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 2cft_1_A DATA FIRST_RESID 1 DATA SEQUENCE MARCERLRGA ALRDVLGRAQ GVLFDCDGVL WNGERAVPGA PELLERLARA DATA SEQUENCE GKAALFVSNN SRRARPELAL RFARLGFGGL RAEQLFSSAL cAARLLRQRL DATA SEQUENCE PGPPDXXGAV FVLGGEGLRA ELRAAGLRLA GDPSAGDGAA PRVRAVLVGY DATA SEQUENCE DEHFSFAKLR EACAHLRDPE CLLVATDRDP WHPLSDGSRT PGTGSLAAAV DATA SEQUENCE ETASGRQALV VGKPSPYMFE cITENFSIDP ARTLMVGDRL ETDILFGHRC DATA SEQUENCE GMTTVLTLTG VSRLEEAQAY LAAGQHDLVP HYYVESIADL TEGLE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.462 32.600 -0.230 0.000 1.302 2 A N 0.567 123.351 122.820 -0.061 0.000 2.524 2 A HA 0.568 4.889 4.320 0.002 0.000 0.250 2 A C 0.641 178.222 177.584 -0.006 0.000 1.078 2 A CA 0.793 52.729 52.037 -0.169 0.000 0.761 2 A CB -0.141 18.658 19.000 -0.334 0.000 1.012 2 A HN 0.915 nan 8.150 nan 0.000 0.500 3 R N 1.198 121.683 120.500 -0.025 0.000 2.565 3 R HA 0.407 4.748 4.340 0.002 0.000 0.347 3 R C 0.768 177.093 176.300 0.042 0.000 1.010 3 R CA 0.610 56.726 56.100 0.026 0.000 1.126 3 R CB -1.147 29.170 30.300 0.028 0.000 1.331 3 R HN 2.058 nan 8.270 nan 0.000 0.552 4 C N 1.976 121.296 119.300 0.034 0.000 4.056 4 C HA -0.156 4.305 4.460 0.002 0.000 0.302 4 C C 0.487 175.642 174.990 0.275 0.000 1.356 4 C CA 0.775 59.883 59.018 0.150 0.000 2.074 4 C CB -2.355 25.454 27.740 0.116 0.000 1.328 4 C HN 0.814 nan 8.230 nan 0.000 0.684 5 E N 1.494 121.795 120.200 0.167 0.000 2.283 5 E HA 0.315 4.666 4.350 0.002 0.000 0.278 5 E C 0.550 177.183 176.600 0.055 0.000 1.027 5 E CA -0.690 55.811 56.400 0.169 0.000 0.843 5 E CB 0.619 30.412 29.700 0.155 0.000 1.062 5 E HN 0.650 nan 8.360 nan 0.000 0.401 6 R N 4.829 125.197 120.500 -0.220 0.000 2.404 6 R HA 0.062 4.403 4.340 0.002 0.000 0.315 6 R C -0.758 175.393 176.300 -0.249 0.000 1.032 6 R CA -0.425 55.273 56.100 -0.669 0.000 0.992 6 R CB 0.212 30.167 30.300 -0.575 0.000 0.959 6 R HN 0.426 nan 8.270 nan 0.000 0.428 7 L N 6.624 127.703 121.223 -0.241 0.000 2.281 7 L HA 0.349 4.690 4.340 0.002 0.000 0.285 7 L C -0.478 176.283 176.870 -0.181 0.000 1.074 7 L CA 0.326 55.041 54.840 -0.207 0.000 0.817 7 L CB 0.415 42.284 42.059 -0.316 0.000 1.168 7 L HN 0.825 nan 8.230 nan 0.000 0.434 8 R N 3.057 123.469 120.500 -0.147 0.000 2.741 8 R HA 0.764 5.105 4.340 0.002 0.000 0.276 8 R C 0.123 176.375 176.300 -0.081 0.000 1.028 8 R CA -0.511 55.528 56.100 -0.101 0.000 0.865 8 R CB 0.048 30.301 30.300 -0.078 0.000 1.268 8 R HN 0.921 nan 8.270 nan 0.000 0.475 9 G N 0.444 109.208 108.800 -0.060 0.000 2.574 9 G HA2 -0.283 3.678 3.960 0.002 0.000 0.286 9 G HA3 -0.283 3.678 3.960 0.002 0.000 0.286 9 G C 0.904 175.773 174.900 -0.051 0.000 1.212 9 G CA 1.101 46.174 45.100 -0.045 0.000 0.979 9 G HN 1.343 nan 8.290 nan 0.000 0.557 10 A N -0.550 122.246 122.820 -0.040 0.000 1.933 10 A HA 0.298 4.619 4.320 0.002 0.000 0.218 10 A C 3.024 180.574 177.584 -0.056 0.000 1.175 10 A CA 3.518 55.531 52.037 -0.040 0.000 0.628 10 A CB -1.040 17.944 19.000 -0.026 0.000 0.814 10 A HN 2.304 nan 8.150 nan 0.000 0.444 11 A N -0.280 122.501 122.820 -0.064 0.000 1.902 11 A HA -0.066 4.255 4.320 0.002 0.000 0.217 11 A C 2.139 179.622 177.584 -0.169 0.000 1.181 11 A CA 1.782 53.763 52.037 -0.094 0.000 0.623 11 A CB -0.641 18.314 19.000 -0.075 0.000 0.818 11 A HN 0.808 nan 8.150 nan 0.000 0.443 12 L N -0.327 120.793 121.223 -0.171 0.000 2.046 12 L HA -0.112 4.229 4.340 0.002 0.000 0.208 12 L C 2.379 179.168 176.870 -0.135 0.000 1.077 12 L CA 1.994 56.720 54.840 -0.190 0.000 0.747 12 L CB -0.567 41.404 42.059 -0.146 0.000 0.896 12 L HN 0.335 nan 8.230 nan 0.000 0.432 13 R N -0.397 120.047 120.500 -0.093 0.000 2.081 13 R HA -0.145 4.196 4.340 0.002 0.000 0.235 13 R C 1.935 178.193 176.300 -0.070 0.000 1.131 13 R CA 1.562 57.621 56.100 -0.067 0.000 0.960 13 R CB -0.433 29.838 30.300 -0.048 0.000 0.856 13 R HN 0.467 nan 8.270 nan 0.000 0.436 14 D N -0.063 120.291 120.400 -0.076 0.000 2.097 14 D HA -0.128 4.513 4.640 0.002 0.000 0.195 14 D C 1.979 178.228 176.300 -0.085 0.000 0.989 14 D CA 1.054 55.014 54.000 -0.068 0.000 0.827 14 D CB -0.322 40.444 40.800 -0.056 0.000 0.966 14 D HN -0.012 nan 8.370 nan 0.000 0.456 15 V N 0.968 120.803 119.914 -0.132 0.000 2.295 15 V HA -0.197 3.925 4.120 0.002 0.000 0.246 15 V C 2.649 178.668 176.094 -0.125 0.000 1.049 15 V CA 1.176 63.382 62.300 -0.156 0.000 1.024 15 V CB -0.428 31.208 31.823 -0.312 0.000 0.648 15 V HN 0.194 nan 8.190 nan 0.000 0.447 16 L N 0.062 121.212 121.223 -0.122 0.000 2.141 16 L HA -0.058 4.283 4.340 0.002 0.000 0.209 16 L C 2.541 179.373 176.870 -0.064 0.000 1.094 16 L CA 1.503 56.290 54.840 -0.088 0.000 0.763 16 L CB -0.912 41.104 42.059 -0.072 0.000 0.908 16 L HN 0.489 nan 8.230 nan 0.000 0.437 17 G N -0.396 108.369 108.800 -0.059 0.000 2.402 17 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 17 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 17 G C 1.721 176.595 174.900 -0.042 0.000 1.162 17 G CA 0.302 45.376 45.100 -0.043 0.000 0.777 17 G HN 0.271 nan 8.290 nan 0.000 0.539 18 R N 0.568 121.038 120.500 -0.050 0.000 2.148 18 R HA 0.242 4.583 4.340 0.002 0.000 0.223 18 R C 1.572 177.841 176.300 -0.052 0.000 1.088 18 R CA 0.354 56.426 56.100 -0.047 0.000 0.985 18 R CB -0.196 30.074 30.300 -0.049 0.000 0.880 18 R HN 0.319 nan 8.270 nan 0.000 0.451 19 A N 1.244 124.026 122.820 -0.063 0.000 2.520 19 A HA -0.051 4.270 4.320 0.002 0.000 0.245 19 A C 0.556 178.106 177.584 -0.056 0.000 1.072 19 A CA 0.063 52.058 52.037 -0.070 0.000 0.761 19 A CB 0.401 19.347 19.000 -0.089 0.000 1.004 19 A HN 0.345 nan 8.150 nan 0.000 0.499 20 Q N 1.139 120.907 119.800 -0.054 0.000 2.398 20 Q HA 0.267 4.609 4.340 0.002 0.000 0.204 20 Q C 0.812 176.782 176.000 -0.050 0.000 0.932 20 Q CA 0.696 56.475 55.803 -0.041 0.000 0.916 20 Q CB 0.471 29.190 28.738 -0.031 0.000 1.024 20 Q HN 0.958 nan 8.270 nan 0.000 0.504 21 G N -0.720 108.035 108.800 -0.076 0.000 2.601 21 G HA2 0.465 4.426 3.960 0.002 0.000 0.291 21 G HA3 0.465 4.426 3.960 0.002 0.000 0.291 21 G C -1.834 172.969 174.900 -0.161 0.000 1.456 21 G CA -0.574 44.464 45.100 -0.103 0.000 0.804 21 G HN -0.088 nan 8.290 nan 0.000 0.499 22 V N 0.606 120.383 119.914 -0.227 0.000 2.588 22 V HA 0.604 4.726 4.120 0.002 0.000 0.304 22 V C -0.823 174.971 176.094 -0.501 0.000 1.042 22 V CA -0.810 61.239 62.300 -0.418 0.000 0.877 22 V CB 1.624 33.085 31.823 -0.604 0.000 0.996 22 V HN 0.749 nan 8.190 nan 0.000 0.425 23 L N 5.530 126.476 121.223 -0.460 0.000 2.265 23 L HA 0.647 4.988 4.340 0.002 0.000 0.289 23 L C -1.031 175.600 176.870 -0.399 0.000 1.033 23 L CA 0.070 54.708 54.840 -0.336 0.000 0.814 23 L CB 0.555 42.546 42.059 -0.113 0.000 1.203 23 L HN 0.452 nan 8.230 nan 0.000 0.423 24 F N 3.298 123.115 119.950 -0.221 0.000 2.415 24 F HA 0.316 4.844 4.527 0.002 0.000 0.348 24 F C 0.617 176.407 175.800 -0.017 0.000 1.119 24 F CA -0.687 57.248 58.000 -0.109 0.000 1.069 24 F CB 1.046 39.990 39.000 -0.092 0.000 1.124 24 F HN 0.530 nan 8.300 nan 0.000 0.472 25 D N 1.753 122.240 120.400 0.145 0.000 2.361 25 D HA 0.102 4.743 4.640 0.002 0.000 0.239 25 D C 0.270 176.558 176.300 -0.021 0.000 1.200 25 D CA -0.093 53.944 54.000 0.062 0.000 0.915 25 D CB 1.122 41.935 40.800 0.021 0.000 1.170 25 D HN 0.548 nan 8.370 nan 0.000 0.444 26 C N 0.409 119.606 119.300 -0.171 0.000 2.877 26 C HA 0.222 4.683 4.460 0.002 0.000 0.273 26 C C 0.531 175.026 174.990 -0.824 0.000 1.717 26 C CA 0.011 58.670 59.018 -0.598 0.000 1.786 26 C CB -0.855 26.620 27.740 -0.442 0.000 1.687 26 C HN 0.788 nan 8.230 nan 0.000 0.748 27 D N -0.444 119.715 120.400 -0.402 0.000 2.424 27 D HA 0.413 5.054 4.640 0.002 0.000 0.244 27 D C 1.098 177.306 176.300 -0.154 0.000 1.134 27 D CA 1.730 55.597 54.000 -0.221 0.000 0.881 27 D CB 0.438 41.273 40.800 0.057 0.000 1.191 27 D HN 0.696 nan 8.370 nan 0.000 0.445 28 G N 1.404 110.151 108.800 -0.089 0.000 2.179 28 G HA2 -0.261 3.701 3.960 0.002 0.000 0.260 28 G HA3 -0.261 3.701 3.960 0.002 0.000 0.260 28 G C 0.752 175.623 174.900 -0.049 0.000 0.977 28 G CA 0.437 45.522 45.100 -0.024 0.000 0.641 28 G HN 0.514 nan 8.290 nan 0.000 0.533 29 V N -0.350 119.471 119.914 -0.155 0.000 3.278 29 V HA 0.331 4.452 4.120 0.002 0.000 0.215 29 V C 2.364 178.363 176.094 -0.159 0.000 1.287 29 V CA 1.139 63.377 62.300 -0.102 0.000 1.302 29 V CB -0.247 31.535 31.823 -0.068 0.000 1.228 29 V HN 0.191 nan 8.190 nan 0.000 0.523 30 L N -0.553 120.399 121.223 -0.451 0.000 2.307 30 L HA 0.139 4.480 4.340 0.002 0.000 0.211 30 L C 0.630 177.472 176.870 -0.046 0.000 1.099 30 L CA 0.843 55.420 54.840 -0.439 0.000 0.816 30 L CB 0.043 41.372 42.059 -1.217 0.000 0.952 30 L HN 0.654 nan 8.230 nan 0.000 0.455 31 W N -1.825 119.466 121.300 -0.015 0.000 3.059 31 W HA 0.440 5.102 4.660 0.003 0.000 0.329 31 W C -1.639 174.876 176.519 -0.007 0.000 1.246 31 W CA -1.570 55.779 57.345 0.007 0.000 1.190 31 W CB 0.218 29.661 29.460 -0.028 0.000 1.423 31 W HN -0.273 nan 8.180 nan 0.000 0.571 32 N N 1.263 120.166 118.700 0.338 0.000 2.491 32 N HA 0.543 5.284 4.740 0.002 0.000 0.274 32 N C 0.535 176.154 175.510 0.181 0.000 1.023 32 N CA 0.283 53.475 53.050 0.238 0.000 0.902 32 N CB 1.855 40.429 38.487 0.145 0.000 1.267 32 N HN 1.151 nan 8.380 nan 0.000 0.503 33 G N 1.903 110.795 108.800 0.152 0.000 2.596 33 G HA2 -0.354 3.607 3.960 0.002 0.000 0.304 33 G HA3 -0.354 3.607 3.960 0.002 0.000 0.304 33 G C 0.324 175.154 174.900 -0.118 0.000 1.189 33 G CA 0.104 45.205 45.100 0.001 0.000 0.986 33 G HN 0.518 nan 8.290 nan 0.000 0.548 34 E N 1.398 121.544 120.200 -0.090 0.000 2.444 34 E HA 0.173 4.524 4.350 0.002 0.000 0.191 34 E C 1.249 177.815 176.600 -0.058 0.000 1.041 34 E CA 0.031 56.353 56.400 -0.130 0.000 0.883 34 E CB 0.368 30.005 29.700 -0.105 0.000 1.024 34 E HN 0.474 nan 8.360 nan 0.000 0.470 35 R N 0.918 121.428 120.500 0.017 0.000 2.310 35 R HA 0.508 4.849 4.340 0.002 0.000 0.324 35 R C -0.573 175.818 176.300 0.152 0.000 0.955 35 R CA -0.402 55.735 56.100 0.062 0.000 0.830 35 R CB 1.037 31.373 30.300 0.060 0.000 1.154 35 R HN -0.026 nan 8.270 nan 0.000 0.458 36 A N 3.632 126.547 122.820 0.157 0.000 2.498 36 