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 2vbg_1_A DATA FIRST_RESID -14 DATA SEQUENCE HSSGLXXXXX XXXXXMYTVG DYLLDRLHEL GIEEIFGVPG DYNLQFLDQI DATA SEQUENCE ISREDMKWIG NANELNASYM ADGYARTKKA AAFLTTFGVG ELSAINGLAG DATA SEQUENCE SYAENLPVVE IVGSPTSKVQ NDGKFVHHTL ADGDFKHFMK MHEPVTAART DATA SEQUENCE LLTAENATYE IDRVLSQLLK ERKPVYINLP VDVAAAKAEK PALSLEXXXX DATA SEQUENCE XXNTTEQVIL SKIEESLKNA QKPVVIAGHE VISFGLEKTV TQFVSETKLP DATA SEQUENCE ITTLNFGKSA VDESLPSFLG IYNGKLSEIS LKNFVESADF ILMLGVKLTD DATA SEQUENCE SSTGAFTHHL DENKMISLNI DEGIIFNKVV EDFDFRAVVS SLSELKGIEY DATA SEQUENCE EGQYIDKQYE EFIPSSAPLS QDRLWQAVES LTQSNETIVA EQGTSFFGAS DATA SEQUENCE TIFLKSNSRF IGQPLWGSIG YTFPAALGSQ IADKESRHLL FIGDGSLQLT DATA SEQUENCE VQELGLSIRE KLNPICFIIN NDGYTVEREI HGPTQSYNDI PMWNYSKLPE DATA SEQUENCE TFGATEDRVV SKIVRTENEF VSVMKEAQAD VNRMYWIELV LEKEDAPKLL DATA SEQUENCE KKMGKLFAEQ NK 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 -14 H HA 0.000 nan 4.556 nan 0.000 0.296 -14 H C 0.000 175.330 175.328 0.003 0.000 0.993 -14 H CA 0.000 56.049 56.048 0.001 0.000 1.023 -14 H CB 0.000 29.762 29.762 0.001 0.000 1.292 -13 S N 1.230 117.013 115.700 0.139 0.000 2.374 -13 S HA -0.199 4.272 4.470 0.002 0.000 0.227 -13 S C 1.969 176.607 174.600 0.063 0.000 1.037 -13 S CA 2.327 60.570 58.200 0.073 0.000 1.024 -13 S CB -0.116 63.112 63.200 0.046 0.000 0.861 -13 S HN 0.679 nan 8.310 nan 0.000 0.456 -12 S N -0.055 115.686 115.700 0.069 0.000 2.469 -12 S HA 0.159 4.630 4.470 0.002 0.000 0.238 -12 S C 1.712 176.346 174.600 0.056 0.000 0.998 -12 S CA 1.323 59.554 58.200 0.051 0.000 0.957 -12 S CB -0.931 62.294 63.200 0.041 0.000 0.764 -12 S HN 1.477 nan 8.310 nan 0.000 0.514 -11 G N 0.435 109.279 108.800 0.073 0.000 2.157 -11 G HA2 -0.215 3.746 3.960 0.002 0.000 0.248 -11 G HA3 -0.215 3.746 3.960 0.002 0.000 0.248 -11 G C -0.004 174.926 174.900 0.051 0.000 0.979 -11 G CA 0.318 45.447 45.100 0.049 0.000 0.650 -11 G HN 0.521 nan 8.290 nan 0.000 0.529 2 Y N 3.848 124.161 120.300 0.022 0.000 2.359 2 Y HA 0.550 5.102 4.550 0.003 0.000 0.330 2 Y C 0.207 176.132 175.900 0.042 0.000 1.143 2 Y CA 1.361 59.483 58.100 0.037 0.000 1.318 2 Y CB 0.873 39.361 38.460 0.047 0.000 1.234 2 Y HN 0.680 nan 8.280 nan 0.000 0.522 3 T N 0.818 115.208 114.554 -0.274 0.000 2.888 3 T HA 0.325 4.676 4.350 0.002 0.000 0.288 3 T C 0.625 175.231 174.700 -0.156 0.000 1.063 3 T CA -0.647 61.374 62.100 -0.132 0.000 1.010 3 T CB 1.010 69.818 68.868 -0.100 0.000 1.214 3 T HN 0.377 nan 8.240 nan 0.000 0.533 4 V N 1.304 121.179 119.914 -0.066 0.000 2.392 4 V HA -0.017 4.104 4.120 0.002 0.000 0.249 4 V C 2.872 178.959 176.094 -0.011 0.000 1.059 4 V CA 2.529 64.799 62.300 -0.049 0.000 1.051 4 V CB -1.458 30.306 31.823 -0.100 0.000 0.658 4 V HN 1.102 nan 8.190 nan 0.000 0.455 5 G N -0.238 108.558 108.800 -0.007 0.000 2.440 5 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 5 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 5 G C 1.258 176.223 174.900 0.109 0.000 1.154 5 G CA 1.041 46.233 45.100 0.152 0.000 0.767 5 G HN 0.515 nan 8.290 nan 0.000 0.552 6 D N -0.478 119.838 120.400 -0.140 0.000 2.117 6 D HA -0.134 4.507 4.640 0.002 0.000 0.197 6 D C 1.942 178.150 176.300 -0.153 0.000 0.987 6 D CA 0.889 54.703 54.000 -0.310 0.000 0.829 6 D CB -0.280 39.990 40.800 -0.883 0.000 0.961 6 D HN 0.426 nan 8.370 nan 0.000 0.460 7 Y N 1.170 121.348 120.300 -0.204 0.000 2.145 7 Y HA -0.226 4.325 4.550 0.001 0.000 0.286 7 Y C 2.304 178.255 175.900 0.085 0.000 1.145 7 Y CA 1.039 59.202 58.100 0.105 0.000 1.148 7 Y CB -0.270 38.276 38.460 0.143 0.000 0.981 7 Y HN -0.103 nan 8.280 nan 0.000 0.507 8 L N 0.277 121.661 121.223 0.268 0.000 1.989 8 L HA -0.241 4.100 4.340 0.002 0.000 0.211 8 L C 2.102 179.062 176.870 0.150 0.000 1.071 8 L CA 1.856 56.808 54.840 0.187 0.000 0.749 8 L CB -1.020 41.107 42.059 0.113 0.000 0.890 8 L HN 0.349 nan 8.230 nan 0.000 0.431 9 L N -0.853 120.467 121.223 0.161 0.000 2.083 9 L HA -0.196 4.145 4.340 0.002 0.000 0.209 9 L C 2.257 179.182 176.870 0.092 0.000 1.083 9 L CA 1.158 56.070 54.840 0.121 0.000 0.752 9 L CB -0.824 41.274 42.059 0.065 0.000 0.899 9 L HN 0.271 nan 8.230 nan 0.000 0.433 10 D N -0.185 120.252 120.400 0.062 0.000 2.117 10 D HA -0.146 4.495 4.640 0.002 0.000 0.197 10 D C 2.394 178.729 176.300 0.058 0.000 0.987 10 D CA 0.926 54.962 54.000 0.058 0.000 0.829 10 D CB -0.081 40.741 40.800 0.037 0.000 0.961 10 D HN 0.081 nan 8.370 nan 0.000 0.460 11 R N 0.286 120.780 120.500 -0.009 0.000 2.092 11 R HA 0.004 4.345 4.340 0.002 0.000 0.231 11 R C 2.538 178.871 176.300 0.054 0.000 1.119 11 R CA 0.314 56.413 56.100 -0.003 0.000 0.970 11 R CB -0.928 29.366 30.300 -0.010 0.000 0.864 11 R HN 0.326 nan 8.270 nan 0.000 0.440 12 L N -0.606 120.668 121.223 0.085 0.000 2.046 12 L HA -0.188 4.153 4.340 0.002 0.000 0.208 12 L C 2.519 179.450 176.870 0.103 0.000 1.077 12 L CA 1.550 56.446 54.840 0.094 0.000 0.747 12 L CB -0.655 41.468 42.059 0.107 0.000 0.896 12 L HN 0.242 nan 8.230 nan 0.000 0.432 13 H N 0.572 119.665 119.070 0.038 0.000 2.352 13 H HA -0.192 4.365 4.556 0.002 0.000 0.299 13 H C 2.112 177.461 175.328 0.036 0.000 1.097 13 H CA 1.958 58.029 56.048 0.037 0.000 1.311 13 H CB 0.084 29.862 29.762 0.027 0.000 1.377 13 H HN 0.294 nan 8.280 nan 0.000 0.504 14 E N 0.078 120.264 120.200 -0.023 0.000 2.118 14 E HA -0.153 4.198 4.350 0.002 0.000 0.195 14 E C 2.031 178.587 176.600 -0.074 0.000 0.992 14 E CA 1.178 57.536 56.400 -0.069 0.000 0.804 14 E CB -0.060 29.643 29.700 0.006 0.000 0.741 14 E HN 0.537 nan 8.360 nan 0.000 0.458 15 L N -0.514 120.692 121.223 -0.027 0.000 2.551 15 L HA 0.015 4.356 4.340 0.002 0.000 0.228 15 L C 1.491 178.357 176.870 -0.007 0.000 1.153 15 L CA 0.582 55.422 54.840 -0.001 0.000 0.851 15 L CB -0.200 41.881 42.059 0.036 0.000 0.959 15 L HN 0.357 nan 8.230 nan 0.000 0.451 16 G N 0.475 109.238 108.800 -0.062 0.000 2.157 16 G HA2 -0.260 3.701 3.960 0.002 0.000 0.239 16 G HA3 -0.260 3.701 3.960 0.002 0.000 0.239 16 G C 0.219 175.151 174.900 0.052 0.000 0.982 16 G CA -0.376 44.696 45.100 -0.047 0.000 0.650 16 G HN 0.269 nan 8.290 nan 0.000 0.527 17 I N 1.051 121.680 120.570 0.098 0.000 2.452 17 I HA 0.273 4.444 4.170 0.002 0.000 0.287 17 I C 1.174 177.382 176.117 0.153 0.000 1.079 17 I CA 0.197 61.611 61.300 0.191 0.000 1.387 17 I CB 0.889 38.973 38.000 0.139 0.000 1.404 17 I HN 0.200 nan 8.210 nan 0.000 0.522 18 E N 4.244 124.563 120.200 0.198 0.000 2.562 18 E HA 0.166 4.517 4.350 0.002 0.000 0.214 18 E C -0.543 176.070 176.600 0.021 0.000 0.979 18 E CA 0.045 56.525 56.400 0.132 0.000 1.002 18 E CB 0.778 30.569 29.700 0.151 0.000 1.048 18 E HN 0.560 nan 8.360 nan 0.000 0.488 19 E N 0.744 120.868 120.200 -0.126 0.000 2.308 19 E HA 0.426 4.777 4.350 0.002 0.000 0.275 19 E C -1.210 174.972 176.600 -0.698 0.000 0.890 19 E CA -0.272 55.863 56.400 -0.443 0.000 0.754 19 E CB 2.392 31.750 29.700 -0.569 0.000 1.207 19 E HN -0.019 nan 8.360 nan 0.000 0.426 20 I N 3.578 123.788 120.570 -0.601 0.000 2.406 20 I HA 0.446 4.617 4.170 0.002 0.000 0.290 20 I C -0.659 175.034 176.117 -0.708 0.000 0.999 20 I CA -0.743 60.292 61.300 -0.443 0.000 1.124 20 I CB 0.710 38.719 38.000 0.014 0.000 1.289 20 I HN 0.364 nan 8.210 nan 0.000 0.441 21 F N 3.024 122.849 119.950 -0.209 0.000 2.403 21 F HA 0.879 5.408 4.527 0.003 0.000 0.326 21 F C 1.078 176.726 175.800 -0.252 0.000 1.099 21 F CA -0.186 57.589 58.000 -0.374 0.000 1.036 21 F CB 1.180 40.036 39.000 -0.241 0.000 1.336 21 F HN 0.609 nan 8.300 nan 0.000 0.497 22 G N -0.750 108.012 108.800 -0.064 0.000 2.315 22 G HA2 0.297 4.258 3.960 0.002 0.000 0.296 22 G HA3 0.297 4.258 3.960 0.002 0.000 0.296 22 G C -2.359 172.708 174.900 0.278 0.000 1.289 22 G CA -0.808 44.436 45.100 0.240 0.000 0.996 22 G HN 0.675 nan 8.290 nan 0.000 0.487 23 V N 1.614 121.800 119.914 0.453 0.000 2.638 23 V HA 0.648 4.769 4.120 0.002 0.000 0.306 23 V C -2.165 174.147 176.094 0.364 0.000 1.052 23 V CA -1.172 61.358 62.300 0.384 0.000 0.885 23 V CB 2.220 34.167 31.823 0.207 0.000 0.999 23 V HN 0.734 nan 8.190 nan 0.000 0.424 24 P HA 0.552 nan 4.420 nan 0.000 0.274 24 P C -0.113 177.252 177.300 0.108 0.000 1.237 24 P CA 0.034 63.202 63.100 0.112 0.000 0.793 24 P CB 0.998 32.713 31.700 0.026 0.000 0.977 25 G N -0.035 108.816 108.800 0.085 0.000 2.677 25 G HA2 0.308 4.269 3.960 0.002 0.000 0.291 25 G HA3 0.308 4.269 3.960 0.002 0.000 0.291 25 G C 0.210 175.136 174.900 0.044 0.000 1.435 25 G CA -0.541 44.617 45.100 0.095 0.000 0.826 25 G HN 0.462 nan 8.290 nan 0.000 0.491 26 D N -0.616 119.764 120.400 -0.034 0.000 2.182 26 D HA -0.202 4.439 4.640 0.002 0.000 0.201 26 D C 1.098 177.396 176.300 -0.004 0.000 0.986 26 D CA 1.331 55.284 54.000 -0.078 0.000 0.847 26 D CB -0.147 40.565 40.800 -0.146 0.000 0.942 26 D HN 0.356 nan 8.370 nan 0.000 0.467 27 Y N 1.289 121.675 120.300 0.143 0.000 2.632 27 Y HA 0.028 4.579 4.550 0.003 0.000 0.301 27 Y C 1.292 177.229 175.900 0.063 0.000 1.172 27 Y CA 0.889 59.042 58.100 0.089 0.000 1.328 27 Y CB -0.684 37.847 38.460 0.118 0.000 1.016 27 Y HN 0.261 nan 8.280 nan 0.000 0.529 28 N N -1.830 116.980 118.700 0.183 0.000 2.143 28 N HA 0.060 4.801 4.740 0.002 0.000 0.229 28 N C 0.759 176.303 175.510 0.057 0.000 1.294 28 N CA 0.119 53.249 53.050 0.134 0.000 0.883 28 N CB -0.839 37.735 38.487 0.145 0.000 1.148 28 N HN 0.224 nan 8.380 nan 0.000 0.511 29 L N 0.004 121.236 121.223 0.014 0.000 2.093 29 L HA -0.070 4.272 4.340 0.002 0.000 0.208 29 L C 2.590 179.423 176.870 -0.062 0.000 1.085 29 L CA 1.443 56.247 54.840 -0.060 0.000 0.755 29 L CB -0.366 41.663 42.059 -0.050 0.000 0.904 29 L HN 0.345 nan 8.230 nan 0.000 0.435 30 Q N -0.300 119.497 119.800 -0.004 0.000 2.119 30 Q HA -0.239 4.102 4.340 0.002 0.000 0.201 30 Q C 2.194 178.204 176.000 0.016 0.000 0.972 30 Q CA 1.611 57.411 55.803 -0.004 0.000 0.847 30 Q CB -0.081 28.667 28.738 0.017 0.000 0.903 30 Q HN 0.401 nan 8.270 nan 0.000 0.433 31 F N 0.366 120.257 119.950 -0.097 0.000 2.186 31 F HA -0.185 4.349 4.527 0.010 0.000 0.299 31 F C 1.705 177.414 175.800 -0.151 0.000 1.090 31 F CA 0.833 58.768 58.000 -0.108 0.000 1.307 31 F CB -0.249 38.696 39.000 -0.092 0.000 1.019 31 F HN 0.099 nan 8.300 nan 0.000 0.489 32 L N 0.442 121.469 121.223 -0.326 0.000 2.042 32 L HA -0.261 4.080 4.340 0.002 0.000 0.210 32 L C 2.070 178.679 176.870 -0.435 0.000 1.076 32 L CA 2.035 56.554 54.840 -0.536 0.000 0.749 32 L CB -1.388 40.334 42.059 -0.562 0.000 0.893 32 L HN 0.160 nan 8.230 nan 0.000 0.432 33 D N -0.460 119.770 120.400 -0.283 0.000 2.149 33 D HA -0.241 4.400 4.640 0.002 0.000 0.194 33 D C 2.242 178.413 176.300 -0.216 0.000 1.001 33 D CA 1.174 55.051 54.000 -0.205 0.000 0.849 33 D CB -0.065 40.657 40.800 -0.130 0.000 0.939 33 D HN 0.484 nan 8.370 nan 0.000 0.449 34 Q N -0.183 119.460 119.800 -0.263 0.000 2.119 34 Q HA -0.055 4.286 4.340 0.002 0.000 0.201 34 Q C 2.517 178.332 176.000 -0.307 0.000 0.972 34 Q CA 0.631 56.281 55.803 -0.255 0.000 0.847 34 Q CB 0.044 28.642 28.738 -0.232 0.000 0.903 34 Q HN 0.376 nan 8.270 nan 0.000 0.433 35 I N 0.519 120.814 120.570 -0.457 0.000 2.179 35 I HA -0.263 3.909 4.170 0.002 0.000 0.242 35 I C 2.050 178.057 176.117 -0.183 0.000 1.088 35 I CA 0.748 61.844 61.300 -0.339 0.000 1.357 35 I CB -0.284 37.493 38.000 -0.372 0.000 1.051 35 I HN 0.219 nan 8.210 nan 0.000 0.409 36 I N 0.523 120.979 120.570 -0.190 0.000 2.208 36 I HA -0.250 3.921 4.170 0.002 0.000 0.245 36 I C 2.600 178.667 176.117 -0.083 0.000 1.097 36 I CA 1.572 62.807 61.300 -0.108 0.000 1.363 36 I CB -1.255 36.671 38.000 -0.123 0.000 1.051 36 I HN 0.160 nan 8.210 nan 0.000 0.413 37 S N 0.413 116.052 115.700 -0.102 0.000 2.447 37 S HA -0.018 4.453 4.470 0.002 0.000 0.233 37 S C 0.915 175.478 174.600 -0.062 0.000 1.006 37 S CA 0.235 58.390 58.200 -0.074 0.000 0.957 37 S CB -0.118 63.036 63.200 -0.077 0.000 0.773 37 S HN 0.309 nan 8.310 nan 0.000 0.507 38 R N 2.825 123.281 120.500 -0.073 0.000 2.522 38 R HA 0.010 4.351 4.340 0.002 0.000 0.284 38 R C 1.403 177.678 176.300 -0.041 0.000 1.032 38 R CA 0.086 56.150 56.100 -0.059 0.000 1.049 38 R CB 0.135 30.397 30.300 -0.064 0.000 0.956 38 R HN 0.532 nan 8.270 nan 0.000 0.422 39 E N 2.037 122.215 120.200 -0.036 0.000 2.285 39 E HA -0.150 4.201 4.350 0.002 0.000 0.194 39 E C 0.094 176.684 176.600 -0.018 0.000 0.997 39 E CA 1.022 57.407 56.400 -0.025 0.000 0.845 39 E CB 0.140 29.827 29.700 -0.021 0.000 0.782 39 E HN 0.576 nan 8.360 nan 0.000 0.491 40 D N 0.076 120.458 120.400 -0.030 0.000 2.395 40 D HA 0.195 4.836 4.640 0.002 0.000 0.213 40 D C 0.153 176.479 176.300 0.044 0.000 1.110 40 D CA -0.340 53.659 54.000 -0.002 0.000 0.835 40 D CB 0.098 40.846 40.800 -0.088 0.000 0.965 40 D HN 0.074 nan 8.370 nan 0.000 0.505 41 M N 0.400 120.008 119.600 0.014 0.000 2.371 41 M HA 0.342 4.823 4.480 0.002 0.000 0.287 41 M C -1.940 174.355 176.300 -0.010 0.000 1.149 41 M CA -0.435 54.872 55.300 0.011 0.000 0.929 41 M CB 2.929 35.531 32.600 0.004 0.000 1.683 41 M HN -0.175 nan 8.290 nan 0.000 0.470 42 K N 3.466 123.848 120.400 -0.031 0.000 2.292 42 K HA 0.298 4.619 4.320 0.002 0.000 0.257 42 K C -1.600 174.978 176.600 -0.036 0.000 0.940 42 K CA -0.599 55.672 56.287 -0.026 0.000 0.811 42 K CB 1.365 33.837 32.500 -0.045 0.000 1.120 42 K HN 0.871 nan 8.250 nan 0.000 0.428 43 W N 7.677 128.883 121.300 -0.156 0.000 2.304 43 W HA 0.245 4.893 4.660 -0.019 0.000 0.313 43 W C -1.197 175.238 176.519 -0.139 0.000 1.323 43 W CA -0.402 56.846 57.345 -0.162 0.000 1.223 43 W CB 0.394 29.782 29.460 -0.120 0.000 1.237 43 W HN 0.450 nan 8.180 nan 0.000 0.535 44 I N 7.383 127.436 120.570 -0.861 0.000 2.502 44 I HA 0.191 4.362 4.170 0.002 0.000 0.276 44 I C 0.892 176.453 176.117 -0.927 0.000 1.057 44 I CA -0.574 60.317 61.300 -0.680 0.000 1.163 44 I CB 0.654 38.423 38.000 -0.386 0.000 1.288 44 I HN 0.442 nan 8.210 nan 0.000 0.479 45 G N 4.416 112.680 108.800 -0.894 0.000 2.403 45 G HA2 0.265 4.226 3.960 0.002 0.000 0.259 45 G HA3 0.265 4.226 3.960 0.002 0.000 0.259 45 G C -0.332 174.447 174.900 -0.203 0.000 1.244 45 G CA -0.232 44.533 45.100 -0.557 0.000 0.849 45 G HN 0.582 nan 8.290 nan 0.000 0.532 46 N N 0.300 118.929 118.700 -0.120 0.000 2.476 46 N HA 0.496 5.237 4.740 0.002 0.000 0.276 46 N C 1.350 176.866 175.510 0.009 0.000 1.204 46 N CA -0.020 52.995 53.050 -0.057 0.000 0.974 46 N CB 1.594 40.035 38.487 -0.077 0.000 1.204 46 N HN 0.448 nan 8.380 nan 0.000 0.543 47 A N 0.376 123.204 122.820 0.013 0.000 1.897 47 A HA -0.054 4.267 4.320 0.002 0.000 0.215 47 A C 0.499 178.109 177.584 0.043 0.000 1.181 47 A CA 1.518 53.581 52.037 0.043 0.000 0.620 47 A CB -0.714 18.327 19.000 0.068 0.000 0.821 47 A HN 0.853 nan 8.150 nan 0.000 0.443 48 N N -2.692 116.022 118.700 0.023 0.000 2.571 48 N HA 0.423 5.164 4.740 0.002 0.000 0.273 48 N C -0.386 175.111 175.510 -0.023 0.000 1.340 48 N CA -0.373 52.686 53.050 0.014 0.000 0.789 48 N CB 0.694 39.192 38.487 0.017 0.000 1.514 48 N HN -0.078 nan 8.380 nan 0.000 0.499 49 E N -0.395 119.793 120.200 -0.020 0.000 2.158 49 E HA 0.068 4.419 4.350 0.002 0.000 0.191 49 E C 1.373 177.872 176.600 -0.169 0.000 0.982 49 E CA 0.373 56.755 56.400 -0.031 0.000 0.823 49 E CB -0.161 29.569 29.700 0.050 0.000 0.766 49 E HN 0.510 nan 8.360 nan 0.000 0.468 50 L N 1.326 122.432 121.223 -0.195 0.000 2.012 50 L HA -0.200 4.141 4.340 0.002 0.000 0.210 50 L C 1.355 177.873 176.870 -0.587 0.000 1.073 50 L CA 1.795 56.395 54.840 -0.399 0.000 0.748 50 L CB -0.522 41.343 42.059 -0.323 0.000 0.891 50 L HN 0.066 nan 8.230 nan 0.000 0.431 51 N N 0.132 118.644 118.700 -0.314 0.000 2.166 51 N HA -0.123 4.618 4.740 0.002 0.000 0.186 51 N C 1.857 177.199 175.510 -0.280 0.000 1.019 51 N CA 1.523 54.451 53.050 -0.203 0.000 0.856 51 N CB -0.625 37.816 38.487 -0.077 0.000 0.993 51 N HN 0.523 nan 8.380 nan 0.000 0.426 52 A N 0.905 123.541 122.820 -0.307 0.000 1.908 52 A HA -0.186 4.135 4.320 0.002 0.000 0.218 52 A C 2.450 179.620 177.584 -0.691 0.000 1.181 52 A CA 2.298 54.108 52.037 -0.379 0.000 0.627 52 A CB -0.924 17.954 19.000 -0.205 0.000 0.818 52 A HN 0.482 nan 8.150 nan 0.000 0.445 53 S N -1.332 113.835 115.700 -0.887 0.000 2.368 53 S HA -0.193 4.278 4.470 0.002 0.000 0.224 53 S C 1.937 176.341 174.600 -0.326 0.000 1.029 53 S CA 1.486 59.072 58.200 -1.025 0.000 0.988 53 S CB -0.817 61.972 63.200 -0.684 0.000 0.838 53 S HN 0.495 nan 8.310 nan 0.000 0.462 54 Y N 1.380 121.541 120.300 -0.231 0.000 2.165 54 Y HA 0.041 4.592 4.550 0.001 0.000 0.286 54 Y C 2.677 178.411 175.900 -0.277 0.000 1.155 54 Y CA 0.681 58.717 58.100 -0.107 0.000 1.164 54 Y CB -1.057 37.329 38.460 -0.122 0.000 0.978 54 Y HN 0.340 nan 8.280 nan 0.000 0.513 55 M N -0.465 118.975 119.600 -0.267 0.000 2.117 55 M HA -0.168 4.313 4.480 0.002 0.000 0.262 55 M C 2.314 178.295 176.300 -0.531 0.000 1.065 55 M CA 1.923 56.901 55.300 -0.538 0.000 1.114 55 M CB -0.163 31.924 32.600 -0.856 0.000 1.361 55 M HN 0.205 nan 8.290 nan 0.000 0.408 56 A N -0.018 122.566 122.820 -0.393 0.000 1.933 56 A HA -0.238 4.084 4.320 0.002 0.000 0.218 56 A C 1.914 179.589 177.584 0.151 0.000 1.175 56 A CA 2.082 54.115 52.037 -0.007 0.000 0.628 56 A CB -1.087 18.035 19.000 0.203 0.000 0.814 56 A HN 0.664 nan 8.150 nan 0.000 0.444 57 D N -0.206 120.273 120.400 0.132 0.000 2.092 57 D HA -0.126 4.515 4.640 0.002 0.000 0.193 57 D C 2.107 178.540 176.300 0.222 0.000 0.994 57 D CA 1.782 55.920 54.000 0.231 0.000 0.828 57 D CB -0.500 40.516 40.800 0.361 0.000 0.963 57 D HN 0.324 nan 8.370 nan 0.000 0.450 58 G N -0.692 108.189 108.800 0.135 0.000 2.440 58 G HA2 -0.323 3.639 3.960 0.002 0.000 0.218 58 G HA3 -0.323 3.639 3.960 0.002 0.000 0.218 58 G C 1.682 176.659 174.900 0.129 0.000 1.154 58 G CA 0.999 46.150 45.100 0.086 0.000 0.767 58 G HN 0.412 nan 8.290 nan 0.000 0.552 59 Y N 1.852 122.156 120.300 0.007 0.000 2.145 59 Y HA -0.026 4.525 4.550 0.002 0.000 0.286 59 Y C 2.968 178.937 175.900 0.115 0.000 1.145 59 Y CA 1.635 59.788 58.100 0.088 0.000 1.148 59 Y CB -0.234 38.350 38.460 0.207 0.000 0.981 59 Y HN 0.255 nan 8.280 nan 0.000 0.507 60 A N 0.559 123.577 122.820 0.330 0.000 1.933 60 A HA -0.217 4.104 4.320 0.002 0.000 0.218 60 A C 2.219 179.873 177.584 0.118 0.000 1.175 60 A CA 1.823 53.992 52.037 0.220 0.000 0.628 60 A CB -0.644 18.486 19.000 0.216 0.000 0.814 60 A HN 0.551 nan 8.150 nan 0.000 0.444 61 R N -1.201 119.376 120.500 0.128 0.000 2.159 61 R HA -0.081 4.260 4.340 0.002 0.000 0.237 61 R C 1.805 178.148 176.300 0.071 0.000 1.131 61 R CA 1.781 57.947 56.100 0.111 0.000 0.982 61 R CB -0.339 30.049 30.300 0.147 0.000 0.868 61 R HN 0.536 nan 8.270 nan 0.000 0.453 62 T N -0.336 114.236 114.554 0.030 0.000 3.046 62 T HA 0.029 4.380 4.350 0.002 0.000 0.242 62 T C 1.499 176.154 