63.200 0.039 0.000 0.853 411 S HN 0.608 nan 8.310 nan 0.000 0.523 412 Q N -1.885 118.062 119.800 0.245 0.000 2.261 412 Q HA -0.215 4.125 4.340 0.000 0.000 0.155 412 Q C -0.011 176.051 176.000 0.104 0.000 0.598 412 Q CA 1.525 57.458 55.803 0.216 0.000 1.376 412 Q CB -2.010 26.845 28.738 0.196 0.000 1.356 412 Q HN 0.710 nan 8.270 nan 0.000 0.947 413 C N 1.872 121.173 119.300 0.001 0.000 2.492 413 C HA 0.452 4.912 4.460 0.000 0.000 0.362 413 C C -0.118 174.748 174.990 -0.207 0.000 1.207 413 C CA -0.217 58.602 59.018 -0.332 0.000 1.626 413 C CB -1.667 25.541 27.740 -0.887 0.000 2.239 413 C HN 0.287 nan 8.230 nan 0.000 0.547 414 Y N 3.578 123.729 120.300 -0.249 0.000 2.504 414 Y HA 0.755 5.305 4.550 0.000 0.000 0.344 414 Y C -0.875 174.904 175.900 -0.201 0.000 1.023 414 Y CA -1.311 56.561 58.100 -0.382 0.000 1.020 414 Y CB 0.889 38.984 38.460 -0.608 0.000 1.282 414 Y HN 0.556 nan 8.280 nan 0.000 0.454 415 I N 6.058 126.200 120.570 -0.713 0.000 2.545 415 I HA 0.480 4.650 4.170 0.000 0.000 0.292 415 I C -1.374 174.304 176.117 -0.732 0.000 1.040 415 I CA -1.028 59.965 61.300 -0.512 0.000 1.068 415 I CB 2.246 40.075 38.000 -0.285 0.000 1.251 415 I HN 0.617 nan 8.210 nan 0.000 0.424 416 K N 6.170 126.354 120.400 -0.361 0.000 2.422 416 K HA 0.730 5.050 4.320 0.000 0.000 0.251 416 K C -1.496 175.115 176.600 0.018 0.000 0.933 416 K CA -0.881 55.298 56.287 -0.181 0.000 0.798 416 K CB 3.099 35.525 32.500 -0.124 0.000 1.238 416 K HN 0.627 nan 8.250 nan 0.000 0.428 417 M N 4.005 123.625 119.600 0.033 0.000 2.125 417 M HA 0.267 4.747 4.480 0.000 0.000 0.321 417 M C -1.686 174.661 176.300 0.079 0.000 0.983 417 M CA -0.897 54.450 55.300 0.079 0.000 0.934 417 M CB 1.722 34.381 32.600 0.098 0.000 1.542 417 M HN 0.558 nan 8.290 nan 0.000 0.424 418 V N 5.018 124.987 119.914 0.092 0.000 2.407 418 V HA 0.456 4.576 4.120 0.000 0.000 0.278 418 V C -0.370 175.747 176.094 0.039 0.000 1.037 418 V CA -0.402 61.923 62.300 0.042 0.000 0.900 418 V CB 1.010 32.886 31.823 0.089 0.000 0.983 418 V HN 0.999 nan 8.190 nan 0.000 0.459 419 C N 5.086 124.382 119.300 -0.008 0.000 2.848 419 C HA 0.616 5.076 4.460 0.000 0.000 0.317 419 C C 0.188 175.149 174.990 -0.048 0.000 1.260 419 C CA -1.167 57.857 59.018 0.009 0.000 1.656 419 C CB 1.852 29.642 27.740 0.082 0.000 2.174 419 C HN 0.692 nan 8.230 nan 0.000 0.479 420 M N 1.647 121.209 119.600 -0.063 0.000 2.248 420 M HA 0.141 4.621 4.480 0.000 0.000 0.337 420 M C 1.326 177.616 176.300 -0.018 0.000 1.121 420 M CA 0.485 55.731 55.300 -0.091 0.000 1.155 420 M CB -0.294 32.243 32.600 -0.105 0.000 