A HA 0.161 4.482 4.320 0.002 0.000 0.239 36 A C 0.069 177.762 177.584 0.183 0.000 1.068 36 A CA -0.334 51.857 52.037 0.257 0.000 0.766 36 A CB 0.605 19.701 19.000 0.161 0.000 1.003 36 A HN 0.558 nan 8.150 nan 0.000 0.497 37 V N 5.114 125.155 119.914 0.211 0.000 2.485 37 V HA 0.098 4.220 4.120 0.002 0.000 0.287 37 V C -1.887 174.268 176.094 0.102 0.000 1.022 37 V CA -0.655 61.726 62.300 0.136 0.000 1.067 37 V CB 0.508 32.404 31.823 0.123 0.000 0.967 37 V HN 0.758 nan 8.190 nan 0.000 0.479 38 P HA 0.189 nan 4.420 nan 0.000 0.262 38 P C 0.948 178.272 177.300 0.039 0.000 1.182 38 P CA 1.393 64.516 63.100 0.038 0.000 0.761 38 P CB 0.497 32.217 31.700 0.032 0.000 0.795 39 G N 2.701 111.510 108.800 0.016 0.000 2.217 39 G HA2 -0.331 3.630 3.960 0.002 0.000 0.246 39 G HA3 -0.331 3.630 3.960 0.002 0.000 0.246 39 G C 1.190 176.113 174.900 0.039 0.000 0.990 39 G CA 0.460 45.572 45.100 0.020 0.000 0.627 39 G HN 0.653 nan 8.290 nan 0.000 0.522 40 A N 1.317 124.180 122.820 0.071 0.000 1.858 40 A HA 0.236 4.558 4.320 0.002 0.000 0.216 40 A C 0.593 178.258 177.584 0.134 0.000 1.190 40 A CA 2.570 54.707 52.037 0.168 0.000 0.617 40 A CB -1.129 18.079 19.000 0.347 0.000 0.827 40 A HN 0.456 nan 8.150 nan 0.000 0.443 41 P HA -0.123 nan 4.420 nan 0.000 0.216 41 P C 0.904 178.151 177.300 -0.089 0.000 1.150 41 P CA 1.491 64.356 63.100 -0.391 0.000 0.837 41 P CB -0.033 31.313 31.700 -0.589 0.000 0.786 42 E N -0.802 119.366 120.200 -0.052 0.000 2.106 42 E HA -0.137 4.215 4.350 0.002 0.000 0.192 42 E C 1.812 178.434 176.600 0.036 0.000 0.984 42 E CA 0.589 56.985 56.400 -0.008 0.000 0.806 42 E CB -1.235 28.460 29.700 -0.008 0.000 0.750 42 E HN 0.114 nan 8.360 nan 0.000 0.458 43 L N 0.283 121.543 121.223 0.061 0.000 2.012 43 L HA -0.174 4.167 4.340 0.002 0.000 0.210 43 L C 1.802 178.743 176.870 0.117 0.000 1.073 43 L CA 1.681 56.578 54.840 0.095 0.000 0.748 43 L CB -0.420 41.711 42.059 0.121 0.000 0.891 43 L HN 0.162 nan 8.230 nan 0.000 0.431 44 L N -0.414 120.888 121.223 0.131 0.000 2.093 44 L HA -0.167 4.174 4.340 0.002 0.000 0.208 44 L C 2.561 179.517 176.870 0.142 0.000 1.085 44 L CA 1.640 56.583 54.840 0.171 0.000 0.755 44 L CB -1.271 40.952 42.059 0.273 0.000 0.904 44 L HN 0.469 nan 8.230 nan 0.000 0.435 45 E N -0.578 119.681 120.200 0.099 0.000 2.058 45 E HA -0.214 4.137 4.350 0.002 0.000 0.194 45 E C 2.274 178.912 176.600 0.063 0.000 0.997 45 E CA 0.895 57.336 56.400 0.068 0.000 0.801 45 E CB -0.005 29.715 29.700 0.034 0.000 0.746 45 E HN 0.332 nan 8.360 nan 0.000 0.450 46 R N 0.477 121.014 120.500 0.061 0.000 2.115 46 R HA -0.053 4.288 4.340 0.002 0.000 0.230 46 R C 2.459 178.795 176.300 0.060 0.000 1.111 46 R CA 0.639 56.770 56.100 0.052 0.000 0.976 46 R CB -0.537 29.790 30.300 0.045 0.000 0.870 46 R HN 0.270 nan 8.270 nan 0.000 0.445 47 L N 0.223 121.498 121.223 0.086 0.000 2.017 47 L HA -0.160 4.181 4.340 0.002 0.000 0.208 47 L C 2.627 179.542 176.870 0.075 0.000 1.073 47 L CA 1.402 56.296 54.840 0.091 0.000 0.745 47 L CB -0.627 41.520 42.059 0.147 0.000 0.894 47 L HN 0.156 nan 8.230 nan 0.000 0.432 48 A N -0.154 122.717 122.820 0.084 0.000 1.908 48 A HA -0.217 4.104 4.320 0.002 0.000 0.218 48 A C 2.368 179.982 177.584 0.050 0.000 1.181 48 A CA 1.494 53.573 52.037 0.071 0.000 0.627 48 A CB -0.484 18.563 19.000 0.079 0.000 0.818 48 A HN 0.319 nan 8.150 nan 0.000 0.445 49 R N -0.739 119.788 120.500 0.046 0.000 2.092 49 R HA -0.043 4.298 4.340 0.002 0.000 0.231 49 R C 2.206 178.523 176.300 0.027 0.000 1.119 49 R CA 1.077 57.197 56.100 0.033 0.000 0.970 49 R CB -0.443 29.874 30.300 0.029 0.000 0.864 49 R HN 0.496 nan 8.270 nan 0.000 0.440 50 A N 0.355 123.192 122.820 0.029 0.000 2.248 50 A HA 0.085 4.407 4.320 0.002 0.000 0.210 50 A C 1.371 178.965 177.584 0.017 0.000 1.174 50 A CA 0.959 53.008 52.037 0.020 0.000 0.750 50 A CB -0.409 18.602 19.000 0.019 0.000 0.780 50 A HN 0.491 nan 8.150 nan 0.000 0.478 51 G N -0.856 107.957 108.800 0.022 0.000 2.160 51 G HA2 -0.279 3.683 3.960 0.002 0.000 0.251 51 G HA3 -0.279 3.683 3.960 0.002 0.000 0.251 51 G C 0.074 174.983 174.900 0.016 0.000 1.008 51 G CA 0.685 45.797 45.100 0.020 0.000 0.724 51 G HN 0.603 nan 8.290 nan 0.000 0.514 52 K N 0.434 120.845 120.400 0.019 0.000 2.185 52 K HA 0.684 5.005 4.320 0.002 0.000 0.269 52 K C 0.740 177.346 176.600 0.010 0.000 0.987 52 K CA 0.027 56.318 56.287 0.007 0.000 0.865 52 K CB 1.533 34.034 32.500 0.002 0.000 1.090 52 K HN 0.471 nan 8.250 nan 0.000 0.450 53 A N 2.040 124.851 122.820 -0.015 0.000 2.407 53 A HA 0.565 4.887 4.320 0.002 0.000 0.248 53 A C -0.446 177.097 177.584 -0.067 0.000 1.082 53 A CA -0.211 51.805 52.037 -0.035 0.000 0.785 53 A CB 0.429 19.393 19.000 -0.059 0.000 1.020 53 A HN 0.733 nan 8.150 nan 0.000 0.489 54 A N 1.654 124.423 122.820 -0.086 0.000 2.393 54 A HA 0.739 5.060 4.320 0.002 0.000 0.306 54 A C -0.790 176.566 177.584 -0.380 0.000 1.050 54 A CA -0.410 51.522 52.037 -0.176 0.000 0.724 54 A CB 0.953 19.946 19.000 -0.012 0.000 1.248 54 A HN 0.834 nan 8.150 nan 0.000 0.424 55 L N 0.829 121.705 121.223 -0.578 0.000 2.376 55 L HA 0.717 5.058 4.340 0.002 0.000 0.258 55 L C -1.549 174.924 176.870 -0.662 0.000 1.013 55 L CA -0.521 54.024 54.840 -0.492 0.000 0.822 55 L CB 2.419 44.273 42.059 -0.342 0.000 1.388 55 L HN 0.718 nan 8.230 nan 0.000 0.413 56 F N 1.245 121.271 119.950 0.127 0.000 2.539 56 F HA 0.597 5.125 4.527 0.002 0.000 0.318 56 F C -0.313 175.616 175.800 0.215 0.000 1.135 56 F CA -0.888 57.215 58.000 0.172 0.000 0.915 56 F CB 2.100 41.156 39.000 0.093 0.000 1.176 56 F HN -0.025 nan 8.300 nan 0.000 0.440 57 V N 3.052 123.148 119.914 0.304 0.000 2.447 57 V HA 0.689 4.810 4.120 0.002 0.000 0.292 57 V C -1.182 174.991 176.094 0.131 0.000 1.021 57 V CA -0.026 62.397 62.300 0.205 0.000 0.850 57 V CB 1.575 33.452 31.823 0.090 0.000 1.005 57 V HN 0.753 nan 8.190 nan 0.000 0.426 58 S N 4.719 120.506 115.700 0.145 0.000 2.500 58 S HA 0.507 4.978 4.470 0.002 0.000 0.301 58 S C 0.557 175.184 174.600 0.044 0.000 1.092 58 S CA -0.681 57.570 58.200 0.084 0.000 1.030 58 S CB 1.622 64.903 63.200 0.136 0.000 1.031 58 S HN 0.821 nan 8.310 nan 0.000 0.483 59 N N 2.833 121.533 118.700 0.000 0.000 2.521 59 N HA 0.045 4.786 4.740 0.002 0.000 0.188 59 N C 0.003 175.512 175.510 -0.002 0.000 1.146 59 N CA 0.182 53.232 53.050 0.000 0.000 0.893 59 N CB -0.338 38.147 38.487 -0.003 0.000 0.975 59 N HN 0.522 nan 8.380 nan 0.000 0.451 60 N N 0.822 119.509 118.700 -0.021 0.000 2.438 60 N HA -0.036 4.705 4.740 0.002 0.000 0.267 60 N C 0.440 175.942 175.510 -0.014 0.000 1.222 60 N CA 0.248 53.255 53.050 -0.071 0.000 0.930 60 N CB 0.496 38.940 38.487 -0.071 0.000 1.083 60 N HN 0.103 nan 8.380 nan 0.000 0.476 61 S N 3.061 118.757 115.700 -0.008 0.000 2.597 61 S HA 0.182 4.654 4.470 0.002 0.000 0.224 61 S C 1.257 175.885 174.600 0.047 0.000 0.955 61 S CA -0.305 57.922 58.200 0.045 0.000 0.933 61 S CB 0.258 63.511 63.200 0.088 0.000 0.788 61 S HN 0.551 nan 8.310 nan 0.000 0.488 62 R N 1.147 121.645 120.500 -0.004 0.000 2.093 62 R HA 0.210 4.551 4.340 0.002 0.000 0.224 62 R C 0.452 176.762 176.300 0.017 0.000 1.101 62 R CA 0.654 56.761 56.100 0.011 0.000 0.979 62 R CB 0.036 30.298 30.300 -0.063 0.000 0.877 62 R HN 0.314 nan 8.270 nan 0.000 0.441 63 R N 0.597 121.102 120.500 0.008 0.000 2.445 63 R HA 0.448 4.789 4.340 0.002 0.000 0.308 63 R C -0.734 175.581 176.300 0.025 0.000 0.961 63 R CA -0.536 55.571 56.100 0.012 0.000 0.862 63 R CB 1.952 32.253 30.300 0.001 0.000 1.144 63 R HN 0.069 nan 8.270 nan 0.000 0.447 64 A N 1.997 124.830 122.820 0.021 0.000 2.386 64 A HA 0.085 4.406 4.320 0.002 0.000 0.246 64 A C 1.211 178.803 177.584 0.014 0.000 1.089 64 A CA -0.103 51.945 52.037 0.019 0.000 0.790 64 A CB 0.364 19.373 19.000 0.014 0.000 1.042 64 A HN 0.944 nan 8.150 nan 0.000 0.497 65 R N 0.295 120.797 120.500 0.003 0.000 2.103 65 R HA -0.128 4.213 4.340 0.002 0.000 0.242 65 R C -0.879 175.417 176.300 -0.007 0.000 1.142 65 R CA 2.237 58.330 56.100 -0.011 0.000 0.960 65 R CB -1.137 29.136 30.300 -0.045 0.000 0.858 65 R HN 0.609 nan 8.270 nan 0.000 0.439 66 P HA -0.117 nan 4.420 nan 0.000 0.217 66 P C 0.468 177.770 177.300 0.003 0.000 1.150 66 P CA 1.280 64.377 63.100 -0.005 0.000 0.832 66 P CB 0.113 31.810 31.700 -0.005 0.000 0.787 67 E N -0.972 119.230 120.200 0.004 0.000 2.152 67 E HA -0.103 4.248 4.350 0.002 0.000 0.192 67 E C 1.783 178.389 176.600 0.010 0.000 0.983 67 E CA 0.472 56.872 56.400 -0.001 0.000 0.818 67 E CB -1.151 28.544 29.700 -0.007 0.000 0.758 67 E HN 0.076 nan 8.360 nan 0.000 0.467 68 L N 0.626 121.872 121.223 0.039 0.000 2.046 68 L HA -0.113 4.228 4.340 0.002 0.000 0.208 68 L C 2.030 179.020 176.870 0.200 0.000 1.077 68 L CA 2.099 57.006 54.840 0.112 0.000 0.747 68 L CB -0.916 41.227 42.059 0.140 0.000 0.896 68 L HN 0.120 nan 8.230 nan 0.000 0.432 69 A N -0.628 122.253 122.820 0.102 0.000 1.902 69 A HA -0.179 4.143 4.320 0.002 0.000 0.217 69 A C 2.285 179.927 177.584 0.098 0.000 1.181 69 A CA 1.947 54.029 52.037 0.075 0.000 0.623 69 A CB -0.897 18.099 19.000 -0.007 0.000 0.818 69 A HN 0.504 nan 8.150 nan 0.000 0.443 70 L N -1.073 120.179 121.223 0.048 0.000 2.042 70 L HA -0.217 4.124 4.340 0.002 0.000 0.210 70 L C 2.812 179.682 176.870 0.001 0.000 1.076 70 L CA 1.885 56.736 54.840 0.018 0.000 0.749 70 L CB -0.461 41.592 42.059 -0.009 0.000 0.893 70 L HN 0.501 nan 8.230 nan 0.000 0.432 71 R N -0.143 120.339 120.500 -0.030 0.000 2.081 71 R HA -0.192 4.149 4.340 0.002 0.000 0.235 71 R C 2.346 178.523 176.300 -0.204 0.000 1.131 71 R CA 1.619 57.605 56.100 -0.191 0.000 0.960 71 R CB -0.342 29.766 30.300 -0.320 0.000 0.856 71 R HN 0.121 nan 8.270 nan 0.000 0.436 72 F N 0.725 120.612 119.950 -0.105 0.000 2.095 72 F HA -0.202 4.326 4.527 0.002 0.000 0.298 72 F C 2.622 178.499 175.800 0.129 0.000 1.104 72 F CA 1.632 59.658 58.000 0.045 0.000 1.232 72 F CB -0.554 38.419 39.000 -0.044 0.000 0.987 72 F HN 0.204 nan 8.300 nan 0.000 0.475 73 A N -0.027 122.932 122.820 0.232 0.000 1.883 73 A HA -0.264 4.057 4.320 0.002 0.000 0.217 73 A C 2.244 179.864 177.584 0.061 0.000 1.186 73 A CA 1.976 54.090 