174.700 -0.075 0.000 1.018 62 T CA 0.507 62.602 62.100 -0.008 0.000 1.131 62 T CB 0.196 69.066 68.868 0.004 0.000 0.904 62 T HN -0.036 nan 8.240 nan 0.000 0.459 63 K N 0.964 121.257 120.400 -0.179 0.000 2.305 63 K HA 0.076 4.397 4.320 0.002 0.000 0.199 63 K C 0.450 177.019 176.600 -0.053 0.000 1.047 63 K CA 0.673 56.836 56.287 -0.207 0.000 0.976 63 K CB 0.216 32.400 32.500 -0.526 0.000 0.765 63 K HN -0.075 nan 8.250 nan 0.000 0.474 64 K N -2.573 117.826 120.400 -0.002 0.000 3.512 64 K HA -0.178 4.143 4.320 0.002 0.000 0.309 64 K C -0.636 175.988 176.600 0.040 0.000 1.350 64 K CA 1.116 57.416 56.287 0.022 0.000 0.960 64 K CB -2.505 30.003 32.500 0.013 0.000 1.290 64 K HN 0.290 nan 8.250 nan 0.000 0.454 65 A N -0.624 122.257 122.820 0.101 0.000 2.605 65 A HA 0.871 5.192 4.320 0.002 0.000 0.294 65 A C -1.473 176.292 177.584 0.302 0.000 1.062 65 A CA -0.004 52.122 52.037 0.148 0.000 0.682 65 A CB 1.813 20.877 19.000 0.107 0.000 1.278 65 A HN 0.797 nan 8.150 nan 0.000 0.410 66 A N -0.399 122.588 122.820 0.278 0.000 2.610 66 A HA 1.056 5.377 4.320 0.002 0.000 0.291 66 A C -0.629 177.083 177.584 0.214 0.000 1.086 66 A CA 0.016 52.246 52.037 0.321 0.000 0.677 66 A CB 1.081 20.332 19.000 0.418 0.000 1.278 66 A HN 2.692 nan 8.150 nan 0.000 0.414 67 A N 0.213 123.138 122.820 0.175 0.000 2.520 67 A HA 0.908 5.229 4.320 0.002 0.000 0.298 67 A C -0.948 176.808 177.584 0.287 0.000 1.051 67 A CA -0.315 51.823 52.037 0.168 0.000 0.690 67 A CB 0.808 19.862 19.000 0.090 0.000 1.281 67 A HN 2.113 nan 8.150 nan 0.000 0.402 68 F N 0.288 120.314 119.950 0.127 0.000 2.613 68 F HA 0.868 5.394 4.527 -0.001 0.000 0.314 68 F C -1.531 174.374 175.800 0.176 0.000 1.075 68 F CA -1.409 56.686 58.000 0.159 0.000 0.945 68 F CB 1.520 40.619 39.000 0.164 0.000 1.310 68 F HN 0.537 nan 8.300 nan 0.000 0.467 69 L N 2.713 124.142 121.223 0.343 0.000 2.362 69 L HA 0.826 5.168 4.340 0.002 0.000 0.275 69 L C -0.460 176.603 176.870 0.323 0.000 0.998 69 L CA 0.060 55.057 54.840 0.262 0.000 0.820 69 L CB 1.929 44.239 42.059 0.417 0.000 1.270 69 L HN 1.050 nan 8.230 nan 0.000 0.415 70 T N -0.015 114.639 114.554 0.167 0.000 2.888 70 T HA 0.565 4.916 4.350 0.002 0.000 0.288 70 T C -0.155 174.641 174.700 0.160 0.000 1.063 70 T CA -0.650 61.567 62.100 0.195 0.000 1.010 70 T CB 1.515 70.493 68.868 0.182 0.000 1.214 70 T HN 0.593 nan 8.240 nan 0.000 0.533 71 T N 0.596 115.257 114.554 0.178 0.000 2.928 71 T HA 0.495 4.846 4.350 0.002 0.000 0.284 71 T C -0.483 174.379 174.700 0.270 0.000 1.008 71 T CA -0.663 61.593 62.100 0.261 0.000 1.057 71 T CB -0.034 69.005 68.868 0.286 0.000 1.018 71 T HN 0.499 nan 8.240 nan 0.000 0.493 72 F N 3.409 123.521 119.950 0.270 0.000 2.623 72 F HA 0.288 4.816 4.527 0.001 0.000 0.381 72 F C 1.519 177.413 175.800 0.156 0.000 1.081 72 F CA 1.914 60.060 58.000 0.242 0.000 1.293 72 F CB -0.242 38.908 39.000 0.251 0.000 1.006 72 F HN 0.900 nan 8.300 nan 0.000 0.578 73 G N 3.674 112.081 108.800 -0.655 0.000 5.431 73 G HA2 -0.400 3.561 3.960 0.002 0.000 0.322 73 G HA3 -0.400 3.561 3.960 0.002 0.000 0.322 73 G C 1.078 175.640 174.900 -0.564 0.000 1.370 73 G CA 1.279 45.801 45.100 -0.964 0.000 0.963 73 G HN 1.544 nan 8.290 nan 0.000 0.797 74 V N -0.088 119.601 119.914 -0.376 0.000 2.427 74 V HA 0.336 4.457 4.120 0.002 0.000 0.248 74 V C 2.730 178.712 176.094 -0.186 0.000 1.051 74 V CA 2.536 64.652 62.300 -0.306 0.000 1.048 74 V CB -1.323 30.261 31.823 -0.399 0.000 0.666 74 V HN 1.456 nan 8.190 nan 0.000 0.456 75 G N 1.549 110.271 108.800 -0.129 0.000 2.424 75 G HA2 -0.205 3.756 3.960 0.002 0.000 0.214 75 G HA3 -0.205 3.756 3.960 0.002 0.000 0.214 75 G C 1.488 176.412 174.900 0.039 0.000 1.202 75 G CA 0.924 46.022 45.100 -0.004 0.000 0.793 75 G HN 0.769 nan 8.290 nan 0.000 0.534 76 E N 0.502 120.716 120.200 0.023 0.000 2.058 76 E HA -0.111 4.241 4.350 0.002 0.000 0.194 76 E C 2.425 179.103 176.600 0.131 0.000 0.997 76 E CA 0.939 57.411 56.400 0.120 0.000 0.801 76 E CB -0.581 29.192 29.700 0.122 0.000 0.746 76 E HN 0.417 nan 8.360 nan 0.000 0.450 77 L N 1.228 122.425 121.223 -0.043 0.000 2.141 77 L HA -0.110 4.231 4.340 0.002 0.000 0.209 77 L C 2.624 179.468 176.870 -0.044 0.000 1.094 77 L CA 1.080 55.871 54.840 -0.081 0.000 0.763 77 L CB -0.340 41.587 42.059 -0.219 0.000 0.908 77 L HN 0.173 nan 8.230 nan 0.000 0.437 78 S N 0.030 115.706 115.700 -0.039 0.000 2.399 78 S HA -0.126 4.345 4.470 0.002 0.000 0.231 78 S C 1.977 176.565 174.600 -0.020 0.000 1.022 78 S CA 1.243 59.426 58.200 -0.028 0.000 0.983 78 S CB -0.127 63.056 63.200 -0.029 0.000 0.803 78 S HN 0.513 nan 8.310 nan 0.000 0.480 79 A N 0.414 123.262 122.820 0.046 0.000 2.218 79 A HA 0.318 4.639 4.320 0.002 0.000 0.209 79 A C 1.810 179.456 177.584 0.105 0.000 1.168 79 A CA -0.034 52.041 52.037 0.063 0.000 0.804 79 A CB -0.407 18.766 19.000 0.287 0.000 0.834 79 A HN 0.499 nan 8.150 nan 0.000 0.482 80 I N -0.020 120.609 120.570 0.098 0.000 2.361 80 I HA -0.249 3.922 4.170 0.002 0.000 0.251 80 I C 2.106 178.256 176.117 0.054 0.000 1.133 80 I CA 1.713 63.053 61.300 0.066 0.000 1.413 80 I CB -0.064 37.867 38.000 -0.116 0.000 1.073 80 I HN 0.445 nan 8.210 nan 0.000 0.424 81 N N 0.880 119.631 118.700 0.085 0.000 2.166 81 N HA -0.132 4.610 4.740 0.002 0.000 0.186 81 N C 1.837 177.501 175.510 0.257 0.000 1.019 81 N CA 1.711 54.896 53.050 0.225 0.000 0.856 81 N CB -0.431 38.211 38.487 0.258 0.000 0.993 81 N HN 0.379 nan 8.380 nan 0.000 0.426 82 G N 0.201 109.069 108.800 0.113 0.000 2.402 82 G HA2 -0.186 3.775 3.960 0.002 0.000 0.216 82 G HA3 -0.186 3.775 3.960 0.002 0.000 0.216 82 G C 1.445 176.422 174.900 0.129 0.000 1.162 82 G CA 0.666 45.861 45.100 0.159 0.000 0.777 82 G HN 0.331 nan 8.290 nan 0.000 0.539 83 L N 1.130 122.434 121.223 0.136 0.000 2.093 83 L HA 0.178 4.519 4.340 0.002 0.000 0.208 83 L C 3.148 180.019 176.870 0.000 0.000 1.085 83 L CA 1.758 56.700 54.840 0.170 0.000 0.755 83 L CB -0.446 41.792 42.059 0.300 0.000 0.904 83 L HN 0.248 nan 8.230 nan 0.000 0.435 84 A N -0.710 122.015 122.820 -0.158 0.000 1.908 84 A HA -0.133 4.188 4.320 0.002 0.000 0.218 84 A C 2.356 179.369 177.584 -0.952 0.000 1.181 84 A CA 1.650 53.382 52.037 -0.508 0.000 0.627 84 A CB -1.518 17.145 19.000 -0.561 0.000 0.818 84 A HN 0.484 nan 8.150 nan 0.000 0.445 85 G N -0.839 107.339 108.800 -1.036 0.000 2.418 85 G HA2 -0.158 3.803 3.960 0.002 0.000 0.217 85 G HA3 -0.158 3.803 3.960 0.002 0.000 0.217 85 G C 1.805 176.523 174.900 -0.303 0.000 1.158 85 G CA 1.306 45.879 45.100 -0.879 0.000 0.771 85 G HN 0.489 nan 8.290 nan 0.000 0.545 86 S N -0.558 115.075 115.700 -0.111 0.000 2.399 86 S HA -0.111 4.360 4.470 0.002 0.000 0.231 86 S C 1.922 176.526 174.600 0.007 0.000 1.022 86 S CA 1.061 59.271 58.200 0.016 0.000 0.983 86 S CB -0.351 62.919 63.200 0.117 0.000 0.803 86 S HN 0.531 nan 8.310 nan 0.000 0.480 87 Y N 2.109 122.328 120.300 -0.135 0.000 2.184 87 Y HA -0.030 4.521 4.550 0.001 0.000 0.290 87 Y C 2.445 178.287 175.900 -0.097 0.000 1.129 87 Y CA 0.959 58.995 58.100 -0.106 0.000 1.144 87 Y CB -0.712 37.666 38.460 -0.136 0.000 0.995 87 Y HN 0.215 nan 8.280 nan 0.000 0.513 88 A N 0.311 123.097 122.820 -0.055 0.000 1.883 88 A HA -0.220 4.101 4.320 0.002 0.000 0.217 88 A C 1.867 179.471 177.584 0.032 0.000 1.186 88 A CA 2.150 54.171 52.037 -0.028 0.000 0.624 88 A CB -0.616 18.329 19.000 -0.091 0.000 0.822 88 A HN 0.631 nan 8.150 nan 0.000 0.444 89 E N -1.286 118.933 120.200 0.031 0.000 2.463 89 E HA 0.104 4.455 4.350 0.002 0.000 0.193 89 E C -0.357 176.364 176.600 0.202 0.000 1.041 89 E CA 0.020 56.521 56.400 0.168 0.000 0.879 89 E CB -0.158 29.636 29.700 0.158 0.000 0.997 89 E HN 0.681 nan 8.360 nan 0.000 0.478 90 N N 0.814 119.541 118.700 0.046 0.000 2.753 90 N HA -0.163 4.578 4.740 0.002 0.000 0.252 90 N C -1.615 173.890 175.510 -0.009 0.000 1.071 90 N CA -0.058 52.974 53.050 -0.032 0.000 0.690 90 N CB -0.649 37.833 38.487 -0.008 0.000 0.906 90 N HN -0.016 nan 8.380 nan 0.000 0.552 91 L N 1.382 122.612 121.223 0.011 0.000 2.322 91 L HA 0.551 4.893 4.340 0.002 0.000 0.281 91 L C -1.829 175.062 176.870 0.035 0.000 1.014 91 L CA -1.694 53.170 54.840 0.040 0.000 0.815 91 L CB 1.433 43.552 42.059 0.100 0.000 1.247 91 L HN 0.035 nan 8.230 nan 0.000 0.421 92 P HA 0.112 nan 4.420 nan 0.000 0.252 92 P C -0.790 176.569 177.300 0.099 0.000 1.727 92 P CA -0.029 63.083 63.100 0.021 0.000 1.134 92 P CB 0.262 31.938 31.700 -0.039 0.000 1.876 93 V N 4.080 124.075 119.914 0.136 0.000 2.435 93 V HA 0.239 4.360 4.120 0.002 0.000 0.290 93 V C 0.493 176.679 176.094 0.154 0.000 1.030 93 V CA -0.835 61.584 62.300 0.199 0.000 0.881 93 V CB 2.324 34.321 31.823 0.289 0.000 0.983 93 V HN 0.104 nan 8.190 nan 0.000 0.445 94 V N 4.301 124.284 119.914 0.115 0.000 2.383 94 V HA 0.344 4.465 4.120 0.002 0.000 0.275 94 V C 0.189 176.192 176.094 -0.152 0.000 1.036 94 V CA -0.448 61.861 62.300 0.016 0.000 0.889 94 V CB 1.324 33.157 31.823 0.017 0.000 0.985 94 V HN 0.968 nan 8.190 nan 0.000 0.459 95 E N 4.984 125.012 120.200 -0.287 0.000 2.174 95 E HA 0.530 4.881 4.350 0.002 0.000 0.282 95 E C -1.098 175.192 176.600 -0.516 0.000 0.992 95 E CA -0.597 55.391 56.400 -0.688 0.000 0.803 95 E CB 1.107 30.381 29.700 -0.710 0.000 1.090 95 E HN 0.654 nan 8.360 nan 0.000 0.396 96 I N 4.600 124.896 120.570 -0.457 0.000 2.354 96 I HA 0.239 4.410 4.170 0.002 0.000 0.292 96 I C -0.756 175.169 176.117 -0.319 0.000 0.989 96 I CA -0.978 60.114 61.300 -0.348 0.000 1.188 96 I CB 1.723 39.608 38.000 -0.192 0.000 1.342 96 I HN 0.281 nan 8.210 nan 0.000 0.457 97 V N 5.393 125.088 119.914 -0.365 0.000 2.334 97 V HA 0.447 4.568 4.120 0.002 0.000 0.281 97 V C 0.700 176.748 176.094 -0.076 0.000 1.016 97 V CA -0.689 61.491 62.300 -0.200 0.000 0.832 97 V CB 1.302 32.965 31.823 -0.265 0.000 0.999 97 V HN 0.897 nan 8.190 nan 0.000 0.439 98 G N 3.692 112.513 108.800 0.035 0.000 2.378 98 G HA2 0.493 4.454 3.960 0.002 0.000 0.255 98 G HA3 0.493 4.454 3.960 0.002 0.000 0.255 98 G C 0.156 175.154 174.900 0.164 0.000 1.270 98 G CA 0.166 45.312 45.100 0.077 0.000 0.876 98 G HN 0.885 nan 8.290 nan 0.000 0.521 99 S N 2.716 118.413 115.700 -0.004 0.000 2.671 99 S HA 0.804 5.275 4.470 0.002 0.000 0.299 99 S C -2.998 171.287 174.600 -0.524 0.000 1.116 99 S CA -1.638 56.400 58.200 -0.270 0.000 0.912 99 S CB 2.607 65.667 63.200 -0.233 0.000 1.130 99 S HN 0.322 nan 8.310 nan 0.000 0.501 100 P HA 0.150 nan 4.420 nan 0.000 0.270 100 P C 0.241 177.265 177.300 -0.460 0.000 1.227 100 P CA -0.080 62.560 63.100 -0.767 0.000 0.788 100 P CB -0.064 31.096 31.700 -0.900 0.000 0.926 101 T N -1.579 112.803 114.554 -0.287 0.000 2.908 101 T HA -0.010 4.341 4.350 0.002 0.000 0.325 101 T C 1.258 175.780 174.700 -0.297 0.000 1.092 101 T CA 0.122 62.086 62.100 -0.225 0.000 1.125 101 T CB -0.285 68.499 68.868 -0.141 0.000 1.016 101 T HN 0.231 nan 8.240 nan 0.000 0.550 102 S N 1.384 116.944 115.700 -0.233 0.000 2.374 102 S HA -0.178 4.293 4.470 0.002 0.000 0.227 102 S C 1.900 176.363 174.600 -0.228 0.000 1.037 102 S CA 1.701 59.764 58.200 -0.229 0.000 1.024 102 S CB -0.482 62.623 63.200 -0.160 0.000 0.861 102 S HN 0.896 nan 8.310 nan 0.000 0.456 103 K N 1.095 121.386 120.400 -0.182 0.000 2.057 103 K HA -0.056 4.265 4.320 0.002 0.000 0.206 103 K C 1.934 178.422 176.600 -0.186 0.000 1.050 103 K CA 1.210 57.406 56.287 -0.151 0.000 0.935 103 K CB -0.271 32.165 32.500 -0.106 0.000 0.715 103 K HN 0.159 nan 8.250 nan 0.000 0.439 104 V N 1.852 121.626 119.914 -0.234 0.000 2.332 104 V HA -0.276 3.845 4.120 0.002 0.000 0.248 104 V C 2.392 178.207 176.094 -0.465 0.000 1.055 104 V CA 1.925 64.064 62.300 -0.268 0.000 1.038 104 V CB -0.500 31.167 31.823 -0.260 0.000 0.651 104 V HN 0.452 nan 8.190 nan 0.000 0.450 105 Q N -0.239 119.117 119.800 -0.740 0.000 2.050 105 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 105 Q C 2.193 177.963 176.000 -0.384 0.000 0.980 105 Q CA 1.887 57.056 55.803 -1.056 0.000 0.840 105 Q CB -0.350 27.837 28.738 -0.919 0.000 0.898 105 Q HN 0.679 nan 8.270 nan 0.000 0.424 106 N N 0.771 119.322 118.700 -0.248 0.000 2.244 106 N HA -0.144 4.597 4.740 0.002 0.000 0.183 106 N C 0.914 176.387 175.510 -0.062 0.000 1.016 106 N CA 1.148 54.127 53.050 -0.118 0.000 0.866 106 N CB 0.058 38.481 38.487 -0.107 0.000 0.980 106 N HN 0.090 nan 8.380 nan 0.000 0.430 107 D N -0.598 119.758 120.400 -0.073 0.000 2.347 107 D HA 0.098 4.739 4.640 0.002 0.000 0.215 107 D C 0.923 177.245 176.300 0.036 0.000 0.976 107 D CA 0.965 54.949 54.000 -0.027 0.000 0.884 107 D CB -0.448 40.327 40.800 -0.043 0.000 0.915 107 D HN 0.391 nan 8.370 nan 0.000 0.526 108 G N 1.278 110.149 108.800 0.118 0.000 2.221 108 G HA2 -0.293 3.668 3.960 0.002 0.000 0.265 108 G HA3 -0.293 3.668 3.960 0.002 0.000 0.265 108 G C 0.140 175.240 174.900 0.333 0.000 1.041 108 G CA -0.026 45.245 45.100 0.284 0.000 0.807 108 G HN 0.094 nan 8.290 nan 0.000 0.502 109 K N -0.304 120.281 120.400 0.308 0.000 2.382 109 K HA 0.276 4.597 4.320 0.002 0.000 0.275 109 K C 0.466 177.355 176.600 0.482 0.000 1.009 109 K CA -0.759 55.681 56.287 0.255 0.000 0.970 109 K CB 0.185 32.776 32.500 0.151 0.000 0.934 109 K HN 0.053 nan 8.250 nan 0.000 0.479 110 F N 2.717 122.733 119.950 0.110 0.000 2.661 110 F HA 0.052 4.580 4.527 0.001 0.000 0.356 110 F C 0.754 176.623 175.800 0.114 0.000 1.244 110 F CA -1.214 56.838 58.000 0.087 0.000 1.290 110 F CB -1.134 37.906 39.000 0.066 0.000 1.677 110 F HN 0.070 nan 8.300 nan 0.000 0.649 111 V N -0.384 119.714 119.914 0.307 0.000 3.109 111 V HA 0.439 4.561 4.120 0.002 0.000 0.317 111 V C 0.626 176.838 176.094 0.197 0.000 1.074 111 V CA -1.022 61.421 62.300 0.238 0.000 1.033 111 V CB 1.106 33.045 31.823 0.194 0.000 1.111 111 V HN 0.588 nan 8.190 nan 0.000 0.458 112 H N 1.469 120.637 119.070 0.163 0.000 2.948 112 H HA 0.145 4.702 4.556 0.001 0.000 0.351 112 H C 0.184 175.617 175.328 0.174 0.000 1.079 112 H CA 0.861 56.940 56.048 0.052 0.000 1.407 112 H CB -0.172 29.474 29.762 -0.194 0.000 1.373 112 H HN 1.017 nan 8.280 nan 0.000 0.605 113 H N -1.051 118.235 119.070 0.360 0.000 2.969 113 H HA -0.172 4.384 4.556 0.001 0.000 0.269 113 H C 0.257 175.836 175.328 0.419 0.000 1.230 113 H CA 0.995 57.256 56.048 0.354 0.000 1.123 113 H CB -2.395 27.663 29.762 0.492 0.000 1.289 113 H HN 1.007 nan 8.280 nan 0.000 0.364 114 T N -3.199 111.595 114.554 0.400 0.000 2.888 114 T HA 0.689 5.040 4.350 0.002 0.000 0.288 114 T C 1.193 175.993 174.700 0.166 0.000 1.063 114 T CA -0.959 61.325 62.100 0.307 0.000 1.010 114 T CB 1.581 70.463 68.868 0.023 0.000 1.214 114 T HN 0.071 nan 8.240 nan 0.000 0.533 115 L N 0.993 122.261 121.223 0.075 0.000 2.611 115 L HA 0.429 4.770 4.340 0.002 0.000 0.229 115 L C 1.643 178.395 176.870 -0.196 0.000 1.137 115 L CA 0.120 54.949 54.840 -0.018 0.000 0.901 115 L CB -0.836 41.216 42.059 -0.012 0.000 1.098 115 L HN 1.108 nan 8.230 nan 0.000 0.456 116 A N 1.743 124.368 122.820 -0.325 0.000 2.791 116 A HA -0.229 4.092 4.320 0.002 0.000 0.292 116 A C 0.791 177.655 177.584 -1.201 0.000 1.487 116 A CA 1.175 52.691 52.037 -0.869 0.000 0.760 116 A CB -1.813 16.755 19.000 -0.720 0.000 1.031 116 A HN 0.728 nan 8.150 nan 0.000 0.503 117 D N -2.151 117.908 120.400 -0.568 0.000 2.527 117 D HA 0.390 5.031 4.640 0.002 0.000 0.224 117 D C 1.249 177.543 176.300 -0.009 0.000 1.217 117 D CA 0.731 54.589 54.000 -0.238 0.000 0.819 117 D CB -0.621 40.126 40.800 -0.090 0.000 1.061 117 D HN 1.737 nan 8.370 nan 0.000 0.515 118 G N 0.774 109.579 108.800 0.007 0.000 2.166 118 G HA2 -0.274 3.687 3.960 0.002 0.000 0.260 118 G HA3 -0.274 3.687 3.960 0.002 0.000 0.260 118 G C -0.342 174.543 174.900 -0.025 0.000 0.986 118 G CA 0.368 45.545 45.100 0.129 0.000 0.683 118 G HN 0.553 nan 8.290 nan 0.000 0.527 119 D N -0.602 119.630 120.400 -0.280 0.000 2.392 119 D HA 0.548 5.189 4.640 0.002 0.000 0.228 119 D C 0.498 176.485 176.300 -0.521 0.000 1.074 119 D CA -0.892 52.903 54.000 -0.341 0.000 0.838 119 D CB 0.188 40.663 40.800 -0.541 0.000 1.067 119 D HN 0.040 nan 8.370 nan 0.000 0.511 120 F N 2.233 122.086 119.950 -0.162 0.000 2.639 120 F HA 0.268 4.796 4.527 0.001 0.000 0.300 120 F C 1.808 177.625 175.800 0.029 0.000 1.109 120 F CA -0.127 57.875 58.000 0.004 0.000 1.335 120 F CB 0.588 39.509 39.000 -0.131 0.000 1.014 120 F HN 0.175 nan 8.300 nan 0.000 0.537 121 K N -1.121 119.217 120.400 -0.104 0.000 2.402 121 K HA 0.104 4.425 4.320 0.002 0.000 0.204 121 K C 1.312 177.811 176.600 -0.168 0.000 1.056 121 K CA -0.061 56.180 56.287 -0.078 0.000 1.069 121 K CB 0.166 32.624 32.500 -0.070 0.000 0.888 121 K HN 0.205 nan 8.250 nan 0.000 0.546 122 H N 0.241 119.117 119.070 -0.323 0.000 2.352 122 H HA -0.121 4.436 4.556 0.002 0.000 0.299 122 H C 1.610 176.812 175.328 -0.212 0.000 1.097 122 H CA 1.507 57.338 56.048 -0.362 0.000 1.311 122 H CB -0.087 29.305 29.762 -0.616 0.000 1.377 122 H HN 0.123 nan 8.280 nan 0.000 0.504 123 F N 0.041 120.061 119.950 0.117 0.000 2.206 123 F HA -0.048 4.481 4.527 0.002 0.000 0.298 123 F C 2.827 178.705 175.800 0.130 0.000 1.090 123 F CA 0.463 58.503 58.000 0.066 0.000 1.323 123 F CB -0.838 38.105 39.000 -0.095 0.000 1.028 123 F HN 0.045 nan 8.300 nan 0.000 0.492 124 M N 0.547 120.260 119.600 0.189 0.000 2.117 124 M HA -0.234 4.247 4.480 0.002 0.000 0.262 124 M C 2.362 178.601 176.300 -0.101 0.000 1.065 124 M CA 1.741 56.976 55.300 -0.108 0.000 1.114 124 M CB -0.189 32.412 32.600 0.002 0.000 1.361 124 M HN 0.118 nan 8.290 nan 0.000 0.408 125 K N 0.294 120.687 120.400 -0.012 0.000 2.063 125 K HA -0.180 4.141 4.320 0.002 0.000 0.208 125 K C 1.707 178.295 176.600 -0.020 0.000 1.048 125 K CA 1.921 58.196 56.287 -0.019 0.000 0.928 125 K CB -0.173 32.330 32.500 0.004 0.000 0.713 125 K HN 0.402 nan 8.250 nan 0.000 0.442 126 M N -0.300 119.313 119.600 0.021 0.000 2.358 126 M HA -0.128 4.353 4.480 0.002 0.000 0.264 126 M C 1.117 177.326 176.300 -0.151 0.000 1.064 126 M CA 1.355 56.633 55.300 -0.036 0.000 1.093 126 M CB -0.119 32.486 32.600 0.008 0.000 1.401 126 M HN 0.232 nan 8.290 nan 0.000 0.440 127 H N -0.449 118.516 119.070 -0.176 0.000 2.539 127 H HA 0.040 4.597 4.556 0.002 0.000 0.267 127 H C 1.603 176.787 175.328 -0.240 0.000 0.982 127 H CA 0.538 56.443 56.048 -0.238 0.000 1.146 127 H CB 0.064 29.551 29.762 -0.457 0.000 1.382 127 H HN 0.417 nan 8.280 nan 0.000 0.577 128 E N 0.337 120.471 120.200 -0.110 0.000 2.058 128 E HA -0.151 4.200 4.350 0.002 0.000 0.194 128 E C -0.580 175.915 176.600 -0.174 0.000 0.997 128 E CA 1.271 57.600 56.400 -0.118 0.000 0.801 128 E CB -0.641 29.009 29.700 -0.084 0.000 0.746 128 E HN 0.483 nan 8.360 nan 0.000 0.450 129 P HA -0.089 nan 4.420 nan 0.000 0.226 129 P C 0.702 177.651 177.300 -0.585 0.000 1.153 129 P CA 0.952 63.879 63.100 -0.288 0.000 0.777 