1.514 420 M HN 0.828 nan 8.290 nan 0.000 0.452 421 R N 1.625 122.125 120.500 -0.001 0.000 2.127 421 R HA -0.010 4.330 4.340 0.000 0.000 0.217 421 R C 0.158 176.485 176.300 0.045 0.000 1.074 421 R CA 0.551 56.657 56.100 0.010 0.000 0.991 421 R CB 0.385 30.683 30.300 -0.003 0.000 0.895 421 R HN 0.714 nan 8.270 nan 0.000 0.450 422 E N 2.326 122.561 120.200 0.059 0.000 2.360 422 E HA 0.164 4.514 4.350 0.000 0.000 0.269 422 E C -2.470 174.166 176.600 0.059 0.000 1.022 422 E CA -2.511 53.926 56.400 0.061 0.000 0.887 422 E CB 0.509 30.244 29.700 0.058 0.000 0.990 422 E HN 0.060 nan 8.360 nan 0.000 0.426 423 P HA 0.053 nan 4.420 nan 0.000 0.265 423 P C -1.810 175.521 177.300 0.052 0.000 1.193 423 P CA -0.779 62.364 63.100 0.072 0.000 0.765 423 P CB -0.016 31.724 31.700 0.067 0.000 0.823 424 P HA 0.076 nan 4.420 nan 0.000 0.257 424 P C -0.603 176.769 177.300 0.119 0.000 1.325 424 P CA 0.065 63.209 63.100 0.072 0.000 0.850 424 P CB 0.004 31.731 31.700 0.045 0.000 1.324 425 Q N -0.575 119.292 119.800 0.112 0.000 2.430 425 Q HA -0.152 4.188 4.340 0.000 0.000 0.307 425 Q C -0.358 175.718 176.000 0.127 0.000 1.434 425 Q CA -0.202 55.682 55.803 0.135 0.000 0.762 425 Q CB -2.107 26.764 28.738 0.221 0.000 1.093 425 Q HN 0.238 nan 8.270 nan 0.000 0.370 426 L N 0.323 121.585 121.223 0.065 0.000 2.640 426 L HA 0.010 4.350 4.340 0.000 0.000 0.280 426 L C -0.041 176.863 176.870 0.057 0.000 1.229 426 L CA 0.639 55.509 54.840 0.049 0.000 0.919 426 L CB 0.725 42.791 42.059 0.011 0.000 1.168 426 L HN 0.174 nan 8.230 nan 0.000 0.496 427 V N 7.485 127.447 119.914 0.080 0.000 2.572 427 V HA -0.008 4.112 4.120 0.000 0.000 0.291 427 V C 1.018 177.145 176.094 0.055 0.000 1.039 427 V CA -0.297 62.054 62.300 0.085 0.000 1.055 427 V CB 1.091 32.975 31.823 0.101 0.000 0.969 427 V HN 0.765 nan 8.190 nan 0.000 0.482 428 L N 3.760 125.014 121.223 0.051 0.000 2.537 428 L HA 0.533 4.873 4.340 0.000 0.000 0.224 428 L C 0.952 177.861 176.870 0.066 0.000 1.065 428 L CA 0.989 55.861 54.840 0.054 0.000 0.860 428 L CB -0.121 41.966 42.059 0.048 0.000 1.086 428 L HN 0.824 nan 8.230 nan 0.000 0.482 429 G N -0.517 108.326 108.800 0.070 0.000 2.755 429 G HA2 0.496 4.456 3.960 0.000 0.000 0.297 429 G HA3 0.496 4.456 3.960 0.000 0.000 0.297 429 G C -2.130 172.776 174.900 0.010 0.000 1.441 429 G CA -0.267 44.862 45.100 0.048 0.000 0.964 429 G HN -0.120 nan 8.290 nan 0.000 0.540 430 L N 1.261 122.381 121.223 -0.172 0.000 2.381 430 L HA 0.749 5.089 4.340 0.000 0.000 0.268 430 L C -1.277 175.377 176.870 -0.361 0.000 0.997 430 L CA -0.982 53.764 54.840 -0.157 0.000 0.818 430 L CB 2.321 44.287 42.059 -0.156 0.000 1.310 430 L HN 0.765 nan 8.230 nan 0.000 0.416 431 H N 4.150 123.278 119.070 0.097 0.000 2.924 431 H HA 0.383 4.939 4.556 0.000 0.000 0.333 431 H C -1.609 173.858 175.328 0.232 0.000 0.979 431 H CA -0.165 56.032 56.048 0.248 0.000 1.326 431 H CB 1.951 31.865 29.762 0.254 0.000 1.600 431 H HN 0.443 nan 8.280 nan 0.000 0.520 432 F N 4.239 124.326 119.950 0.227 0.000 2.536 432 F HA 0.481 5.008 4.527 0.000 0.000 0.322 432 F C -1.995 173.951 175.800 0.244 0.000 1.144 432 F CA -1.080 56.992 58.000 0.121 0.000 0.924 432 F CB 0.983 39.982 39.000 -0.003 0.000 1.181 432 F HN 0.367 nan 8.300 nan 0.000 0.438 433 L N 6.266 127.333 121.223 -0.258 0.000 2.298 433 L HA 0.946 5.286 4.340 0.000 0.000 0.284 433 L C -0.317 176.322 176.870 -0.386 0.000 1.013 433 L CA -0.236 54.519 54.840 -0.142 0.000 0.824 433 L CB 0.863 42.884 42.059 -0.062 0.000 1.221 433 L HN 0.848 nan 8.230 nan 0.000 0.418 434 G N 4.542 113.266 108.800 -0.127 0.000 2.315 434 G HA2 0.324 4.284 3.960 0.000 0.000 0.294 434 G HA3 0.324 4.284 3.960 0.000 0.000 0.294 434 G C -3.361 171.706 174.900 0.279 0.000 1.300 434 G CA -0.744 44.354 45.100 -0.003 0.000 0.843 434 G HN 0.332 nan 8.290 nan 0.000 0.527 435 P HA 0.192 nan 4.420 nan 0.000 0.271 435 P C -0.115 177.386 177.300 0.335 0.000 1.218 435 P CA 0.022 63.308 63.100 0.310 0.000 0.780 435 P CB 0.277 32.148 31.700 0.284 0.000 0.901 436 N N 0.050 118.917 118.700 0.278 0.000 2.727 436 N HA -0.243 4.497 4.740 0.000 0.000 0.249 436 N C 1.032 176.643 175.510 0.168 0.000 1.048 436 N CA 0.955 54.135 53.050 0.218 0.000 0.714 436 N CB -1.535 37.038 38.487 0.143 0.000 0.959 436 N HN 0.575 nan 8.380 nan 0.000 0.544 437 A N 0.132 123.093 122.820 0.236 0.000 1.940 437 A HA -0.019 4.301 4.320 0.000 0.000 0.219 437 A C 2.303 179.877 177.584 -0.016 0.000 1.176 437 A CA 2.139 54.284 52.037 0.179 0.000 0.631 437 A CB -0.723 18.475 19.000 0.329 0.000 0.814 437 A HN 0.535 nan 8.150 nan 0.000 0.446 438 G N -0.393 108.408 108.800 0.002 0.000 2.408 438 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 438 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 438 G C 1.318 176.229 174.900 0.019 0.000 1.150 438 G CA 0.925 46.029 45.100 0.006 0.000 0.776 438 G HN 0.505 nan 8.290 nan 0.000 0.542 439 E N 0.735 120.957 120.200 0.035 0.000 2.058 439 E HA -0.117 4.233 4.350 0.000 0.000 0.194 439 E C 2.846 179.403 176.600 -0.071 0.000 0.997 439 E CA 0.984 57.379 56.400 -0.008 0.000 0.801 439 E CB -0.864 28.843 29.700 0.012 0.000 0.746 439 E HN 0.334 nan 8.360 nan 0.000 