52.037 0.127 0.000 0.624 73 A CB -0.915 18.125 19.000 0.066 0.000 0.822 73 A HN 0.362 nan 8.150 nan 0.000 0.444 74 R N -0.723 119.784 120.500 0.011 0.000 2.127 74 R HA -0.062 4.279 4.340 0.002 0.000 0.238 74 R C 1.251 177.523 176.300 -0.046 0.000 1.134 74 R CA 1.239 57.315 56.100 -0.040 0.000 0.975 74 R CB -0.198 30.050 30.300 -0.087 0.000 0.865 74 R HN 0.406 nan 8.270 nan 0.000 0.447 75 L N -0.306 120.912 121.223 -0.009 0.000 2.591 75 L HA 0.166 4.507 4.340 0.002 0.000 0.228 75 L C 1.150 177.992 176.870 -0.046 0.000 1.133 75 L CA 1.451 56.316 54.840 0.042 0.000 0.880 75 L CB 0.094 42.240 42.059 0.145 0.000 1.033 75 L HN 0.672 nan 8.230 nan 0.000 0.450 76 G N -0.548 108.189 108.800 -0.104 0.000 2.184 76 G HA2 -0.259 3.703 3.960 0.002 0.000 0.206 76 G HA3 -0.259 3.703 3.960 0.002 0.000 0.206 76 G C 0.057 174.701 174.900 -0.427 0.000 0.995 76 G CA -0.565 44.352 45.100 -0.305 0.000 0.651 76 G HN 0.211 nan 8.290 nan 0.000 0.511 77 F N 2.559 122.551 119.950 0.071 0.000 2.384 77 F HA 0.583 5.111 4.527 0.002 0.000 0.359 77 F C 1.281 177.115 175.800 0.056 0.000 1.143 77 F CA -0.182 57.869 58.000 0.085 0.000 1.216 77 F CB 0.892 39.995 39.000 0.172 0.000 1.512 77 F HN 0.238 nan 8.300 nan 0.000 0.573 78 G N -0.004 108.858 108.800 0.104 0.000 2.528 78 G HA2 0.453 4.414 3.960 0.002 0.000 0.289 78 G HA3 0.453 4.414 3.960 0.002 0.000 0.289 78 G C 0.838 175.779 174.900 0.069 0.000 1.192 78 G CA -0.234 44.907 45.100 0.068 0.000 0.921 78 G HN 0.976 nan 8.290 nan 0.000 0.512 79 G N -1.370 107.458 108.800 0.046 0.000 2.168 79 G HA2 -0.246 3.716 3.960 0.002 0.000 0.263 79 G HA3 -0.246 3.716 3.960 0.002 0.000 0.263 79 G C 0.423 175.348 174.900 0.042 0.000 0.977 79 G CA 0.529 45.654 45.100 0.042 0.000 0.659 79 G HN 0.647 nan 8.290 nan 0.000 0.533 80 L N 0.226 121.463 121.223 0.023 0.000 2.371 80 L HA 0.470 4.811 4.340 0.002 0.000 0.272 80 L C 1.234 178.091 176.870 -0.022 0.000 1.124 80 L CA -0.692 54.141 54.840 -0.011 0.000 0.816 80 L CB 0.683 42.655 42.059 -0.144 0.000 1.129 80 L HN 0.115 nan 8.230 nan 0.000 0.448 81 R N 1.443 121.945 120.500 0.003 0.000 2.357 81 R HA 0.301 4.642 4.340 0.002 0.000 0.296 81 R C 0.930 177.209 176.300 -0.036 0.000 1.052 81 R CA -0.181 55.923 56.100 0.007 0.000 0.988 81 R CB 1.291 31.627 30.300 0.060 0.000 1.025 81 R HN 0.818 nan 8.270 nan 0.000 0.469 82 A N 2.780 125.569 122.820 -0.051 0.000 2.032 82 A HA -0.215 4.106 4.320 0.002 0.000 0.221 82 A C 1.492 179.007 177.584 -0.114 0.000 1.165 82 A CA 1.558 53.538 52.037 -0.095 0.000 0.645 82 A CB -0.218 18.740 19.000 -0.071 0.000 0.807 82 A HN 0.763 nan 8.150 nan 0.000 0.453 83 E N -0.133 120.053 120.200 -0.024 0.000 2.338 83 E HA -0.123 4.229 4.350 0.002 0.000 0.197 83 E C 1.843 178.534 176.600 0.151 0.000 1.007 83 E CA 0.933 57.365 56.400 0.053 0.000 0.849 83 E CB -0.195 29.619 29.700 0.189 0.000 0.774 83 E HN 0.777 nan 8.360 nan 0.000 0.506 84 Q N -0.341 119.501 119.800 0.070 0.000 2.403 84 Q HA 0.132 4.473 4.340 0.002 0.000 0.203 84 Q C -0.236 175.816 176.000 0.088 0.000 0.932 84 Q CA 0.188 56.041 55.803 0.083 0.000 0.945 84 Q CB 0.320 29.142 28.738 0.140 0.000 1.045 84 Q HN 0.236 nan 8.270 nan 0.000 0.511 85 L N 0.848 121.948 121.223 -0.206 0.000 2.280 85 L HA 0.465 4.806 4.340 0.002 0.000 0.287 85 L C -0.851 175.790 176.870 -0.380 0.000 1.023 85 L CA -0.564 54.166 54.840 -0.184 0.000 0.819 85 L CB 0.647 42.540 42.059 -0.276 0.000 1.212 85 L HN -0.067 nan 8.230 nan 0.000 0.420 86 F N 1.331 121.347 119.950 0.111 0.000 2.467 86 F HA 0.538 5.066 4.527 0.002 0.000 0.336 86 F C 0.487 176.347 175.800 0.101 0.000 1.123 86 F CA -0.473 57.583 58.000 0.094 0.000 0.964 86 F CB 2.307 41.348 39.000 0.069 0.000 1.136 86 F HN 0.471 nan 8.300 nan 0.000 0.447 87 S N -0.073 115.748 115.700 0.202 0.000 2.638 87 S HA 0.392 4.863 4.470 0.002 0.000 0.302 87 S C 0.725 175.410 174.600 0.142 0.000 1.096 87 S CA -0.075 58.216 58.200 0.152 0.000 0.953 87 S CB 1.496 64.762 63.200 0.110 0.000 1.107 87 S HN 0.638 nan 8.310 nan 0.000 0.503 88 S N 0.736 116.498 115.700 0.103 0.000 2.447 88 S HA -0.021 4.450 4.470 0.002 0.000 0.233 88 S C 1.899 176.561 174.600 0.105 0.000 1.006 88 S CA 0.684 58.945 58.200 0.102 0.000 0.957 88 S CB -1.052 62.191 63.200 0.071 0.000 0.773 88 S HN 1.139 nan 8.310 nan 0.000 0.507 89 A N 2.082 124.955 122.820 0.089 0.000 1.873 89 A HA 0.106 4.427 4.320 0.002 0.000 0.215 89 A C 2.219 179.855 177.584 0.088 0.000 1.186 89 A CA 1.503 53.587 52.037 0.078 0.000 0.616 89 A CB -0.962 18.075 19.000 0.062 0.000 0.823 89 A HN 0.538 nan 8.150 nan 0.000 0.442 90 L N -0.293 120.987 121.223 0.096 0.000 2.046 90 L HA -0.175 4.166 4.340 0.002 0.000 0.208 90 L C 2.365 179.328 176.870 0.155 0.000 1.077 90 L CA 2.372 57.273 54.840 0.102 0.000 0.747 90 L CB -0.610 41.496 42.059 0.079 0.000 0.896 90 L HN 0.458 nan 8.230 nan 0.000 0.432 91 c N -0.680 118.041 118.600 0.203 0.000 2.464 91 c HA 0.133 4.705 4.570 0.002 0.000 0.278 91 c C 2.956 177.213 174.090 0.279 0.000 1.375 91 c CA 0.267 56.768 56.329 0.287 0.000 1.761 91 c CB -1.472 41.225 42.510 0.311 0.000 1.944 91 c HN 0.702 nan 8.230 nan 0.000 0.509 92 A N 0.923 123.845 122.820 0.170 0.000 1.930 92 A HA 0.086 4.408 4.320 0.002 0.000 0.217 92 A C 2.368 179.996 177.584 0.073 0.000 1.175 92 A CA 1.924 54.016 52.037 0.093 0.000 0.627 92 A CB -0.791 18.250 19.000 0.068 0.000 0.815 92 A HN 0.534 nan 8.150 nan 0.000 0.443 93 A N -0.055 122.816 122.820 0.086 0.000 1.902 93 A HA -0.167 4.154 4.320 0.002 0.000 0.217 93 A C 2.263 179.894 177.584 0.078 0.000 1.181 93 A CA 1.523 53.600 52.037 0.067 0.000 0.623 93 A CB -0.462 18.575 19.000 0.062 0.000 0.818 93 A HN 0.553 nan 8.150 nan 0.000 0.443 94 R N -0.949 119.625 120.500 0.123 0.000 2.073 94 R HA -0.056 4.285 4.340 0.002 0.000 0.234 94 R C 2.260 178.648 176.300 0.147 0.000 1.134 94 R CA 1.413 57.604 56.100 0.151 0.000 0.952 94 R CB -0.637 29.787 30.300 0.207 0.000 0.850 94 R HN 0.574 nan 8.270 nan 0.000 0.433 95 L N 1.155 122.454 121.223 0.127 0.000 2.042 95 L HA -0.190 4.151 4.340 0.002 0.000 0.210 95 L C 2.112 178.948 176.870 -0.056 0.000 1.076 95 L CA 1.435 56.224 54.840 -0.085 0.000 0.749 95 L CB -0.144 41.639 42.059 -0.461 0.000 0.893 95 L HN 0.168 nan 8.230 nan 0.000 0.432 96 L N -0.868 120.342 121.223 -0.021 0.000 2.056 96 L HA -0.160 4.181 4.340 0.002 0.000 0.207 96 L C 2.802 179.676 176.870 0.007 0.000 1.078 96 L CA 0.598 55.431 54.840 -0.011 0.000 0.749 96 L CB -0.608 41.452 42.059 0.001 0.000 0.901 96 L HN 0.220 nan 8.230 nan 0.000 0.433 97 R N 0.475 120.990 120.500 0.025 0.000 2.105 97 R HA -0.175 4.166 4.340 0.002 0.000 0.239 97 R C 2.152 178.470 176.300 0.029 0.000 1.135 97 R CA 1.575 57.693 56.100 0.029 0.000 0.967 97 R CB -0.414 29.911 30.300 0.041 0.000 0.861 97 R HN 0.520 nan 8.270 nan 0.000 0.442 98 Q N -0.975 118.846 119.800 0.036 0.000 2.245 98 Q HA 0.020 4.362 4.340 0.002 0.000 0.201 98 Q C 1.463 177.474 176.000 0.018 0.000 0.955 98 Q CA 0.959 56.785 55.803 0.039 0.000 0.870 98 Q CB 0.268 29.049 28.738 0.072 0.000 0.945 98 Q HN 0.212 nan 8.270 nan 0.000 0.461 99 R N -0.723 119.776 120.500 -0.001 0.000 2.487 99 R HA 0.177 4.518 4.340 0.002 0.000 0.272 99 R C -0.400 175.895 176.300 -0.008 0.000 0.928 99 R CA -0.352 55.742 56.100 -0.011 0.000 1.077 99 R CB 0.533 30.810 30.300 -0.039 0.000 1.265 99 R HN 0.058 nan 8.270 nan 0.000 0.537 100 L N 4.203 125.423 121.223 -0.004 0.000 2.559 100 L HA 0.075 4.416 4.340 0.002 0.000 0.274 100 L C -1.898 174.973 176.870 0.001 0.000 1.205 100 L CA -1.094 53.745 54.840 -0.001 0.000 0.907 100 L CB 0.279 42.339 42.059 0.002 0.000 1.153 100 L HN -0.023 nan 8.230 nan 0.000 0.490 101 P HA 0.583 nan 4.420 nan 0.000 0.302 101 P C -0.432 176.870 177.300 0.003 0.000 1.307 101 P CA -0.129 62.972 63.100 0.003 0.000 0.754 101 P CB 0.610 32.312 31.700 0.003 0.000 1.298 102 G N -1.263 107.540 108.800 0.004 0.000 2.629 102 G HA2 0.025 3.986 3.960 0.002 0.000 0.686 102 G HA3 0.025 3.986 3.960 0.002 0.000 0.686 102 G C -3.053 171.850 174.900 0.005 0.000 1.232 102 G CA -0.927 44.176 45.100 0.004 0.000 0.803 102 G HN 0.519 nan 8.290 nan 0.000 0.638 103 P HA 0.286 nan 4.420 nan 0.000 0.270 103 P C -1.137 176.166 177.300 0.005 0.000 1.223 103 P CA -0.897 62.206 63.100 0.005 0.000 0.785 103 P CB 0.325 32.028 31.700 0.005 0.000 0.923 104 P HA 0.057 nan 4.420 nan 0.000 0.229 104 P C 0.067 177.370 177.300 0.005 0.000 1.160 104 P CA 1.320 64.423 63.100 0.006 0.000 0.777 104 P CB -0.155 31.548 31.700 0.006 0.000 0.814 109 A N -1.099 121.714 122.820 -0.013 0.000 2.330 109 A HA 0.832 5.154 4.320 0.002 0.000 0.329 109 A C -0.708 176.867 177.584 -0.015 0.000 1.135 109 A CA -0.597 51.433 52.037 -0.012 0.000 0.817 109 A CB 1.846 20.839 19.000 -0.012 0.000 1.269 109 A HN 1.437 nan 8.150 nan 0.000 0.469 110 V N 1.504 121.418 119.914 -0.001 0.000 2.370 110 V HA 0.327 4.448 4.120 0.002 0.000 0.283 110 V C -0.671 175.444 176.094 0.035 0.000 1.023 110 V CA -0.254 62.053 62.300 0.013 0.000 0.857 110 V CB 0.989 32.816 31.823 0.007 0.000 0.985 110 V HN 0.738 nan 8.190 nan 0.000 0.443 111 F N 6.250 126.137 119.950 -0.105 0.000 2.421 111 F HA 0.577 5.104 4.527 0.000 0.000 0.358 111 F C -0.115 175.682 175.800 -0.005 0.000 1.115 111 F CA -0.201 57.751 58.000 -0.080 0.000 1.160 111 F CB 0.948 39.867 39.000 -0.135 0.000 1.123 111 F HN 0.267 nan 8.300 nan 0.000 0.508 112 V N 8.001 127.597 119.914 -0.530 0.000 2.417 112 V HA 0.296 4.417 4.120 0.002 0.000 0.291 112 V C -0.106 175.719 176.094 -0.449 0.000 1.024 112 V CA -0.863 61.240 62.300 -0.329 0.000 0.861 112 V CB 1.571 33.290 31.823 -0.174 0.000 0.985 112 V HN 0.594 nan 8.190 nan 0.000 0.436 113 L N 5.535 126.637 121.223 -0.201 0.000 2.270 113 L HA 0.838 5.179 4.340 0.002 0.000 0.286 113 L C 0.665 177.540 176.870 0.009 0.000 1.059 113 L CA 0.201 55.005 54.840 -0.060 0.000 0.839 113 L CB 0.720 42.860 42.059 0.135 0.000 1.221 113 L HN 0.900 nan 8.230 nan 0.000 0.431 114 G N 1.493 110.295 108.800 0.003 0.000 2.322 114 G HA2 0.436 4.397 3.960 0.002 0.000 0.295 114 G HA3 0.436 4.397 3.960 0.002 0.000 0.295 114 G C -0.931 174.002 174.900 0.056 0.000 1.369 114 G CA -0.173 