129 P CB 0.188 31.772 31.700 -0.195 0.000 0.794 130 V N -4.912 114.681 119.914 -0.534 0.000 3.070 130 V HA 0.351 4.472 4.120 0.002 0.000 0.345 130 V C 0.020 175.896 176.094 -0.363 0.000 1.403 130 V CA -0.098 61.796 62.300 -0.676 0.000 1.155 130 V CB -0.563 31.066 31.823 -0.323 0.000 1.140 130 V HN 0.056 nan 8.190 nan 0.000 0.505 131 T N -3.230 111.158 114.554 -0.277 0.000 2.912 131 T HA 0.806 5.157 4.350 0.002 0.000 0.299 131 T C 0.724 175.521 174.700 0.162 0.000 1.052 131 T CA 0.151 62.294 62.100 0.071 0.000 0.996 131 T CB 2.075 70.981 68.868 0.062 0.000 1.070 131 T HN 0.375 nan 8.240 nan 0.000 0.465 132 A N 1.538 124.525 122.820 0.278 0.000 2.016 132 A HA 0.705 5.026 4.320 0.002 0.000 0.217 132 A C 1.201 178.857 177.584 0.119 0.000 1.162 132 A CA 0.763 52.930 52.037 0.217 0.000 0.662 132 A CB -0.521 18.576 19.000 0.161 0.000 0.812 132 A HN 1.650 nan 8.150 nan 0.000 0.450 133 A N -0.381 122.502 122.820 0.105 0.000 2.604 133 A HA 0.671 4.992 4.320 0.002 0.000 0.295 133 A C -0.600 177.038 177.584 0.091 0.000 1.067 133 A CA -0.687 51.399 52.037 0.082 0.000 0.683 133 A CB 1.035 20.083 19.000 0.081 0.000 1.281 133 A HN 0.628 nan 8.150 nan 0.000 0.407 134 R N 0.009 120.556 120.500 0.078 0.000 2.707 134 R HA 0.877 5.218 4.340 0.002 0.000 0.272 134 R C -1.546 174.824 176.300 0.118 0.000 1.011 134 R CA -0.435 55.738 56.100 0.122 0.000 0.893 134 R CB 1.895 32.189 30.300 -0.010 0.000 1.233 134 R HN 0.781 nan 8.270 nan 0.000 0.464 135 T N 1.726 116.381 114.554 0.167 0.000 2.956 135 T HA 0.375 4.726 4.350 0.002 0.000 0.312 135 T C -1.844 172.909 174.700 0.090 0.000 1.151 135 T CA -0.752 61.403 62.100 0.092 0.000 1.024 135 T CB 1.488 70.379 68.868 0.038 0.000 1.140 135 T HN 0.500 nan 8.240 nan 0.000 0.473 136 L N 6.353 127.607 121.223 0.052 0.000 2.262 136 L HA 0.621 4.962 4.340 0.002 0.000 0.288 136 L C -0.889 175.953 176.870 -0.047 0.000 1.035 136 L CA -0.346 54.505 54.840 0.017 0.000 0.820 136 L CB 0.221 42.299 42.059 0.032 0.000 1.204 136 L HN 0.647 nan 8.230 nan 0.000 0.424 137 L N 4.480 125.650 121.223 -0.089 0.000 2.417 137 L HA 0.529 4.870 4.340 0.002 0.000 0.268 137 L C 0.690 177.478 176.870 -0.137 0.000 1.158 137 L CA -0.262 54.496 54.840 -0.137 0.000 0.819 137 L CB 1.164 43.124 42.059 -0.165 0.000 1.112 137 L HN 0.791 nan 8.230 nan 0.000 0.458 138 T N -1.636 112.824 114.554 -0.157 0.000 2.907 138 T HA 0.550 4.902 4.350 0.002 0.000 0.290 138 T C 0.771 175.378 174.700 -0.155 0.000 1.066 138 T CA -0.194 61.823 62.100 -0.138 0.000 1.012 138 T CB 1.814 70.617 68.868 -0.110 0.000 1.184 138 T HN 0.548 nan 8.240 nan 0.000 0.522 139 A N 1.008 123.754 122.820 -0.124 0.000 1.917 139 A HA -0.120 4.201 4.320 0.002 0.000 0.219 139 A C 2.204 179.711 177.584 -0.128 0.000 1.182 139 A CA 1.911 53.879 52.037 -0.116 0.000 0.633 139 A CB -0.869 18.082 19.000 -0.083 0.000 0.819 139 A HN 0.966 nan 8.150 nan 0.000 0.448 140 E N 0.515 120.648 120.200 -0.111 0.000 2.230 140 E HA -0.154 4.197 4.350 0.002 0.000 0.192 140 E C 1.229 177.729 176.600 -0.166 0.000 0.987 140 E CA 1.246 57.593 56.400 -0.088 0.000 0.841 140 E CB -0.650 29.036 29.700 -0.023 0.000 0.783 140 E HN 0.731 nan 8.360 nan 0.000 0.481 141 N N 1.712 120.231 118.700 -0.301 0.000 2.422 141 N HA 0.067 4.808 4.740 0.002 0.000 0.181 141 N C 1.737 176.700 175.510 -0.912 0.000 1.080 141 N CA 1.075 53.646 53.050 -0.798 0.000 0.893 141 N CB 0.003 38.183 38.487 -0.511 0.000 0.973 141 N HN 0.164 nan 8.380 nan 0.000 0.456 142 A N 0.870 123.395 122.820 -0.492 0.000 1.873 142 A HA -0.220 4.101 4.320 0.002 0.000 0.218 142 A C 2.405 179.737 177.584 -0.420 0.000 1.193 142 A CA 2.860 54.665 52.037 -0.386 0.000 0.629 142 A CB -1.692 17.137 19.000 -0.285 0.000 0.826 142 A HN 0.613 nan 8.150 nan 0.000 0.447 143 T N -1.920 112.331 114.554 -0.506 0.000 2.746 143 T HA -0.239 4.112 4.350 0.002 0.000 0.267 143 T C 1.853 176.443 174.700 -0.184 0.000 1.039 143 T CA 1.775 63.499 62.100 -0.627 0.000 1.142 143 T CB -0.799 67.592 68.868 -0.794 0.000 0.866 143 T HN 0.778 nan 8.240 nan 0.000 0.444 144 Y N 1.476 121.722 120.300 -0.091 0.000 2.263 144 Y HA 0.280 4.832 4.550 0.003 0.000 0.292 144 Y C 2.344 178.248 175.900 0.007 0.000 1.130 144 Y CA 0.625 58.718 58.100 -0.012 0.000 1.179 144 Y CB -0.682 37.771 38.460 -0.011 0.000 0.998 144 Y HN 0.057 nan 8.280 nan 0.000 0.532 145 E N 1.232 121.332 120.200 -0.167 0.000 2.047 145 E HA -0.129 4.222 4.350 0.002 0.000 0.191 145 E C 2.293 178.900 176.600 0.012 0.000 0.987 145 E CA 1.393 57.768 56.400 -0.042 0.000 0.799 145 E CB -0.379 29.212 29.700 -0.182 0.000 0.752 145 E HN 0.626 nan 8.360 nan 0.000 0.449 146 I N 1.658 122.220 120.570 -0.014 0.000 2.163 146 I HA -0.293 3.878 4.170 0.002 0.000 0.243 146 I C 1.895 178.087 176.117 0.125 0.000 1.085 146 I CA 1.367 62.706 61.300 0.065 0.000 1.347 146 I CB -0.219 37.860 38.000 0.131 0.000 1.044 146 I HN -0.033 nan 8.210 nan 0.000 0.408 147 D N 0.128 120.631 120.400 0.171 0.000 2.144 147 D HA -0.174 4.467 4.640 0.002 0.000 0.200 147 D C 2.154 178.531 176.300 0.129 0.000 0.978 147 D CA 0.887 54.990 54.000 0.173 0.000 0.833 147 D CB -0.291 40.635 40.800 0.210 0.000 0.961 147 D HN 0.251 nan 8.370 nan 0.000 0.470 148 R N 0.880 121.459 120.500 0.133 0.000 2.070 148 R HA -0.140 4.201 4.340 0.002 0.000 0.233 148 R C 2.258 178.613 176.300 0.091 0.000 1.137 148 R CA 1.960 58.128 56.100 0.114 0.000 0.945 148 R CB -0.247 30.134 30.300 0.136 0.000 0.845 148 R HN 0.225 nan 8.270 nan 0.000 0.430 149 V N -1.016 118.949 119.914 0.085 0.000 2.453 149 V HA -0.099 4.022 4.120 0.002 0.000 0.247 149 V C 2.180 178.316 176.094 0.069 0.000 1.048 149 V CA 1.414 63.759 62.300 0.075 0.000 1.049 149 V CB -0.586 31.279 31.823 0.070 0.000 0.672 149 V HN 0.261 nan 8.190 nan 0.000 0.457 150 L N 0.664 121.930 121.223 0.071 0.000 2.217 150 L HA -0.040 4.301 4.340 0.002 0.000 0.211 150 L C 2.811 179.717 176.870 0.060 0.000 1.107 150 L CA 1.452 56.330 54.840 0.064 0.000 0.783 150 L CB -0.648 41.452 42.059 0.069 0.000 0.919 150 L HN 0.330 nan 8.230 nan 0.000 0.442 151 S N -0.455 115.286 115.700 0.068 0.000 2.382 151 S HA -0.236 4.235 4.470 0.002 0.000 0.228 151 S C 1.908 176.542 174.600 0.057 0.000 1.027 151 S CA 1.148 59.386 58.200 0.063 0.000 0.991 151 S CB -0.149 63.092 63.200 0.069 0.000 0.823 151 S HN 0.336 nan 8.310 nan 0.000 0.469 152 Q N 1.236 121.070 119.800 0.058 0.000 2.119 152 Q HA 0.044 4.386 4.340 0.002 0.000 0.201 152 Q C 2.004 178.028 176.000 0.039 0.000 0.972 152 Q CA 1.047 56.882 55.803 0.053 0.000 0.847 152 Q CB -0.498 28.276 28.738 0.060 0.000 0.903 152 Q HN 0.558 nan 8.270 nan 0.000 0.433 153 L N -0.591 120.653 121.223 0.035 0.000 2.012 153 L HA -0.191 4.151 4.340 0.002 0.000 0.210 153 L C 1.927 178.779 176.870 -0.030 0.000 1.073 153 L CA 1.443 56.288 54.840 0.009 0.000 0.748 153 L CB -0.247 41.827 42.059 0.024 0.000 0.891 153 L HN 0.311 nan 8.230 nan 0.000 0.431 154 L N -0.334 120.889 121.223 0.000 0.000 2.131 154 L HA -0.241 4.100 4.340 0.002 0.000 0.210 154 L C 2.694 179.594 176.870 0.050 0.000 1.092 154 L CA 1.456 56.299 54.840 0.005 0.000 0.759 154 L CB -0.567 41.518 42.059 0.043 0.000 0.903 154 L HN 0.317 nan 8.230 nan 0.000 0.435 155 K N 0.204 120.648 120.400 0.072 0.000 2.031 155 K HA -0.133 4.188 4.320 0.002 0.000 0.205 155 K C 1.610 178.324 176.600 0.190 0.000 1.049 155 K CA 1.410 57.776 56.287 0.133 0.000 0.939 155 K CB 0.207 32.757 32.500 0.084 0.000 0.717 155 K HN 0.355 nan 8.250 nan 0.000 0.438 156 E N -0.604 119.637 120.200 0.068 0.000 2.447 156 E HA 0.096 4.447 4.350 0.002 0.000 0.204 156 E C -0.301 176.221 176.600 -0.130 0.000 0.977 156 E CA -0.217 56.208 56.400 0.041 0.000 0.950 156 E CB 0.737 30.438 29.700 0.001 0.000 0.975 156 E HN 0.120 nan 8.360 nan 0.000 0.496 157 R N 0.910 121.255 120.500 -0.260 0.000 3.758 157 R HA -0.169 4.172 4.340 0.002 0.000 0.299 157 R C -0.558 175.633 176.300 -0.182 0.000 1.182 157 R CA 0.879 56.775 56.100 -0.340 0.000 0.809 157 R CB -2.421 27.448 30.300 -0.718 0.000 1.249 157 R HN 0.213 nan 8.270 nan 0.000 0.497 158 K N 0.822 121.152 120.400 -0.116 0.000 2.139 158 K HA 0.443 4.764 4.320 0.002 0.000 0.243 158 K C -2.136 174.483 176.600 0.031 0.000 0.983 158 K CA -1.970 54.265 56.287 -0.087 0.000 0.890 158 K CB 1.057 33.457 32.500 -0.166 0.000 1.090 158 K HN -0.185 nan 8.250 nan 0.000 0.445 159 P HA -0.002 nan 4.420 nan 0.000 0.271 159 P C -0.752 176.649 177.300 0.167 0.000 1.218 159 P CA -0.302 62.892 63.100 0.157 0.000 0.780 159 P CB 0.712 32.538 31.700 0.210 0.000 0.901 160 V N 0.381 120.377 119.914 0.136 0.000 3.141 160 V HA 0.693 4.814 4.120 0.002 0.000 0.312 160 V C -1.600 174.579 176.094 0.141 0.000 1.157 160 V CA -1.153 61.228 62.300 0.135 0.000 1.041 160 V CB 2.254 34.136 31.823 0.098 0.000 1.071 160 V HN 0.536 nan 8.190 nan 0.000 0.441 161 Y N 1.297 121.577 120.300 -0.034 0.000 2.396 161 Y HA 0.802 5.354 4.550 0.004 0.000 0.332 161 Y C -1.138 174.706 175.900 -0.094 0.000 1.034 161 Y CA -0.888 57.151 58.100 -0.102 0.000 1.057 161 Y CB 1.866 40.246 38.460 -0.133 0.000 1.220 161 Y HN 0.755 nan 8.280 nan 0.000 0.440 162 I N 6.160 126.525 120.570 -0.342 0.000 2.439 162 I HA 0.253 4.424 4.170 0.002 0.000 0.283 162 I C -0.961 174.900 176.117 -0.427 0.000 1.023 162 I CA -0.670 60.477 61.300 -0.255 0.000 1.100 162 I CB 1.767 39.653 38.000 -0.191 0.000 1.238 162 I HN 0.651 nan 8.210 nan 0.000 0.445 163 N N 6.342 124.883 118.700 -0.265 0.000 2.419 163 N HA 0.418 5.159 4.740 0.002 0.000 0.264 163 N C -1.167 174.250 175.510 -0.156 0.000 1.031 163 N CA -0.524 52.415 53.050 -0.184 0.000 0.951 163 N CB 0.920 39.435 38.487 0.047 0.000 1.101 163 N HN 0.436 nan 8.380 nan 0.000 0.488 164 L N 6.456 127.565 121.223 -0.190 0.000 2.366 164 L HA 0.603 4.944 4.340 0.002 0.000 0.266 164 L C -2.573 174.190 176.870 -0.178 0.000 1.010 164 L CA -2.248 52.456 54.840 -0.226 0.000 0.879 164 L CB 1.074 42.911 42.059 -0.371 0.000 1.228 164 L HN 0.527 nan 8.230 nan 0.000 0.439 165 P HA 0.055 nan 4.420 nan 0.000 0.267 165 P C 1.176 178.396 177.300 -0.132 0.000 1.200 165 P CA -0.156 62.841 63.100 -0.172 0.000 0.772 165 P CB 0.869 32.454 31.700 -0.191 0.000 0.855 166 V N 2.903 122.759 119.914 -0.097 0.000 2.250 166 V HA -0.303 3.818 4.120 0.002 0.000 0.250 166 V C 2.033 178.095 176.094 -0.053 0.000 1.060 166 V CA 2.604 64.880 62.300 -0.041 0.000 1.030 166 V CB -1.175 30.651 31.823 0.005 0.000 0.643 166 V HN 0.708 nan 8.190 nan 0.000 0.445 167 D N -0.128 120.228 120.400 -0.073 0.000 2.219 167 D HA -0.127 4.514 4.640 0.002 0.000 0.205 167 D C 1.976 178.230 176.300 -0.076 0.000 0.970 167 D CA 1.336 55.295 54.000 -0.068 0.000 0.851 167 D CB -0.345 40.409 40.800 -0.077 0.000 0.943 167 D HN 0.395 nan 8.370 nan 0.000 0.488 168 V N 1.528 121.383 119.914 -0.100 0.000 2.453 168 V HA -0.127 3.994 4.120 0.002 0.000 0.247 168 V C 2.951 178.981 176.094 -0.106 0.000 1.048 168 V CA 1.473 63.706 62.300 -0.111 0.000 1.049 168 V CB -0.738 31.003 31.823 -0.138 0.000 0.672 168 V HN 0.339 nan 8.190 nan 0.000 0.457 169 A N 0.131 122.888 122.820 -0.105 0.000 1.978 169 A HA -0.094 4.227 4.320 0.002 0.000 0.220 169 A C 2.256 179.822 177.584 -0.030 0.000 1.170 169 A CA 2.001 53.992 52.037 -0.077 0.000 0.636 169 A CB -0.530 18.443 19.000 -0.045 0.000 0.810 169 A HN 0.584 nan 8.150 nan 0.000 0.448 170 A N -0.882 121.919 122.820 -0.031 0.000 2.218 170 A HA 0.598 4.919 4.320 0.002 0.000 0.209 170 A C 1.325 178.890 177.584 -0.032 0.000 1.168 170 A CA 0.697 52.719 52.037 -0.025 0.000 0.804 170 A CB -0.706 18.282 19.000 -0.020 0.000 0.834 170 A HN 0.929 nan 8.150 nan 0.000 0.482 171 A N 0.357 123.150 122.820 -0.044 0.000 2.425 171 A HA 0.391 4.712 4.320 0.002 0.000 0.242 171 A C 0.558 178.126 177.584 -0.026 0.000 1.077 171 A CA -0.292 51.721 52.037 -0.041 0.000 0.781 171 A CB 0.061 19.026 19.000 -0.059 0.000 1.020 171 A HN 0.427 nan 8.150 nan 0.000 0.494 172 K N 0.377 120.773 120.400 -0.007 0.000 2.436 172 K HA 0.409 4.730 4.320 0.002 0.000 0.275 172 K C -0.033 176.591 176.600 0.039 0.000 0.999 172 K CA 0.604 56.908 56.287 0.028 0.000 0.980 172 K CB 0.311 32.829 32.500 0.030 0.000 0.919 172 K HN 0.877 nan 8.250 nan 0.000 0.484 173 A N 3.131 126.029 122.820 0.129 0.000 2.583 173 A HA 0.447 4.768 4.320 0.002 0.000 0.289 173 A C -1.624 176.138 177.584 0.296 0.000 1.151 173 A CA -0.871 51.267 52.037 0.168 0.000 0.695 173 A CB 1.169 20.269 19.000 0.166 0.000 1.290 173 A HN 0.778 nan 8.150 nan 0.000 0.419 174 E N 0.964 121.287 120.200 0.205 0.000 2.256 174 E HA 0.434 4.785 4.350 0.002 0.000 0.267 174 E C -1.048 175.567 176.600 0.025 0.000 0.892 174 E CA -0.980 55.451 56.400 0.053 0.000 0.775 174 E CB 1.729 31.437 29.700 0.013 0.000 1.207 174 E HN 0.502 nan 8.360 nan 0.000 0.420 175 K N 1.688 121.833 120.400 -0.425 0.000 2.518 175 K HA 0.078 4.400 4.320 0.002 0.000 0.276 175 K C -2.134 174.446 176.600 -0.032 0.000 0.974 175 K CA -1.003 55.033 56.287 -0.418 0.000 0.986 175 K CB -0.092 32.116 32.500 -0.488 0.000 0.901 175 K HN 0.322 nan 8.250 nan 0.000 0.497 176 P HA -0.039 nan 4.420 nan 0.000 0.267 176 P C -0.416 176.884 177.300 0.000 0.000 1.205 176 P CA 0.154 63.255 63.100 0.002 0.000 0.765 176 P CB 1.042 32.635 31.700 -0.179 0.000 0.828 177 A N 4.398 127.243 122.820 0.041 0.000 1.855 177 A HA 0.054 4.375 4.320 0.002 0.000 0.213 177 A C 0.830 178.424 177.584 0.017 0.000 1.195 177 A CA 1.117 53.167 52.037 0.022 0.000 0.610 177 A CB -0.577 18.443 19.000 0.034 0.000 0.837 177 A HN 0.493 nan 8.150 nan 0.000 0.444 178 L N 0.060 121.302 121.223 0.031 0.000 2.322 178 L HA 0.398 4.739 4.340 0.002 0.000 0.269 178 L C 0.558 177.442 176.870 0.023 0.000 1.012 178 L CA -0.800 54.056 54.840 0.027 0.000 0.815 178 L CB 1.962 44.042 42.059 0.035 0.000 1.295 178 L HN 0.387 nan 8.230 nan 0.000 0.438 179 S N 0.436 116.148 115.700 0.020 0.000 2.614 179 S HA 0.301 4.772 4.470 0.002 0.000 0.265 179 S C 0.943 175.561 174.600 0.030 0.000 1.303 179 S CA -0.664 57.547 58.200 0.019 0.000 1.000 179 S CB 0.882 64.093 63.200 0.019 0.000 0.935 179 S HN 0.553 nan 8.310 nan 0.000 0.551 180 L N 0.087 121.329 121.223 0.031 0.000 2.072 180 L HA 0.059 4.400 4.340 0.002 0.000 0.205 180 L C 1.771 178.667 176.870 0.043 0.000 1.079 180 L CA 0.964 55.830 54.840 0.043 0.000 0.752 180 L CB -0.451 41.634 42.059 0.044 0.000 0.906 180 L HN 0.675 nan 8.230 nan 0.000 0.436 189 T N -0.624 113.943 114.554 0.022 0.000 2.701 189 T HA -0.136 4.215 4.350 0.002 0.000 0.263 189 T C 1.997 176.707 174.700 0.016 0.000 1.040 189 T CA 2.211 64.321 62.100 0.017 0.000 1.147 189 T CB -0.520 68.358 68.868 0.018 0.000 0.865 189 T HN 0.513 nan 8.240 nan 0.000 0.426 190 T N 0.830 115.401 114.554 0.029 0.000 2.867 190 T HA -0.033 4.318 4.350 0.002 0.000 0.268 190 T C 1.719 176.423 174.700 0.006 0.000 1.057 190 T CA 1.141 63.256 62.100 0.025 0.000 1.136 190 T CB -0.358 68.544 68.868 0.056 0.000 0.874 190 T HN 0.457 nan 8.240 nan 0.000 0.466 191 E N 0.692 120.909 120.200 0.028 0.000 2.072 191 E HA -0.161 4.190 4.350 0.002 0.000 0.191 191 E C 2.385 178.969 176.600 -0.027 0.000 0.985 191 E CA 1.212 57.617 56.400 0.008 0.000 0.801 191 E CB -0.172 29.552 29.700 0.040 0.000 0.750 191 E HN 0.461 nan 8.360 nan 0.000 0.452 192 Q N 0.796 120.587 119.800 -0.015 0.000 2.172 192 Q HA -0.085 4.257 4.340 0.002 0.000 0.200 192 Q C 2.023 178.008 176.000 -0.024 0.000 0.964 192 Q CA 1.002 56.792 55.803 -0.021 0.000 0.855 192 Q CB -0.064 28.668 28.738 -0.010 0.000 0.918 192 Q HN 0.100 nan 8.270 nan 0.000 0.444 193 V N 0.456 120.358 119.914 -0.020 0.000 2.295 193 V HA -0.253 3.868 4.120 0.002 0.000 0.246 193 V C 2.256 178.328 176.094 -0.036 0.000 1.049 193 V CA 1.817 64.105 62.300 -0.019 0.000 1.024 193 V CB -0.536 31.281 31.823 -0.010 0.000 0.648 193 V HN 0.380 nan 8.190 nan 0.000 0.447 194 I N -0.548 119.981 120.570 -0.067 0.000 2.163 194 I HA -0.250 3.921 4.170 0.002 0.000 0.243 194 I C 2.358 178.422 176.117 -0.089 0.000 1.085 194 I CA 1.300 62.535 61.300 -0.109 0.000 1.347 194 I CB -0.315 37.564 38.000 -0.202 0.000 1.044 194 I HN 0.253 nan 8.210 nan 0.000 0.408 195 L N -0.101 121.074 121.223 -0.080 0.000 2.083 195 L HA -0.183 4.158 4.340 0.002 0.000 0.209 195 L C 2.644 179.490 176.870 -0.040 0.000 1.083 195 L CA 1.744 56.542 54.840 -0.070 0.000 0.752 195 L CB -1.314 40.704 42.059 -0.068 0.000 0.899 195 L HN 0.242 nan 8.230 nan 0.000 0.433 196 S N -0.316 115.366 115.700 -0.029 0.000 2.368 196 S HA -0.169 4.302 4.470 0.002 0.000 0.224 196 S C 1.984 176.577 174.600 -0.012 0.000 1.029 196 S CA 1.166 59.357 58.200 -0.016 0.000 0.988 196 S CB -0.008 63.185 63.200 -0.010 0.000 0.838 196 S HN 0.344 nan 8.310 nan 0.000 0.462 197 K N 0.753 121.149 120.400 -0.007 0.000 2.097 197 K HA 0.093 4.414 4.320 0.002 0.000 0.205 197 K C 1.885 178.477 176.600 -0.013 0.000 1.050 197 K CA 0.913 57.213 56.287 0.021 0.000 0.938 197 K CB -0.194 32.342 32.500 0.061 0.000 0.718 197 K HN 0.305 nan 8.250 nan 0.000 0.442 198 I N 0.708 121.265 120.570 -0.023 0.000 2.202 198 I HA -0.271 3.900 4.170 0.002 0.000 0.242 198 I C 2.517 178.619 176.117 -0.025 0.000 1.091 198 I CA 1.264 62.561 61.300 -0.004 0.000 1.368 198 I CB -0.218 37.798 38.000 0.028 0.000 1.058 198 I HN 0.281 nan 8.210 nan 0.000 0.410 199 E N 1.099 121.297 120.200 -0.004 0.000 2.058 199 E HA -0.322 4.029 4.350 0.002 0.000 0.194 199 E C 2.120 178.706 176.600 -0.023 0.000 0.997 199 E CA 1.772 58.181 56.400 0.015 0.000 0.801 199 E CB -0.059 29.651 29.700 0.016 0.000 0.746 199 E HN 0.463 nan 8.360 nan 0.000 0.450 200 E N -0.148 120.024 120.200 -0.046 0.000 2.058 200 E HA -0.177 4.174 4.350 0.002 0.000 0.194 200 E C 2.115 178.638 176.600 -0.127 0.000 0.997 200 E CA 1.614 57.976 56.400 -0.063 0.000 0.801 200 E CB -0.005 29.667 29.700 -0.046 0.000 0.746 200 E HN 0.134 nan 8.360 nan 0.000 0.450 201 S N 0.678 116.232 115.700 -0.242 0.000 2.368 201 S HA -0.115 4.356 4.470 0.002 0.000 0.225 201 S C 1.994 176.315 174.600 -0.466 0.000 1.030 201 S CA 0.924 58.813 58.200 -0.519 0.000 0.999 201 S CB -0.211 62.296 63.200 -1.155 0.000 0.844 201 S HN 0.261 nan 8.310 nan 0.000 0.459 202 L N 1.002 122.058 121.223 -0.278 0.000 2.056 202 L HA -0.092 4.249 4.340 0.002 0.000 0.207 202 L C 2.422 179.311 176.870 0.032 0.000 1.078 202 L CA 1.227 56.068 54.840 0.000 0.000 0.749 202 L CB -0.378 41.763 42.059 0.137 0.000 0.901 202 L HN 0.233 nan 8.230 nan 0.000 0.433 203 K N -0.248 120.153 120.400 0.001 0.000 2.148 203 K HA -0.088 4.233 4.320 0.002 0.000 0.204 203 K C 1.653 178.256 176.600 0.005 0.000 1.050 203 K CA 1.066 57.362 56.287 0.016 0.000 0.942 203 K CB -0.080 32.425 32.500 0.008 0.000 0.724 203 K HN 0.257 nan 8.250 nan 0.000 0.446 204 N N 0.504 119.188 118.700 -0.026 0.000 2.446 204 N HA 0.010 4.751 4.740 0.002 0.000 0.179 204 N C 0.002 175.514 175.510 0.002 0.000 1.054 