0.450 440 V N 1.531 121.358 119.914 -0.146 0.000 2.261 440 V HA -0.235 3.885 4.120 0.000 0.000 0.246 440 V C 2.428 178.487 176.094 -0.058 0.000 1.047 440 V CA 2.275 64.438 62.300 -0.229 0.000 1.015 440 V CB -1.038 30.346 31.823 -0.731 0.000 0.642 440 V HN 0.277 nan 8.190 nan 0.000 0.446 441 T N -0.684 113.820 114.554 -0.084 0.000 2.788 441 T HA -0.265 4.085 4.350 0.000 0.000 0.268 441 T C 1.916 176.647 174.700 0.052 0.000 1.044 441 T CA 1.766 63.878 62.100 0.020 0.000 1.139 441 T CB -0.258 68.580 68.868 -0.049 0.000 0.867 441 T HN 0.453 nan 8.240 nan 0.000 0.454 442 Q N 1.330 121.120 119.800 -0.017 0.000 2.045 442 Q HA -0.068 4.272 4.340 0.000 0.000 0.206 442 Q C 2.451 178.411 176.000 -0.068 0.000 0.991 442 Q CA 2.243 58.025 55.803 -0.036 0.000 0.851 442 Q CB -1.078 27.634 28.738 -0.043 0.000 0.911 442 Q HN 0.503 nan 8.270 nan 0.000 0.418 443 G N -1.150 107.557 108.800 -0.154 0.000 2.432 443 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 443 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 443 G C 0.970 175.688 174.900 -0.303 0.000 1.135 443 G CA 0.781 45.714 45.100 -0.277 0.000 0.767 443 G HN 0.410 nan 8.290 nan 0.000 0.550 444 F N 1.563 121.465 119.950 -0.080 0.000 2.407 444 F HA 0.180 4.707 4.527 0.000 0.000 0.299 444 F C 2.863 178.628 175.800 -0.058 0.000 1.097 444 F CA 0.484 58.444 58.000 -0.068 0.000 1.422 444 F CB -0.156 38.799 39.000 -0.076 0.000 1.067 444 F HN 0.230 nan 8.300 nan 0.000 0.539 445 A N 0.048 122.911 122.820 0.070 0.000 1.930 445 A HA -0.140 4.180 4.320 0.000 0.000 0.217 445 A C 2.122 179.705 177.584 -0.001 0.000 1.175 445 A CA 1.386 53.436 52.037 0.021 0.000 0.627 445 A CB -0.955 18.041 19.000 -0.007 0.000 0.815 445 A HN 0.340 nan 8.150 nan 0.000 0.443 446 L N 0.250 121.455 121.223 -0.030 0.000 1.994 446 L HA -0.027 4.313 4.340 0.000 0.000 0.208 446 L C 2.424 179.278 176.870 -0.026 0.000 1.071 446 L CA 2.455 57.270 54.840 -0.041 0.000 0.745 446 L CB -1.213 40.803 42.059 -0.072 0.000 0.892 446 L HN 0.307 nan 8.230 nan 0.000 0.431 447 G N -0.030 108.757 108.800 -0.022 0.000 2.556 447 G HA2 -0.336 3.624 3.960 0.000 0.000 0.220 447 G HA3 -0.336 3.624 3.960 0.000 0.000 0.220 447 G C 1.511 176.432 174.900 0.035 0.000 1.156 447 G CA 1.394 46.504 45.100 0.016 0.000 0.766 447 G HN 0.409 nan 8.290 nan 0.000 0.583 448 I N 0.986 121.583 120.570 0.046 0.000 2.179 448 I HA -0.062 4.108 4.170 0.000 0.000 0.242 448 I C 2.493 178.621 176.117 0.019 0.000 1.088 448 I CA 1.128 62.450 61.300 0.037 0.000 1.357 448 I CB -0.687 37.332 38.000 0.033 0.000 1.051 448 I HN 0.078 nan 8.210 nan 