44.952 45.100 0.042 0.000 0.821 114 G HN 0.599 nan 8.290 nan 0.000 0.536 115 G N -1.377 107.477 108.800 0.090 0.000 2.532 115 G HA2 0.509 4.471 3.960 0.002 0.000 0.291 115 G HA3 0.509 4.471 3.960 0.002 0.000 0.291 115 G C 0.514 175.454 174.900 0.067 0.000 1.349 115 G CA -0.003 45.159 45.100 0.104 0.000 1.038 115 G HN 0.439 nan 8.290 nan 0.000 0.518 116 E N -0.049 120.190 120.200 0.064 0.000 2.208 116 E HA -0.056 4.295 4.350 0.002 0.000 0.193 116 E C 2.538 179.158 176.600 0.033 0.000 0.988 116 E CA 0.993 57.416 56.400 0.038 0.000 0.828 116 E CB -0.455 29.265 29.700 0.033 0.000 0.763 116 E HN 0.494 nan 8.360 nan 0.000 0.478 117 G N 1.442 110.266 108.800 0.041 0.000 2.402 117 G HA2 -0.224 3.737 3.960 0.002 0.000 0.216 117 G HA3 -0.224 3.737 3.960 0.002 0.000 0.216 117 G C 1.618 176.538 174.900 0.034 0.000 1.162 117 G CA 0.624 45.744 45.100 0.033 0.000 0.777 117 G HN 0.227 nan 8.290 nan 0.000 0.539 118 L N 0.679 121.929 121.223 0.044 0.000 2.017 118 L HA 0.048 4.390 4.340 0.002 0.000 0.208 118 L C 2.891 179.777 176.870 0.026 0.000 1.073 118 L CA 1.740 56.605 54.840 0.042 0.000 0.745 118 L CB -0.612 41.478 42.059 0.051 0.000 0.894 118 L HN 0.132 nan 8.230 nan 0.000 0.432 119 R N -0.673 119.838 120.500 0.018 0.000 2.091 119 R HA -0.139 4.202 4.340 0.002 0.000 0.238 119 R C 2.244 178.549 176.300 0.008 0.000 1.136 119 R CA 1.298 57.401 56.100 0.005 0.000 0.959 119 R CB -0.673 29.624 30.300 -0.004 0.000 0.856 119 R HN 0.545 nan 8.270 nan 0.000 0.437 120 A N 0.996 123.824 122.820 0.013 0.000 1.908 120 A HA -0.235 4.086 4.320 0.002 0.000 0.218 120 A C 2.025 179.618 177.584 0.014 0.000 1.181 120 A CA 1.686 53.730 52.037 0.011 0.000 0.627 120 A CB -0.377 18.630 19.000 0.012 0.000 0.818 120 A HN 0.234 nan 8.150 nan 0.000 0.445 121 E N 0.059 120.271 120.200 0.019 0.000 2.077 121 E HA -0.116 4.235 4.350 0.002 0.000 0.193 121 E C 1.872 178.487 176.600 0.025 0.000 0.989 121 E CA 1.208 57.622 56.400 0.023 0.000 0.800 121 E CB -0.353 29.366 29.700 0.032 0.000 0.746 121 E HN 0.622 nan 8.360 nan 0.000 0.452 122 L N -0.200 121.036 121.223 0.022 0.000 2.056 122 L HA -0.119 4.222 4.340 0.002 0.000 0.207 122 L C 2.627 179.507 176.870 0.015 0.000 1.078 122 L CA 1.307 56.159 54.840 0.020 0.000 0.749 122 L CB -0.378 41.688 42.059 0.013 0.000 0.901 122 L HN 0.048 nan 8.230 nan 0.000 0.433 123 R N 0.047 120.553 120.500 0.011 0.000 2.092 123 R HA -0.078 4.263 4.340 0.002 0.000 0.231 123 R C 2.400 178.706 176.300 0.010 0.000 1.119 123 R CA 1.161 57.266 56.100 0.008 0.000 0.970 123 R CB -0.424 29.879 30.300 0.005 0.000 0.864 123 R HN 0.344 nan 8.270 nan 0.000 0.440 124 A N 1.028 123.855 122.820 0.011 0.000 2.070 124 A HA -0.048 4.273 4.320 0.002 0.000 0.220 124 A C 2.081 179.674 177.584 0.014 0.000 1.159 124 A CA 1.561 53.604 52.037 0.011 0.000 0.656 124 A CB -0.253 18.752 19.000 0.009 0.000 0.800 124 A HN 0.364 nan 8.150 nan 0.000 0.453 125 A N -1.883 120.949 122.820 0.020 0.000 2.251 125 A HA 0.435 4.756 4.320 0.002 0.000 0.209 125 A C 1.640 179.237 177.584 0.021 0.000 1.187 125 A CA 1.067 53.119 52.037 0.025 0.000 0.823 125 A CB -0.793 18.228 19.000 0.036 0.000 0.846 125 A HN 1.818 nan 8.150 nan 0.000 0.486 126 G N -1.162 107.647 108.800 0.015 0.000 2.132 126 G HA2 -0.189 3.772 3.960 0.002 0.000 0.234 126 G HA3 -0.189 3.772 3.960 0.002 0.000 0.234 126 G C -0.015 174.891 174.900 0.012 0.000 0.989 126 G CA 0.193 45.300 45.100 0.013 0.000 0.676 126 G HN 0.412 nan 8.290 nan 0.000 0.522 127 L N -0.092 121.139 121.223 0.012 0.000 2.350 127 L HA 0.689 5.030 4.340 0.002 0.000 0.275 127 L C 0.908 177.782 176.870 0.006 0.000 1.099 127 L CA -1.115 53.731 54.840 0.010 0.000 0.808 127 L CB 1.063 43.128 42.059 0.011 0.000 1.149 127 L HN 0.104 nan 8.230 nan 0.000 0.442 128 R N 2.515 123.018 120.500 0.005 0.000 2.349 128 R HA 0.589 4.930 4.340 0.002 0.000 0.299 128 R C -1.168 175.132 176.300 0.001 0.000 1.027 128 R CA -0.217 55.884 56.100 0.003 0.000 0.958 128 R CB 0.634 30.937 30.300 0.004 0.000 1.047 128 R HN 0.473 nan 8.270 nan 0.000 0.468 129 L N 3.021 124.243 121.223 -0.001 0.000 2.325 129 L HA 0.616 4.957 4.340 0.002 0.000 0.278 129 L C 0.217 177.090 176.870 0.005 0.000 1.023 129 L CA -1.462 53.375 54.840 -0.006 0.000 0.811 129 L CB 1.848 43.896 42.059 -0.018 0.000 1.249 129 L HN 0.725 nan 8.230 nan 0.000 0.431 130 A N 1.510 124.341 122.820 0.019 0.000 2.511 130 A HA 0.443 4.765 4.320 0.002 0.000 0.242 130 A C 1.205 178.824 177.584 0.058 0.000 1.069 130 A CA 0.749 52.824 52.037 0.063 0.000 0.763 130 A CB -0.071 19.031 19.000 0.168 0.000 1.001 130 A HN 1.168 nan 8.150 nan 0.000 0.498 131 G N 1.859 110.697 108.800 0.064 0.000 2.234 131 G HA2 -0.221 3.741 3.960 0.002 0.000 0.260 131 G HA3 -0.221 3.741 3.960 0.002 0.000 0.260 131 G C 0.124 175.036 174.900 0.021 0.000 0.987 131 G CA 0.420 45.549 45.100 0.048 0.000 0.625 131 G HN 0.859 nan 8.290 nan 0.000 0.532 132 D N 2.200 122.608 120.400 0.014 0.000 2.390 132 D HA 0.401 5.042 4.640 0.002 0.000 0.236 132 D C -1.322 174.986 176.300 0.012 0.000 1.189 132 D CA -0.408 53.596 54.000 0.008 0.000 0.887 132 D CB 0.690 41.494 40.800 0.006 0.000 1.198 132 D HN 0.278 nan 8.370 nan 0.000 0.444 133 P HA 0.107 nan 4.420 nan 0.000 0.275 133 P C -0.527 176.780 177.300 0.011 0.000 1.227 133 P CA -0.349 62.757 63.100 0.010 0.000 0.781 133 P CB 0.735 32.439 31.700 0.007 0.000 0.906 134 S N 0.626 116.333 115.700 0.013 0.000 2.614 134 S HA 0.456 4.927 4.470 0.002 0.000 0.265 134 S C 0.384 174.990 174.600 0.009 0.000 1.303 134 S CA -0.447 57.760 58.200 0.012 0.000 1.000 134 S CB 0.465 63.673 63.200 0.014 0.000 0.935 134 S HN 0.664 nan 8.310 nan 0.000 0.551 135 A N 1.549 124.374 122.820 0.008 0.000 2.366 135 A HA 0.604 4.925 4.320 0.002 0.000 0.272 135 A C 1.293 178.881 177.584 0.007 0.000 1.135 135 A CA 0.043 52.084 52.037 0.007 0.000 0.804 135 A CB -0.894 18.110 19.000 0.006 0.000 1.064 135 A HN 1.329 nan 8.150 nan 0.000 0.499 136 G N 2.650 111.454 108.800 0.006 0.000 2.684 136 G HA2 -0.361 3.600 3.960 0.002 0.000 0.342 136 G HA3 -0.361 3.600 3.960 0.002 0.000 0.342 136 G C 0.076 174.980 174.900 0.006 0.000 1.316 136 G CA 1.264 46.367 45.100 0.005 0.000 0.994 136 G HN 1.608 nan 8.290 nan 0.000 0.541 137 D N -0.038 120.365 120.400 0.006 0.000 2.980 137 D HA 0.538 5.179 4.640 0.002 0.000 0.333 137 D C 0.619 176.923 176.300 0.007 0.000 1.356 137 D CA 0.505 54.509 54.000 0.007 0.000 0.847 137 D CB 0.303 41.107 40.800 0.006 0.000 1.122 137 D HN 0.687 nan 8.370 nan 0.000 0.475 138 G N -0.248 108.556 108.800 0.008 0.000 2.535 138 G HA2 0.560 4.521 3.960 0.002 0.000 0.303 138 G HA3 0.560 4.521 3.960 0.002 0.000 0.303 138 G C 0.078 174.984 174.900 0.010 0.000 1.237 138 G CA -0.799 44.306 45.100 0.008 0.000 0.986 138 G HN 0.455 nan 8.290 nan 0.000 0.494 139 A N -0.572 122.254 122.820 0.010 0.000 2.483 139 A HA 0.556 4.877 4.320 0.002 0.000 0.238 139 A C 1.066 178.659 177.584 0.015 0.000 1.070 139 A CA 0.451 52.496 52.037 0.013 0.000 0.770 139 A CB -0.223 18.784 19.000 0.012 0.000 1.008 139 A HN 1.883 nan 8.150 nan 0.000 0.497 140 A N 3.327 126.159 122.820 0.020 0.000 2.498 140 A HA 0.504 4.825 4.320 0.002 0.000 0.239 140 A C -1.541 176.054 177.584 0.019 0.000 1.068 140 A CA -0.804 51.247 52.037 0.023 0.000 0.766 140 A CB -0.714 18.307 19.000 0.034 0.000 1.003 140 A HN 0.764 nan 8.150 nan 0.000 0.497 141 P HA 0.120 nan 4.420 nan 0.000 0.269 141 P C -0.148 177.154 177.300 0.003 0.000 1.215 141 P CA -0.335 62.770 63.100 0.008 0.000 0.780 141 P CB 0.378 32.080 31.700 0.004 0.000 0.898 142 R N 1.460 121.961 120.500 0.002 0.000 2.538 142 R HA 0.152 4.493 4.340 0.002 0.000 0.282 142 R C -0.571 175.711 176.300 -0.029 0.000 1.009 142 R CA -0.187 55.911 56.100 -0.003 0.000 1.063 142 R CB 0.069 30.370 30.300 0.003 0.000 0.945 142 R HN 0.234 nan 8.270 nan 0.000 0.414 143 V N 7.022 126.896 119.914 -0.068 0.000 2.455 143 V HA 0.143 4.264 4.120 0.002 0.000 0.273 143 V C 1.101 177.150 176.094 -0.074 0.000 1.045 143 V CA 0.155 62.367 62.300 -0.146 0.000 0.976 143 V CB 1.172 32.695 31.823 -0.500 0.000 0.993 143 V HN 0.868 nan 8.190 nan 0.000 0.475 144 R N 3.076 123.551 120.500 -0.041 0.000 2.437 144 R HA 0.564 4.906 4.340 0.002 0.000 0.257 144 R C 0.175 176.474 176.300 -0.002 0.000 0.927 144 R CA 0.231 56.322 56.100 -0.013 0.000 1.078 144 R CB 1.144 31.440 30.300 -0.006 0.000 1.161 144 R HN 0.681 nan 8.270 nan 0.000 0.529 145 A N 0.534 123.354 122.820 -0.000 0.000 2.574 145 A HA 0.543 4.865 4.320 0.002 0.000 0.297 145 A C -1.156 176.466 177.584 0.063 0.000 1.062 145 A CA -0.492 51.560 52.037 0.025 0.000 0.686 145 A CB 1.977 20.988 19.000 0.018 0.000 1.285 145 A HN -0.044 nan 8.150 nan 0.000 0.403 146 V N 2.098 122.072 119.914 0.099 0.000 2.398 146 V HA 0.525 4.646 4.120 0.002 0.000 0.286 146 V C -0.756 175.415 176.094 0.127 0.000 1.026 146 V CA -0.424 61.988 62.300 0.187 0.000 0.868 146 V CB 1.277 33.236 31.823 0.228 0.000 0.982 146 V HN 0.799 nan 8.190 nan 0.000 0.443 147 L N 7.146 128.434 121.223 0.109 0.000 2.305 147 L HA 0.632 4.973 4.340 0.002 0.000 0.284 147 L C -0.443 176.470 176.870 0.072 0.000 1.013 147 L CA 0.035 54.914 54.840 0.066 0.000 0.819 147 L CB 1.716 43.795 42.059 0.033 0.000 1.227 147 L HN 0.432 nan 8.230 nan 0.000 0.417 148 V N 5.786 125.749 119.914 0.081 0.000 2.364 148 V HA 0.809 4.931 4.120 0.002 0.000 0.272 148 V C 0.739 176.874 176.094 0.069 0.000 1.036 148 V CA 0.050 62.402 62.300 0.086 0.000 0.880 148 V CB 0.394 32.270 31.823 0.088 0.000 0.991 148 V HN 0.922 nan 8.190 nan 0.000 0.460 149 G N 2.507 111.350 108.800 0.071 0.000 3.175 149 G HA2 0.462 4.424 3.960 0.002 0.000 0.255 149 G HA3 0.462 4.424 3.960 0.002 0.000 0.255 149 G C -1.382 173.589 174.900 0.118 0.000 1.352 149 G CA -0.829 44.329 45.100 0.095 0.000 1.037 149 G HN 0.516 nan 8.290 nan 0.000 0.556 150 Y N 1.157 121.476 120.300 0.031 0.000 2.537 150 Y HA 0.411 4.963 4.550 0.003 0.000 0.339 150 Y C -0.604 175.318 175.900 0.037 0.000 1.066 150 Y CA -0.263 57.855 58.100 0.029 0.000 1.357 150 Y CB 0.882 39.358 38.460 0.026 0.000 1.175 150 Y HN 0.288 nan 8.280 nan 0.000 0.525 151 D N 5.648 125.823 120.400 -0.375 