204 N CA 0.271 53.307 53.050 -0.024 0.000 0.905 204 N CB 0.128 38.582 38.487 -0.055 0.000 0.973 204 N HN 0.089 nan 8.380 nan 0.000 0.448 205 A N 0.704 123.541 122.820 0.029 0.000 2.401 205 A HA 0.184 4.505 4.320 0.002 0.000 0.259 205 A C 0.989 178.641 177.584 0.114 0.000 1.103 205 A CA -0.257 51.835 52.037 0.092 0.000 0.789 205 A CB 0.559 19.666 19.000 0.179 0.000 1.035 205 A HN 0.028 nan 8.150 nan 0.000 0.491 206 Q N 0.812 120.671 119.800 0.098 0.000 2.354 206 Q HA 0.081 4.422 4.340 0.002 0.000 0.203 206 Q C 0.374 176.479 176.000 0.176 0.000 0.933 206 Q CA 1.045 56.907 55.803 0.098 0.000 0.901 206 Q CB 0.257 29.017 28.738 0.038 0.000 1.007 206 Q HN 0.753 nan 8.270 nan 0.000 0.495 207 K N 1.222 121.708 120.400 0.143 0.000 3.098 207 K HA 0.231 4.552 4.320 0.002 0.000 0.170 207 K C -2.757 173.880 176.600 0.063 0.000 1.106 207 K CA -1.472 54.872 56.287 0.095 0.000 0.864 207 K CB 1.355 33.785 32.500 -0.117 0.000 1.047 207 K HN -0.099 nan 8.250 nan 0.000 0.609 208 P HA 0.118 nan 4.420 nan 0.000 0.277 208 P C -0.875 176.461 177.300 0.060 0.000 1.240 208 P CA -0.498 62.693 63.100 0.151 0.000 0.798 208 P CB 1.904 33.746 31.700 0.237 0.000 0.979 209 V N 3.004 122.933 119.914 0.026 0.000 2.733 209 V HA 0.290 4.412 4.120 0.002 0.000 0.306 209 V C -0.739 175.314 176.094 -0.069 0.000 1.084 209 V CA -0.863 61.441 62.300 0.007 0.000 0.905 209 V CB 2.437 34.291 31.823 0.053 0.000 1.010 209 V HN 0.221 nan 8.190 nan 0.000 0.424 210 V N 7.521 127.413 119.914 -0.036 0.000 2.481 210 V HA 0.562 4.683 4.120 0.002 0.000 0.286 210 V C -0.097 175.978 176.094 -0.031 0.000 1.042 210 V CA -0.416 61.872 62.300 -0.020 0.000 0.928 210 V CB 1.647 33.506 31.823 0.059 0.000 0.986 210 V HN 0.687 nan 8.190 nan 0.000 0.462 211 I N 3.852 124.402 120.570 -0.033 0.000 2.410 211 I HA 0.678 4.849 4.170 0.002 0.000 0.286 211 I C 0.196 176.325 176.117 0.021 0.000 1.009 211 I CA -0.480 60.813 61.300 -0.011 0.000 1.111 211 I CB 1.686 39.668 38.000 -0.030 0.000 1.262 211 I HN 0.672 nan 8.210 nan 0.000 0.443 212 A N 4.584 127.434 122.820 0.049 0.000 2.312 212 A HA 0.934 5.256 4.320 0.002 0.000 0.328 212 A C 0.093 177.702 177.584 0.041 0.000 1.158 212 A CA -0.326 51.744 52.037 0.056 0.000 0.821 212 A CB 1.334 20.377 19.000 0.073 0.000 1.170 212 A HN 0.825 nan 8.150 nan 0.000 0.490 213 G N -0.684 108.124 108.800 0.014 0.000 3.105 213 G HA2 0.464 4.425 3.960 0.002 0.000 0.277 213 G HA3 0.464 4.425 3.960 0.002 0.000 0.277 213 G C 0.645 175.491 174.900 -0.089 0.000 1.375 213 G CA 0.244 45.320 45.100 -0.041 0.000 0.962 213 G HN 0.989 nan 8.290 nan 0.000 0.541 214 H N -0.769 118.112 119.070 -0.315 0.000 2.456 214 H HA 0.016 4.573 4.556 0.001 0.000 0.296 214 H C 1.461 176.713 175.328 -0.127 0.000 1.079 214 H CA 1.740 57.624 56.048 -0.274 0.000 1.322 214 H CB -0.030 29.370 29.762 -0.603 0.000 1.388 214 H HN 0.637 nan 8.280 nan 0.000 0.538 215 E N 0.821 120.571 120.200 -0.750 0.000 2.268 215 E HA -0.046 4.305 4.350 0.002 0.000 0.195 215 E C 2.430 179.067 176.600 0.061 0.000 0.995 215 E CA 0.784 56.917 56.400 -0.445 0.000 0.836 215 E CB 0.232 29.505 29.700 -0.712 0.000 0.763 215 E HN 0.260 nan 8.360 nan 0.000 0.491 216 V N 1.505 121.492 119.914 0.122 0.000 2.295 216 V HA -0.272 3.849 4.120 0.002 0.000 0.246 216 V C 2.196 178.397 176.094 0.178 0.000 1.049 216 V CA 1.588 64.021 62.300 0.220 0.000 1.024 216 V CB -0.362 31.541 31.823 0.134 0.000 0.648 216 V HN 0.287 nan 8.190 nan 0.000 0.447 217 I N -0.034 120.602 120.570 0.111 0.000 2.315 217 I HA -0.198 3.973 4.170 0.002 0.000 0.248 217 I C 2.549 178.728 176.117 0.104 0.000 1.117 217 I CA 1.422 62.786 61.300 0.107 0.000 1.404 217 I CB -0.483 37.583 38.000 0.109 0.000 1.071 217 I HN 0.250 nan 8.210 nan 0.000 0.419 218 S N 0.617 116.369 115.700 0.088 0.000 2.387 218 S HA -0.170 4.301 4.470 0.002 0.000 0.230 218 S C 1.645 176.211 174.600 -0.057 0.000 1.035 218 S CA 1.656 59.864 58.200 0.013 0.000 1.014 218 S CB -0.347 62.835 63.200 -0.031 0.000 0.836 218 S HN 0.338 nan 8.310 nan 0.000 0.466 219 F N 0.796 120.787 119.950 0.069 0.000 2.727 219 F HA 0.314 4.842 4.527 0.003 0.000 0.302 219 F C 1.670 177.506 175.800 0.061 0.000 1.097 219 F CA 0.143 58.194 58.000 0.085 0.000 1.330 219 F CB 0.026 39.120 39.000 0.157 0.000 1.084 219 F HN 0.297 nan 8.300 nan 0.000 0.578 220 G N 1.145 110.051 108.800 0.178 0.000 2.246 220 G HA2 -0.306 3.656 3.960 0.002 0.000 0.273 220 G HA3 -0.306 3.656 3.960 0.002 0.000 0.273 220 G C 0.641 175.610 174.900 0.116 0.000 1.055 220 G CA 0.267 45.437 45.100 0.116 0.000 0.851 220 G HN 0.439 nan 8.290 nan 0.000 0.500 221 L N -0.826 120.478 121.223 0.134 0.000 2.653 221 L HA 0.237 4.578 4.340 0.002 0.000 0.231 221 L C 2.162 179.064 176.870 0.054 0.000 1.153 221 L CA 0.210 55.096 54.840 0.077 0.000 0.933 221 L CB 0.122 42.210 42.059 0.049 0.000 1.175 221 L HN 0.274 nan 8.230 nan 0.000 0.473 222 E N 0.229 120.466 120.200 0.062 0.000 2.051 222 E HA -0.196 4.155 4.350 0.002 0.000 0.192 222 E C 1.916 178.538 176.600 0.037 0.000 0.991 222 E CA 1.033 57.461 56.400 0.047 0.000 0.799 222 E CB 0.084 29.808 29.700 0.041 0.000 0.748 222 E HN 0.157 nan 8.360 nan 0.000 0.449 223 K N 0.124 120.545 120.400 0.034 0.000 2.148 223 K HA -0.028 4.293 4.320 0.002 0.000 0.204 223 K C 2.220 178.843 176.600 0.038 0.000 1.050 223 K CA 1.224 57.530 56.287 0.031 0.000 0.942 223 K CB -0.513 32.003 32.500 0.027 0.000 0.724 223 K HN 0.168 nan 8.250 nan 0.000 0.446 224 T N 1.396 115.970 114.554 0.034 0.000 2.737 224 T HA -0.079 4.272 4.350 0.002 0.000 0.265 224 T C 2.114 176.850 174.700 0.061 0.000 1.038 224 T CA 1.275 63.393 62.100 0.030 0.000 1.144 224 T CB -0.159 68.704 68.868 -0.008 0.000 0.866 224 T HN -0.087 nan 8.240 nan 0.000 0.434 225 V N 1.524 121.472 119.914 0.057 0.000 2.358 225 V HA -0.161 3.960 4.120 0.002 0.000 0.246 225 V C 2.784 178.964 176.094 0.144 0.000 1.047 225 V CA 1.851 64.218 62.300 0.111 0.000 1.035 225 V CB -1.234 30.634 31.823 0.075 0.000 0.658 225 V HN 0.503 nan 8.190 nan 0.000 0.452 226 T N -0.526 114.077 114.554 0.082 0.000 2.684 226 T HA -0.318 4.033 4.350 0.002 0.000 0.267 226 T C 1.925 176.662 174.700 0.062 0.000 1.036 226 T CA 2.122 64.254 62.100 0.054 0.000 1.148 226 T CB -0.235 68.646 68.868 0.022 0.000 0.863 226 T HN 0.554 nan 8.240 nan 0.000 0.436 227 Q N -0.426 119.421 119.800 0.078 0.000 2.050 227 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 227 Q C 2.106 178.177 176.000 0.118 0.000 0.980 227 Q CA 1.415 57.266 55.803 0.080 0.000 0.840 227 Q CB -0.289 28.496 28.738 0.077 0.000 0.898 227 Q HN 0.526 nan 8.270 nan 0.000 0.424 228 F N 0.402 120.357 119.950 0.007 0.000 2.095 228 F HA -0.228 4.300 4.527 0.002 0.000 0.298 228 F C 1.865 177.681 175.800 0.026 0.000 1.104 228 F CA 1.520 59.528 58.000 0.013 0.000 1.232 228 F CB -0.529 38.472 39.000 0.002 0.000 0.987 228 F HN -0.073 nan 8.300 nan 0.000 0.475 229 V N -0.585 119.272 119.914 -0.095 0.000 2.453 229 V HA -0.237 3.884 4.120 0.002 0.000 0.247 229 V C 2.483 178.501 176.094 -0.127 0.000 1.048 229 V CA 1.854 64.038 62.300 -0.193 0.000 1.049 229 V CB -0.886 30.916 31.823 -0.034 0.000 0.672 229 V HN 0.356 nan 8.190 nan 0.000 0.457 230 S N -0.102 115.566 115.700 -0.052 0.000 2.359 230 S HA -0.242 4.229 4.470 0.002 0.000 0.224 230 S C 1.937 176.520 174.600 -0.029 0.000 1.035 230 S CA 1.833 60.018 58.200 -0.024 0.000 1.018 230 S CB -0.267 62.934 63.200 0.001 0.000 0.876 230 S HN 0.710 nan 8.310 nan 0.000 0.448 231 E N 0.357 120.531 120.200 -0.044 0.000 2.106 231 E HA -0.101 4.250 4.350 0.002 0.000 0.192 231 E C 2.276 178.840 176.600 -0.060 0.000 0.984 231 E CA 1.544 57.926 56.400 -0.030 0.000 0.806 231 E CB -0.223 29.478 29.700 0.002 0.000 0.750 231 E HN 0.697 nan 8.360 nan 0.000 0.458 232 T N -1.758 112.696 114.554 -0.167 0.000 3.067 232 T HA 0.074 4.425 4.350 0.002 0.000 0.257 232 T C 0.773 175.455 174.700 -0.030 0.000 1.105 232 T CA 0.142 62.144 62.100 -0.163 0.000 1.104 232 T CB -0.039 68.573 68.868 -0.426 0.000 0.925 232 T HN 0.061 nan 8.240 nan 0.000 0.498 233 K N 0.455 120.855 120.400 -0.001 0.000 3.274 233 K HA -0.132 4.189 4.320 0.002 0.000 0.300 233 K C -0.360 176.367 176.600 0.212 0.000 1.230 233 K CA 0.274 56.650 56.287 0.149 0.000 0.884 233 K CB -2.394 30.259 32.500 0.254 0.000 1.242 233 K HN 0.468 nan 8.250 nan 0.000 0.467 234 L N 1.795 123.026 121.223 0.014 0.000 2.453 234 L HA 0.134 4.476 4.340 0.002 0.000 0.272 234 L C -1.810 175.007 176.870 -0.088 0.000 1.182 234 L CA -1.805 53.002 54.840 -0.056 0.000 0.858 234 L CB 0.073 42.070 42.059 -0.103 0.000 1.120 234 L HN -0.183 nan 8.230 nan 0.000 0.474 235 P HA 0.144 nan 4.420 nan 0.000 0.265 235 P C -0.796 176.421 177.300 -0.139 0.000 1.193 235 P CA 0.244 63.240 63.100 -0.173 0.000 0.765 235 P CB 0.700 32.303 31.700 -0.161 0.000 0.823 236 I N 1.415 121.886 120.570 -0.164 0.000 2.722 236 I HA 0.571 4.742 4.170 0.002 0.000 0.295 236 I C -0.880 175.153 176.117 -0.139 0.000 1.161 236 I CA -0.302 60.955 61.300 -0.072 0.000 1.032 236 I CB 2.349 40.372 38.000 0.039 0.000 1.244 236 I HN 0.243 nan 8.210 nan 0.000 0.421 237 T N 3.516 118.014 114.554 -0.093 0.000 2.883 237 T HA 0.745 5.096 4.350 0.002 0.000 0.296 237 T C -0.864 173.867 174.700 0.052 0.000 1.117 237 T CA -0.097 61.917 62.100 -0.144 0.000 1.006 237 T CB 1.625 70.391 68.868 -0.170 0.000 1.191 237 T HN 0.807 nan 8.240 nan 0.000 0.508 238 T N 0.778 115.397 114.554 0.108 0.000 2.901 238 T HA 0.741 5.093 4.350 0.002 0.000 0.293 238 T C -0.248 174.504 174.700 0.087 0.000 1.084 238 T CA -0.914 61.256 62.100 0.116 0.000 1.008 238 T CB 0.812 69.763 68.868 0.138 0.000 1.170 238 T HN 0.539 nan 8.240 nan 0.000 0.509 239 L N 2.006 123.283 121.223 0.089 0.000 2.479 239 L HA 0.343 4.684 4.340 0.002 0.000 0.249 239 L C 1.854 178.753 176.870 0.048 0.000 1.178 239 L CA -0.943 53.946 54.840 0.082 0.000 0.811 239 L CB 0.297 42.429 42.059 0.122 0.000 1.187 239 L HN 0.944 nan 8.230 nan 0.000 0.480 240 N N -0.561 118.158 118.700 0.032 0.000 2.459 240 N HA -0.171 4.570 4.740 0.002 0.000 0.181 240 N C 0.178 175.842 175.510 0.257 0.000 1.046 240 N CA 0.635 53.689 53.050 0.006 0.000 0.904 240 N CB -0.152 38.282 38.487 -0.089 0.000 0.964 240 N HN 0.347 nan 8.380 nan 0.000 0.444 241 F N 1.629 121.626 119.950 0.077 0.000 2.423 241 F HA 0.523 5.051 4.527 0.001 0.000 0.356 241 F C 1.192 177.059 175.800 0.110 0.000 1.170 241 F CA -0.755 57.285 58.000 0.066 0.000 1.163 241 F CB -0.296 38.697 39.000 -0.011 0.000 1.318 241 F HN 0.340 nan 8.300 nan 0.000 0.569 242 G N 4.247 113.197 108.800 0.250 0.000 2.138 242 G HA2 -0.244 3.717 3.960 0.002 0.000 0.193 242 G HA3 -0.244 3.717 3.960 0.002 0.000 0.193 242 G C 0.349 175.310 174.900 0.101 0.000 0.998 242 G CA -0.128 45.046 45.100 0.123 0.000 0.668 242 G HN 0.735 nan 8.290 nan 0.000 0.516 243 K N 0.885 121.337 120.400 0.086 0.000 2.484 243 K HA 0.338 4.659 4.320 0.002 0.000 0.280 243 K C 1.523 178.135 176.600 0.019 0.000 1.013 243 K CA 1.216 57.466 56.287 -0.063 0.000 1.029 243 K CB 0.060 32.306 32.500 -0.422 0.000 0.902 243 K HN 1.629 nan 8.250 nan 0.000 0.481 244 S N 0.989 116.658 115.700 -0.052 0.000 3.315 244 S HA -0.228 4.243 4.470 0.002 0.000 0.283 244 S C 0.987 175.588 174.600 0.002 0.000 1.279 244 S CA 0.728 58.906 58.200 -0.037 0.000 0.984 244 S CB -2.225 61.000 63.200 0.042 0.000 1.184 244 S HN 0.862 nan 8.310 nan 0.000 0.653 245 A N 0.654 123.487 122.820 0.022 0.000 2.024 245 A HA 0.393 4.715 4.320 0.002 0.000 0.220 245 A C 1.343 178.941 177.584 0.023 0.000 1.164 245 A CA 1.596 53.657 52.037 0.040 0.000 0.643 245 A CB -0.565 18.466 19.000 0.051 0.000 0.806 245 A HN 2.046 nan 8.150 nan 0.000 0.451 246 V N -3.990 115.914 119.914 -0.016 0.000 3.102 246 V HA 0.492 4.613 4.120 0.002 0.000 0.312 246 V C -0.736 175.273 176.094 -0.142 0.000 1.135 246 V CA -1.327 60.949 62.300 -0.040 0.000 1.022 246 V CB 1.569 33.395 31.823 0.006 0.000 1.056 246 V HN 0.148 nan 8.190 nan 0.000 0.436 247 D N 1.360 121.687 120.400 -0.122 0.000 2.401 247 D HA 0.107 4.748 4.640 0.002 0.000 0.254 247 D C 0.930 177.038 176.300 -0.320 0.000 1.192 247 D CA 0.350 54.250 54.000 -0.167 0.000 0.885 247 D CB 1.377 42.126 40.800 -0.086 0.000 1.147 247 D HN 0.767 nan 8.370 nan 0.000 0.478 248 E N 1.266 121.176 120.200 -0.483 0.000 2.478 248 E HA -0.097 4.254 4.350 0.002 0.000 0.198 248 E C 1.597 178.048 176.600 -0.249 0.000 1.046 248 E CA 0.215 56.116 56.400 -0.831 0.000 0.870 248 E CB 0.215 29.409 29.700 -0.844 0.000 0.818 248 E HN 0.425 nan 8.360 nan 0.000 0.527 249 S N 0.280 115.905 115.700 -0.125 0.000 2.527 249 S HA 0.033 4.504 4.470 0.002 0.000 0.222 249 S C 0.965 175.558 174.600 -0.012 0.000 0.985 249 S CA -0.287 57.897 58.200 -0.027 0.000 0.921 249 S CB -0.298 62.889 63.200 -0.023 0.000 0.772 249 S HN 0.093 nan 8.310 nan 0.000 0.529 250 L N 2.786 123.993 121.223 -0.027 0.000 2.615 250 L HA 0.060 4.401 4.340 0.002 0.000 0.284 250 L C -0.981 175.876 176.870 -0.021 0.000 1.237 250 L CA -1.077 53.755 54.840 -0.015 0.000 0.905 250 L CB 0.061 42.115 42.059 -0.008 0.000 1.149 250 L HN 0.144 nan 8.230 nan 0.000 0.499 251 P HA -0.148 nan 4.420 nan 0.000 0.219 251 P C 1.103 178.159 177.300 -0.406 0.000 1.146 251 P CA 1.156 64.189 63.100 -0.112 0.000 0.808 251 P CB 0.125 31.814 31.700 -0.019 0.000 0.779 252 S N -2.117 113.264 115.700 -0.533 0.000 2.575 252 S HA 0.058 4.529 4.470 0.002 0.000 0.215 252 S C 0.384 174.692 174.600 -0.487 0.000 0.966 252 S CA -0.689 56.895 58.200 -1.027 0.000 0.911 252 S CB -1.205 61.596 63.200 -0.664 0.000 0.780 252 S HN -0.038 nan 8.310 nan 0.000 0.514 253 F N 2.675 122.429 119.950 -0.327 0.000 2.506 253 F HA 0.399 4.928 4.527 0.002 0.000 0.371 253 F C 0.841 176.573 175.800 -0.113 0.000 1.078 253 F CA -0.975 56.925 58.000 -0.166 0.000 1.195 253 F CB 0.392 39.359 39.000 -0.055 0.000 1.099 253 F HN -0.006 nan 8.300 nan 0.000 0.548 254 L N 5.189 125.940 121.223 -0.786 0.000 2.249 254 L HA 0.350 4.691 4.340 0.002 0.000 0.207 254 L C 1.321 177.886 176.870 -0.509 0.000 1.090 254 L CA 0.572 55.080 54.840 -0.554 0.000 0.802 254 L CB -0.940 40.819 42.059 -0.499 0.000 0.947 254 L HN 0.918 nan 8.230 nan 0.000 0.453 255 G N -0.070 107.984 108.800 -1.242 0.000 2.315 255 G HA2 -0.004 3.957 3.960 0.002 0.000 0.296 255 G HA3 -0.004 3.957 3.960 0.002 0.000 0.296 255 G C -1.274 173.274 174.900 -0.585 0.000 1.289 255 G CA -0.991 43.631 45.100 -0.797 0.000 0.996 255 G HN -0.166 nan 8.290 nan 0.000 0.487 256 I N 0.977 121.361 120.570 -0.309 0.000 2.315 256 I HA 0.321 4.492 4.170 0.002 0.000 0.291 256 I C -0.171 175.911 176.117 -0.057 0.000 1.006 256 I CA -0.652 60.554 61.300 -0.156 0.000 1.265 256 I CB 0.857 38.733 38.000 -0.206 0.000 1.387 256 I HN 0.531 nan 8.210 nan 0.000 0.475 257 Y N 7.497 127.724 120.300 -0.121 0.000 2.365 257 Y HA 0.264 4.815 4.550 0.002 0.000 0.340 257 Y C 0.305 176.175 175.900 -0.050 0.000 1.016 257 Y CA -0.209 57.849 58.100 -0.070 0.000 1.196 257 Y CB 0.554 38.989 38.460 -0.042 0.000 1.167 257 Y HN 0.575 nan 8.280 nan 0.000 0.509 258 N N 4.635 123.019 118.700 -0.528 0.000 2.664 258 N HA 0.280 5.021 4.740 0.002 0.000 0.287 258 N C 0.284 175.481 175.510 -0.522 0.000 1.869 258 N CA 0.625 53.414 53.050 -0.435 0.000 0.832 258 N CB 0.101 38.454 38.487 -0.223 0.000 1.293 258 N HN 1.070 nan 8.380 nan 0.000 0.498 259 G N 2.226 110.483 108.800 -0.906 0.000 2.614 259 G HA2 -0.430 3.531 3.960 0.002 0.000 0.303 259 G HA3 -0.430 3.531 3.960 0.002 0.000 0.303 259 G C 0.890 175.618 174.900 -0.285 0.000 1.270 259 G CA 0.864 45.651 45.100 -0.523 0.000 0.988 259 G HN 0.629 nan 8.290 nan 0.000 0.551 260 K N 0.528 120.839 120.400 -0.149 0.000 2.439 260 K HA 0.257 4.578 4.320 0.002 0.000 0.197 260 K C 2.190 178.744 176.600 -0.077 0.000 1.041 260 K CA 1.478 57.728 56.287 -0.061 0.000 0.970 260 K CB -0.111 32.371 32.500 -0.030 0.000 0.773 260 K HN 0.469 nan 8.250 nan 0.000 0.479 261 L N 1.727 122.872 121.223 -0.130 0.000 2.591 261 L HA 0.107 4.448 4.340 0.002 0.000 0.228 261 L C 0.205 177.013 176.870 -0.104 0.000 1.133 261 L CA -0.437 54.334 54.840 -0.116 0.000 0.880 261 L CB -0.057 41.916 42.059 -0.143 0.000 1.033 261 L HN 0.068 nan 8.230 nan 0.000 0.450 262 S N 0.541 116.174 115.700 -0.112 0.000 2.573 262 S HA -0.023 4.448 4.470 0.002 0.000 0.277 262 S C 0.497 175.095 174.600 -0.003 0.000 1.346 262 S CA -0.336 57.830 58.200 -0.057 0.000 1.034 262 S CB 0.786 63.991 63.200 0.010 0.000 0.879 262 S HN 0.197 nan 8.310 nan 0.000 0.528 263 E N 0.906 121.112 120.200 0.009 0.000 2.481 263 E HA -0.079 4.272 4.350 0.002 0.000 0.263 263 E C 0.997 177.632 176.600 0.058 0.000 0.992 263 E CA -0.206 56.214 56.400 0.033 0.000 0.938 263 E CB 0.341 30.068 29.700 0.045 0.000 0.933 263 E HN 0.553 nan 8.360 nan 0.000 0.453 264 I N 4.426 125.030 120.570 0.055 0.000 2.163 264 I HA -0.308 3.863 4.170 0.002 0.000 0.243 264 I C 2.318 178.487 176.117 0.087 0.000 1.085 264 I CA 2.345 63.685 61.300 0.067 0.000 1.347 264 I CB -0.650 37.381 38.000 0.051 0.000 1.044 264 I HN 0.631 nan 8.210 nan 0.000 0.408 265 S N 0.170 115.921 115.700 0.084 0.000 2.383 265 S HA -0.201 4.270 4.470 0.002 0.000 0.227 265 S C 2.191 176.872 174.600 0.135 0.000 1.026 265 S CA 1.410 59.674 58.200 0.106 0.000 0.981 265 S CB -1.237 62.018 63.200 0.091 0.000 0.818 265 S HN 0.577 nan 8.310 nan 0.000 0.472 266 L N 1.184 122.470 121.223 0.103 0.000 2.005 266 L HA -0.036 4.305 4.340 0.002 0.000 0.207 266 L C 2.767 179.740 176.870 0.171 0.000 1.072 266 L CA 1.896 56.793 54.840 0.096 0.000 0.744 266 L CB -0.488 41.600 42.059 0.048 0.000 0.895 266 L HN 0.323 nan 8.230 nan 0.000 0.433 267 K N -0.165 120.354 120.400 0.199 0.000 2.020 267 K HA -0.249 4.072 4.320 0.002 0.000 0.212 267 K C 1.888 178.605 176.600 0.195 0.000 1.050 267 K CA 2.144 58.591 56.287 0.267 0.000 0.929 267 K CB -0.110 32.519 32.500 0.214 0.000 0.714 267 K HN 0.387 nan 8.250 nan 0.000 0.443 268 N N 0.151 118.943 118.700 0.154 0.000 2.120 268 N HA -0.178 4.563 4.740 0.002 0.000 0.188 268 N C 1.609 177.183 175.510 0.107 0.000 1.024 268 N CA 1.183 54.300 53.050 0.111 0.000 0.852 268 N CB -0.439 38.104 38.487 0.092 0.000 1.003 268 N HN 0.202 nan 8.380 nan 0.000 0.424 269 F N 1.482 121.441 119.950 0.015 0.000 2.051 269 F HA -0.170 4.358 4.527 0.002 0.000 0.296 269 F C 2.218 177.990 175.800 -0.047 0.000 1.122 269 F CA 1.028 59.026 58.000 -0.004 0.000 1.201 269 F CB -0.233 38.768 39.000 0.002 0.000 0.978 269 F HN -0.218 nan 8.300 nan 0.000 0.472 270 V N 0.393 120.437 119.914 0.216 0.000 2.332 270 V HA -0.314 3.807 4.120 0.002 0.000 0.248 270 V C 1.957 177.997 176.094 -0.090 0.000 1.055 270 V CA 2.378 64.665 62.300 -0.022 0.000 1.038 270 V CB -0.714 30.884 31.823 -0.375 0.000 0.651 270 V HN 0.375 nan 8.190 nan 0.000 0.450 271 E N 0.308 120.489 120.200 -0.033 0.000 2.427 271 E HA -0.069 4.282 4.350 0.002 0.000 0.196 271 E C 1.999 178.589 176.600 -0.017 0.000 1.028 271 E CA 1.031 57.437 56.400 0.010 0.000 0.864 271 E CB -0.028 29.736 29.700 0.108 0.000 0.813 271 E HN 0.745 nan 8.360 nan 0.000 0.514 272 S N -0.013 115.652 115.700 -0.059 0.000 2.540 272 S HA 0.319 4.790 4.470 0.002 0.000 0.218 272 S C 0.907 175.428 174.600 -0.131 0.000 0.977 272 S CA -0.314 57.831 58.200 -0.093 0.000 0.918 272 S CB 0.427 63.559 63.200 -0.113 0.000 0.806 272 S HN 0.162 nan 8.310 nan 0.000 0.496 273 A N 2.860 125.594 122.820 -0.143 0.000 2.531 273 A HA 0.278 4.599 4.320 0.002 0.000 0.236 273 A C 1.184 178.752 177.584 -0.027 0.000 1.062 273 A CA 0.348 52.312 52.037 -0.120 0.000 0.760 273 A CB 0.087 19.042 19.000 -0.075 0.000 0.995 273 A HN 0.565 nan 8.150 nan 0.000 0.501 274 D N 0.280 120.693 120.400 0.021 0.000 2.348 274 D HA 0.094 4.735 4.640 0.002 0.000 0.211 274 D C -0.130 176.305 176.300 0.224 0.000 0.998 274 D CA 0.306 54.359 54.000 0.088 0.000 0.873 274 D CB 0.020 40.860 40.800 0.066 0.000 0.925 274 D HN 0.292 nan 8.370 nan 0.000 0.524 275 F N 0.490 120.473 119.950 0.055 0.000 2.588 275 F HA 0.503 5.031 4.527 0.002 0.000 0.314 275 F C -1.935 173.905 175.800 0.068 0.000 1.134 275 F CA -1.567 56.495 58.000 0.104 0.000 0.961 275 F CB 1.411 40.489 39.000 0.131 0.000 1.239 275 F HN -0.260 nan 8.300 nan 0.000 0.448 276 I N 6.864 126.954 120.570 -0.799 0.000 2.389 276 I HA 0.387 4.558 4.170 0.002 0.000 0.288 276 I C -1.423 174.076 176.117 -1.031 0.000 0.999 276 I CA -0.957 59.925 61.300 -0.698 0.000 1.129 276 I CB 1.830 39.644 38.000 -0.309 0.000 1.288 276 I HN 0.484 nan 8.210 nan 0.000 0.444 277 L N 7.931 128.719 121.223 -0.725 0.000 2.277 277 L HA 0.526 4.867 4.340 0.002 0.000 0.284 277 L C -0.568 176.195 176.870 -0.178 0.000 1.028 277 L CA -0.113 54.492 54.840 -0.391 0.000 0.835 277 L CB 0.741 42.726 42.059 -0.124 0.000 1.215 277 L HN 0.512 nan 8.230 nan 0.000 0.425 278 M N 6.644 126.161 119.600 -0.137 0.000 2.157 278 M HA 0.376 4.857 4.480 0.002 0.000 0.354 278 M C -1.017 175.285 176.300 0.002 0.000 1.170 278 M CA -0.286 54.981 55.300 -0.055 0.000 1.060 278 M CB 1.210 33.785 32.600 -0.042 0.000 1.615 278 M HN 0.458 nan 8.290 nan 0.000 0.460 279 L N 2.653 123.900 121.223 0.041 0.000 2.324 279 L HA 0.462 4.803 4.340 0.002 0.000 0.274 279 L C 0.859 177.827 176.870 0.164 0.000 1.012 279 L CA -0.426 54.490 54.840 0.127 0.000 0.859 279 L CB 1.358 43.458 42.059 0.067 0.000 1.224 279 L HN 1.084 nan 8.230 nan 0.000 0.429 280 G N 2.734 111.637 108.800 0.173 0.000 2.198 280 G HA2 -0.204 3.757 3.960 0.002 0.000 0.257 280 G HA3 -0.204 3.757 3.960 0.002 0.000 0.257 280 G C -0.190 174.580 174.900 -0.217 0.000 1.042 280 G CA -0.084 44.939 45.100 -0.128 0.000 0.791 280 G HN 0.375 nan 8.290 nan 0.000 0.502 281 V N 0.035 119.895 119.914 -0.091 0.000 2.532 281 V HA 0.629 4.750 4.120 0.002 0.000 0.295 281 V C 0.439 176.540 176.094 0.013 0.000 1.041 281 V CA -0.368 61.908 62.300 -0.040 0.000 0.926 281 V CB 1.842 33.668 31.823 0.005 0.000 0.992 281 V HN 0.322 nan 8.190 nan 0.000 0.457 282 K N 4.725 125.173 120.400 0.080 0.000 2.426 282 K HA 0.585 4.906 4.320 0.002 0.000 0.254 282 K C -1.413 175.314 176.600 0.212 0.000 0.936 282 K CA -0.655 55.738 56.287 0.176 0.000 0.801 282 K CB 2.245 34.931 32.500 0.309 0.000 1.139 282 K HN 0.483 nan 8.250 nan 0.000 0.424 283 L N 3.487 124.794 121.223 0.140 0.000 2.268 283 L HA 0.249 4.590 4.340 0.002 0.000 0.289 283 L C 0.590 177.559 176.870 0.165 0.000 1.064 283 L CA -0.290 54.588 54.840 0.063 0.000 0.824 283 L CB 0.638 42.631 42.059 -0.110 0.000 1.202 283 L HN 0.739 nan 8.230 nan 0.000 0.433 284 T N -2.963 111.656 114.554 0.109 0.000 2.927 284 T HA 0.258 4.609 4.350 0.002 0.000 0.286 284 T C 0.852 175.376 174.700 -0.294 0.000 1.040 284 T CA -0.546 61.592 62.100 0.063 0.000 1.010 284 T CB 1.778 70.641 68.868 -0.009 0.000 1.177 284 T HN 0.564 nan 8.240 nan 0.000 0.546 285 D N 1.252 121.380 120.400 -0.453 0.000 2.104 285 D HA -0.131 4.510 4.640 0.002 0.000 0.194 285 D C 1.857 177.905 176.300 -0.420 0.000 0.994 285 D CA 1.580 55.079 54.000 -0.834 0.000 0.830 285 D CB -1.041 39.512 40.800 -0.412 0.000 0.959 285 D HN 0.445 nan 8.370 nan 0.000 0.452 286 S N -0.524 115.094 115.700 -0.137 0.000 2.481 286 S HA -0.038 4.433 4.470 0.002 0.000 0.231 286 S C 1.713 176.326 174.600 0.022 0.000 0.996 286 S CA 0.851 59.072 58.200 0.036 0.000 0.942 286 S CB -0.162 63.158 63.200 0.199 0.000 0.768 286 S HN 0.557 nan 8.310 nan 0.000 0.520 287 S N 0.541 116.204 115.700 -0.062 0.000 2.554 287 S HA 0.102 4.573 4.470 0.002 0.000 0.226 287 S C 0.970 175.503 174.600 -0.111 0.000 0.980 287 S CA 0.220 58.412 58.200 -0.013 0.000 0.939 287 S CB -0.013 63.248 63.200 0.102 0.000 0.832 287 S HN 0.456 nan 8.310 nan 0.000 0.486 288 T N -3.020 111.408 114.554 -0.210 0.000 3.399 288 T HA 0.531 4.882 4.350 0.002 0.000 0.305 288 T C 1.072 175.631 174.700 -0.235 0.000 0.983 288 T CA 0.155 62.114 62.100 -0.235 0.000 0.967 288 T CB -0.113 68.629 68.868 -0.209 0.000 1.186 288 T HN 1.045 nan 8.240 nan 0.000 0.504 289 G N 1.590 110.235 108.800 -0.258 0.000 2.323 289 G HA2 0.142 4.103 3.960 0.002 0.000 0.292 289 G HA3 0.142 4.103 3.960 0.002 0.000 0.292 289 G C 0.728 175.464 174.900 -0.272 0.000 1.040 289 G CA 0.318 45.263 45.100 -0.258 0.000 0.942 289 G HN 2.033 nan 8.290 nan 0.000 0.506 290 A N -1.124 121.458 122.820 -0.397 0.000 2.734 290 A HA 0.137 4.458 4.320 0.002 0.000 0.296 290 A C 1.084 178.557 177.584 -0.186 0.000 1.474 290 A CA 0.878 52.660 52.037 -0.425 0.000 0.735 290 A CB -2.107 16.735 19.000 -0.265 0.000 1.062 290 A HN 2.158 nan 8.150 nan 0.000 0.463 291 F N -2.555 117.417 119.950 0.038 0.000 3.080 291 F HA -0.231 4.297 4.527 0.002 0.000 0.292 291 F C 1.324 177.138 175.800 0.024 0.000 0.891 291 F CA 1.910 60.005 58.000 0.160 0.000 1.086 291 F CB -2.531 36.536 39.000 0.112 0.000 1.095 291 F HN 1.167 nan 8.300 nan 0.000 0.633 292 T N -3.328 111.267 114.554 0.069 0.000 3.214 292 T HA 0.161 4.512 4.350 0.002 0.000 0.264 292 T C 0.589 175.118 174.700 -0.285 0.000 1.012 292 T CA 0.067 62.084 62.100 -0.140 0.000 0.901 292 T CB -0.277 68.529 68.868 -0.103 0.000 1.070 292 T HN 0.553 nan 8.240 nan 0.000 0.561 293 H N 0.556 119.494 119.070 -0.219 0.000 2.690 293 H HA 0.269 4.827 4.556 0.002 0.000 0.365 293 H C -0.905 174.268 175.328 -0.257 0.000 1.142 293 H CA -0.169 55.814 56.048 -0.108 0.000 1.417 293 H CB 0.309 30.129 29.762 0.097 0.000 1.446 293 H HN 0.309 nan 8.280 nan 0.000 0.599 294 H N 3.084 122.298 119.070 0.239 0.000 2.675 294 H HA 0.326 4.884 4.556 0.002 0.000 0.258 294 H C -0.472 174.937 175.328 0.135 0.000 1.271 294 H CA -0.468 55.640 56.048 0.099 0.000 1.462 294 H CB 0.495 30.304 29.762 0.077 0.000 1.467 294 H HN 0.429 nan 8.280 nan 0.000 0.501 295 L N 2.507 123.871 121.223 0.235 0.000 2.345 295 L HA 0.182 4.523 4.340 0.002 0.000 0.274 295 L C 0.245 177.191 176.870 0.127 0.000 0.999 295 L CA -0.716 54.224 54.840 0.167 0.000 0.849 295 L CB 1.810 43.989 42.059 0.201 0.000 1.220 295 L HN 0.328 nan 8.230 nan 0.000 0.422 296 D N 3.785 124.240 120.400 0.091 0.000 2.344 296 D HA -0.025 4.616 4.640 0.002 0.000 0.253 296 D C 1.352 177.707 176.300 0.092 0.000 1.255 296 D CA -0.091 53.961 54.000 0.088 0.000 0.894 296 D CB 1.093 41.938 40.800 0.077 0.000 1.067 296 D HN 0.549 nan 8.370 nan 0.000 0.492 297 E N 3.708 123.965 120.200 0.094 0.000 2.171 297 E HA -0.273 4.078 4.350 0.002 0.000 0.197 297 E C 0.614 177.305 176.600 0.151 0.000 0.997 297 E CA 0.936 57.394 56.400 0.096 0.000 0.810 297 E CB -0.236 29.516 29.700 0.086 0.000 0.738 297 E HN 0.419 nan 8.360 nan 0.000 0.467 298 N N 1.300 120.094 118.700 0.156 0.000 2.381 298 N HA -0.068 4.673 4.740 0.002 0.000 0.182 298 N C 0.819 176.519 175.510 0.316 0.000 1.025 298 N CA 0.923 54.092 53.050 0.198 0.000 0.888 298 N CB 0.011 38.565 38.487 0.111 0.000 0.965 298 N HN 0.400 nan 8.380 nan 0.000 0.438 299 K N -0.218 120.362 120.400 0.301 0.000 2.514 299 K HA 0.278 4.599 4.320 0.002 0.000 0.207 299 K C 0.069 176.920 176.600 0.418 0.000 1.035 299 K CA -0.105 56.424 56.287 0.404 0.000 1.113 299 K CB 0.888 33.518 32.500 0.218 0.000 0.846 299 K HN 0.070 nan 8.250 nan 0.000 0.491 300 M N 1.493 121.246 119.600 0.255 0.000 2.464 300 M HA 0.434 4.915 4.480 0.002 0.000 0.308 300 M C -1.653 174.425 176.300 -0.371 0.000 1.127 300 M CA -0.776 54.460 55.300 -0.108 0.000 0.913 300 M CB 1.684 34.240 32.600 -0.073 0.000 1.689 300 M HN -0.015 nan 8.290 nan 0.000 0.445 301 I N 3.662 123.998 120.570 -0.390 0.000 2.382 301 I HA 0.309 4.480 4.170 0.002 0.000 0.286 301 I C -0.398 175.594 176.117 -0.208 0.000 1.002 301 I CA -0.449 60.650 61.300 -0.335 0.000 1.135 301 I CB 1.886 39.759 38.000 -0.211 0.000 1.288 301 I HN 0.720 nan 8.210 nan 0.000 0.448 302 S N 7.595 123.205 115.700 -0.151 0.000 2.472 302 S HA 0.781 5.252 4.470 0.002 0.000 0.303 302 S C -0.810 173.761 174.600 -0.048 0.000 1.099 302 S CA -0.781 57.373 58.200 -0.078 0.000 1.077 302 S CB 1.591 64.767 63.200 -0.039 0.000 1.031 302 S HN 0.481 nan 8.310 nan 0.000 0.487 303 L N 2.836 124.075 121.223 0.028 0.000 2.349 303 L HA 0.579 4.920 4.340 0.002 0.000 0.278 303 L C -0.545 176.490 176.870 0.275 0.000 0.996 303 L CA -0.636 54.296 54.840 0.153 0.000 0.825 303 L CB 1.662 43.806 42.059 0.143 0.000 1.243 303 L HN 0.714 nan 8.230 nan 0.000 0.412 304 N N 1.262 120.110 118.700 0.248 0.000 2.577 304 N HA 0.511 5.252 4.740 0.002 0.000 0.285 304 N C 0.909 176.296 175.510 -0.206 0.000 1.309 304 N CA -0.848 52.140 53.050 -0.103 0.000 0.798 304 N CB 2.070 40.509 38.487 -0.080 0.000 1.463 304 N HN 0.421 nan 8.380 nan 0.000 0.518 305 I N 0.130 120.357 120.570 -0.571 0.000 2.208 305 I HA -0.244 3.927 4.170 0.002 0.000 0.245 305 I C 0.601 176.574 176.117 -0.240 0.000 1.097 305 I CA 1.475 62.529 61.300 -0.409 0.000 1.363 305 I CB -0.029 37.800 38.000 -0.285 0.000 1.051 305 I HN 0.515 nan 8.210 nan 0.000 0.413 306 D N 0.019 120.327 120.400 -0.154 0.000 2.327 306 D HA 0.045 4.686 4.640 0.002 0.000 0.205 306 D C 0.425 176.697 176.300 -0.047 0.000 0.989 306 D CA 0.473 54.411 54.000 -0.102 0.000 0.873 306 D CB 0.307 41.080 40.800 -0.045 0.000 0.955 306 D HN 0.602 nan 8.370 nan 0.000 0.515 307 E N -1.428 118.814 120.200 0.071 0.000 2.416 307 E HA 0.597 4.948 4.350 0.002 0.000 0.280 307 E C -0.807 176.058 176.600 0.440 0.000 1.055 307 E CA -1.243 55.315 56.400 0.264 0.000 0.825 307 E CB 1.118 30.906 29.700 0.147 0.000 1.312 307 E HN -0.093 nan 8.360 nan 0.000 0.452 308 G N 0.808 109.841 108.800 0.389 0.000 2.524 308 G HA2 0.619 4.580 3.960 0.002 0.000 0.310 308 G HA3 0.619 4.580 3.960 0.002 0.000 0.310 308 G C -0.970 173.927 174.900 -0.005 0.000 1.279 308 G CA -0.778 44.344 45.100 0.036 0.000 0.974 308 G HN 0.369 nan 8.290 nan 0.000 0.484 309 I N 2.731 123.272 120.570 -0.049 0.000 2.439 309 I HA 0.294 4.466 4.170 0.002 0.000 0.283 309 I C -0.815 175.233 176.117 -0.115 0.000 1.023 309 I CA -0.899 60.375 61.300 -0.042 0.000 1.100 309 I CB 1.538 39.533 38.000 -0.008 0.000 1.238 309 I HN 0.199 nan 8.210 nan 0.000 0.445 310 I N 7.199 127.706 120.570 -0.106 0.000 2.347 310 I HA 0.258 4.429 4.170 0.002 0.000 0.283 310 I C -0.224 175.865 176.117 -0.047 0.000 1.058 310 I CA -0.738 60.452 61.300 -0.184 0.000 1.202 310 I CB -0.402 37.539 38.000 -0.098 0.000 1.386 310 I HN 0.413 nan 8.210 nan 0.000 0.475 311 F N 6.014 126.001 119.950 0.061 0.000 2.866 311 F HA -0.323 4.206 4.527 0.002 0.000 0.254 311 F C 1.136 176.961 175.800 0.042 0.000 1.009 311 F CA 0.631 58.667 58.000 0.061 0.000 0.907 311 F CB -1.848 37.188 39.000 0.060 0.000 0.859 311 F HN 0.751 nan 8.300 nan 0.000 0.842 312 N N -2.313 116.470 118.700 0.139 0.000 2.980 312 N HA -0.252 4.489 4.740 0.002 0.000 0.219 312 N C 0.443 175.998 175.510 0.076 0.000 0.883 312 N CA 1.306 54.416 53.050 0.099 0.000 1.018 312 N CB -0.519 38.033 38.487 0.108 0.000 1.041 312 N HN 0.679 nan 8.380 nan 0.000 0.592 313 K N 2.424 122.869 120.400 0.076 0.000 2.284 313 K HA 0.345 4.666 4.320 0.002 0.000 0.287 313 K C -0.207 176.416 176.600 0.038 0.000 1.081 313 K CA -0.163 56.158 56.287 0.057 0.000 0.910 313 K CB 0.825 33.362 32.500 0.062 0.000 1.088 313 K HN -0.119 nan 8.250 nan 0.000 0.478 314 V N 5.420 125.360 119.914 0.044 0.000 2.555 314 V HA 0.108 4.229 4.120 0.002 0.000 0.286 314 V C 0.168 176.299 176.094 0.061 0.000 1.044 314 V CA -0.469 61.861 62.300 0.051 0.000 1.026 314 V CB 0.909 32.767 31.823 0.057 0.000 0.981 314 V HN 0.577 nan 8.190 nan 0.000 0.480 315 V N 2.002 121.965 119.914 0.082 0.000 2.735 315 V HA 0.656 4.777 4.120 0.002 0.000 0.310 315 V C 0.023 176.272 176.094 0.257 0.000 1.061 315 V CA -0.532 61.844 62.300 0.127 0.000 0.913 315 V CB 2.015 33.881 31.823 0.071 0.000 1.005 315 V HN 0.796 nan 8.190 nan 0.000 0.428 316 E N 0.871 121.210 120.200 0.232 0.000 2.508 316 E HA 0.079 4.430 4.350 0.002 0.000 0.217 316 E C -0.330 176.348 176.600 0.130 0.000 0.896 316 E CA 0.386 56.898 56.400 0.185 0.000 1.118 316 E CB 0.564 30.312 29.700 0.080 0.000 1.133 316 E HN 0.986 nan 8.360 nan 0.000 0.526 317 D N 1.670 122.190 120.400 0.199 0.000 2.896 317 D HA 0.070 4.712 4.640 0.002 0.000 0.240 317 D C -0.170 176.260 176.300 0.216 0.000 1.193 317 D CA -0.214 53.864 54.000 0.129 0.000 0.983 317 D CB -0.847 40.010 40.800 0.096 0.000 1.074 317 D HN 0.057 nan 8.370 nan 0.000 0.496 318 F N -1.645 118.312 119.950 0.012 0.000 2.668 318 F HA 0.508 5.036 4.527 0.002 0.000 0.309 318 F C -1.667 174.139 175.800 0.009 0.000 1.117 318 F CA -1.537 56.465 58.000 0.003 0.000 0.951 318 F CB 1.358 40.356 39.000 -0.003 0.000 1.323 318 F HN -0.190 nan 8.300 nan 0.000 0.451 319 D N 2.125 122.531 120.400 0.010 0.000 2.373 319 D HA 0.231 4.872 4.640 0.002 0.000 0.227 319 D C 0.579 176.908 176.300 0.049 0.000 1.091 319 D CA -0.551 53.399 54.000 -0.084 0.000 0.840 319 D CB 0.786 41.566 40.800 -0.033 0.000 1.060 319 D HN 0.539 nan 8.370 nan 0.000 0.502 320 F N 4.715 124.538 119.950 -0.212 0.000 2.063 320 F HA -0.203 4.325 4.527 0.001 0.000 0.298 320 F C 2.161 177.805 175.800 -0.261 0.000 1.109 320 F CA 1.696 59.635 58.000 -0.102 0.000 1.212 320 F CB 0.023 38.866 39.000 -0.262 0.000 0.973 320 F HN 0.409 nan 8.300 nan 0.000 0.480 321 R N 0.411 120.609 120.500 -0.504 0.000 2.081 321 R HA -0.155 4.186 4.340 0.002 0.000 0.235 321 R C 2.357 178.464 176.300 -0.321 0.000 1.131 321 R CA 1.373 57.140 56.100 -0.556 0.000 0.960 321 R CB -0.747 29.280 30.300 -0.454 0.000 0.856 321 R HN 0.412 nan 8.270 nan 0.000 0.436 322 A N 0.372 123.080 122.820 -0.187 0.000 1.908 322 A HA -0.116 4.205 4.320 0.002 0.000 0.218 322 A C 2.279 179.780 177.584 -0.139 0.000 1.181 322 A CA 1.726 53.695 52.037 -0.113 0.000 0.627 322 A CB -0.561 18.412 19.000 -0.045 0.000 0.818 322 A HN 0.242 nan 8.150 nan 0.000 0.445 323 V N -0.537 119.289 119.914 -0.147 0.000 2.358 323 V HA -0.197 3.925 4.120 0.002 0.000 0.246 323 V C 2.554 178.478 176.094 -0.282 0.000 1.047 323 V CA 1.867 64.064 62.300 -0.172 0.000 1.035 323 V CB -0.687 31.063 31.823 -0.122 0.000 0.658 323 V HN 0.363 nan 8.190 nan 0.000 0.452 324 V N -0.126 119.536 119.914 -0.418 0.000 2.427 324 V HA -0.208 3.913 4.120 0.002 0.000 0.248 324 V C 2.485 178.382 176.094 -0.329 0.000 1.051 324 V CA 2.250 64.279 62.300 -0.452 0.000 1.048 324 V CB -0.558 30.882 31.823 -0.638 0.000 0.666 324 V HN 0.554 nan 8.190 nan 0.000 0.456 325 S N 0.579 116.123 115.700 -0.260 0.000 2.453 325 S HA -0.108 4.364 4.470 0.002 0.000 0.231 325 S C 1.949 176.463 174.600 -0.143 0.000 1.005 325 S CA 1.299 59.399 58.200 -0.166 0.000 0.949 325 S CB -0.196 62.934 63.200 -0.118 0.000 0.774 325 S HN 0.800 nan 8.310 nan 0.000 0.510 326 S N 0.881 116.483 115.700 -0.164 0.000 2.575 326 S HA 0.264 4.735 4.470 0.002 0.000 0.215 326 S C 1.406 175.903 174.600 -0.171 0.000 0.966 326 S CA -0.133 57.988 58.200 -0.131 0.000 0.911 326 S CB -0.450 62.688 63.200 -0.104 0.000 0.780 326 S HN 0.368 nan 8.310 nan 0.000 0.514 327 L N 0.998 122.047 121.223 -0.290 0.000 2.141 327 L HA 0.043 4.384 4.340 0.002 0.000 0.209 327 L C 2.101 178.815 176.870 -0.260 0.000 1.094 327 L CA 0.927 55.474 54.840 -0.488 0.000 0.763 327 L CB -0.409 41.015 42.059 -1.058 0.000 0.908 327 L HN 0.332 nan 8.230 nan 0.000 0.437 328 S N -0.830 114.819 115.700 -0.086 0.000 2.671 328 S HA 0.009 4.480 4.470 0.002 0.000 0.220 328 S C 1.318 175.951 174.600 0.054 0.000 0.951 328 S CA 0.054 58.311 58.200 0.095 0.000 0.932 328 S CB -0.068 63.203 63.200 0.119 0.000 0.777 328 S HN 0.387 nan 8.310 nan 0.000 0.508 329 E N 0.703 120.908 120.200 0.008 0.000 2.435 329 E HA 0.101 4.452 4.350 0.002 0.000 0.195 329 E C -0.194 176.427 176.600 0.034 0.000 1.029 329 E CA 0.229 56.637 56.400 0.013 0.000 0.865 329 E CB 0.133 29.827 29.700 -0.011 0.000 0.833 329 E HN 0.446 nan 8.360 nan 0.000 0.510 330 L N 2.362 123.620 121.223 0.059 0.000 2.360 330 L HA 0.175 4.516 4.340 0.002 0.000 0.276 330 L C 0.362 177.301 176.870 0.115 0.000 1.121 330 L CA -0.031 54.864 54.840 0.092 0.000 0.845 330 L CB 0.310 42.452 42.059 0.139 0.000 1.143 330 L HN -0.140 nan 8.230 nan 0.000 0.452 331 K N 1.819 122.266 120.400 0.078 0.000 2.267 331 K HA 0.508 4.829 4.320 0.002 0.000 0.246 331 K C 0.699 177.333 176.600 0.056 0.000 0.954 331 K CA -0.141 56.185 56.287 0.065 0.000 0.824 331 K CB 1.910 34.437 32.500 0.044 0.000 1.167 331 K HN 0.744 nan 8.250 nan 0.000 0.431 332 G N 1.219 110.048 108.800 0.047 0.000 2.159 332 G HA2 -0.243 3.719 3.960 0.002 0.000 0.256 332 G HA3 -0.243 3.719 3.960 0.002 0.000 0.256 332 G C 0.019 174.944 174.900 0.041 0.000 0.977 332 G CA -0.086 45.036 45.100 0.037 0.000 0.652 332 G HN 0.495 nan 8.290 nan 0.000 0.531 333 I N 1.000 121.602 120.570 0.053 0.000 2.337 333 I HA 0.469 4.640 4.170 0.002 0.000 0.291 333 I C 0.328 176.467 176.117 0.036 0.000 1.046 333 I CA -0.048 61.285 61.300 0.055 0.000 1.324 333 I CB 1.412 39.458 38.000 0.078 0.000 1.409 333 I HN 0.186 nan 8.210 nan 0.000 0.494 334 E N 6.516 126.749 120.200 0.055 0.000 2.317 334 E HA 0.152 4.503 4.350 0.002 0.000 0.270 334 E C -1.577 175.088 176.600 0.108 0.000 0.899 334 E CA -0.765 55.673 56.400 0.063 0.000 0.814 334 E CB 1.406 31.126 29.700 0.033 0.000 1.296 334 E HN 0.477 nan 8.360 nan 0.000 0.404 335 Y N 3.438 123.750 120.300 0.020 0.000 2.465 335 Y HA 0.088 4.639 4.550 0.002 0.000 0.331 335 Y C 0.395 176.297 175.900 0.003 0.000 1.102 335 Y CA 0.773 58.893 58.100 0.034 0.000 1.358 335 Y CB 0.878 39.390 38.460 0.085 0.000 1.213 335 Y HN 0.596 nan 8.280 nan 0.000 0.525 336 E N 3.384 123.241 120.200 -0.572 0.000 2.538 336 E HA 0.201 4.552 4.350 0.002 0.000 0.207 336 E C 0.754 176.946 176.600 -0.679 0.000 1.002 336 E CA -0.019 56.099 56.400 -0.469 0.000 0.952 336 E CB 0.596 30.148 29.700 -0.247 0.000 1.031 336 E HN 0.861 nan 8.360 nan 