0.000 0.409 449 K N 0.494 120.898 120.400 0.007 0.000 2.103 449 K HA -0.141 4.179 4.320 0.000 0.000 0.207 449 K C 1.971 178.569 176.600 -0.002 0.000 1.048 449 K CA 1.643 57.929 56.287 -0.002 0.000 0.930 449 K CB -0.577 31.915 32.500 -0.014 0.000 0.716 449 K HN 0.408 nan 8.250 nan 0.000 0.444 450 C N -0.469 118.830 119.300 -0.002 0.000 2.576 450 C HA 0.360 4.820 4.460 0.000 0.000 0.267 450 C C 1.206 176.198 174.990 0.004 0.000 1.364 450 C CA 0.113 59.128 59.018 -0.004 0.000 1.723 450 C CB -1.215 26.518 27.740 -0.011 0.000 1.778 450 C HN 0.696 nan 8.230 nan 0.000 0.572 451 G N 1.102 109.910 108.800 0.013 0.000 2.225 451 G HA2 -0.004 3.956 3.960 0.000 0.000 0.264 451 G HA3 -0.004 3.956 3.960 0.000 0.000 0.264 451 G C 0.173 175.087 174.900 0.023 0.000 1.060 451 G CA 0.218 45.329 45.100 0.019 0.000 0.833 451 G HN 1.006 nan 8.290 nan 0.000 0.498 452 A N -0.149 122.688 122.820 0.028 0.000 2.609 452 A HA 0.526 4.846 4.320 0.000 0.000 0.232 452 A C 1.170 178.783 177.584 0.049 0.000 1.041 452 A CA 1.306 53.364 52.037 0.035 0.000 0.753 452 A CB 0.158 19.190 19.000 0.054 0.000 0.966 452 A HN 2.152 nan 8.150 nan 0.000 0.510 453 S N 1.209 116.935 115.700 0.043 0.000 2.718 453 S HA 0.454 4.924 4.470 0.000 0.000 0.300 453 S C 0.603 175.256 174.600 0.088 0.000 1.117 453 S CA -0.115 58.129 58.200 0.072 0.000 1.002 453 S CB 0.532 63.766 63.200 0.057 0.000 1.092 453 S HN 0.810 nan 8.310 nan 0.000 0.542 454 Y N 1.502 121.813 120.300 0.018 0.000 2.207 454 Y HA -0.070 4.480 4.550 0.000 0.000 0.287 454 Y C 2.497 178.369 175.900 -0.047 0.000 1.156 454 Y CA 1.757 59.844 58.100 -0.022 0.000 1.182 454 Y CB -1.104 37.357 38.460 0.002 0.000 0.979 454 Y HN 0.854 nan 8.280 nan 0.000 0.521 455 A N 0.183 122.928 122.820 -0.124 0.000 1.903 455 A HA -0.341 3.979 4.320 0.000 0.000 0.219 455 A C 2.121 179.587 177.584 -0.196 0.000 1.191 455 A CA 2.400 54.334 52.037 -0.171 0.000 0.638 455 A CB -0.828 18.145 19.000 -0.044 0.000 0.823 455 A HN 0.681 nan 8.150 nan 0.000 0.451 456 Q N -0.905 118.822 119.800 -0.122 0.000 2.172 456 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 456 Q C 2.087 178.017 176.000 -0.117 0.000 0.964 456 Q CA 1.141 56.889 55.803 -0.092 0.000 0.855 456 Q CB -0.188 28.525 28.738 -0.041 0.000 0.918 456 Q HN 0.511 nan 8.270 nan 0.000 0.444 457 V N 0.725 120.543 119.914 -0.160 0.000 2.295 457 V HA -0.288 3.832 4.120 0.000 0.000 0.246 457 V C 2.133 178.074 176.094 -0.254 0.000 1.049 457 V CA 1.735 63.943 62.300 -0.153 0.000 1.024 457 V CB -0.401 31.357 31.823 -0.108 0.000 0.648 457 V HN 0.420 nan 8.190 nan 0.000 0.447 