0.000 2.420 151 D HA 0.148 4.789 4.640 0.002 0.000 0.255 151 D C 0.069 176.182 176.300 -0.312 0.000 1.185 151 D CA -0.302 53.589 54.000 -0.183 0.000 0.904 151 D CB 0.753 41.586 40.800 0.056 0.000 1.102 151 D HN 0.777 nan 8.370 nan 0.000 0.534 152 E N 1.100 121.053 120.200 -0.410 0.000 2.478 152 E HA -0.085 4.266 4.350 0.002 0.000 0.198 152 E C 0.368 176.686 176.600 -0.469 0.000 1.046 152 E CA 0.529 56.659 56.400 -0.450 0.000 0.870 152 E CB 0.302 29.756 29.700 -0.409 0.000 0.818 152 E HN 0.518 nan 8.360 nan 0.000 0.527 153 H N -0.931 118.143 119.070 0.006 0.000 2.486 153 H HA 0.075 4.633 4.556 0.003 0.000 0.284 153 H C -0.179 175.190 175.328 0.068 0.000 1.103 153 H CA -0.443 55.625 56.048 0.034 0.000 1.089 153 H CB -0.354 29.416 29.762 0.013 0.000 1.603 153 H HN 0.072 nan 8.280 nan 0.000 0.557 154 F N 3.439 123.388 119.950 -0.001 0.000 2.629 154 F HA 0.091 4.619 4.527 0.003 0.000 0.369 154 F C 0.666 176.498 175.800 0.053 0.000 1.125 154 F CA 0.107 58.115 58.000 0.013 0.000 1.330 154 F CB 0.586 39.568 39.000 -0.030 0.000 1.071 154 F HN 0.067 nan 8.300 nan 0.000 0.595 155 S N 5.280 120.652 115.700 -0.546 0.000 2.607 155 S HA 0.335 4.806 4.470 0.002 0.000 0.273 155 S C 0.199 174.569 174.600 -0.385 0.000 1.148 155 S CA -0.794 57.250 58.200 -0.260 0.000 0.833 155 S CB 0.808 63.962 63.200 -0.077 0.000 1.130 155 S HN 0.706 nan 8.310 nan 0.000 0.470 156 F N 1.758 121.581 119.950 -0.212 0.000 2.134 156 F HA 0.051 4.578 4.527 0.000 0.000 0.299 156 F C 2.506 178.215 175.800 -0.151 0.000 1.097 156 F CA 2.111 60.018 58.000 -0.155 0.000 1.264 156 F CB -0.724 38.242 39.000 -0.057 0.000 1.001 156 F HN 0.829 nan 8.300 nan 0.000 0.479 157 A N 0.121 122.985 122.820 0.073 0.000 1.908 157 A HA -0.225 4.096 4.320 0.002 0.000 0.218 157 A C 2.236 179.762 177.584 -0.096 0.000 1.181 157 A CA 1.929 53.974 52.037 0.014 0.000 0.627 157 A CB -0.661 18.372 19.000 0.054 0.000 0.818 157 A HN 0.459 nan 8.150 nan 0.000 0.445 158 K N -1.012 119.307 120.400 -0.136 0.000 2.097 158 K HA -0.067 4.255 4.320 0.002 0.000 0.205 158 K C 1.903 178.435 176.600 -0.113 0.000 1.050 158 K CA 1.196 57.452 56.287 -0.051 0.000 0.938 158 K CB -0.313 32.118 32.500 -0.114 0.000 0.718 158 K HN 0.396 nan 8.250 nan 0.000 0.442 159 L N 1.656 122.657 121.223 -0.371 0.000 2.017 159 L HA -0.155 4.186 4.340 0.002 0.000 0.208 159 L C 2.310 179.004 176.870 -0.294 0.000 1.073 159 L CA 1.660 56.318 54.840 -0.304 0.000 0.745 159 L CB -0.404 41.405 42.059 -0.415 0.000 0.894 159 L HN 0.046 nan 8.230 nan 0.000 0.432 160 R N -0.479 119.770 120.500 -0.417 0.000 2.091 160 R HA -0.226 4.115 4.340 0.002 0.000 0.238 160 R C 2.326 178.462 176.300 -0.274 0.000 1.136 160 R CA 1.958 57.852 56.100 -0.343 0.000 0.959 160 R CB -0.256 29.870 30.300 -0.290 0.000 0.856 160 R HN 0.611 nan 8.270 nan 0.000 0.437 161 E N -0.384 119.654 120.200 -0.271 0.000 2.072 161 E HA -0.160 4.191 4.350 0.002 0.000 0.191 161 E C 1.815 178.047 176.600 -0.614 0.000 0.985 161 E CA 1.033 57.173 56.400 -0.434 0.000 0.801 161 E CB -0.075 29.412 29.700 -0.356 0.000 0.750 161 E HN 0.432 nan 8.360 nan 0.000 0.452 162 A N 0.603 123.207 122.820 -0.360 0.000 1.892 162 A HA -0.252 4.069 4.320 0.002 0.000 0.218 162 A C 2.488 179.985 177.584 -0.144 0.000 1.188 162 A CA 1.652 53.592 52.037 -0.162 0.000 0.631 162 A CB -1.096 17.994 19.000 0.150 0.000 0.822 162 A HN 0.531 nan 8.150 nan 0.000 0.447 163 C N -1.167 118.040 119.300 -0.156 0.000 2.413 163 C HA 0.022 4.483 4.460 0.002 0.000 0.276 163 C C 3.332 178.226 174.990 -0.161 0.000 1.248 163 C CA 0.773 59.715 59.018 -0.127 0.000 1.742 163 C CB -1.451 26.212 27.740 -0.128 0.000 2.017 163 C HN 0.716 nan 8.230 nan 0.000 0.481 164 A N 0.100 122.759 122.820 -0.268 0.000 1.883 164 A HA -0.238 4.083 4.320 0.002 0.000 0.217 164 A C 1.937 179.354 177.584 -0.279 0.000 1.186 164 A CA 1.898 53.754 52.037 -0.302 0.000 0.624 164 A CB -0.888 17.857 19.000 -0.426 0.000 0.822 164 A HN 0.736 nan 8.150 nan 0.000 0.444 165 H N -0.334 118.620 119.070 -0.194 0.000 2.387 165 H HA -0.007 4.550 4.556 0.001 0.000 0.299 165 H C 1.899 177.176 175.328 -0.085 0.000 1.090 165 H CA 1.496 57.451 56.048 -0.154 0.000 1.332 165 H CB -0.403 29.230 29.762 -0.215 0.000 1.386 165 H HN 0.435 nan 8.280 nan 0.000 0.516 166 L N 0.450 121.690 121.223 0.028 0.000 2.552 166 L HA -0.021 4.321 4.340 0.002 0.000 0.227 166 L C 2.635 179.505 176.870 -0.000 0.000 1.146 166 L CA 0.253 55.105 54.840 0.020 0.000 0.858 166 L CB -0.181 41.888 42.059 0.017 0.000 0.969 166 L HN 0.112 nan 8.230 nan 0.000 0.451 167 R N 0.611 121.098 120.500 -0.021 0.000 2.127 167 R HA -0.167 4.174 4.340 0.002 0.000 0.238 167 R C 0.606 176.902 176.300 -0.007 0.000 1.134 167 R CA 1.019 57.106 56.100 -0.022 0.000 0.975 167 R CB -0.053 30.223 30.300 -0.040 0.000 0.865 167 R HN 0.175 nan 8.270 nan 0.000 0.447 168 D N 0.709 121.111 120.400 0.004 0.000 2.338 168 D HA 0.030 4.672 4.640 0.002 0.000 0.255 168 D C -1.609 174.697 176.300 0.011 0.000 1.237 168 D CA -2.327 51.679 54.000 0.010 0.000 0.883 168 D CB 1.581 42.391 40.800 0.018 0.000 1.087 168 D HN 0.077 nan 8.370 nan 0.000 0.485 169 P HA -0.113 nan 4.420 nan 0.000 0.222 169 P C 0.600 177.906 177.300 0.010 0.000 1.147 169 P CA 0.744 63.848 63.100 0.008 0.000 0.790 169 P CB 0.504 32.207 31.700 0.006 0.000 0.780 170 E N -0.949 119.257 120.200 0.010 0.000 2.435 170 E HA -0.019 4.332 4.350 0.002 0.000 0.195 170 E C 0.638 177.245 176.600 0.010 0.000 1.029 170 E CA -0.029 56.376 56.400 0.009 0.000 0.865 170 E CB -0.829 28.876 29.700 0.008 0.000 0.833 170 E HN 0.187 nan 8.360 nan 0.000 0.510 171 C N 2.485 121.794 119.300 0.015 0.000 2.576 171 C HA 0.178 4.639 4.460 0.002 0.000 0.401 171 C C 0.420 175.423 174.990 0.021 0.000 1.314 171 C CA -0.914 58.115 59.018 0.019 0.000 1.855 171 C CB -1.010 26.749 27.740 0.032 0.000 2.537 171 C HN 0.076 nan 8.230 nan 0.000 0.578 172 L N 5.823 127.056 121.223 0.017 0.000 2.467 172 L HA 0.395 4.737 4.340 0.002 0.000 0.270 172 L C 0.142 177.030 176.870 0.030 0.000 1.205 172 L CA 0.348 55.197 54.840 0.016 0.000 0.828 172 L CB 0.706 42.768 42.059 0.005 0.000 1.101 172 L HN 0.660 nan 8.230 nan 0.000 0.479 173 L N 3.571 124.810 121.223 0.028 0.000 2.349 173 L HA 0.680 5.021 4.340 0.002 0.000 0.278 173 L C -0.923 175.964 176.870 0.028 0.000 0.996 173 L CA -0.170 54.694 54.840 0.041 0.000 0.825 173 L CB 1.650 43.735 42.059 0.044 0.000 1.243 173 L HN 0.260 nan 8.230 nan 0.000 0.412 174 V N 4.231 124.165 119.914 0.033 0.000 2.656 174 V HA 0.920 5.041 4.120 0.002 0.000 0.307 174 V C -0.097 176.017 176.094 0.034 0.000 1.051 174 V CA -0.382 61.928 62.300 0.016 0.000 0.893 174 V CB 1.570 33.392 31.823 -0.002 0.000 0.999 174 V HN 0.962 nan 8.190 nan 0.000 0.426 175 A N 2.041 124.878 122.820 0.029 0.000 2.350 175 A HA 0.657 4.978 4.320 0.002 0.000 0.324 175 A C 1.018 178.628 177.584 0.043 0.000 1.118 175 A CA 0.184 52.246 52.037 0.040 0.000 0.783 175 A CB 1.532 20.554 19.000 0.037 0.000 1.236 175 A HN 1.044 nan 8.150 nan 0.000 0.457 176 T N -0.687 113.900 114.554 0.055 0.000 2.788 176 T HA -0.000 4.351 4.350 0.002 0.000 0.268 176 T C 0.418 175.153 174.700 0.058 0.000 1.044 176 T CA 1.599 63.736 62.100 0.063 0.000 1.139 176 T CB -0.539 68.373 68.868 0.074 0.000 0.867 176 T HN 0.909 nan 8.240 nan 0.000 0.454 177 D N -1.004 119.428 120.400 0.053 0.000 2.710 177 D HA 0.171 4.812 4.640 0.002 0.000 0.276 177 D C -0.797 175.522 176.300 0.033 0.000 1.267 177 D CA -0.889 53.135 54.000 0.040 0.000 0.772 177 D CB 1.094 41.920 40.800 0.043 0.000 1.299 177 D HN 0.058 nan 8.370 nan 0.000 0.421 178 R N -0.299 120.207 120.500 0.011 0.000 2.613 178 R HA 0.172 4.513 4.340 0.002 0.000 0.361 178 R C -0.846 175.428 176.300 -0.042 0.000 1.072 178 R CA -0.523 55.574 56.100 -0.006 0.000 1.089 178 R CB 0.305 30.600 30.300 -0.008 0.000 1.343 178 R HN 0.295 nan 8.270 nan 0.000 0.571 179 D N 2.653 123.027 120.400 -0.043 0.000 2.450 179 D HA -0.019 4.622 4.640 0.002 0.000 0.247 179 D C -1.273 174.883 176.300 -0.240 0.000 1.162 179 D CA -1.402 52.501 54.000 -0.162 0.000 0.879 179 D CB 1.086 41.833 40.800 -0.088 0.000 1.163 179 D HN 0.045 nan 8.370 nan 0.000 0.472 180 P HA 0.005 nan 4.420 nan 0.000 0.224 180 P C -0.081 177.175 177.300 -0.074 0.000 1.157 180 P CA 0.680 63.676 63.100 -0.174 0.000 0.799 180 P CB 0.274 31.921 31.700 -0.088 0.000 0.809 181 W N -1.978 119.131 121.300 -0.318 0.000 3.064 181 W HA 0.364 5.025 4.660 0.001 0.000 0.328 181 W C -1.638 174.529 176.519 -0.588 0.000 1.210 181 W CA -0.527 56.637 57.345 -0.300 0.000 1.178 181 W CB 0.021 29.414 29.460 -0.111 0.000 1.416 181 W HN -0.197 nan 8.180 nan 0.000 0.568 182 H N 0.998 120.319 119.070 0.418 0.000 2.679 182 H HA 0.366 4.923 4.556 0.002 0.000 0.360 182 H C -2.445 173.116 175.328 0.389 0.000 1.105 182 H CA -1.676 54.530 56.048 0.264 0.000 1.196 182 H CB 2.796 32.605 29.762 0.077 0.000 1.636 182 H HN -0.124 nan 8.280 nan 0.000 0.531 183 P HA 0.169 nan 4.420 nan 0.000 0.276 183 P C -0.190 177.237 177.300 0.211 0.000 1.230 183 P CA -0.187 63.114 63.100 0.335 0.000 0.776 183 P CB 1.284 33.181 31.700 0.329 0.000 0.888 184 L N 1.903 123.215 121.223 0.148 0.000 2.358 184 L HA 0.284 4.625 4.340 0.002 0.000 0.268 184 L C 2.103 179.018 176.870 0.076 0.000 1.032 184 L CA -0.583 54.316 54.840 0.099 0.000 0.805 184 L CB 0.985 43.092 42.059 0.080 0.000 1.253 184 L HN 0.345 nan 8.230 nan 0.000 0.452 185 S N -0.668 115.065 115.700 0.056 0.000 2.399 185 S HA -0.185 4.287 4.470 0.002 0.000 0.231 185 S C 1.049 175.672 174.600 0.038 0.000 1.022 185 S CA 1.222 59.450 58.200 0.046 0.000 0.983 185 S CB -0.507 62.712 63.200 0.031 0.000 0.803 185 S HN 0.857 nan 8.310 nan 0.000 0.480 186 D N 0.536 120.955 120.400 0.032 0.000 2.336 186 D HA 0.262 4.903 4.640 0.002 0.000 0.229 186 D C 1.407 177.720 176.300 0.021 0.000 1.061 186 D CA 0.625 54.639 54.000 0.023 0.000 0.875 186 D CB -0.639 40.172 40.800 0.018 0.000 0.904 186 D HN 0.604 nan 8.370 nan 0.000 0.525 187 G N -0.068 108.749 108.800 0.028 0.000 2.217 187 G HA2 -0.298 3.663 3.960 0.002 0.000 0.246 187 G HA3 -0.298 3.663 3.960 0.002 0.000 0.246 187 G C 0.548 175.449 174.900 0.002 