0.000 0.476 337 G N 0.553 108.516 108.800 -1.396 0.000 2.510 337 G HA2 0.189 4.150 3.960 0.002 0.000 0.280 337 G HA3 0.189 4.150 3.960 0.002 0.000 0.280 337 G C 0.074 174.637 174.900 -0.563 0.000 1.386 337 G CA -0.408 44.169 45.100 -0.872 0.000 1.047 337 G HN -0.124 nan 8.290 nan 0.000 0.527 338 Q N -1.345 118.347 119.800 -0.181 0.000 2.180 338 Q HA 0.413 4.754 4.340 0.002 0.000 0.241 338 Q C -0.749 175.225 176.000 -0.043 0.000 0.970 338 Q CA -0.383 55.328 55.803 -0.153 0.000 0.919 338 Q CB 1.376 30.114 28.738 0.001 0.000 1.222 338 Q HN 0.557 nan 8.270 nan 0.000 0.482 339 Y N -0.195 120.222 120.300 0.194 0.000 3.203 339 Y HA 0.485 5.036 4.550 0.002 0.000 0.371 339 Y C 0.880 176.772 175.900 -0.014 0.000 1.249 339 Y CA -0.840 57.246 58.100 -0.024 0.000 1.040 339 Y CB 0.062 38.460 38.460 -0.103 0.000 1.244 339 Y HN 0.545 nan 8.280 nan 0.000 0.875 340 I N -1.659 118.965 120.570 0.091 0.000 2.957 340 I HA 0.510 4.681 4.170 0.002 0.000 0.310 340 I C -1.237 174.913 176.117 0.055 0.000 1.063 340 I CA -1.240 60.101 61.300 0.068 0.000 1.033 340 I CB 1.941 39.949 38.000 0.014 0.000 1.230 340 I HN 0.199 nan 8.210 nan 0.000 0.447 341 D N 3.478 123.907 120.400 0.048 0.000 2.417 341 D HA 0.145 4.786 4.640 0.002 0.000 0.250 341 D C -0.379 175.917 176.300 -0.007 0.000 1.166 341 D CA 0.220 54.237 54.000 0.029 0.000 0.881 341 D CB 0.915 41.734 40.800 0.032 0.000 1.164 341 D HN 0.311 nan 8.370 nan 0.000 0.467 342 K N 2.511 122.891 120.400 -0.034 0.000 2.285 342 K HA 0.086 4.407 4.320 0.002 0.000 0.286 342 K C 0.263 176.823 176.600 -0.066 0.000 1.072 342 K CA -0.348 55.870 56.287 -0.115 0.000 0.913 342 K CB 1.347 33.756 32.500 -0.152 0.000 1.067 342 K HN 0.481 nan 8.250 nan 0.000 0.479 343 Q N 2.667 122.426 119.800 -0.070 0.000 2.392 343 Q HA -0.042 4.299 4.340 0.002 0.000 0.262 343 Q C -0.866 175.150 176.000 0.026 0.000 1.003 343 Q CA -0.175 55.632 55.803 0.005 0.000 0.888 343 Q CB 0.434 29.186 28.738 0.022 0.000 1.260 343 Q HN 0.383 nan 8.270 nan 0.000 0.435 344 Y N 2.848 123.126 120.300 -0.037 0.000 2.442 344 Y HA 0.069 4.620 4.550 0.002 0.000 0.330 344 Y C -0.744 175.153 175.900 -0.004 0.000 1.129 344 Y CA 0.127 58.211 58.100 -0.025 0.000 1.365 344 Y CB 0.705 39.159 38.460 -0.010 0.000 1.233 344 Y HN 0.593 nan 8.280 nan 0.000 0.529 345 E N 4.953 124.794 120.200 -0.598 0.000 2.081 345 E HA 0.262 4.613 4.350 0.002 0.000 0.276 345 E C -1.021 175.225 176.600 -0.591 0.000 0.950 345 E CA -0.505 55.642 56.400 -0.423 0.000 0.776 345 E CB 1.067 30.635 29.700 -0.221 0.000 1.094 345 E HN 0.470 nan 8.360 nan 0.000 0.402 346 E N 3.191 123.208 120.200 -0.305 0.000 2.366 346 E HA 0.426 4.777 4.350 0.002 0.000 0.278 346 E C -2.119 174.529 176.600 0.079 0.000 0.923 346 E CA -0.797 55.520 56.400 -0.138 0.000 0.761 346 E CB 1.125 30.772 29.700 -0.087 0.000 1.231 346 E HN 0.343 nan 8.360 nan 0.000 0.443 347 F N 5.140 125.066 119.950 -0.040 0.000 2.579 347 F HA 0.540 5.069 4.527 0.002 0.000 0.325 347 F C -1.378 174.427 175.800 0.009 0.000 1.162 347 F CA -0.837 57.157 58.000 -0.010 0.000 0.946 347 F CB 0.911 39.910 39.000 -0.001 0.000 1.211 347 F HN 0.369 nan 8.300 nan 0.000 0.447 348 I N 8.203 128.433 120.570 -0.567 0.000 2.359 348 I HA 0.292 4.463 4.170 0.002 0.000 0.284 348 I C -2.128 173.607 176.117 -0.637 0.000 1.018 348 I CA -2.338 58.723 61.300 -0.399 0.000 1.173 348 I CB 0.748 38.620 38.000 -0.214 0.000 1.326 348 I HN 0.386 nan 8.210 nan 0.000 0.462 349 P HA 0.252 nan 4.420 nan 0.000 0.274 349 P C -0.227 176.989 177.300 -0.140 0.000 1.237 349 P CA -0.054 62.893 63.100 -0.254 0.000 0.793 349 P CB 1.323 33.089 31.700 0.110 0.000 0.977 350 S N -0.720 114.931 115.700 -0.080 0.000 2.810 350 S HA 0.369 4.840 4.470 0.002 0.000 0.315 350 S C 0.938 175.543 174.600 0.008 0.000 1.138 350 S CA -0.017 58.159 58.200 -0.039 0.000 0.889 350 S CB 0.728 63.895 63.200 -0.054 0.000 1.236 350 S HN 0.434 nan 8.310 nan 0.000 0.548 351 S N -0.186 115.518 115.700 0.007 0.000 2.603 351 S HA 0.395 4.866 4.470 0.002 0.000 0.220 351 S C 0.855 175.466 174.600 0.020 0.000 0.967 351 S CA -0.095 58.118 58.200 0.020 0.000 0.920 351 S CB -1.057 62.152 63.200 0.015 0.000 0.773 351 S HN 1.185 nan 8.310 nan 0.000 0.529 352 A N 2.887 125.715 122.820 0.013 0.000 2.483 352 A HA 0.516 4.837 4.320 0.002 0.000 0.238 352 A C -2.333 175.260 177.584 0.016 0.000 1.070 352 A CA -1.302 50.741 52.037 0.009 0.000 0.770 352 A CB -0.432 18.569 19.000 -0.000 0.000 1.008 352 A HN 0.313 nan 8.150 nan 0.000 0.497 353 P HA 0.066 nan 4.420 nan 0.000 0.267 353 P C -0.283 177.009 177.300 -0.013 0.000 1.200 353 P CA -0.286 62.816 63.100 0.003 0.000 0.772 353 P CB 0.278 31.978 31.700 -0.002 0.000 0.855 354 L N 2.233 123.438 121.223 -0.029 0.000 2.540 354 L HA 0.059 4.401 4.340 0.002 0.000 0.276 354 L C 0.918 177.727 176.870 -0.102 0.000 1.212 354 L CA 1.208 55.994 54.840 -0.090 0.000 0.893 354 L CB -0.566 41.412 42.059 -0.136 0.000 1.138 354 L HN 0.559 nan 8.230 nan 0.000 0.491 355 S N 3.206 118.830 115.700 -0.127 0.000 2.600 355 S HA 0.418 4.889 4.470 0.002 0.000 0.300 355 S C 0.558 175.045 174.600 -0.189 0.000 1.087 355 S CA -0.856 57.277 58.200 -0.113 0.000 0.965 355 S CB 2.303 65.469 63.200 -0.058 0.000 1.089 355 S HN 0.527 nan 8.310 nan 0.000 0.496 356 Q N 1.019 120.742 119.800 -0.128 0.000 2.030 356 Q HA -0.140 4.201 4.340 0.002 0.000 0.204 356 Q C 1.099 177.031 176.000 -0.112 0.000 0.986 356 Q CA 1.970 57.697 55.803 -0.126 0.000 0.843 356 Q CB -0.546 28.239 28.738 0.078 0.000 0.904 356 Q HN 0.764 nan 8.270 nan 0.000 0.420 357 D N 0.064 120.465 120.400 0.002 0.000 2.117 357 D HA -0.132 4.509 4.640 0.002 0.000 0.197 357 D C 1.968 178.258 176.300 -0.017 0.000 0.987 357 D CA 0.790 54.824 54.000 0.056 0.000 0.829 357 D CB -0.033 40.797 40.800 0.051 0.000 0.961 357 D HN 0.118 nan 8.370 nan 0.000 0.460 358 R N 0.365 120.826 120.500 -0.066 0.000 2.092 358 R HA -0.058 4.283 4.340 0.002 0.000 0.231 358 R C 2.321 178.425 176.300 -0.327 0.000 1.119 358 R CA 0.145 56.232 56.100 -0.022 0.000 0.970 358 R CB -0.918 29.434 30.300 0.086 0.000 0.864 358 R HN 0.225 nan 8.270 nan 0.000 0.440 359 L N 0.138 121.005 121.223 -0.593 0.000 2.013 359 L HA -0.147 4.194 4.340 0.002 0.000 0.212 359 L C 1.796 178.029 176.870 -1.061 0.000 1.073 359 L CA 1.779 55.965 54.840 -1.090 0.000 0.753 359 L CB -0.720 40.525 42.059 -1.357 0.000 0.890 359 L HN 0.153 nan 8.230 nan 0.000 0.432 360 W N -0.515 120.553 121.300 -0.387 0.000 2.436 360 W HA -0.080 4.580 4.660 0.001 0.000 0.284 360 W C 2.585 178.941 176.519 -0.271 0.000 1.225 360 W CA 0.658 57.797 57.345 -0.345 0.000 1.271 360 W CB -0.337 28.962 29.460 -0.267 0.000 1.114 360 W HN 0.223 nan 8.180 nan 0.000 0.559 361 Q N 0.555 120.310 119.800 -0.075 0.000 2.050 361 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 361 Q C 2.512 178.372 176.000 -0.233 0.000 0.980 361 Q CA 1.858 57.636 55.803 -0.043 0.000 0.840 361 Q CB -0.640 28.167 28.738 0.114 0.000 0.898 361 Q HN 0.328 nan 8.270 nan 0.000 0.424 362 A N 0.317 122.698 122.820 -0.732 0.000 1.902 362 A HA -0.134 4.187 4.320 0.002 0.000 0.217 362 A C 2.347 179.747 177.584 -0.306 0.000 1.181 362 A CA 1.332 52.772 52.037 -0.995 0.000 0.623 362 A CB -0.701 17.399 19.000 -1.500 0.000 0.818 362 A HN 0.214 nan 8.150 nan 0.000 0.443 363 V N 0.124 119.897 119.914 -0.235 0.000 2.343 363 V HA -0.288 3.833 4.120 0.002 0.000 0.247 363 V C 2.524 178.627 176.094 0.015 0.000 1.051 363 V CA 2.355 64.635 62.300 -0.034 0.000 1.036 363 V CB -0.767 31.000 31.823 -0.093 0.000 0.654 363 V HN 0.796 nan 8.190 nan 0.000 0.451 364 E N -0.051 120.149 120.200 -0.000 0.000 2.058 364 E HA -0.262 4.089 4.350 0.002 0.000 0.194 364 E C 2.429 179.048 176.600 0.032 0.000 0.997 364 E CA 1.680 58.103 56.400 0.038 0.000 0.801 364 E CB -0.230 29.504 29.700 0.057 0.000 0.746 364 E HN 0.515 nan 8.360 nan 0.000 0.450 365 S N -0.309 115.396 115.700 0.008 0.000 2.355 365 S HA -0.059 4.412 4.470 0.002 0.000 0.222 365 S C 1.891 176.507 174.600 0.027 0.000 1.031 365 S CA 0.962 59.173 58.200 0.018 0.000 0.993 365 S CB -0.116 63.118 63.200 0.058 0.000 0.859 365 S HN 0.325 nan 8.310 nan 0.000 0.453 366 L N 0.877 122.117 121.223 0.028 0.000 2.446 366 L HA 0.140 4.481 4.340 0.002 0.000 0.219 366 L C 0.749 177.646 176.870 0.045 0.000 1.116 366 L CA 0.136 54.997 54.840 0.035 0.000 0.844 366 L CB -0.445 41.629 42.059 0.025 0.000 0.970 366 L HN 0.169 nan 8.230 nan 0.000 0.457 367 T N 0.958 115.550 114.554 0.064 0.000 2.930 367 T HA 0.150 4.501 4.350 0.002 0.000 0.306 367 T C 0.201 174.932 174.700 0.052 0.000 1.045 367 T CA 0.031 62.178 62.100 0.078 0.000 1.134 367 T CB 0.997 69.929 68.868 0.108 0.000 0.961 367 T HN 0.176 nan 8.240 nan 0.000 0.545 368 Q N 0.873 120.700 119.800 0.045 0.000 2.286 368 Q HA 0.501 4.842 4.340 0.002 0.000 0.250 368 Q C 0.119 176.134 176.000 0.026 0.000 1.021 368 Q CA -0.909 54.912 55.803 0.030 0.000 0.930 368 Q CB 1.006 29.758 28.738 0.023 0.000 1.266 368 Q HN 0.550 nan 8.270 nan 0.000 0.491 369 S N 1.495 117.206 115.700 0.019 0.000 2.584 369 S HA 0.006 4.477 4.470 0.002 0.000 0.270 369 S C 0.335 174.941 174.600 0.011 0.000 1.346 369 S CA -0.096 58.111 58.200 0.013 0.000 1.018 369 S CB 0.094 63.300 63.200 0.011 0.000 0.899 369 S HN 0.797 nan 8.310 nan 0.000 0.542 370 N N 1.058 119.761 118.700 0.006 0.000 2.727 370 N HA -0.185 4.556 4.740 0.002 0.000 0.249 370 N C -0.941 174.569 175.510 0.000 0.000 1.048 370 N CA 0.947 54.000 53.050 0.004 0.000 0.714 370 N CB -0.983 37.512 38.487 0.013 0.000 0.959 370 N HN 0.693 nan 8.380 nan 0.000 0.544 371 E N -0.800 119.393 120.200 -0.011 0.000 2.312 371 E HA 0.471 4.822 4.350 0.002 0.000 0.267 371 E C -0.680 175.862 176.600 -0.096 0.000 0.894 371 E CA -0.813 55.566 56.400 -0.034 0.000 0.773 371 E CB 1.411 31.117 29.700 0.010 0.000 1.241 371 E HN 0.128 nan 8.360 nan 0.000 0.432 372 T N 1.997 116.404 114.554 -0.244 0.000 2.770 372 T HA 0.428 4.779 4.350 0.002 0.000 0.283 372 T C 0.011 174.585 174.700 -0.210 0.000 0.988 372 T CA -0.479 61.413 62.100 -0.346 0.000 0.957 372 T CB 0.290 68.637 68.868 -0.868 0.000 0.930 372 T HN 0.251 nan 8.240 nan 0.000 0.443 373 I N 3.561 124.086 120.570 -0.074 0.000 2.331 373 I HA 0.389 4.560 4.170 0.002 0.000 0.292 373 I C -0.357 175.602 176.117 -0.263 0.000 0.998 373 I CA -0.783 60.509 61.300 -0.013 0.000 1.267 373 I CB 1.299 39.385 38.000 0.144 0.000 1.386 373 I HN 0.251 nan 8.210 nan 0.000 0.476 374 V N 5.987 125.827 119.914 -0.123 0.000 2.448 374 V HA 0.721 4.842 4.120 0.002 0.000 0.295 374 V C 0.012 176.066 176.094 -0.066 0.000 1.025 374 V CA -0.515 61.676 62.300 -0.181 0.000 0.859 374 V CB 1.496 33.302 31.823 -0.027 0.000 0.988 374 V HN 0.827 nan 8.190 nan 0.000 0.431 375 A N 3.410 126.131 122.820 -0.164 0.000 2.359 375 A HA 0.804 5.126 4.320 0.002 0.000 0.303 375 A C -0.704 176.954 177.584 0.123 0.000 1.066 375 A CA -0.589 51.470 52.037 0.037 0.000 0.730 375 A CB 1.583 20.562 19.000 -0.034 0.000 1.211 375 A HN 0.771 nan 8.150 nan 0.000 0.439 376 E N 1.540 121.816 120.200 0.127 0.000 2.313 376 E HA 0.326 4.677 4.350 0.002 0.000 0.272 376 E C -0.137 176.499 176.600 0.060 0.000 1.038 376 E CA -0.281 56.166 56.400 0.078 0.000 0.863 376 E CB 0.547 30.287 29.700 0.067 0.000 1.060 376 E HN 0.534 nan 8.360 nan 0.000 0.402 377 Q N 1.649 121.413 119.800 -0.060 0.000 2.283 377 Q HA 0.355 4.696 4.340 0.002 0.000 0.301 377 Q C 0.373 176.408 176.000 0.058 0.000 1.063 377 Q CA 1.276 57.024 55.803 -0.093 0.000 0.952 377 Q CB 0.344 28.965 28.738 -0.196 0.000 1.166 377 Q HN 0.795 nan 8.270 nan 0.000 0.381 378 G N 0.770 109.694 108.800 0.207 0.000 2.316 378 G HA2 -0.195 3.766 3.960 0.002 0.000 0.349 378 G HA3 -0.195 3.766 3.960 0.002 0.000 0.349 378 G C 0.620 175.717 174.900 0.327 0.000 1.274 378 G CA 0.055 45.299 45.100 0.240 0.000 1.018 378 G HN 0.521 nan 8.290 nan 0.000 0.486 379 T N -1.716 112.988 114.554 0.249 0.000 2.737 379 T HA -0.130 4.221 4.350 0.002 0.000 0.269 379 T C 2.396 177.199 174.700 0.171 0.000 1.040 379 T CA 2.957 65.205 62.100 0.248 0.000 1.142 379 T CB -0.544 68.474 68.868 0.251 0.000 0.861 379 T HN 0.936 nan 8.240 nan 0.000 0.456 380 S N 1.124 116.933 115.700 0.183 0.000 2.351 380 S HA -0.001 4.470 4.470 0.002 0.000 0.220 380 S C 1.446 175.870 174.600 -0.293 0.000 1.035 380 S CA 1.349 59.567 58.200 0.031 0.000 1.031 380 S CB -0.735 62.608 63.200 0.238 0.000 0.928 380 S HN 0.573 nan 8.310 nan 0.000 0.433 381 F N 1.577 121.385 119.950 -0.236 0.000 2.069 381 F HA -0.116 4.412 4.527 0.001 0.000 0.298 381 F C 1.742 177.264 175.800 -0.464 0.000 1.113 381 F CA 1.400 59.196 58.000 -0.340 0.000 1.214 381 F CB -0.487 38.226 39.000 -0.479 0.000 0.978 381 F HN 0.131 nan 8.300 nan 0.000 0.474 382 F N 0.392 120.229 119.950 -0.189 0.000 2.234 382 F HA 0.054 4.583 4.527 0.002 0.000 0.299 382 F C 2.629 178.107 175.800 -0.536 0.000 1.087 382 F CA 1.216 59.036 58.000 -0.301 0.000 1.340 382 F CB -1.352 37.610 39.000 -0.063 0.000 1.031 382 F HN 0.055 nan 8.300 nan 0.000 0.500 383 G N -0.552 107.849 108.800 -0.665 0.000 2.394 383 G HA2 -0.096 3.865 3.960 0.002 0.000 0.214 383 G HA3 -0.096 3.865 3.960 0.002 0.000 0.214 383 G C 1.856 175.939 174.900 -1.362 0.000 1.176 383 G CA 0.673 44.982 45.100 -1.318 0.000 0.786 383 G HN 0.403 nan 8.290 nan 0.000 0.533 384 A N 1.242 123.173 122.820 -1.481 0.000 2.066 384 A HA 0.081 4.403 4.320 0.002 0.000 0.218 384 A C 2.651 179.916 177.584 -0.532 0.000 1.157 384 A CA 2.034 53.567 52.037 -0.840 0.000 0.670 384 A CB -0.574 18.058 19.000 -0.613 0.000 0.804 384 A HN 0.683 nan 8.150 nan 0.000 0.453 385 S N 0.303 115.559 115.700 -0.740 0.000 2.400 385 S HA -0.186 4.285 4.470 0.002 0.000 0.232 385 S C 1.694 175.895 174.600 -0.666 0.000 1.025 385 S CA 2.022 59.673 58.200 -0.915 0.000 0.993 385 S CB -1.253 61.294 63.200 -1.088 0.000 0.808 385 S HN 0.765 nan 8.310 nan 0.000 0.478 386 T N -0.742 113.517 114.554 -0.492 0.000 3.107 386 T HA 0.422 4.773 4.350 0.002 0.000 0.249 386 T C 0.609 175.098 174.700 -0.351 0.000 1.096 386 T CA -0.471 61.398 62.100 -0.385 0.000 1.012 386 T CB -0.650 68.062 68.868 -0.260 0.000 0.977 386 T HN 0.391 nan 8.240 nan 0.000 0.527 387 I N 2.091 122.483 120.570 -0.296 0.000 2.648 387 I HA 0.163 4.334 4.170 0.002 0.000 0.284 387 I C -0.162 175.845 176.117 -0.184 0.000 1.153 387 I CA -0.485 60.730 61.300 -0.142 0.000 1.426 387 I CB 0.350 38.307 38.000 -0.073 0.000 1.381 387 I HN 0.117 nan 8.210 nan 0.000 0.571 388 F N 6.678 126.618 119.950 -0.017 0.000 2.444 388 F HA 0.247 4.775 4.527 0.002 0.000 0.360 388 F C 0.443 176.226 175.800 -0.030 0.000 1.106 388 F CA -0.192 57.812 58.000 0.007 0.000 1.170 388 F CB 0.290 39.316 39.000 0.042 0.000 1.113 388 F HN 0.200 nan 8.300 nan 0.000 0.521 389 L N 4.431 125.680 121.223 0.043 0.000 2.436 389 L HA 0.279 4.621 4.340 0.002 0.000 0.265 389 L C 0.487 177.369 176.870 0.020 0.000 1.168 389 L CA -0.566 54.282 54.840 0.013 0.000 0.815 389 L CB 0.622 42.651 42.059 -0.049 0.000 1.109 389 L HN 0.583 nan 8.230 nan 0.000 0.462 390 K N 0.427 120.838 120.400 0.019 0.000 2.362 390 K HA 0.247 4.569 4.320 0.002 0.000 0.245 390 K C 0.039 176.632 176.600 -0.012 0.000 1.040 390 K CA -0.680 55.614 56.287 0.010 0.000 0.961 390 K CB 0.908 33.419 32.500 0.019 0.000 1.252 390 K HN 0.519 nan 8.250 nan 0.000 0.503 391 S N 1.000 116.695 115.700 -0.008 0.000 2.552 391 S HA -0.080 4.391 4.470 0.002 0.000 0.289 391 S C 0.514 175.107 174.600 -0.013 0.000 1.304 391 S CA 0.460 58.652 58.200 -0.014 0.000 1.063 391 S CB -0.397 62.801 63.200 -0.004 0.000 0.848 391 S HN 0.746 nan 8.310 nan 0.000 0.499 392 N N 2.125 120.814 118.700 -0.019 0.000 2.681 392 N HA -0.184 4.557 4.740 0.002 0.000 0.250 392 N C -0.689 174.812 175.510 -0.015 0.000 1.133 392 N CA 1.254 54.295 53.050 -0.013 0.000 0.732 392 N CB -1.254 37.231 38.487 -0.003 0.000 1.107 392 N HN 0.429 nan 8.380 nan 0.000 0.559 393 S N -0.439 115.249 115.700 -0.020 0.000 2.646 393 S HA 0.617 5.088 4.470 0.002 0.000 0.276 393 S C 0.366 174.958 174.600 -0.013 0.000 1.222 393 S CA -0.552 57.639 58.200 -0.015 0.000 1.014 393 S CB 1.743 64.942 63.200 -0.001 0.000 0.991 393 S HN 0.241 nan 8.310 nan 0.000 0.533 394 R N 0.178 120.677 120.500 -0.002 0.000 2.888 394 R HA 0.612 4.953 4.340 0.002 0.000 0.264 394 R C -1.677 174.689 176.300 0.111 0.000 1.045 394 R CA -0.709 55.412 56.100 0.035 0.000 0.962 394 R CB 1.558 31.861 30.300 0.005 0.000 1.210 394 R HN 0.574 nan 8.270 nan 0.000 0.479 395 F N 0.976 120.911 119.950 -0.025 0.000 2.569 395 F HA 0.560 5.089 4.527 0.003 0.000 0.312 395 F C -1.312 174.524 175.800 0.060 0.000 1.109 395 F CA -0.682 57.320 58.000 0.004 0.000 0.919 395 F CB 1.465 40.452 39.000 -0.022 0.000 1.211 395 F HN 0.265 nan 8.300 nan 0.000 0.446 396 I N 4.774 125.181 120.570 -0.271 0.000 2.418 396 I HA 0.672 4.843 4.170 0.002 0.000 0.287 396 I C -0.167 175.859 176.117 -0.152 0.000 1.008 396 I CA -0.522 60.755 61.300 -0.038 0.000 1.104 396 I CB 1.708 39.733 38.000 0.042 0.000 1.264 396 I HN 0.729 nan 8.210 nan 0.000 0.438 397 G N 3.976 112.910 108.800 0.223 0.000 2.660 397 G HA2 0.463 4.425 3.960 0.002 0.000 0.294 397 G HA3 0.463 4.425 3.960 0.002 0.000 0.294 397 G C -1.444 173.521 174.900 0.108 0.000 1.369 397 G CA -0.331 44.954 45.100 0.309 0.000 0.912 397 G HN 0.492 nan 8.290 nan 0.000 0.479 398 Q N 0.947 120.625 119.800 -0.204 0.000 2.831 398 Q HA 0.270 4.611 4.340 0.002 0.000 0.366 398 Q C -1.823 173.853 176.000 -0.541 0.000 0.899 398 Q CA -1.802 53.786 55.803 -0.357 0.000 0.987 398 Q CB 1.763 30.175 28.738 -0.543 0.000 1.382 398 Q HN 0.373 nan 8.270 nan 0.000 0.403 399 P HA -0.120 nan 4.420 nan 0.000 0.225 399 P C 1.021 177.953 177.300 -0.612 0.000 1.156 399 P CA 0.433 63.076 63.100 -0.761 0.000 0.787 399 P CB 0.438 31.776 31.700 -0.602 0.000 0.802 400 L N -1.064 119.694 121.223 -0.774 0.000 2.062 400 L HA 0.104 4.445 4.340 0.002 0.000 0.202 400 L C 2.462 179.193 176.870 -0.232 0.000 1.079 400 L CA 1.580 56.068 54.840 -0.587 0.000 0.755 400 L CB -1.655 39.915 42.059 -0.815 0.000 0.913 400 L HN -0.060 nan 8.230 nan 0.000 0.445 401 W N 0.872 121.938 121.300 -0.390 0.000 2.379 401 W HA 0.001 4.661 4.660 0.001 0.000 0.307 401 W C 1.199 177.553 176.519 -0.275 0.000 1.200 401 W CA 1.261 58.447 57.345 -0.265 0.000 1.297 401 W CB -0.114 29.212 29.460 -0.222 0.000 1.140 401 W HN 0.457 nan 8.180 nan 0.000 0.507 402 G N 1.677 110.280 108.800 -0.329 0.000 2.314 402 G HA2 -0.287 3.674 3.960 0.002 0.000 0.292 402 G HA3 -0.287 3.674 3.960 0.002 0.000 0.292 402 G C -0.145 174.505 174.900 -0.417 0.000 1.059 402 G CA 0.538 45.390 45.100 -0.413 0.000 0.982 402 G HN 0.270 nan 8.290 nan 0.000 0.505 403 S N 0.108 115.591 115.700 -0.361 0.000 2.400 403 S HA 0.549 5.020 4.470 0.002 0.000 0.295 403 S C 1.141 175.645 174.600 -0.160 0.000 1.113 403 