458 M N 0.173 119.493 119.600 -0.466 0.000 2.202 458 M HA -0.233 4.247 4.480 0.000 0.000 0.262 458 M C 2.196 178.374 176.300 -0.204 0.000 1.063 458 M CA 1.885 56.955 55.300 -0.383 0.000 1.097 458 M CB -0.338 31.990 32.600 -0.454 0.000 1.382 458 M HN 0.555 nan 8.290 nan 0.000 0.413 459 Q N -0.886 118.811 119.800 -0.171 0.000 2.403 459 Q HA 0.072 4.412 4.340 0.000 0.000 0.203 459 Q C -0.370 175.583 176.000 -0.079 0.000 0.932 459 Q CA 0.365 56.103 55.803 -0.109 0.000 0.945 459 Q CB -0.205 28.477 28.738 -0.093 0.000 1.045 459 Q HN 0.193 nan 8.270 nan 0.000 0.511 460 T N 2.001 116.512 114.554 -0.073 0.000 2.761 460 T HA 0.311 4.661 4.350 0.000 0.000 0.296 460 T C -0.194 174.486 174.700 -0.034 0.000 0.934 460 T CA -0.424 61.650 62.100 -0.043 0.000 1.091 460 T CB 1.496 70.355 68.868 -0.015 0.000 0.896 460 T HN 0.028 nan 8.240 nan 0.000 0.515 461 V N 3.532 123.428 119.914 -0.031 0.000 2.614 461 V HA 0.416 4.536 4.120 0.000 0.000 0.291 461 V C 1.329 177.419 176.094 -0.007 0.000 1.049 461 V CA -0.694 61.590 62.300 -0.026 0.000 1.038 461 V CB 0.993 32.799 31.823 -0.027 0.000 0.980 461 V HN 1.030 nan 8.190 nan 0.000 0.481 462 G N 4.504 113.305 108.800 0.002 0.000 2.554 462 G HA2 0.357 4.317 3.960 0.000 0.000 0.238 462 G HA3 0.357 4.317 3.960 0.000 0.000 0.238 462 G C -0.338 174.586 174.900 0.040 0.000 1.259 462 G CA -0.489 44.628 45.100 0.028 0.000 0.843 462 G HN 0.470 nan 8.290 nan 0.000 0.582 463 I N 1.276 121.877 120.570 0.053 0.000 2.342 463 I HA 0.269 4.439 4.170 0.000 0.000 0.291 463 I C -0.059 176.132 176.117 0.123 0.000 1.010 463 I CA -0.997 60.339 61.300 0.061 0.000 1.308 463 I CB 0.859 38.876 38.000 0.028 0.000 1.400 463 I HN 0.494 nan 8.210 nan 0.000 0.488 464 H N 7.187 126.264 119.070 0.011 0.000 2.538 464 H HA 0.716 5.272 4.556 0.000 0.000 0.353 464 H C -2.488 172.855 175.328 0.025 0.000 1.109 464 H CA -1.694 54.366 56.048 0.021 0.000 1.192 464 H CB 1.572 31.345 29.762 0.019 0.000 1.555 464 H HN 0.375 nan 8.280 nan 0.000 0.518 465 P HA 0.331 nan 4.420 nan 0.000 0.297 465 P C -1.274 175.971 177.300 -0.091 0.000 1.319 465 P CA -0.635 62.204 63.100 -0.434 0.000 0.810 465 P CB 1.449 32.806 31.700 -0.572 0.000 0.947 466 T N -1.428 113.137 114.554 0.019 0.000 2.864 466 T HA 0.278 4.628 4.350 0.000 0.000 0.299 466 T C 0.722 175.462 174.700 0.067 0.000 1.166 466 T CA -0.519 61.606 62.100 0.041 0.000 1.007 466 T CB 0.715 69.604 68.868 0.036 0.000 1.219 466 T HN 0.298 nan 8.240 nan 0.000 0.506 467 C N 1.134 120.480 119.300 0.077 0.000 2.486 467 C HA 0.011 4.471 4.460 0.000 0.000 0.279 467 C C 3.220 178.209 