0.000 0.990 187 G CA 0.433 45.543 45.100 0.018 0.000 0.627 187 G HN 0.815 nan 8.290 nan 0.000 0.522 188 S N -0.067 115.640 115.700 0.010 0.000 2.640 188 S HA 0.751 5.222 4.470 0.002 0.000 0.262 188 S C 0.314 174.927 174.600 0.021 0.000 1.232 188 S CA 0.459 58.658 58.200 -0.001 0.000 0.988 188 S CB 1.269 64.475 63.200 0.011 0.000 1.034 188 S HN 1.447 nan 8.310 nan 0.000 0.569 189 R N -0.971 119.538 120.500 0.015 0.000 2.771 189 R HA 0.654 4.995 4.340 0.002 0.000 0.274 189 R C -1.173 175.204 176.300 0.127 0.000 0.987 189 R CA -0.697 55.453 56.100 0.084 0.000 0.908 189 R CB 1.495 31.771 30.300 -0.040 0.000 1.213 189 R HN 0.583 nan 8.270 nan 0.000 0.468 190 T N 2.450 117.140 114.554 0.227 0.000 2.824 190 T HA 0.480 4.831 4.350 0.002 0.000 0.280 190 T C -2.452 172.431 174.700 0.305 0.000 0.995 190 T CA -2.326 59.923 62.100 0.249 0.000 1.009 190 T CB 1.396 70.442 68.868 0.297 0.000 0.955 190 T HN 0.448 nan 8.240 nan 0.000 0.452 191 P HA 0.258 nan 4.420 nan 0.000 0.267 191 P C -0.124 177.362 177.300 0.310 0.000 1.200 191 P CA -0.030 63.196 63.100 0.209 0.000 0.772 191 P CB 0.405 32.157 31.700 0.087 0.000 0.855 192 G N 0.649 109.573 108.800 0.207 0.000 2.491 192 G HA2 0.278 4.239 3.960 0.002 0.000 0.327 192 G HA3 0.278 4.239 3.960 0.002 0.000 0.327 192 G C 0.883 175.885 174.900 0.169 0.000 1.189 192 G CA -0.375 44.862 45.100 0.228 0.000 0.956 192 G HN 0.349 nan 8.290 nan 0.000 0.491 193 T N 0.656 115.345 114.554 0.226 0.000 2.803 193 T HA -0.126 4.225 4.350 0.002 0.000 0.269 193 T C 2.507 177.217 174.700 0.017 0.000 1.052 193 T CA 1.794 63.958 62.100 0.108 0.000 1.136 193 T CB -0.361 68.588 68.868 0.137 0.000 0.864 193 T HN 0.640 nan 8.240 nan 0.000 0.467 194 G N 1.438 110.246 108.800 0.013 0.000 2.432 194 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 194 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 194 G C 1.893 176.778 174.900 -0.025 0.000 1.135 194 G CA 1.339 46.431 45.100 -0.012 0.000 0.767 194 G HN 0.650 nan 8.290 nan 0.000 0.550 195 S N 0.486 116.167 115.700 -0.032 0.000 2.368 195 S HA 0.044 4.515 4.470 0.002 0.000 0.224 195 S C 2.340 176.848 174.600 -0.153 0.000 1.029 195 S CA 0.974 59.141 58.200 -0.055 0.000 0.988 195 S CB -0.374 62.810 63.200 -0.027 0.000 0.838 195 S HN 0.295 nan 8.310 nan 0.000 0.462 196 L N 1.337 122.408 121.223 -0.254 0.000 2.072 196 L HA 0.075 4.416 4.340 0.002 0.000 0.205 196 L C 3.250 179.997 176.870 -0.206 0.000 1.079 196 L CA 1.072 55.622 54.840 -0.483 0.000 0.752 196 L CB -1.021 40.683 42.059 -0.592 0.000 0.906 196 L HN 0.462 nan 8.230 nan 0.000 0.436 197 A N 0.508 123.274 122.820 -0.089 0.000 1.902 197 A HA -0.171 4.151 4.320 0.002 0.000 0.217 197 A C 2.586 180.169 177.584 -0.001 0.000 1.181 197 A CA 1.748 53.777 52.037 -0.012 0.000 0.623 197 A CB -0.641 18.362 19.000 0.005 0.000 0.818 197 A HN 0.392 nan 8.150 nan 0.000 0.443 198 A N -0.041 122.769 122.820 -0.015 0.000 1.883 198 A HA 0.080 4.401 4.320 0.002 0.000 0.217 198 A C 2.526 180.122 177.584 0.019 0.000 1.186 198 A CA 2.366 54.405 52.037 0.004 0.000 0.624 198 A CB -1.085 17.916 19.000 0.002 0.000 0.822 198 A HN 1.109 nan 8.150 nan 0.000 0.444 199 A N -0.726 122.101 122.820 0.012 0.000 1.902 199 A HA 0.007 4.328 4.320 0.002 0.000 0.217 199 A C 2.240 179.879 177.584 0.092 0.000 1.181 199 A CA 1.837 53.915 52.037 0.070 0.000 0.623 199 A CB -0.920 18.151 19.000 0.118 0.000 0.818 199 A HN 0.423 nan 8.150 nan 0.000 0.443 200 V N 0.025 120.001 119.914 0.102 0.000 2.358 200 V HA -0.244 3.878 4.120 0.002 0.000 0.246 200 V C 2.390 178.520 176.094 0.060 0.000 1.047 200 V CA 2.203 64.566 62.300 0.105 0.000 1.035 200 V CB -0.838 31.069 31.823 0.139 0.000 0.658 200 V HN 0.622 nan 8.190 nan 0.000 0.452 201 E N -0.060 120.169 120.200 0.048 0.000 2.072 201 E HA -0.173 4.178 4.350 0.002 0.000 0.191 201 E C 2.322 178.940 176.600 0.030 0.000 0.985 201 E CA 1.781 58.202 56.400 0.035 0.000 0.801 201 E CB -0.259 29.458 29.700 0.029 0.000 0.750 201 E HN 0.576 nan 8.360 nan 0.000 0.452 202 T N 0.841 115.415 114.554 0.033 0.000 2.708 202 T HA -0.150 4.201 4.350 0.002 0.000 0.266 202 T C 1.987 176.702 174.700 0.026 0.000 1.037 202 T CA 1.330 63.449 62.100 0.030 0.000 1.146 202 T CB -0.205 68.685 68.868 0.037 0.000 0.865 202 T HN 0.231 nan 8.240 nan 0.000 0.435 203 A N 1.578 124.412 122.820 0.024 0.000 2.014 203 A HA -0.025 4.296 4.320 0.002 0.000 0.218 203 A C 2.450 180.031 177.584 -0.004 0.000 1.163 203 A CA 1.774 53.814 52.037 0.005 0.000 0.652 203 A CB -0.516 18.470 19.000 -0.022 0.000 0.808 203 A HN 0.582 nan 8.150 nan 0.000 0.449 204 S N -2.123 113.579 115.700 0.004 0.000 2.524 204 S HA 0.372 4.843 4.470 0.002 0.000 0.216 204 S C 1.417 176.020 174.600 0.005 0.000 0.987 204 S CA 0.992 59.192 58.200 -0.001 0.000 0.909 204 S CB -0.301 62.902 63.200 0.006 0.000 0.781 204 S HN 1.837 nan 8.310 nan 0.000 0.521 205 G N 1.946 110.753 108.800 0.011 0.000 2.225 205 G HA2 -0.241 3.721 3.960 0.002 0.000 0.267 205 G HA3 -0.241 3.721 3.960 0.002 0.000 0.267 205 G C 0.021 174.929 174.900 0.013 0.000 1.024 205 G CA 0.118 45.225 45.100 0.012 0.000 0.784 205 G HN 0.500 nan 8.290 nan 0.000 0.507 206 R N -0.546 119.964 120.500 0.016 0.000 2.720 206 R HA 0.512 4.853 4.340 0.002 0.000 0.272 206 R C -0.079 176.233 176.300 0.020 0.000 0.991 206 R CA -0.735 55.376 56.100 0.018 0.000 1.010 206 R CB 0.958 31.270 30.300 0.021 0.000 1.141 206 R HN 0.256 nan 8.270 nan 0.000 0.494 207 Q N 0.664 120.475 119.800 0.019 0.000 2.257 207 Q HA 0.425 4.766 4.340 0.002 0.000 0.255 207 Q C -0.524 175.488 176.000 0.020 0.000 0.920 207 Q CA -0.449 55.365 55.803 0.019 0.000 0.927 207 Q CB 2.133 30.881 28.738 0.017 0.000 1.229 207 Q HN 0.644 nan 8.270 nan 0.000 0.433 208 A N 3.042 125.876 122.820 0.023 0.000 2.340 208 A HA 0.383 4.704 4.320 0.002 0.000 0.268 208 A C -0.291 177.303 177.584 0.017 0.000 1.100 208 A CA -0.534 51.517 52.037 0.023 0.000 0.803 208 A CB 0.374 19.391 19.000 0.029 0.000 1.043 208 A HN 0.797 nan 8.150 nan 0.000 0.488 209 L N 3.280 124.508 121.223 0.009 0.000 2.313 209 L HA 0.408 4.749 4.340 0.002 0.000 0.282 209 L C -0.790 176.082 176.870 0.002 0.000 1.092 209 L CA -0.451 54.388 54.840 -0.002 0.000 0.831 209 L CB 0.651 42.693 42.059 -0.029 0.000 1.159 209 L HN 0.449 nan 8.230 nan 0.000 0.442 210 V N 6.469 126.395 119.914 0.020 0.000 2.432 210 V HA 0.106 4.227 4.120 0.002 0.000 0.275 210 V C 0.991 177.119 176.094 0.056 0.000 1.043 210 V CA -0.385 61.936 62.300 0.036 0.000 0.925 210 V CB 1.497 33.346 31.823 0.042 0.000 0.985 210 V HN 0.767 nan 8.190 nan 0.000 0.466 211 V N 4.129 124.080 119.914 0.062 0.000 2.331 211 V HA 0.105 4.226 4.120 0.002 0.000 0.242 211 V C 1.620 177.827 176.094 0.188 0.000 1.034 211 V CA 1.645 64.027 62.300 0.138 0.000 1.027 211 V CB -0.680 31.210 31.823 0.112 0.000 0.667 211 V HN 0.942 nan 8.190 nan 0.000 0.457 212 G N -0.268 108.587 108.800 0.092 0.000 2.588 212 G HA2 0.233 4.194 3.960 0.002 0.000 0.278 212 G HA3 0.233 4.194 3.960 0.002 0.000 0.278 212 G C -0.275 174.585 174.900 -0.066 0.000 1.307 212 G CA -0.592 44.519 45.100 0.017 0.000 1.016 212 G HN 0.407 nan 8.290 nan 0.000 0.503 213 K N 0.870 121.116 120.400 -0.257 0.000 2.527 213 K HA 0.047 4.368 4.320 0.002 0.000 0.278 213 K C -1.753 174.785 176.600 -0.103 0.000 0.981 213 K CA -0.523 55.538 56.287 -0.377 0.000 1.009 213 K CB 0.807 32.990 32.500 -0.528 0.000 0.895 213 K HN 0.237 nan 8.250 nan 0.000 0.493 214 P HA -0.009 nan 4.420 nan 0.000 0.254 214 P C -0.325 177.141 177.300 0.276 0.000 1.494 214 P CA -0.008 63.185 63.100 0.156 0.000 0.961 214 P CB 0.401 32.184 31.700 0.138 0.000 1.493 215 S N 1.885 117.696 115.700 0.184 0.000 2.533 215 S HA 0.152 4.623 4.470 0.002 0.000 0.282 215 S C -1.270 173.550 174.600 0.367 0.000 1.304 215 S CA -1.003 57.334 58.200 0.228 0.000 1.063 215 S CB 0.287 63.603 63.200 0.193 0.000 0.881 215 S HN -0.047 nan 8.310 nan 0.000 0.493 216 P HA -0.109 nan 4.420 nan 0.000 0.220 216 P C 0.867 178.346 177.300 0.299 0.000 1.144 216 P CA 0.830 64.087 63.100 0.261 0.000 0.800 216 P CB -0.081 31.701 31.700 0.136 0.000 0.772 217 Y N -0.132 120.282 120.300 0.188 0.000 2.193 217 Y HA -0.261 4.290 4.550 0.002 0.000 0.285 217 Y C 2.292 178.297 175.900 0.174 0.000 1.166 217 Y CA 1.662 59.852 58.100 0.150 0.000 1.181 217 Y CB -0.759 37.761 38.460 0.101 0.000 0.976 217 Y HN -0.146 nan 8.280 nan 0.000 0.520 218 M N -0.927 118.766 119.600 0.154 0.000 2.149 218 M HA -0.194 4.288 4.480 0.002 0.000 0.261 218 M C 1.893 178.243 176.300 0.084 0.000 1.064 218 M CA 1.685 57.020 55.300 0.058 0.000 1.102 218 M CB -0.948 31.639 32.600 -0.022 0.000 1.369 218 M HN 0.386 nan 8.290 nan 0.000 0.408 219 F N 0.624 120.674 119.950 0.167 0.000 2.186 219 F HA -0.136 4.392 4.527 0.002 0.000 0.299 219 F C 1.963 177.669 175.800 -0.157 0.000 1.090 219 F CA 1.791 59.812 58.000 0.035 0.000 1.307 219 F CB -0.350 38.609 39.000 -0.067 0.000 1.019 219 F HN 0.256 nan 8.300 nan 0.000 0.489 220 E N -0.855 119.247 120.200 -0.163 0.000 2.085 220 E HA -0.310 4.041 4.350 0.002 0.000 0.194 220 E C 2.436 178.779 176.600 -0.428 0.000 0.994 220 E CA 1.473 57.686 56.400 -0.312 0.000 0.801 220 E CB -0.791 28.726 29.700 -0.306 0.000 0.743 220 E HN 0.524 nan 8.360 nan 0.000 0.453 221 c N 0.750 119.013 118.600 -0.562 0.000 2.432 221 c HA -0.122 4.449 4.570 0.002 0.000 0.277 221 c C 2.590 176.455 174.090 -0.374 0.000 1.249 221 c CA 0.571 56.678 56.329 -0.369 0.000 1.725 221 c CB -0.880 41.474 42.510 -0.260 0.000 2.028 221 c HN 0.349 nan 8.230 nan 0.000 0.477 222 I N 1.290 121.460 120.570 -0.668 0.000 2.315 222 I HA -0.136 4.035 4.170 0.002 0.000 0.248 222 I C 2.434 178.203 176.117 -0.581 0.000 1.117 222 I CA 2.087 62.698 61.300 -1.149 0.000 1.404 222 I CB -0.486 36.928 38.000 -0.977 0.000 1.071 222 I HN 0.545 nan 8.210 nan 0.000 0.419 223 T N -2.971 111.260 114.554 -0.538 0.000 3.107 223 T HA 0.035 4.386 4.350 0.002 0.000 0.249 223 T C 1.439 176.018 174.700 -0.202 0.000 1.096 223 T CA 0.046 61.915 62.100 -0.385 0.000 1.012 223 T CB -0.019 68.502 68.868 -0.578 0.000 0.977 223 T HN 0.366 nan 8.240 nan 0.000 0.527 224 E N 1.977 122.079 120.200 -0.163 0.000 