S CA -0.445 57.602 58.200 -0.254 0.000 1.064 403 S CB -0.222 62.946 63.200 -0.052 0.000 0.990 403 S HN 1.069 nan 8.310 nan 0.000 0.502 404 I N 2.651 123.138 120.570 -0.139 0.000 2.752 404 I HA 0.547 4.718 4.170 0.002 0.000 0.287 404 I C 1.286 177.396 176.117 -0.011 0.000 1.188 404 I CA 0.534 61.786 61.300 -0.079 0.000 1.427 404 I CB 0.075 38.026 38.000 -0.083 0.000 1.365 404 I HN 0.774 nan 8.210 nan 0.000 0.585 405 G N 4.062 112.864 108.800 0.003 0.000 2.254 405 G HA2 -0.391 3.570 3.960 0.002 0.000 0.225 405 G HA3 -0.391 3.570 3.960 0.002 0.000 0.225 405 G C 0.577 175.436 174.900 -0.068 0.000 1.003 405 G CA 0.533 45.671 45.100 0.064 0.000 0.622 405 G HN 0.992 nan 8.290 nan 0.000 0.507 406 Y N 2.806 122.786 120.300 -0.534 0.000 2.139 406 Y HA -0.234 4.318 4.550 0.003 0.000 0.282 406 Y C 2.997 178.680 175.900 -0.362 0.000 1.179 406 Y CA 3.713 61.225 58.100 -0.980 0.000 1.161 406 Y CB -0.564 37.408 38.460 -0.814 0.000 0.970 406 Y HN 0.566 nan 8.280 nan 0.000 0.511 407 T N -2.002 112.382 114.554 -0.285 0.000 2.962 407 T HA -0.197 4.154 4.350 0.002 0.000 0.270 407 T C 1.664 176.279 174.700 -0.140 0.000 1.088 407 T CA 1.040 62.979 62.100 -0.267 0.000 1.127 407 T CB -0.992 67.873 68.868 -0.005 0.000 0.883 407 T HN 0.417 nan 8.240 nan 0.000 0.493 408 F N 3.952 123.793 119.950 -0.182 0.000 2.074 408 F HA 0.214 4.742 4.527 0.003 0.000 0.293 408 F C -1.149 174.580 175.800 -0.120 0.000 1.116 408 F CA -0.011 57.937 58.000 -0.086 0.000 1.212 408 F CB -1.231 37.777 39.000 0.013 0.000 0.998 408 F HN 0.096 nan 8.300 nan 0.000 0.471 409 P HA -0.122 nan 4.420 nan 0.000 0.217 409 P C 1.587 178.628 177.300 -0.432 0.000 1.150 409 P CA 2.409 65.238 63.100 -0.452 0.000 0.832 409 P CB -0.419 31.144 31.700 -0.228 0.000 0.787 410 A N 0.292 122.807 122.820 -0.508 0.000 1.908 410 A HA -0.142 4.179 4.320 0.002 0.000 0.218 410 A C 2.367 179.773 177.584 -0.298 0.000 1.181 410 A CA 2.252 53.966 52.037 -0.538 0.000 0.627 410 A CB -1.647 16.645 19.000 -1.180 0.000 0.818 410 A HN 0.199 nan 8.150 nan 0.000 0.445 411 A N -0.232 122.452 122.820 -0.226 0.000 1.908 411 A HA -0.075 4.247 4.320 0.002 0.000 0.218 411 A C 2.172 179.650 177.584 -0.177 0.000 1.181 411 A CA 1.584 53.576 52.037 -0.074 0.000 0.627 411 A CB -0.608 18.407 19.000 0.025 0.000 0.818 411 A HN 0.496 nan 8.150 nan 0.000 0.445 412 L N -0.969 120.105 121.223 -0.248 0.000 2.056 412 L HA -0.089 4.252 4.340 0.002 0.000 0.207 412 L C 2.853 179.587 176.870 -0.227 0.000 1.078 412 L CA 1.077 55.761 54.840 -0.260 0.000 0.749 412 L CB -0.961 40.892 42.059 -0.343 0.000 0.901 412 L HN 0.484 nan 8.230 nan 0.000 0.433 413 G N -0.992 107.646 108.800 -0.271 0.000 2.418 413 G HA2 -0.288 3.674 3.960 0.002 0.000 0.217 413 G HA3 -0.288 3.674 3.960 0.002 0.000 0.217 413 G C 1.821 176.739 174.900 0.031 0.000 1.158 413 G CA 1.013 46.013 45.100 -0.166 0.000 0.771 413 G HN 0.333 nan 8.290 nan 0.000 0.545 414 S N -0.203 115.452 115.700 -0.075 0.000 2.368 414 S HA -0.170 4.301 4.470 0.002 0.000 0.225 414 S C 2.398 176.822 174.600 -0.293 0.000 1.030 414 S CA 2.003 60.175 58.200 -0.046 0.000 0.999 414 S CB -0.288 63.006 63.200 0.156 0.000 0.844 414 S HN 0.391 nan 8.310 nan 0.000 0.459 415 Q N 0.970 120.337 119.800 -0.721 0.000 2.124 415 Q HA 0.023 4.365 4.340 0.002 0.000 0.202 415 Q C 1.815 177.685 176.000 -0.217 0.000 0.977 415 Q CA 1.811 57.163 55.803 -0.752 0.000 0.850 415 Q CB -0.505 27.884 28.738 -0.582 0.000 0.901 415 Q HN 0.706 nan 8.270 nan 0.000 0.429 416 I N -0.035 120.492 120.570 -0.071 0.000 2.252 416 I HA -0.246 3.925 4.170 0.002 0.000 0.245 416 I C 2.181 178.353 176.117 0.092 0.000 1.102 416 I CA 0.947 62.300 61.300 0.089 0.000 1.385 416 I CB -0.468 37.694 38.000 0.269 0.000 1.064 416 I HN 0.281 nan 8.210 nan 0.000 0.414 417 A N -0.586 122.226 122.820 -0.014 0.000 1.902 417 A HA -0.212 4.109 4.320 0.002 0.000 0.217 417 A C 1.149 178.652 177.584 -0.135 0.000 1.181 417 A CA 1.730 53.583 52.037 -0.306 0.000 0.623 417 A CB -0.215 18.439 19.000 -0.577 0.000 0.818 417 A HN 0.394 nan 8.150 nan 0.000 0.443 418 D N -1.405 118.970 120.400 -0.042 0.000 2.375 418 D HA 0.225 4.866 4.640 0.002 0.000 0.259 418 D C 0.805 177.138 176.300 0.055 0.000 1.235 418 D CA -0.335 53.679 54.000 0.023 0.000 0.924 418 D CB 0.679 41.517 40.800 0.063 0.000 1.143 418 D HN 0.413 nan 8.370 nan 0.000 0.529 419 K N 1.549 121.969 120.400 0.033 0.000 2.442 419 K HA -0.022 4.300 4.320 0.002 0.000 0.198 419 K C 0.601 177.234 176.600 0.056 0.000 1.042 419 K CA 0.842 57.151 56.287 0.038 0.000 0.958 419 K CB 0.361 32.880 32.500 0.031 0.000 0.766 419 K HN 0.079 nan 8.250 nan 0.000 0.474 420 E N 0.966 121.200 120.200 0.056 0.000 2.478 420 E HA 0.008 4.359 4.350 0.002 0.000 0.194 420 E C -0.020 176.620 176.600 0.066 0.000 1.045 420 E CA 0.269 56.701 56.400 0.053 0.000 0.868 420 E CB 0.535 30.258 29.700 0.039 0.000 0.885 420 E HN 0.184 nan 8.360 nan 0.000 0.505 421 S N 1.188 116.949 115.700 0.102 0.000 2.448 421 S HA 0.334 4.805 4.470 0.002 0.000 0.320 421 S C -0.131 174.578 174.600 0.182 0.000 1.071 421 S CA -0.740 57.520 58.200 0.100 0.000 1.113 421 S CB 0.477 63.722 63.200 0.075 0.000 0.972 421 S HN -0.052 nan 8.310 nan 0.000 0.465 422 R N 3.556 124.123 120.500 0.112 0.000 2.421 422 R HA 0.182 4.523 4.340 0.002 0.000 0.305 422 R C -0.893 175.485 176.300 0.129 0.000 1.039 422 R CA 0.182 56.365 56.100 0.139 0.000 1.003 422 R CB -0.078 30.266 30.300 0.072 0.000 0.959 422 R HN 0.651 nan 8.270 nan 0.000 0.427 423 H N 3.894 122.979 119.070 0.026 0.000 2.527 423 H HA 0.292 4.850 4.556 0.004 0.000 0.321 423 H C -0.747 174.594 175.328 0.021 0.000 1.087 423 H CA -0.302 55.760 56.048 0.024 0.000 1.337 423 H CB 0.874 30.642 29.762 0.012 0.000 1.440 423 H HN 0.294 nan 8.280 nan 0.000 0.490 424 L N 4.143 125.419 121.223 0.089 0.000 2.298 424 L HA 0.249 4.590 4.340 0.002 0.000 0.284 424 L C -0.808 176.044 176.870 -0.030 0.000 1.013 424 L CA -0.420 54.446 54.840 0.044 0.000 0.824 424 L CB 1.098 43.249 42.059 0.152 0.000 1.221 424 L HN 0.432 nan 8.230 nan 0.000 0.418 425 L N 4.255 125.403 121.223 -0.126 0.000 2.282 425 L HA 0.619 4.960 4.340 0.002 0.000 0.288 425 L C -1.265 175.427 176.870 -0.296 0.000 1.033 425 L CA 0.228 55.010 54.840 -0.096 0.000 0.807 425 L CB 0.624 42.684 42.059 0.002 0.000 1.209 425 L HN 0.284 nan 8.230 nan 0.000 0.423 426 F N 6.752 126.796 119.950 0.157 0.000 2.382 426 F HA 0.555 5.084 4.527 0.003 0.000 0.361 426 F C -0.046 175.808 175.800 0.091 0.000 1.109 426 F CA -0.372 57.736 58.000 0.181 0.000 1.031 426 F CB 1.279 40.446 39.000 0.280 0.000 1.234 426 F HN 0.354 nan 8.300 nan 0.000 0.445 427 I N 1.793 122.442 120.570 0.133 0.000 2.647 427 I HA 0.741 4.912 4.170 0.002 0.000 0.295 427 I C 0.093 176.198 176.117 -0.020 0.000 1.078 427 I CA -0.558 60.764 61.300 0.038 0.000 1.048 427 I CB 1.717 39.691 38.000 -0.043 0.000 1.239 427 I HN 0.605 nan 8.210 nan 0.000 0.421 428 G N 3.624 112.419 108.800 -0.009 0.000 2.539 428 G HA2 0.131 4.092 3.960 0.002 0.000 0.258 428 G HA3 0.131 4.092 3.960 0.002 0.000 0.258 428 G C 0.562 175.354 174.900 -0.180 0.000 1.202 428 G CA 0.092 45.160 45.100 -0.053 0.000 0.851 428 G HN 0.804 nan 8.290 nan 0.000 0.556 429 D N 0.769 120.994 120.400 -0.292 0.000 2.133 429 D HA -0.144 4.497 4.640 0.002 0.000 0.195 429 D C 2.220 178.340 176.300 -0.300 0.000 0.997 429 D CA 1.626 55.324 54.000 -0.503 0.000 0.840 429 D CB -1.003 39.446 40.800 -0.585 0.000 0.947 429 D HN 0.485 nan 8.370 nan 0.000 0.452 430 G N -0.135 108.586 108.800 -0.130 0.000 2.422 430 G HA2 -0.228 3.734 3.960 0.002 0.000 0.218 430 G HA3 -0.228 3.734 3.960 0.002 0.000 0.218 430 G C 1.836 176.802 174.900 0.110 0.000 1.146 430 G CA 1.087 46.215 45.100 0.048 0.000 0.769 430 G HN 0.384 nan 8.290 nan 0.000 0.547 431 S N 0.156 115.885 115.700 0.049 0.000 2.377 431 S HA -0.033 4.438 4.470 0.002 0.000 0.223 431 S C 2.123 176.738 174.600 0.025 0.000 1.030 431 S CA 0.778 59.000 58.200 0.038 0.000 0.970 431 S CB -0.243 62.970 63.200 0.021 0.000 0.830 431 S HN 0.241 nan 8.310 nan 0.000 0.473 432 L N 2.358 123.552 121.223 -0.049 0.000 2.081 432 L HA -0.145 4.196 4.340 0.002 0.000 0.212 432 L C 2.098 179.002 176.870 0.057 0.000 1.080 432 L CA 1.769 56.588 54.840 -0.036 0.000 0.754 432 L CB -0.719 41.255 42.059 -0.142 0.000 0.893 432 L HN 0.292 nan 8.230 nan 0.000 0.433 433 Q N -1.056 118.702 119.800 -0.070 0.000 2.364 433 Q HA -0.176 4.165 4.340 0.002 0.000 0.209 433 Q C 2.041 178.170 176.000 0.214 0.000 0.977 433 Q CA 1.267 57.040 55.803 -0.051 0.000 0.885 433 Q CB -0.158 28.358 28.738 -0.370 0.000 0.941 433 Q HN 0.482 nan 8.270 nan 0.000 0.464 434 L N -0.509 120.821 121.223 0.178 0.000 2.240 434 L HA -0.058 4.283 4.340 0.002 0.000 0.211 434 L C 1.883 178.906 176.870 0.255 0.000 1.106 434 L CA 1.500 56.465 54.840 0.209 0.000 0.793 434 L CB 0.146 42.314 42.059 0.181 0.000 0.927 434 L HN 0.227 nan 8.230 nan 0.000 0.446 435 T N -6.564 108.168 114.554 0.295 0.000 3.332 435 T HA 0.107 4.459 4.350 0.002 0.000 0.304 435 T C 1.209 176.177 174.700 0.446 0.000 0.971 435 T CA 0.203 62.508 62.100 0.342 0.000 0.954 435 T CB -0.205 68.886 68.868 0.371 0.000 1.175 435 T HN -0.116 nan 8.240 nan 0.000 0.519 436 V N 2.673 122.832 119.914 0.408 0.000 2.568 436 V HA -0.215 3.907 4.120 0.002 0.000 0.253 436 V C 2.670 178.965 176.094 0.335 0.000 1.072 436 V CA 2.503 65.022 62.300 0.366 0.000 1.084 436 V CB -0.448 31.615 31.823 0.400 0.000 0.676 436 V HN 0.741 nan 8.190 nan 0.000 0.469 437 Q N -0.867 119.145 119.800 0.354 0.000 2.439 437 Q HA -0.185 4.157 4.340 0.002 0.000 0.211 437 Q C 1.410 177.572 176.000 0.269 0.000 0.978 437 Q CA 1.282 57.309 55.803 0.374 0.000 0.897 437 Q CB -0.522 28.382 28.738 0.276 0.000 0.956 437 Q HN 0.590 nan 8.270 nan 0.000 0.483 438 E N 0.865 121.185 120.200 0.200 0.000 2.511 438 E HA -0.022 4.329 4.350 0.002 0.000 0.196 438 E C 1.734 178.336 176.600 0.003 0.000 1.066 438 E CA -0.024 56.370 56.400 -0.010 0.000 0.871 438 E CB -0.196 29.332 29.700 -0.286 0.000 0.863 438 E HN 0.223 nan 8.360 nan 0.000 0.520 439 L N 0.918 122.265 121.223 0.206 0.000 2.081 439 L HA -0.115 4.226 4.340 0.002 0.000 0.212 439 L C 2.052 178.950 176.870 0.046 0.000 1.080 439 L CA 2.078 56.956 54.840 0.065 0.000 0.754 439 L CB -1.013 40.808 42.059 -0.397 0.000 0.893 439 L HN 0.179 nan 8.230 nan 0.000 0.433 440 G N -0.730 108.173 108.800 0.172 0.000 2.446 440 G HA2 -0.311 3.650 3.960 0.002 0.000 0.217 440 G HA3 -0.311 3.650 3.960 0.002 0.000 0.217 440 G C 1.702 176.627 174.900 0.041 0.000 1.168 440 G CA 0.966 46.147 45.100 0.134 0.000 0.771 440 G HN 0.470 nan 8.290 nan 0.000 0.551 441 L N 1.382 122.611 121.223 0.011 0.000 2.042 441 L HA -0.141 4.200 4.340 0.002 0.000 0.210 441 L C 3.197 180.045 176.870 -0.037 0.000 1.076 441 L CA 2.365 57.188 54.840 -0.030 0.000 0.749 441 L CB -0.367 41.650 42.059 -0.070 0.000 0.893 441 L HN 0.403 nan 8.230 nan 0.000 0.432 442 S N -0.201 115.471 115.700 -0.047 0.000 2.399 442 S HA -0.207 4.264 4.470 0.002 0.000 0.231 442 S C 1.857 176.445 174.600 -0.019 0.000 1.022 442 S CA 1.517 59.696 58.200 -0.035 0.000 0.983 442 S CB -0.862 62.334 63.200 -0.005 0.000 0.803 442 S HN 0.548 nan 8.310 nan 0.000 0.480 443 I N 1.401 121.960 120.570 -0.019 0.000 2.193 443 I HA -0.045 4.126 4.170 0.002 0.000 0.240 443 I C 3.053 179.163 176.117 -0.012 0.000 1.084 443 I CA 1.263 62.551 61.300 -0.020 0.000 1.365 443 I CB -0.345 37.644 38.000 -0.018 0.000 1.064 443 I HN 0.270 nan 8.210 nan 0.000 0.410 444 R N 1.029 121.524 120.500 -0.007 0.000 2.091 444 R HA -0.179 4.163 4.340 0.002 0.000 0.238 444 R C 1.789 178.085 176.300 -0.007 0.000 1.136 444 R CA 1.476 57.572 56.100 -0.006 0.000 0.959 444 R CB -0.011 30.288 30.300 -0.003 0.000 0.856 444 R HN 0.277 nan 8.270 nan 0.000 0.437 445 E N 0.719 120.913 120.200 -0.010 0.000 2.481 445 E HA -0.047 4.304 4.350 0.002 0.000 0.195 445 E C -0.066 176.533 176.600 -0.002 0.000 1.047 445 E CA 0.293 56.689 56.400 -0.007 0.000 0.867 445 E CB 0.187 29.882 29.700 -0.008 0.000 0.858 445 E HN 0.278 nan 8.360 nan 0.000 0.513 446 K N 0.670 121.068 120.400 -0.004 0.000 3.096 446 K HA -0.177 4.144 4.320 0.002 0.000 0.266 446 K C -0.260 176.344 176.600 0.007 0.000 1.043 446 K CA 0.176 56.463 56.287 0.000 0.000 0.758 446 K CB -1.925 30.576 32.500 0.002 0.000 1.260 446 K HN 0.161 nan 8.250 nan 0.000 0.481 447 L N 0.606 121.831 121.223 0.005 0.000 2.417 447 L HA 0.145 4.486 4.340 0.002 0.000 0.268 447 L C 1.063 177.951 176.870 0.029 0.000 1.158 447 L CA -0.359 54.486 54.840 0.009 0.000 0.819 447 L CB 0.433 42.487 42.059 -0.009 0.000 1.112 447 L HN 0.164 nan 8.230 nan 0.000 0.458 448 N N 1.865 120.591 118.700 0.042 0.000 2.541 448 N HA 0.229 4.970 4.740 0.002 0.000 0.297 448 N C -2.472 173.095 175.510 0.095 0.000 1.503 448 N CA -0.957 52.137 53.050 0.074 0.000 0.919 448 N CB 0.417 38.949 38.487 0.075 0.000 1.305 448 N HN 0.386 nan 8.380 nan 0.000 0.501 449 P HA 0.247 nan 4.420 nan 0.000 0.274 449 P C -0.034 177.319 177.300 0.089 0.000 1.256 449 P CA -0.264 62.896 63.100 0.100 0.000 0.795 449 P CB 1.507 33.268 31.700 0.102 0.000 1.038 450 I N 0.760 121.341 120.570 0.018 0.000 2.328 450 I HA 0.231 4.402 4.170 0.002 0.000 0.287 450 I C -0.145 175.793 176.117 -0.298 0.000 1.012 450 I CA -0.558 60.660 61.300 -0.136 0.000 1.195 450 I CB 0.586 38.477 38.000 -0.182 0.000 1.350 450 I HN 0.131 nan 8.210 nan 0.000 0.464 451 C N 6.440 125.517 119.300 -0.371 0.000 2.303 451 C HA 0.550 5.011 4.460 0.002 0.000 0.326 451 C C -0.197 174.324 174.990 -0.783 0.000 1.285 451 C CA -0.671 58.078 59.018 -0.449 0.000 1.675 451 C CB -0.258 27.298 27.740 -0.307 0.000 2.289 451 C HN 0.469 nan 8.230 nan 0.000 0.512 452 F N 3.278 122.933 119.950 -0.492 0.000 2.444 452 F HA 0.602 5.131 4.527 0.003 0.000 0.342 452 F C 0.085 175.660 175.800 -0.375 0.000 1.121 452 F CA -0.685 57.085 58.000 -0.383 0.000 0.997 452 F CB 0.818 39.661 39.000 -0.261 0.000 1.130 452 F HN 0.295 nan 8.300 nan 0.000 0.454 453 I N 4.665 125.068 120.570 -0.278 0.000 2.330 453 I HA 0.278 4.449 4.170 0.002 0.000 0.289 453 I C -0.180 175.816 176.117 -0.201 0.000 1.001 453 I CA -0.267 60.826 61.300 -0.345 0.000 1.193 453 I CB 1.132 38.794 38.000 -0.563 0.000 1.345 453 I HN 0.433 nan 8.210 nan 0.000 0.461 454 I N 5.821 126.309 120.570 -0.137 0.000 2.278 454 I HA 0.108 4.279 4.170 0.002 0.000 0.296 454 I C 0.392 176.407 176.117 -0.170 0.000 1.121 454 I CA -0.240 61.010 61.300 -0.083 0.000 1.267 454 I CB -0.087 37.924 38.000 0.019 0.000 1.447 454 I HN 0.528 nan 8.210 nan 0.000 0.509 455 N N 6.359 124.958 118.700 -0.168 0.000 2.448 455 N HA 0.022 4.763 4.740 0.002 0.000 0.250 455 N C 0.090 175.568 175.510 -0.053 0.000 1.136 455 N CA -0.168 52.797 53.050 -0.141 0.000 0.953 455 N CB 0.182 38.656 38.487 -0.021 0.000 1.251 455 N HN 0.510 nan 8.380 nan 0.000 0.502 456 N N 1.715 120.381 118.700 -0.057 0.000 2.338 456 N HA 0.105 4.846 4.740 0.002 0.000 0.251 456 N C -0.526 174.966 175.510 -0.030 0.000 1.199 456 N CA -0.467 52.566 53.050 -0.027 0.000 0.879 456 N CB 0.065 38.544 38.487 -0.013 0.000 1.159 456 N HN 0.284 nan 8.380 nan 0.000 0.514 457 D N -0.759 119.623 120.400 -0.031 0.000 2.699 457 D HA -0.076 4.565 4.640 0.002 0.000 0.239 457 D C 0.465 176.714 176.300 -0.086 0.000 1.136 457 D CA 1.873 55.851 54.000 -0.037 0.000 0.668 457 D CB -1.216 39.573 40.800 -0.019 0.000 1.060 457 D HN 0.897 nan 8.370 nan 0.000 0.429 458 G N -0.726 107.993 108.800 -0.136 0.000 2.298 458 G HA2 0.039 4.000 3.960 0.002 0.000 0.309 458 G HA3 0.039 4.000 3.960 0.002 0.000 0.309 458 G C -1.205 173.615 174.900 -0.133 0.000 1.279 458 G CA -0.449 44.505 45.100 -0.243 0.000 1.042 458 G HN 0.171 nan 8.290 nan 0.000 0.480 459 Y N 1.976 122.271 120.300 -0.010 0.000 2.714 459 Y HA 0.466 5.017 4.550 0.001 0.000 0.333 459 Y C 2.131 178.037 175.900 0.011 0.000 1.220 459 Y CA 0.186 58.286 58.100 0.001 0.000 1.513 459 Y CB 0.290 38.760 38.460 0.018 0.000 1.435 459 Y HN 0.492 nan 8.280 nan 0.000 0.489 460 T N 0.180 114.819 114.554 0.142 0.000 2.746 460 T HA -0.189 4.162 4.350 0.002 0.000 0.267 460 T C 2.213 176.968 174.700 0.093 0.000 1.039 460 T CA 1.596 63.751 62.100 0.092 0.000 1.142 460 T CB -0.208 68.701 68.868 0.068 0.000 0.866 460 T HN 0.526 nan 8.240 nan 0.000 0.444 461 V N 1.762 121.739 119.914 0.106 0.000 2.324 461 V HA -0.200 3.921 4.120 0.002 0.000 0.250 461 V C 2.373 178.501 176.094 0.057 0.000 1.060 461 V CA 1.924 64.274 62.300 0.083 0.000 1.042 461 V CB -0.398 31.492 31.823 0.112 0.000 0.650 461 V HN 0.477 nan 8.190 nan 0.000 0.450 462 E N -0.135 120.105 120.200 0.067 0.000 2.106 462 E HA -0.198 4.153 4.350 0.002 0.000 0.192 462 E C 2.348 179.015 176.600 0.112 0.000 0.984 462 E CA 1.248 57.690 56.400 0.070 0.000 0.806 462 E CB -0.278 29.471 29.700 0.081 0.000 0.750 462 E HN 0.647 nan 8.360 nan 0.000 0.458 463 R N 0.821 121.384 120.500 0.106 0.000 2.105 463 R HA -0.119 4.222 4.340 0.002 0.000 0.239 463 R C 2.095 178.422 176.300 0.044 0.000 1.135 463 R CA 0.945 57.084 56.100 0.064 0.000 0.967 463 R CB -0.089 30.234 30.300 0.038 0.000 0.861 463 R HN 0.113 nan 8.270 nan 0.000 0.442 464 E N 0.457 120.685 120.200 0.046 0.000 2.268 464 E HA -0.107 4.244 4.350 0.002 0.000 0.195 464 E C 1.949 178.578 176.600 0.049 0.000 0.995 464 E CA 0.910 57.328 56.400 0.030 0.000 0.836 464 E CB 0.061 29.770 29.700 0.016 0.000 0.763 464 E HN 0.437 nan 8.360 nan 0.000 0.491 465 I N -1.220 119.399 120.570 0.081 0.000 2.385 465 I HA -0.065 4.106 4.170 0.002 0.000 0.244 465 I C 0.722 176.944 176.117 0.174 0.000 1.089 465 I CA 0.583 61.954 61.300 0.119 0.000 1.410 465 I CB 0.238 38.295 38.000 0.094 0.000 1.117 465 I HN -0.010 nan 8.210 nan 0.000 0.429 466 H N -0.670 118.435 119.070 0.058 0.000 3.129 466 H HA 0.440 4.997 4.556 0.002 0.000 0.342 466 H C -0.126 175.275 175.328 0.121 0.000 1.092 466 H CA -0.204 55.892 56.048 0.079 0.000 1.310 466 H CB 1.458 31.267 29.762 0.078 0.000 1.932 466 H HN 0.222 nan 8.280 nan 0.000 0.507 467 G N 5.425 114.029 108.800 -0.327 0.000 2.368 467 G HA2 -0.198 3.763 3.960 0.002 0.000 0.290 467 G HA3 -0.198 3.763 3.960 0.002 0.000 0.290 467 G C -1.690 173.132 174.900 -0.131 0.000 1.098 467 G CA -0.055 44.927 45.100 -0.196 0.000 1.073 467 G HN 0.581 nan 8.290 nan 0.000 0.511 468 P HA -0.126 nan 4.420 nan 0.000 0.218 468 P C 1.545 178.790 177.300 -0.092 0.000 1.148 468 P CA 2.214 65.272 63.100 -0.069 0.000 0.822 468 P CB -0.035 31.632 31.700 -0.056 0.000 0.784 469 T N -5.213 109.268 114.554 -0.121 0.000 3.129 469 T HA 0.173 4.524 4.350 0.002 0.000 0.267 469 T C 0.703 175.296 174.700 -0.179 0.000 1.018 469 T CA -0.439 61.588 62.100 -0.122 0.000 0.903 469 T CB -0.221 68.595 68.868 -0.087 0.000 1.067 469 T HN -0.092 nan 8.240 nan 0.000 0.549 470 Q N 1.930 121.553 119.800 -0.296 0.000 