174.990 -0.001 0.000 1.302 467 C CA 1.134 60.195 59.018 0.073 0.000 1.720 467 C CB -1.328 26.574 27.740 0.270 0.000 2.030 467 C HN 1.067 nan 8.230 nan 0.000 0.490 468 S N 2.839 118.534 115.700 -0.008 0.000 2.387 468 S HA -0.302 4.168 4.470 0.000 0.000 0.230 468 S C 1.677 176.303 174.600 0.043 0.000 1.035 468 S CA 2.072 60.257 58.200 -0.025 0.000 1.014 468 S CB -0.950 62.253 63.200 0.005 0.000 0.836 468 S HN 0.883 nan 8.310 nan 0.000 0.466 469 E N 1.490 121.718 120.200 0.047 0.000 2.160 469 E HA -0.234 4.116 4.350 0.000 0.000 0.195 469 E C 1.662 178.276 176.600 0.022 0.000 0.991 469 E CA 1.309 57.745 56.400 0.059 0.000 0.810 469 E CB -0.465 29.284 29.700 0.082 0.000 0.742 469 E HN 0.516 nan 8.360 nan 0.000 0.466 470 E N 0.978 121.156 120.200 -0.036 0.000 2.209 470 E HA -0.149 4.201 4.350 0.000 0.000 0.196 470 E C 2.339 178.886 176.600 -0.088 0.000 0.993 470 E CA 1.132 57.480 56.400 -0.087 0.000 0.819 470 E CB -0.221 29.303 29.700 -0.292 0.000 0.745 470 E HN 0.290 nan 8.360 nan 0.000 0.477 471 V N 0.767 120.618 119.914 -0.106 0.000 2.427 471 V HA -0.153 3.967 4.120 0.000 0.000 0.248 471 V C 2.326 178.364 176.094 -0.093 0.000 1.051 471 V CA 1.140 63.325 62.300 -0.193 0.000 1.048 471 V CB -0.257 31.230 31.823 -0.561 0.000 0.666 471 V HN 0.073 nan 8.190 nan 0.000 0.456 472 V N -0.722 119.192 119.914 0.001 0.000 3.623 472 V HA 0.033 4.153 4.120 0.000 0.000 0.271 472 V C 1.901 178.001 176.094 0.009 0.000 1.248 472 V CA 1.105 63.425 62.300 0.034 0.000 1.156 472 V CB -0.241 31.640 31.823 0.097 0.000 0.870 472 V HN 0.512 nan 8.190 nan 0.000 0.453 473 K N -0.404 120.012 120.400 0.027 0.000 2.358 473 K HA 0.283 4.603 4.320 0.000 0.000 0.197 473 K C 0.372 177.074 176.600 0.171 0.000 1.025 473 K CA -0.142 56.181 56.287 0.060 0.000 1.104 473 K CB 0.388 32.922 32.500 0.056 0.000 0.855 473 K HN 0.334 nan 8.250 nan 0.000 0.531 474 L N 2.590 123.892 121.223 0.131 0.000 2.499 474 L HA -0.040 4.300 4.340 0.000 0.000 0.273 474 L C 1.345 178.349 176.870 0.222 0.000 1.195 474 L CA 0.588 55.520 54.840 0.153 0.000 0.882 474 L CB 0.234 42.356 42.059 0.105 0.000 1.133 474 L HN 0.465 nan 8.230 nan 0.000 0.483 475 H N 2.252 121.391 119.070 0.115 0.000 3.826 475 H HA 0.174 4.730 4.556 0.000 0.000 0.256 475 H C -0.033 175.449 175.328 0.257 0.000 1.087 475 H CA -0.378 55.746 56.048 0.128 0.000 1.166 475 H CB 0.454 30.274 29.762 0.097 0.000 1.362 475 H HN 0.269 nan 8.280 nan 0.000 0.803 476 I N 4.548 125.008 120.570 -0.184 0.000 2.337 476 I HA 0.178 4.348 4.170 0.000 0.000 0.291 476 I C 0.870 177.095 176.117 0.179 0.000 1.046 