2.106 224 E HA -0.149 4.202 4.350 0.002 0.000 0.192 224 E C 1.475 178.022 176.600 -0.088 0.000 0.984 224 E CA 1.359 57.705 56.400 -0.090 0.000 0.806 224 E CB -0.079 29.595 29.700 -0.042 0.000 0.750 224 E HN 0.773 nan 8.360 nan 0.000 0.458 225 N N -1.619 117.024 118.700 -0.096 0.000 2.322 225 N HA 0.095 4.836 4.740 0.002 0.000 0.181 225 N C -0.721 174.489 175.510 -0.499 0.000 1.088 225 N CA -0.109 52.776 53.050 -0.276 0.000 0.885 225 N CB 0.597 38.907 38.487 -0.296 0.000 1.013 225 N HN -0.064 nan 8.380 nan 0.000 0.472 226 F N 0.483 120.390 119.950 -0.072 0.000 2.507 226 F HA 0.323 4.851 4.527 0.002 0.000 0.328 226 F C 0.097 175.823 175.800 -0.124 0.000 1.136 226 F CA -1.154 56.797 58.000 -0.082 0.000 0.930 226 F CB 1.910 40.856 39.000 -0.090 0.000 1.166 226 F HN -0.254 nan 8.300 nan 0.000 0.436 227 S N 5.398 121.147 115.700 0.082 0.000 2.503 227 S HA 0.451 4.922 4.470 0.002 0.000 0.317 227 S C -0.375 174.249 174.600 0.040 0.000 1.162 227 S CA -0.371 57.847 58.200 0.030 0.000 1.124 227 S CB -1.057 62.155 63.200 0.020 0.000 1.207 227 S HN 0.486 nan 8.310 nan 0.000 0.538 228 I N 1.442 122.010 120.570 -0.003 0.000 2.509 228 I HA 0.601 4.772 4.170 0.002 0.000 0.293 228 I C -0.668 175.473 176.117 0.040 0.000 1.020 228 I CA -1.057 60.243 61.300 0.001 0.000 1.088 228 I CB 1.834 39.812 38.000 -0.036 0.000 1.267 228 I HN 0.188 nan 8.210 nan 0.000 0.430 229 D N 8.340 128.759 120.400 0.032 0.000 2.339 229 D HA 0.302 4.943 4.640 0.002 0.000 0.241 229 D C -1.558 174.763 176.300 0.035 0.000 1.183 229 D CA -2.514 51.506 54.000 0.034 0.000 0.859 229 D CB 1.601 42.403 40.800 0.003 0.000 1.067 229 D HN 0.379 nan 8.370 nan 0.000 0.484 230 P HA -0.111 nan 4.420 nan 0.000 0.220 230 P C 0.973 178.210 177.300 -0.105 0.000 1.148 230 P CA 0.652 63.729 63.100 -0.039 0.000 0.803 230 P CB 0.156 31.743 31.700 -0.189 0.000 0.782 231 A N 0.067 122.839 122.820 -0.081 0.000 2.125 231 A HA -0.095 4.226 4.320 0.002 0.000 0.219 231 A C 1.888 179.422 177.584 -0.082 0.000 1.156 231 A CA 1.090 53.074 52.037 -0.088 0.000 0.671 231 A CB -0.587 18.374 19.000 -0.065 0.000 0.794 231 A HN 0.030 nan 8.150 nan 0.000 0.459 232 R N -0.312 120.148 120.500 -0.066 0.000 2.577 232 R HA 0.182 4.524 4.340 0.002 0.000 0.344 232 R C -0.753 175.501 176.300 -0.076 0.000 1.037 232 R CA 0.155 56.216 56.100 -0.065 0.000 1.102 232 R CB -0.137 30.136 30.300 -0.046 0.000 1.313 232 R HN 0.288 nan 8.270 nan 0.000 0.561 233 T N 1.710 116.210 114.554 -0.090 0.000 2.829 233 T HA 0.529 4.880 4.350 0.002 0.000 0.280 233 T C 0.108 174.724 174.700 -0.140 0.000 0.999 233 T CA -0.467 61.570 62.100 -0.105 0.000 0.983 233 T CB 2.045 70.875 68.868 -0.063 0.000 0.968 233 T HN -0.043 nan 8.240 nan 0.000 0.446 234 L N 3.264 124.387 121.223 -0.168 0.000 2.289 234 L HA 0.608 4.949 4.340 0.002 0.000 0.285 234 L C -0.123 176.618 176.870 -0.214 0.000 1.049 234 L CA -0.922 53.811 54.840 -0.179 0.000 0.804 234 L CB 1.155 43.097 42.059 -0.193 0.000 1.195 234 L HN 0.489 nan 8.230 nan 0.000 0.428 235 M N 4.546 124.049 119.600 -0.162 0.000 2.149 235 M HA 0.463 4.944 4.480 0.002 0.000 0.342 235 M C -1.246 174.991 176.300 -0.105 0.000 1.068 235 M CA -0.241 54.982 55.300 -0.129 0.000 0.991 235 M CB 1.355 33.908 32.600 -0.078 0.000 1.596 235 M HN 0.233 nan 8.290 nan 0.000 0.439 236 V N 5.260 125.088 119.914 -0.144 0.000 2.409 236 V HA 0.988 5.110 4.120 0.002 0.000 0.291 236 V C 0.322 176.427 176.094 0.018 0.000 1.020 236 V CA -0.329 61.928 62.300 -0.071 0.000 0.848 236 V CB 0.946 32.685 31.823 -0.140 0.000 0.990 236 V HN 1.004 nan 8.190 nan 0.000 0.430 237 G N 2.669 111.496 108.800 0.045 0.000 2.649 237 G HA2 0.545 4.506 3.960 0.002 0.000 0.290 237 G HA3 0.545 4.506 3.960 0.002 0.000 0.290 237 G C -0.480 174.448 174.900 0.047 0.000 1.426 237 G CA 0.042 45.169 45.100 0.045 0.000 0.794 237 G HN 0.573 nan 8.290 nan 0.000 0.483 238 D N -1.351 119.066 120.400 0.028 0.000 2.433 238 D HA 0.092 4.733 4.640 0.002 0.000 0.211 238 D C 0.591 176.902 176.300 0.019 0.000 1.114 238 D CA -0.148 53.871 54.000 0.030 0.000 0.837 238 D CB 0.873 41.686 40.800 0.021 0.000 0.984 238 D HN 0.239 nan 8.370 nan 0.000 0.505 239 R N 0.809 121.314 120.500 0.007 0.000 2.409 239 R HA 0.393 4.734 4.340 0.002 0.000 0.313 239 R C 1.158 177.465 176.300 0.011 0.000 0.953 239 R CA -0.475 55.619 56.100 -0.012 0.000 0.849 239 R CB 1.526 31.791 30.300 -0.059 0.000 1.171 239 R HN -0.070 nan 8.270 nan 0.000 0.458 240 L N 2.534 123.777 121.223 0.033 0.000 2.012 240 L HA -0.194 4.147 4.340 0.002 0.000 0.210 240 L C 1.165 178.029 176.870 -0.010 0.000 1.073 240 L CA 1.616 56.478 54.840 0.038 0.000 0.748 240 L CB -0.035 42.089 42.059 0.109 0.000 0.891 240 L HN 0.618 nan 8.230 nan 0.000 0.431 241 E N -1.247 118.942 120.200 -0.018 0.000 2.511 241 E HA -0.053 4.298 4.350 0.002 0.000 0.196 241 E C 1.465 178.050 176.600 -0.024 0.000 1.066 241 E CA 0.719 57.093 56.400 -0.045 0.000 0.871 241 E CB 0.136 29.816 29.700 -0.034 0.000 0.863 241 E HN 0.401 nan 8.360 nan 0.000 0.520 242 T N -0.547 113.999 114.554 -0.013 0.000 3.330 242 T HA 0.015 4.366 4.350 0.002 0.000 0.240 242 T C 1.005 175.730 174.700 0.043 0.000 0.988 242 T CA 0.202 62.297 62.100 -0.009 0.000 1.253 242 T CB -0.033 68.805 68.868 -0.050 0.000 1.163 242 T HN 0.019 nan 8.240 nan 0.000 0.382 243 D N 1.513 121.938 120.400 0.041 0.000 2.137 243 D HA 0.014 4.655 4.640 0.002 0.000 0.202 243 D C 2.011 178.394 176.300 0.139 0.000 0.970 243 D CA 0.833 54.893 54.000 0.101 0.000 0.837 243 D CB 0.077 40.913 40.800 0.059 0.000 0.981 243 D HN 0.183 nan 8.370 nan 0.000 0.475 244 I N 1.158 121.779 120.570 0.085 0.000 2.233 244 I HA -0.151 4.021 4.170 0.002 0.000 0.243 244 I C 2.539 178.732 176.117 0.128 0.000 1.093 244 I CA 0.472 61.818 61.300 0.076 0.000 1.380 244 I CB -1.065 36.979 38.000 0.073 0.000 1.067 244 I HN 0.001 nan 8.210 nan 0.000 0.413 245 L N 0.844 122.136 121.223 0.114 0.000 2.043 245 L HA -0.261 4.080 4.340 0.002 0.000 0.212 245 L C 2.481 179.434 176.870 0.139 0.000 1.075 245 L CA 1.799 56.704 54.840 0.109 0.000 0.752 245 L CB -1.038 41.042 42.059 0.034 0.000 0.891 245 L HN 0.147 nan 8.230 nan 0.000 0.432 246 F N 0.519 120.460 119.950 -0.015 0.000 2.069 246 F HA -0.105 4.424 4.527 0.003 0.000 0.298 246 F C 2.266 178.011 175.800 -0.092 0.000 1.113 246 F CA 1.831 59.808 58.000 -0.039 0.000 1.214 246 F CB -1.170 37.814 39.000 -0.026 0.000 0.978 246 F HN 0.144 nan 8.300 nan 0.000 0.474 247 G N -0.576 108.133 108.800 -0.152 0.000 2.476 247 G HA2 -0.308 3.654 3.960 0.002 0.000 0.218 247 G HA3 -0.308 3.654 3.960 0.002 0.000 0.218 247 G C 1.706 176.400 174.900 -0.342 0.000 1.164 247 G CA 1.245 46.143 45.100 -0.337 0.000 0.768 247 G HN 0.491 nan 8.290 nan 0.000 0.560 248 H N 0.499 119.478 119.070 -0.151 0.000 2.357 248 H HA 0.040 4.597 4.556 0.002 0.000 0.301 248 H C 2.905 178.129 175.328 -0.172 0.000 1.082 248 H CA 1.275 57.248 56.048 -0.125 0.000 1.342 248 H CB -0.019 29.682 29.762 -0.101 0.000 1.389 248 H HN 0.324 nan 8.280 nan 0.000 0.511 249 R N -0.322 120.140 120.500 -0.064 0.000 2.120 249 R HA -0.084 4.257 4.340 0.002 0.000 0.234 249 R C 2.268 178.406 176.300 -0.271 0.000 1.123 249 R CA 1.334 57.359 56.100 -0.126 0.000 0.975 249 R CB -0.108 30.147 30.300 -0.074 0.000 0.866 249 R HN 0.235 nan 8.270 nan 0.000 0.446 250 C N -0.648 118.352 119.300 -0.500 0.000 2.618 250 C HA 0.258 4.719 4.460 0.002 0.000 0.264 250 C C 1.393 176.038 174.990 -0.574 0.000 1.334 250 C CA 0.293 58.854 59.018 -0.762 0.000 1.731 250 C CB -0.406 26.467 27.740 -1.445 0.000 1.852 250 C HN 0.795 nan 8.230 nan 0.000 0.566 251 G N 1.011 109.596 108.800 -0.359 0.000 2.160 251 G HA2 -0.247 3.715 3.960 0.002 0.000 0.244 251 G HA3 -0.247 3.715 3.960 0.002 0.000 0.244 251 G C -0.123 174.624 174.900 -0.255 0.000 1.022 251 G CA 0.092 45.048 45.100 -0.239 0.000 0.741 251 G HN 0.509 nan 8.290 nan 0.000 0.508 252 M N 0.339 119.749 119.600 -0.316 0.000 2.444 252 M HA 0.419 4.901 4.480 0.002 0.000 0.319 252 M C 0.687 176.846 176.300 -0.235 0.000 1.183 252 M CA -0.363 54.773 55.300 -0.273 0.000 1.032 252 M CB 1.167 33.584 32.600 -0.305 0.000 1.569 252 M HN 0.064 nan 8.290 nan 0.000 0.468 253 T N 1.618 116.033 114.554 -0.231 0.000 2.814 253 T HA 0.284 4.635 4.350 0.002 0.000 0.297 253 T C 0.116 174.776 174.700 -0.066 0.000 0.956 253 T CA -0.432 61.510 62.100 -0.263 0.000 1.123 253 T CB 0.118 68.866 68.868 -0.199 0.000 0.902 253 T HN 0.723 nan 8.240 nan 0.000 0.528 254 T N 0.202 114.836 114.554 0.133 0.000 2.824 254 T HA 0.677 5.028 4.350 0.002 0.000 0.280 254 T C -0.487 174.298 174.700 0.142 0.000 0.995 254 T CA -0.803 61.330 62.100 0.055 0.000 1.009 254 T CB 1.108 69.925 68.868 -0.084 0.000 0.955 254 T HN 0.273 nan 8.240 nan 0.000 0.452 255 V N 3.994 123.967 119.914 0.098 0.000 2.443 255 V HA 0.431 4.552 4.120 0.002 0.000 0.293 255 V C -0.475 175.691 176.094 0.120 0.000 1.021 255 V CA -0.959 61.429 62.300 0.146 0.000 0.848 255 V CB 1.360 33.241 31.823 0.096 0.000 0.998 255 V HN 0.956 nan 8.190 nan 0.000 0.424 256 L N 4.692 126.014 121.223 0.165 0.000 2.290 256 L HA 0.625 4.967 4.340 0.002 0.000 0.284 256 L C 0.385 177.360 176.870 0.174 0.000 1.078 256 L CA 0.951 55.881 54.840 0.149 0.000 0.815 256 L CB 1.497 43.646 42.059 0.150 0.000 1.162 256 L HN 0.763 nan 8.230 nan 0.000 0.435 257 T N 4.975 119.607 114.554 0.130 0.000 2.902 257 T HA 0.423 4.774 4.350 0.002 0.000 0.283 257 T C 0.798 175.566 174.700 0.112 0.000 1.009 257 T CA -0.514 61.665 62.100 0.132 0.000 1.051 257 T CB 0.607 69.542 68.868 0.111 0.000 0.999 257 T HN 0.643 nan 8.240 nan 0.000 0.474 258 L N 3.621 124.915 121.223 0.119 0.000 2.700 258 L HA 0.197 4.539 4.340 0.002 0.000 0.234 258 L C 1.949 178.865 176.870 0.076 0.000 1.156 258 L CA -0.027 54.867 54.840 0.090 0.000 0.946 258 L CB -0.090 42.028 42.059 0.097 0.000 1.216 258 L HN 0.784 nan 8.230 nan 0.000 0.493 259 T N -3.535 111.065 114.554 0.076 0.000 3.144 259 T HA 0.297 4.648 4.350 0.002 0.000 0.249 259 T C 0.882 175.622 174.700 0.067 0.000 1.089 259 T CA 0.261 62.403 62.100 0.070 0.000 0.989 259 T CB 0.483 69.392 68.868 0.069 0.000 0.992 259 T HN 0.309 nan 8.240 nan 0.000 