476 I CA -0.089 61.200 61.300 -0.020 0.000 1.324 476 I CB 0.964 38.897 38.000 -0.112 0.000 1.409 476 I HN 0.251 nan 8.210 nan 0.000 0.494 477 S N 6.033 121.768 115.700 0.058 0.000 2.586 477 S HA 0.309 4.779 4.470 0.000 0.000 0.274 477 S C 0.943 175.429 174.600 -0.190 0.000 1.281 477 S CA -0.697 57.361 58.200 -0.236 0.000 1.035 477 S CB 1.888 64.886 63.200 -0.336 0.000 0.962 477 S HN 0.558 nan 8.310 nan 0.000 0.512 478 K N 1.296 121.463 120.400 -0.388 0.000 2.152 478 K HA -0.146 4.174 4.320 0.000 0.000 0.206 478 K C 2.278 178.774 176.600 -0.173 0.000 1.048 478 K CA 1.304 57.387 56.287 -0.340 0.000 0.933 478 K CB -0.205 32.047 32.500 -0.414 0.000 0.721 478 K HN 0.700 nan 8.250 nan 0.000 0.447 479 R N 1.259 121.648 120.500 -0.185 0.000 2.096 479 R HA -0.130 4.210 4.340 0.000 0.000 0.235 479 R C 2.304 178.563 176.300 -0.068 0.000 1.127 479 R CA 1.902 57.930 56.100 -0.121 0.000 0.968 479 R CB -0.104 30.118 30.300 -0.131 0.000 0.861 479 R HN 0.230 nan 8.270 nan 0.000 0.440 480 S N -1.011 114.659 115.700 -0.051 0.000 2.423 480 S HA -0.000 4.470 4.470 0.000 0.000 0.231 480 S C 1.572 176.177 174.600 0.008 0.000 1.014 480 S CA 0.797 58.993 58.200 -0.007 0.000 0.965 480 S CB -0.280 62.932 63.200 0.020 0.000 0.785 480 S HN 0.605 nan 8.310 nan 0.000 0.495 481 G N 0.945 109.752 108.800 0.013 0.000 2.166 481 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 481 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 481 G C -0.028 174.907 174.900 0.057 0.000 0.986 481 G CA 0.529 45.650 45.100 0.034 0.000 0.683 481 G HN 0.570 nan 8.290 nan 0.000 0.527 482 L N -0.106 121.158 121.223 0.069 0.000 2.453 482 L HA 0.495 4.835 4.340 0.000 0.000 0.261 482 L C 1.010 177.927 176.870 0.078 0.000 1.179 482 L CA -0.819 54.060 54.840 0.065 0.000 0.813 482 L CB 0.599 42.693 42.059 0.059 0.000 1.110 482 L HN 0.226 nan 8.230 nan 0.000 0.466 483 E N 3.762 123.991 120.200 0.050 0.000 2.415 483 E HA 0.005 4.355 4.350 0.000 0.000 0.260 483 E C -1.866 174.740 176.600 0.010 0.000 1.016 483 E CA -1.074 55.346 56.400 0.034 0.000 0.924 483 E CB 0.607 30.321 29.700 0.023 0.000 0.961 483 E HN 0.198 nan 8.360 nan 0.000 0.459 484 P HA 0.073 nan 4.420 nan 0.000 0.253 484 P C -0.415 176.931 177.300 0.076 0.000 1.260 484 P CA 0.050 63.080 63.100 -0.118 0.000 0.800 484 P CB 0.513 31.882 31.700 -0.552 0.000 1.162 485 T N 0.000 114.610 114.554 0.093 0.000 3.816 485 T HA 0.000 4.350 4.350 0.000 0.000 0.228 485 T CA 0.000 62.168 62.100 0.114 0.000 1.349 485 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 485 T HN 0.000 nan 8.240 nan 0.000 0.658