0.540 260 G N 0.528 109.366 108.800 0.063 0.000 3.291 260 G HA2 0.463 4.424 3.960 0.002 0.000 0.173 260 G HA3 0.463 4.424 3.960 0.002 0.000 0.173 260 G C 0.554 175.499 174.900 0.075 0.000 1.099 260 G CA -0.024 45.114 45.100 0.064 0.000 0.794 260 G HN 0.022 nan 8.290 nan 0.000 0.651 261 V N 0.717 120.665 119.914 0.058 0.000 2.323 261 V HA 0.046 4.167 4.120 0.002 0.000 0.244 261 V C 1.588 177.729 176.094 0.077 0.000 1.041 261 V CA 1.563 63.904 62.300 0.069 0.000 1.025 261 V CB -0.318 31.470 31.823 -0.058 0.000 0.656 261 V HN 0.381 nan 8.190 nan 0.000 0.451 262 S N 0.447 116.175 115.700 0.048 0.000 2.584 262 S HA 0.415 4.886 4.470 0.002 0.000 0.273 262 S C 0.097 174.721 174.600 0.040 0.000 1.311 262 S CA -0.515 57.716 58.200 0.052 0.000 1.034 262 S CB 0.653 63.885 63.200 0.052 0.000 0.939 262 S HN 0.287 nan 8.310 nan 0.000 0.513 263 R N 1.468 121.982 120.500 0.023 0.000 2.668 263 R HA 0.310 4.651 4.340 0.002 0.000 0.279 263 R C 0.961 177.228 176.300 -0.056 0.000 0.976 263 R CA -0.854 55.240 56.100 -0.010 0.000 0.978 263 R CB 0.605 30.898 30.300 -0.011 0.000 1.133 263 R HN 0.511 nan 8.270 nan 0.000 0.484 264 L N 2.334 123.489 121.223 -0.113 0.000 2.043 264 L HA -0.204 4.137 4.340 0.002 0.000 0.212 264 L C 2.132 178.905 176.870 -0.162 0.000 1.075 264 L CA 2.054 56.760 54.840 -0.224 0.000 0.752 264 L CB -0.600 41.247 42.059 -0.354 0.000 0.891 264 L HN 0.798 nan 8.230 nan 0.000 0.432 265 E N -0.597 119.533 120.200 -0.116 0.000 2.130 265 E HA -0.286 4.065 4.350 0.002 0.000 0.196 265 E C 1.937 178.468 176.600 -0.116 0.000 0.998 265 E CA 1.792 58.132 56.400 -0.099 0.000 0.806 265 E CB -0.109 29.546 29.700 -0.076 0.000 0.738 265 E HN 0.712 nan 8.360 nan 0.000 0.459 266 E N 0.009 120.142 120.200 -0.112 0.000 2.072 266 E HA -0.158 4.194 4.350 0.002 0.000 0.191 266 E C 2.093 178.607 176.600 -0.142 0.000 0.985 266 E CA 0.812 57.107 56.400 -0.174 0.000 0.801 266 E CB -0.145 29.490 29.700 -0.108 0.000 0.750 266 E HN 0.366 nan 8.360 nan 0.000 0.452 267 A N 1.396 124.207 122.820 -0.016 0.000 1.908 267 A HA -0.282 4.039 4.320 0.002 0.000 0.218 267 A C 2.079 179.673 177.584 0.017 0.000 1.181 267 A CA 1.585 53.663 52.037 0.070 0.000 0.627 267 A CB -0.497 18.514 19.000 0.018 0.000 0.818 267 A HN 0.179 nan 8.150 nan 0.000 0.445 268 Q N -0.744 119.023 119.800 -0.055 0.000 2.119 268 Q HA -0.058 4.283 4.340 0.002 0.000 0.201 268 Q C 2.431 178.392 176.000 -0.066 0.000 0.972 268 Q CA 1.255 57.026 55.803 -0.053 0.000 0.847 268 Q CB -0.393 28.305 28.738 -0.066 0.000 0.903 268 Q HN 0.692 nan 8.270 nan 0.000 0.433 269 A N 0.248 122.996 122.820 -0.119 0.000 1.883 269 A HA -0.215 4.106 4.320 0.002 0.000 0.217 269 A C 1.701 179.203 177.584 -0.138 0.000 1.186 269 A CA 1.379 53.318 52.037 -0.164 0.000 0.624 269 A CB -0.841 18.003 19.000 -0.261 0.000 0.822 269 A HN 0.361 nan 8.150 nan 0.000 0.444 270 Y N -0.790 119.460 120.300 -0.084 0.000 2.181 270 Y HA -0.144 4.407 4.550 0.002 0.000 0.288 270 Y C 2.245 178.040 175.900 -0.174 0.000 1.146 270 Y CA 1.103 59.135 58.100 -0.113 0.000 1.164 270 Y CB -0.754 37.644 38.460 -0.104 0.000 0.982 270 Y HN 0.331 nan 8.280 nan 0.000 0.515 271 L N 0.287 121.511 121.223 0.001 0.000 2.012 271 L HA -0.175 4.166 4.340 0.002 0.000 0.210 271 L C 2.362 179.156 176.870 -0.126 0.000 1.073 271 L CA 2.157 56.926 54.840 -0.118 0.000 0.748 271 L CB -1.258 40.773 42.059 -0.048 0.000 0.891 271 L HN 0.125 nan 8.230 nan 0.000 0.431 272 A N -0.561 122.219 122.820 -0.067 0.000 1.940 272 A HA -0.077 4.245 4.320 0.002 0.000 0.219 272 A C 2.271 179.821 177.584 -0.056 0.000 1.176 272 A CA 1.717 53.722 52.037 -0.053 0.000 0.631 272 A CB -1.094 17.879 19.000 -0.046 0.000 0.814 272 A HN 0.593 nan 8.150 nan 0.000 0.446 273 A N -1.799 120.988 122.820 -0.055 0.000 2.238 273 A HA 0.418 4.739 4.320 0.002 0.000 0.208 273 A C 1.734 179.279 177.584 -0.065 0.000 1.177 273 A CA 1.123 53.138 52.037 -0.037 0.000 0.804 273 A CB -1.003 17.996 19.000 -0.000 0.000 0.823 273 A HN 1.909 nan 8.150 nan 0.000 0.482 274 G N -0.803 107.901 108.800 -0.159 0.000 2.160 274 G HA2 -0.277 3.684 3.960 0.002 0.000 0.251 274 G HA3 -0.277 3.684 3.960 0.002 0.000 0.251 274 G C 0.098 174.820 174.900 -0.297 0.000 1.008 274 G CA 0.398 45.338 45.100 -0.267 0.000 0.724 274 G HN 0.618 nan 8.290 nan 0.000 0.514 275 Q N -0.273 119.374 119.800 -0.254 0.000 3.006 275 Q HA 0.371 4.712 4.340 0.002 0.000 0.260 275 Q C 1.201 177.031 176.000 -0.284 0.000 1.356 275 Q CA -0.418 55.270 55.803 -0.191 0.000 1.070 275 Q CB 0.029 28.708 28.738 -0.098 0.000 1.507 275 Q HN 0.738 nan 8.270 nan 0.000 0.568 276 H N 0.300 119.261 119.070 -0.181 0.000 2.456 276 H HA -0.149 4.408 4.556 0.002 0.000 0.296 276 H C 1.479 176.503 175.328 -0.507 0.000 1.079 276 H CA 1.616 57.505 56.048 -0.266 0.000 1.322 276 H CB 0.322 29.947 29.762 -0.228 0.000 1.388 276 H HN 0.583 nan 8.280 nan 0.000 0.538 277 D N 0.410 120.571 120.400 -0.398 0.000 2.348 277 D HA -0.100 4.542 4.640 0.002 0.000 0.216 277 D C 1.170 177.250 176.300 -0.367 0.000 0.970 277 D CA 0.593 54.247 54.000 -0.576 0.000 0.889 277 D CB -0.306 40.311 40.800 -0.306 0.000 0.912 277 D HN 0.399 nan 8.370 nan 0.000 0.524 278 L N 0.217 121.222 121.223 -0.363 0.000 2.769 278 L HA 0.267 4.608 4.340 0.002 0.000 0.240 278 L C -0.233 176.532 176.870 -0.176 0.000 1.163 278 L CA -0.301 54.315 54.840 -0.373 0.000 0.962 278 L CB 0.835 42.336 42.059 -0.931 0.000 1.258 278 L HN -0.151 nan 8.230 nan 0.000 0.513 279 V N 1.837 121.689 119.914 -0.104 0.000 2.398 279 V HA 0.366 4.487 4.120 0.002 0.000 0.286 279 V C -2.087 174.052 176.094 0.075 0.000 1.026 279 V CA -1.641 60.658 62.300 -0.002 0.000 0.868 279 V CB 1.653 33.450 31.823 -0.042 0.000 0.982 279 V HN -0.018 nan 8.190 nan 0.000 0.443 280 P HA 0.266 nan 4.420 nan 0.000 0.278 280 P C 0.135 177.397 177.300 -0.063 0.000 1.238 280 P CA -0.138 62.980 63.100 0.030 0.000 0.794 280 P CB 1.114 32.875 31.700 0.102 0.000 0.955 281 H N 0.757 119.770 119.070 -0.095 0.000 2.352 281 H HA -0.074 4.483 4.556 0.002 0.000 0.299 281 H C 0.133 175.113 175.328 -0.581 0.000 1.097 281 H CA 2.080 57.907 56.048 -0.369 0.000 1.311 281 H CB -0.291 29.182 29.762 -0.482 0.000 1.377 281 H HN 0.444 nan 8.280 nan 0.000 0.504 282 Y N -1.726 118.679 120.300 0.176 0.000 2.581 282 Y HA 0.326 4.877 4.550 0.002 0.000 0.345 282 Y C -0.883 175.120 175.900 0.171 0.000 1.036 282 Y CA -1.732 56.435 58.100 0.112 0.000 1.042 282 Y CB 1.376 39.853 38.460 0.029 0.000 1.289 282 Y HN -0.014 nan 8.280 nan 0.000 0.471 283 Y N -0.464 119.970 120.300 0.224 0.000 2.581 283 Y HA 0.892 5.443 4.550 0.002 0.000 0.345 283 Y C -1.469 174.498 175.900 0.111 0.000 1.036 283 Y CA -1.778 56.404 58.100 0.136 0.000 1.042 283 Y CB 1.302 39.821 38.460 0.097 0.000 1.289 283 Y HN 0.475 nan 8.280 nan 0.000 0.471 284 V N -0.769 119.273 119.914 0.212 0.000 3.007 284 V HA 0.483 4.604 4.120 0.002 0.000 0.311 284 V C 0.584 176.803 176.094 0.209 0.000 1.120 284 V CA -0.553 61.810 62.300 0.105 0.000 0.980 284 V CB 1.859 33.715 31.823 0.056 0.000 1.033 284 V HN 1.115 nan 8.190 nan 0.000 0.429 285 E N 2.105 122.401 120.200 0.160 0.000 2.051 285 E HA -0.057 4.294 4.350 0.002 0.000 0.192 285 E C 0.868 177.539 176.600 0.118 0.000 0.991 285 E CA 1.692 58.183 56.400 0.152 0.000 0.799 285 E CB 0.186 29.954 29.700 0.113 0.000 0.748 285 E HN 1.101 nan 8.360 nan 0.000 0.449 286 S N -1.460 114.299 115.700 0.099 0.000 2.596 286 S HA 0.185 4.657 4.470 0.002 0.000 0.270 286 S C 0.921 175.578 174.600 0.095 0.000 1.155 286 S CA -0.390 57.867 58.200 0.094 0.000 0.827 286 S CB 0.650 63.899 63.200 0.082 0.000 1.130 286 S HN 0.299 nan 8.310 nan 0.000 0.467 287 I N -0.733 119.903 120.570 0.110 0.000 2.700 287 I HA 0.121 4.292 4.170 0.002 0.000 0.261 287 I C 2.122 178.305 176.117 0.110 0.000 1.219 287 I CA 1.317 62.698 61.300 0.135 0.000 1.463 287 I CB -0.755 37.365 38.000 0.200 0.000 1.092 287 I HN 0.681 nan 8.210 nan 0.000 0.452 288 A N 1.610 124.482 122.820 0.088 0.000 2.024 288 A HA -0.213 4.108 4.320 0.002 0.000 0.220 288 A C 1.836 179.451 177.584 0.052 0.000 1.164 288 A CA 1.972 54.049 52.037 0.067 0.000 0.643 288 A CB -0.677 18.357 19.000 0.056 0.000 0.806 288 A HN 0.533 nan 8.150 nan 0.000 0.451 289 D N -0.131 120.298 120.400 0.049 0.000 2.310 289 D HA -0.052 4.589 4.640 0.002 0.000 0.212 289 D C 1.725 178.034 176.300 0.014 0.000 0.965 289 D CA 0.667 54.682 54.000 0.026 0.000 0.879 289 D CB -0.118 40.694 40.800 0.019 0.000 0.921 289 D HN 0.509 nan 8.370 nan 0.000 0.510 290 L N 0.456 121.699 121.223 0.034 0.000 2.179 290 L HA -0.079 4.262 4.340 0.002 0.000 0.208 290 L C 2.395 179.279 176.870 0.023 0.000 1.096 290 L CA 0.797 55.650 54.840 0.023 0.000 0.779 290 L CB -0.558 41.538 42.059 0.061 0.000 0.922 290 L HN -0.050 nan 8.230 nan 0.000 0.443 291 T N -0.422 114.155 114.554 0.039 0.000 2.699 291 T HA -0.241 4.110 4.350 0.002 0.000 0.268 291 T C 1.662 176.371 174.700 0.016 0.000 1.036 291 T CA 1.528 63.650 62.100 0.036 0.000 1.147 291 T CB -0.227 68.665 68.868 0.039 0.000 0.862 291 T HN 0.391 nan 8.240 nan 0.000 0.446 292 E N 0.443 120.647 120.200 0.007 0.000 2.171 292 E HA -0.097 4.254 4.350 0.002 0.000 0.197 292 E C 2.434 179.027 176.600 -0.012 0.000 0.997 292 E CA 0.921 57.319 56.400 -0.003 0.000 0.810 292 E CB -0.375 29.320 29.700 -0.009 0.000 0.738 292 E HN 0.573 nan 8.360 nan 0.000 0.467 293 G N 0.329 109.117 108.800 -0.019 0.000 2.509 293 G HA2 -0.166 3.795 3.960 0.002 0.000 0.218 293 G HA3 -0.166 3.795 3.960 0.002 0.000 0.218 293 G C 1.416 176.302 174.900 -0.024 0.000 1.124 293 G CA 0.223 45.303 45.100 -0.033 0.000 0.776 293 G HN 0.106 nan 8.290 nan 0.000 0.547 294 L N -0.224 120.993 121.223 -0.009 0.000 2.209 294 L HA 0.414 4.756 4.340 0.002 0.000 0.207 294 L C 1.514 178.382 176.870 -0.003 0.000 1.094 294 L CA 1.079 55.917 54.840 -0.003 0.000 0.790 294 L CB -0.259 41.807 42.059 0.012 0.000 0.932 294 L HN 0.412 nan 8.230 nan 0.000 0.447 295 E N 0.000 120.198 120.200 -0.003 0.000 2.725 295 E HA 0.000 4.351 4.350 0.002 0.000 0.291 295 E CA 0.000 nan 56.400 nan 0.000 0.976 295 E CB 0.000 nan 29.700 nan 0.000 0.812 295 E HN 0.000 nan 8.360 nan 0.000 0.440