2.327 470 Q HA 0.262 4.603 4.340 0.002 0.000 0.254 470 Q C 1.433 177.134 176.000 -0.498 0.000 0.952 470 Q CA 0.247 55.762 55.803 -0.480 0.000 0.884 470 Q CB 1.745 29.930 28.738 -0.921 0.000 1.224 470 Q HN 0.546 nan 8.270 nan 0.000 0.422 471 S N 1.475 116.973 115.700 -0.336 0.000 2.447 471 S HA -0.180 4.291 4.470 0.002 0.000 0.233 471 S C 1.560 176.105 174.600 -0.092 0.000 1.006 471 S CA 1.212 59.316 58.200 -0.161 0.000 0.957 471 S CB -0.483 62.682 63.200 -0.057 0.000 0.773 471 S HN 0.689 nan 8.310 nan 0.000 0.507 472 Y N 1.312 121.644 120.300 0.053 0.000 2.571 472 Y HA 0.352 4.903 4.550 0.002 0.000 0.294 472 Y C 1.553 177.542 175.900 0.148 0.000 1.141 472 Y CA 0.093 58.246 58.100 0.088 0.000 1.308 472 Y CB -1.092 37.421 38.460 0.088 0.000 1.002 472 Y HN 0.150 nan 8.280 nan 0.000 0.551 473 N N 0.326 119.072 118.700 0.077 0.000 2.398 473 N HA -0.035 4.706 4.740 0.002 0.000 0.188 473 N C -0.635 174.844 175.510 -0.051 0.000 1.122 473 N CA 0.406 53.560 53.050 0.174 0.000 0.866 473 N CB -0.092 38.444 38.487 0.082 0.000 0.970 473 N HN 0.428 nan 8.380 nan 0.000 0.462 474 D N 0.793 121.134 120.400 -0.097 0.000 2.264 474 D HA 0.268 4.909 4.640 0.002 0.000 0.249 474 D C 0.713 176.876 176.300 -0.229 0.000 1.070 474 D CA -0.198 53.709 54.000 -0.155 0.000 0.912 474 D CB 1.876 42.622 40.800 -0.090 0.000 1.193 474 D HN 0.136 nan 8.370 nan 0.000 0.427 475 I N -2.319 118.091 120.570 -0.266 0.000 2.934 475 I HA 0.548 4.719 4.170 0.002 0.000 0.306 475 I C -2.720 173.325 176.117 -0.120 0.000 1.110 475 I CA -2.575 58.578 61.300 -0.245 0.000 1.019 475 I CB 1.839 39.587 38.000 -0.419 0.000 1.227 475 I HN -0.058 nan 8.210 nan 0.000 0.434 476 P HA 0.207 nan 4.420 nan 0.000 0.267 476 P C -0.688 176.613 177.300 0.002 0.000 1.209 476 P CA -0.043 63.079 63.100 0.035 0.000 0.763 476 P CB 0.498 32.296 31.700 0.162 0.000 0.816 477 M N 4.302 123.926 119.600 0.040 0.000 2.156 477 M HA 0.201 4.682 4.480 0.002 0.000 0.345 477 M C -0.753 175.577 176.300 0.050 0.000 1.398 477 M CA -0.320 54.995 55.300 0.025 0.000 1.148 477 M CB 0.189 32.819 32.600 0.048 0.000 1.663 477 M HN 0.251 nan 8.290 nan 0.000 0.464 478 W N 2.962 123.978 121.300 -0.473 0.000 2.183 478 W HA 0.247 4.908 4.660 0.002 0.000 0.348 478 W C 0.274 176.351 176.519 -0.736 0.000 1.257 478 W CA -0.799 56.167 57.345 -0.631 0.000 1.324 478 W CB -0.044 28.969 29.460 -0.745 0.000 1.144 478 W HN 0.515 nan 8.180 nan 0.000 0.622 479 N N 2.178 120.779 118.700 -0.165 0.000 2.968 479 N HA 0.004 4.746 4.740 0.002 0.000 0.271 479 N C 0.650 176.157 175.510 -0.005 0.000 1.174 479 N CA -0.055 52.947 53.050 -0.080 0.000 1.096 479 N CB -0.231 38.248 38.487 -0.013 0.000 1.403 479 N HN 0.301 nan 8.380 nan 0.000 0.522 480 Y N 0.933 121.375 120.300 0.238 0.000 2.165 480 Y HA -0.256 4.294 4.550 0.001 0.000 0.286 480 Y C 2.656 178.774 175.900 0.364 0.000 1.155 480 Y CA 1.293 59.574 58.100 0.301 0.000 1.164 480 Y CB -0.443 38.127 38.460 0.183 0.000 0.978 480 Y HN 0.427 nan 8.280 nan 0.000 0.513 481 S N -0.329 115.598 115.700 0.378 0.000 2.442 481 S HA -0.136 4.336 4.470 0.002 0.000 0.236 481 S C 1.580 176.327 174.600 0.246 0.000 1.007 481 S CA 0.945 59.351 58.200 0.343 0.000 0.965 481 S CB -0.190 63.133 63.200 0.204 0.000 0.773 481 S HN 0.248 nan 8.310 nan 0.000 0.504 482 K N 1.069 121.562 120.400 0.156 0.000 2.444 482 K HA 0.360 4.681 4.320 0.002 0.000 0.193 482 K C 1.647 178.256 176.600 0.016 0.000 1.024 482 K CA 0.012 56.337 56.287 0.064 0.000 1.077 482 K CB -0.518 32.006 32.500 0.041 0.000 0.833 482 K HN 0.424 nan 8.250 nan 0.000 0.517 483 L N 1.105 122.328 121.223 -0.001 0.000 2.017 483 L HA -0.148 4.193 4.340 0.002 0.000 0.208 483 L C -0.701 176.001 176.870 -0.280 0.000 1.073 483 L CA 1.566 56.319 54.840 -0.146 0.000 0.745 483 L CB -1.451 40.465 42.059 -0.239 0.000 0.894 483 L HN 0.061 nan 8.230 nan 0.000 0.432 484 P HA -0.238 nan 4.420 nan 0.000 0.215 484 P C 1.383 178.606 177.300 -0.127 0.000 1.157 484 P CA 1.472 64.330 63.100 -0.402 0.000 0.874 484 P CB 0.031 31.459 31.700 -0.453 0.000 0.790 485 E N -0.935 119.213 120.200 -0.086 0.000 2.058 485 E HA -0.181 4.170 4.350 0.002 0.000 0.194 485 E C 1.554 178.156 176.600 0.003 0.000 0.997 485 E CA 1.837 58.216 56.400 -0.035 0.000 0.801 485 E CB -0.515 29.169 29.700 -0.028 0.000 0.746 485 E HN 0.115 nan 8.360 nan 0.000 0.450 486 T N -0.034 114.549 114.554 0.048 0.000 2.915 486 T HA -0.097 4.254 4.350 0.002 0.000 0.269 486 T C 0.863 175.588 174.700 0.042 0.000 1.071 486 T CA 0.816 62.948 62.100 0.054 0.000 1.132 486 T CB -0.200 68.720 68.868 0.086 0.000 0.878 486 T HN 0.147 nan 8.240 nan 0.000 0.479 487 F N 0.670 120.542 119.950 -0.131 0.000 2.773 487 F HA 0.399 4.926 4.527 -0.001 0.000 0.304 487 F C 1.851 177.591 175.800 -0.100 0.000 1.129 487 F CA -0.287 57.643 58.000 -0.117 0.000 1.378 487 F CB -0.227 38.689 39.000 -0.140 0.000 1.095 487 F HN 0.278 nan 8.300 nan 0.000 0.565 488 G N -0.315 108.504 108.800 0.032 0.000 2.184 488 G HA2 -0.067 3.894 3.960 0.002 0.000 0.206 488 G HA3 -0.067 3.894 3.960 0.002 0.000 0.206 488 G C 0.366 175.256 174.900 -0.018 0.000 0.995 488 G CA -0.281 44.813 45.100 -0.010 0.000 0.651 488 G HN 0.575 nan 8.290 nan 0.000 0.511 489 A N 0.662 123.466 122.820 -0.027 0.000 2.425 489 A HA 0.743 5.064 4.320 0.002 0.000 0.249 489 A C 0.908 178.461 177.584 -0.050 0.000 1.084 489 A CA 1.180 53.185 52.037 -0.052 0.000 0.781 489 A CB 0.317 19.261 19.000 -0.094 0.000 1.019 489 A HN 1.686 nan 8.150 nan 0.000 0.490 490 T N -0.632 113.893 114.554 -0.048 0.000 2.948 490 T HA 0.441 4.792 4.350 0.002 0.000 0.285 490 T C 0.589 175.255 174.700 -0.057 0.000 1.019 490 T CA -0.408 61.665 62.100 -0.045 0.000 1.013 490 T CB 1.166 70.013 68.868 -0.034 0.000 1.117 490 T HN 0.624 nan 8.240 nan 0.000 0.533 491 E N 0.419 120.588 120.200 -0.052 0.000 2.338 491 E HA -0.121 4.230 4.350 0.002 0.000 0.197 491 E C 1.342 177.901 176.600 -0.068 0.000 1.007 491 E CA 1.039 57.401 56.400 -0.064 0.000 0.849 491 E CB 0.020 29.692 29.700 -0.047 0.000 0.774 491 E HN 0.760 nan 8.360 nan 0.000 0.506 492 D N 0.059 120.429 120.400 -0.050 0.000 2.349 492 D HA -0.100 4.541 4.640 0.002 0.000 0.224 492 D C 1.750 178.022 176.300 -0.046 0.000 1.029 492 D CA 0.366 54.342 54.000 -0.041 0.000 0.879 492 D CB 0.214 40.999 40.800 -0.024 0.000 0.906 492 D HN 0.015 nan 8.370 nan 0.000 0.528 493 R N 0.238 120.701 120.500 -0.061 0.000 2.144 493 R HA 0.224 4.565 4.340 0.002 0.000 0.195 493 R C -0.151 176.093 176.300 -0.093 0.000 1.077 493 R CA 0.582 56.647 56.100 -0.059 0.000 1.120 493 R CB 0.454 30.725 30.300 -0.049 0.000 1.060 493 R HN -0.045 nan 8.270 nan 0.000 0.520 494 V N 1.734 121.574 119.914 -0.123 0.000 2.540 494 V HA 0.452 4.574 4.120 0.002 0.000 0.302 494 V C -0.929 175.029 176.094 -0.227 0.000 1.035 494 V CA -1.055 61.143 62.300 -0.169 0.000 0.873 494 V CB 1.968 33.708 31.823 -0.138 0.000 0.992 494 V HN -0.068 nan 8.190 nan 0.000 0.428 495 V N 3.610 123.277 119.914 -0.412 0.000 2.370 495 V HA 0.459 4.580 4.120 0.002 0.000 0.279 495 V C 0.279 176.242 176.094 -0.218 0.000 1.029 495 V CA -0.072 61.980 62.300 -0.413 0.000 0.870 495 V CB 1.545 32.886 31.823 -0.803 0.000 0.984 495 V HN 0.923 nan 8.190 nan 0.000 0.451 496 S N 5.440 121.105 115.700 -0.058 0.000 2.509 496 S HA 0.715 5.186 4.470 0.002 0.000 0.297 496 S C -0.450 174.191 174.600 0.068 0.000 1.118 496 S CA -0.925 57.319 58.200 0.073 0.000 1.074 496 S CB 1.389 64.654 63.200 0.108 0.000 1.038 496 S HN 0.622 nan 8.310 nan 0.000 0.498 497 K N 1.676 122.131 120.400 0.092 0.000 2.512 497 K HA 0.560 4.881 4.320 0.002 0.000 0.263 497 K C -1.207 175.443 176.600 0.083 0.000 0.966 497 K CA -0.492 55.842 56.287 0.078 0.000 0.851 497 K CB 2.116 34.661 32.500 0.075 0.000 1.395 497 K HN 0.519 nan 8.250 nan 0.000 0.440 498 I N 1.575 122.194 120.570 0.082 0.000 2.406 498 I HA 0.333 4.504 4.170 0.002 0.000 0.290 498 I C -0.604 175.566 176.117 0.087 0.000 0.999 498 I CA -1.187 60.164 61.300 0.085 0.000 1.124 498 I CB 2.008 40.058 38.000 0.084 0.000 1.289 498 I HN 0.031 nan 8.210 nan 0.000 0.441 499 V N 7.148 127.123 119.914 0.102 0.000 2.487 499 V HA 0.438 4.559 4.120 0.002 0.000 0.298 499 V C 0.541 176.694 176.094 0.098 0.000 1.028 499 V CA -0.386 61.987 62.300 0.122 0.000 0.860 499 V CB 1.881 33.824 31.823 0.200 0.000 0.991 499 V HN 0.760 nan 8.190 nan 0.000 0.427 500 R N 1.467 122.016 120.500 0.082 0.000 2.342 500 R HA 0.190 4.531 4.340 0.002 0.000 0.204 500 R C 0.695 177.023 176.300 0.047 0.000 0.882 500 R CA 0.524 56.657 56.100 0.054 0.000 1.041 500 R CB 0.968 31.295 30.300 0.045 0.000 1.188 500 R HN 0.788 nan 8.270 nan 0.000 0.598 501 T N -2.368 112.228 114.554 0.070 0.000 2.940 501 T HA 0.285 4.636 4.350 0.002 0.000 0.288 501 T C 0.765 175.532 174.700 0.113 0.000 1.045 501 T CA -0.838 61.303 62.100 0.068 0.000 1.018 501 T CB 2.475 71.381 68.868 0.063 0.000 1.151 501 T HN -0.050 nan 8.240 nan 0.000 0.529 502 E N 0.553 120.822 120.200 0.115 0.000 2.077 502 E HA -0.159 4.193 4.350 0.002 0.000 0.193 502 E C 1.864 178.615 176.600 0.252 0.000 0.989 502 E CA 0.974 57.498 56.400 0.207 0.000 0.800 502 E CB -0.125 29.713 29.700 0.230 0.000 0.746 502 E HN 0.516 nan 8.360 nan 0.000 0.452 503 N N 1.204 120.000 118.700 0.160 0.000 2.069 503 N HA -0.183 4.558 4.740 0.002 0.000 0.191 503 N C 1.639 177.228 175.510 0.133 0.000 1.031 503 N CA 1.189 54.318 53.050 0.132 0.000 0.852 503 N CB -0.199 38.335 38.487 0.079 0.000 1.018 503 N HN 0.281 nan 8.380 nan 0.000 0.423 504 E N -0.330 119.948 120.200 0.129 0.000 2.077 504 E HA -0.168 4.183 4.350 0.002 0.000 0.193 504 E C 1.698 178.384 176.600 0.142 0.000 0.989 504 E CA 0.698 57.169 56.400 0.118 0.000 0.800 504 E CB -0.222 29.544 29.700 0.111 0.000 0.746 504 E HN 0.298 nan 8.360 nan 0.000 0.452 505 F N 1.049 121.033 119.950 0.056 0.000 2.102 505 F HA -0.224 4.304 4.527 0.002 0.000 0.298 505 F C 2.106 177.938 175.800 0.053 0.000 1.105 505 F CA 1.122 59.151 58.000 0.047 0.000 1.239 505 F CB -0.258 38.728 39.000 -0.023 0.000 0.991 505 F HN -0.199 nan 8.300 nan 0.000 0.474 506 V N -0.662 119.329 119.914 0.127 0.000 2.343 506 V HA -0.301 3.820 4.120 0.002 0.000 0.247 506 V C 2.652 178.719 176.094 -0.044 0.000 1.051 506 V CA 2.017 64.342 62.300 0.042 0.000 1.036 506 V CB -1.044 30.898 31.823 0.199 0.000 0.654 506 V HN 0.516 nan 8.190 nan 0.000 0.451 507 S N -0.314 115.385 115.700 -0.001 0.000 2.353 507 S HA -0.179 4.292 4.470 0.002 0.000 0.222 507 S C 1.968 176.535 174.600 -0.055 0.000 1.035 507 S CA 2.074 60.268 58.200 -0.010 0.000 1.025 507 S CB -0.218 62.996 63.200 0.023 0.000 0.902 507 S HN 0.335 nan 8.310 nan 0.000 0.440 508 V N 1.873 121.741 119.914 -0.076 0.000 2.358 508 V HA -0.130 3.991 4.120 0.002 0.000 0.246 508 V C 2.497 178.470 176.094 -0.202 0.000 1.047 508 V CA 2.037 64.281 62.300 -0.094 0.000 1.035 508 V CB -0.740 31.055 31.823 -0.046 0.000 0.658 508 V HN 0.565 nan 8.190 nan 0.000 0.452 509 M N 0.580 120.002 119.600 -0.295 0.000 2.080 509 M HA -0.182 4.299 4.480 0.002 0.000 0.260 509 M C 2.039 178.218 176.300 -0.202 0.000 1.068 509 M CA 1.928 57.056 55.300 -0.288 0.000 1.109 509 M CB -0.608 31.702 32.600 -0.482 0.000 1.342 509 M HN 0.153 nan 8.290 nan 0.000 0.405 510 K N -0.380 119.927 120.400 -0.154 0.000 2.025 510 K HA -0.192 4.129 4.320 0.002 0.000 0.207 510 K C 2.137 178.659 176.600 -0.130 0.000 1.049 510 K CA 1.726 57.950 56.287 -0.105 0.000 0.933 510 K CB -0.415 32.052 32.500 -0.054 0.000 0.714 510 K HN 0.574 nan 8.250 nan 0.000 0.438 511 E N 0.870 120.986 120.200 -0.139 0.000 2.058 511 E HA -0.243 4.108 4.350 0.002 0.000 0.194 511 E C 1.959 178.352 176.600 -0.345 0.000 0.997 511 E CA 1.286 57.601 56.400 -0.142 0.000 0.801 511 E CB -0.054 29.611 29.700 -0.058 0.000 0.746 511 E HN 0.317 nan 8.360 nan 0.000 0.450 512 A N 1.016 123.458 122.820 -0.630 0.000 1.858 512 A HA -0.212 4.109 4.320 0.002 0.000 0.216 512 A C 2.168 179.421 177.584 -0.552 0.000 1.190 512 A CA 1.473 52.798 52.037 -1.186 0.000 0.617 512 A CB -0.556 17.828 19.000 -1.025 0.000 0.827 512 A HN 0.285 nan 8.150 nan 0.000 0.443 513 Q N -0.551 119.069 119.800 -0.301 0.000 2.135 513 Q HA -0.178 4.164 4.340 0.002 0.000 0.204 513 Q C 2.394 178.332 176.000 -0.103 0.000 0.981 513 Q CA 1.653 57.368 55.803 -0.148 0.000 0.856 513 Q CB -0.592 28.093 28.738 -0.087 0.000 0.902 513 Q HN 0.679 nan 8.270 nan 0.000 0.425 514 A N 1.013 123.769 122.820 -0.108 0.000 1.930 514 A HA -0.122 4.200 4.320 0.002 0.000 0.217 514 A C 0.978 178.543 177.584 -0.030 0.000 1.175 514 A CA 1.025 53.030 52.037 -0.053 0.000 0.627 514 A CB -0.155 18.821 19.000 -0.040 0.000 0.815 514 A HN 0.200 nan 8.150 nan 0.000 0.443 515 D N 0.326 120.698 120.400 -0.046 0.000 2.494 515 D HA 0.261 4.902 4.640 0.002 0.000 0.217 515 D C 1.134 177.477 176.300 0.072 0.000 1.153 515 D CA 0.313 54.342 54.000 0.048 0.000 0.954 515 D CB 0.765 41.666 40.800 0.169 0.000 1.034 515 D HN 0.155 nan 8.370 nan 0.000 0.518 516 V N 1.328 121.272 119.914 0.051 0.000 3.380 516 V HA 0.090 4.211 4.120 0.002 0.000 0.268 516 V C 0.896 177.034 176.094 0.074 0.000 1.168 516 V CA 0.633 62.965 62.300 0.054 0.000 1.156 516 V CB -0.350 31.495 31.823 0.037 0.000 0.785 516 V HN 0.333 nan 8.190 nan 0.000 0.487 517 N N 1.065 119.814 118.700 0.082 0.000 2.230 517 N HA 0.266 5.007 4.740 0.002 0.000 0.202 517 N C 0.251 175.802 175.510 0.068 0.000 1.119 517 N CA 0.126 53.214 53.050 0.065 0.000 0.851 517 N CB 0.596 39.111 38.487 0.046 0.000 0.990 517 N HN 0.589 nan 8.380 nan 0.000 0.497 518 R N -0.082 120.487 120.500 0.115 0.000 2.795 518 R HA 0.393 4.734 4.340 0.002 0.000 0.275 518 R C -0.541 175.837 176.300 0.130 0.000 0.981 518 R CA -0.685 55.456 56.100 0.068 0.000 0.917 518 R CB 2.387 32.674 30.300 -0.021 0.000 1.202 518 R HN 0.017 nan 8.270 nan 0.000 0.469 519 M N 1.815 121.437 119.600 0.036 0.000 2.235 519 M HA 0.282 4.763 4.480 0.002 0.000 0.351 519 M C -1.431 174.863 176.300 -0.010 0.000 1.178 519 M CA 0.097 55.448 55.300 0.085 0.000 1.143 519 M CB 0.537 33.170 32.600 0.054 0.000 1.530 519 M HN 0.461 nan 8.290 nan 0.000 0.461 520 Y N 3.350 123.648 120.300 -0.003 0.000 2.377 520 Y HA 0.385 4.936 4.550 0.002 0.000 0.339 520 Y C -1.002 174.895 175.900 -0.005 0.000 1.011 520 Y CA -0.412 57.662 58.100 -0.043 0.000 1.093 520 Y CB 1.379 39.744 38.460 -0.159 0.000 1.201 520 Y HN 0.638 nan 8.280 nan 0.000 0.455 521 W N 7.266 128.490 121.300 -0.127 0.000 2.517 521 W HA 0.577 5.240 4.660 0.006 0.000 0.301 521 W C -2.115 174.330 176.519 -0.123 0.000 1.002 521 W CA -0.885 56.373 57.345 -0.145 0.000 1.415 521 W CB 0.836 30.226 29.460 -0.118 0.000 1.275 521 W HN 0.471 nan 8.180 nan 0.000 0.413 522 I N 3.982 124.306 120.570 -0.409 0.000 2.382 522 I HA 0.129 4.300 4.170 0.002 0.000 0.285 522 I C 0.241 176.228 176.117 -0.217 0.000 1.007 522 I CA -0.472 60.683 61.300 -0.242 0.000 1.142 522 I CB 1.890 39.706 38.000 -0.306 0.000 1.289 522 I HN 0.278 nan 8.210 nan 0.000 0.453 523 E N 7.522 127.673 120.200 -0.082 0.000 2.129 523 E HA 0.318 4.669 4.350 0.002 0.000 0.283 523 E C -1.103 175.523 176.600 0.042 0.000 1.080 523 E CA -0.473 55.909 56.400 -0.030 0.000 0.867 523 E CB 0.737 30.488 29.700 0.086 0.000 1.056 523 E HN 0.540 nan 8.360 nan 0.000 0.404 524 L N 4.997 126.243 121.223 0.039 0.000 2.275 524 L HA 0.318 4.659 4.340 0.002 0.000 0.288 524 L C -0.475 176.403 176.870 0.013 0.000 1.046 524 L CA -0.970 53.907 54.840 0.062 0.000 0.805 524 L CB 1.469 43.567 42.059 0.065 0.000 1.193 524 L HN 0.343 nan 8.230 nan 0.000 0.426 525 V N 5.535 125.462 119.914 0.022 0.000 2.364 525 V HA 0.414 4.535 4.120 0.002 0.000 0.272 525 V C 0.080 176.165 176.094 -0.014 0.000 1.036 525 V CA -0.269 62.038 62.300 0.012 0.000 0.880 525 V CB 1.378 33.221 31.823 0.033 0.000 0.991 525 V HN 0.476 nan 8.190 nan 0.000 0.460 526 L N 3.617 124.825 121.223 -0.024 0.000 2.327 526 L HA 0.614 4.955 4.340 0.002 0.000 0.258 526 L C 0.037 176.896 176.870 -0.019 0.000 1.024 526 L CA -0.668 54.151 54.840 -0.034 0.000 0.825 526 L CB 1.818 43.843 42.059 -0.057 0.000 1.386 526 L HN 0.412 nan 8.230 nan 0.000 0.417 527 E N 0.946 121.136 120.200 -0.017 0.000 2.354 527 E HA 0.058 4.409 4.350 0.002 0.000 0.269 527 E C 0.405 177.001 176.600 -0.007 0.000 1.036 527 E CA -0.162 56.232 56.400 -0.010 0.000 0.876 527 E CB 0.996 30.690 29.700 -0.010 0.000 1.009 527 E HN 0.545 nan 8.360 nan 0.000 0.416 528 K N 1.604 121.999 120.400 -0.007 0.000 2.209 528 K HA -0.170 4.151 4.320 0.002 0.000 0.204 528 K C 0.720 177.321 176.600 0.001 0.000 1.048 528 K CA 1.434 57.718 56.287 -0.005 0.000 0.940 528 K CB 0.056 32.548 32.500 -0.014 0.000 0.729 528 K HN 0.181 nan 8.250 nan 0.000 0.451 529 E N 1.155 121.353 120.200 -0.003 0.000 2.481 529 E HA -0.005 4.346 4.350 0.002 0.000 0.195 529 E C -0.445 176.157 176.600 0.003 0.000 1.047 529 E CA 0.324 56.722 56.400 -0.002 0.000 0.867 529 E CB 0.089 29.784 29.700 -0.008 0.000 0.858 529 E HN 0.298 nan 8.360 nan 0.000 0.513 530 D N 0.619 121.022 120.400 0.006 0.000 2.295 530 D HA 0.439 5.080 4.640 0.002 0.000 0.248 530 D C -1.020 175.298 176.300 0.031 0.000 1.154 530 D CA -0.287 53.719 54.000 0.010 0.000 0.857 530 D CB 0.785 41.584 40.800 -0.001 0.000 1.117 530 D HN 0.056 nan 8.370 nan 0.000 0.468 531 A N 4.305 127.146 122.820 0.036 0.000 2.475 531 A HA 0.705 5.026 4.320 0.002 0.000 0.301 531 A C -2.694 174.930 177.584 0.066 0.000 1.059 531 A CA -1.422 50.651 52.037 0.058 0.000 0.710 531 A CB 1.664 20.684 19.000 0.032 0.000 1.288 531 A HN 0.464 nan 8.150 nan 0.000 0.408 532 P HA 0.127 nan 4.420 nan 0.000 0.269 532 P C 0.350 177.668 177.300 0.029 0.000 1.215 532 P CA -0.062 63.102 63.100 0.107 0.000 0.780 532 P CB 0.727 32.505 31.700 0.129 0.000 0.898 533 K N 0.766 121.178 120.400 0.020 0.000 2.059 533 K HA -0.210 4.111 4.320 0.002 0.000 0.212 533 K C 1.869 178.441 176.600 -0.046 0.000 1.050 533 K CA 1.418 57.698 56.287 -0.012 0.000 0.927 533 K CB -0.631 31.866 32.500 -0.006 0.000 0.714 533 K HN 0.284 nan 8.250 nan 0.000 0.447 534 L N 1.099 122.289 121.223 -0.054 0.000 2.083 534 L HA -0.145 4.196 4.340 0.002 0.000 0.209 534 L C 2.028 178.800 176.870 -0.162 0.000 1.083 534 L CA 1.370 56.157 54.840 -0.089 0.000 0.752 534 L CB -0.378 41.645 42.059 -0.059 0.000 0.899 534 L HN 0.116 nan 8.230 nan 0.000 0.433 535 L N -0.748 120.384 121.223 -0.152 0.000 2.179 535 L HA -0.085 4.256 4.340 0.002 0.000 0.208 535 L C 2.359 179.118 176.870 -0.185 0.000 1.096 535 L CA 1.492 56.169 54.840 -0.271 0.000 0.779 535 L CB -0.761 41.209 42.059 -0.148 0.000 0.922 535 L HN 0.204 nan 8.230 nan 0.000 0.443 536 K N -0.081 120.258 120.400 -0.103 0.000 2.103 536 K HA -0.201 4.121 4.320 0.002 0.000 0.207 536 K C 2.007 178.548 176.600 -0.099 0.000 1.048 536 K CA 1.605 57.847 56.287 -0.075 0.000 0.930 536 K CB -0.189 32.285 32.500 -0.045 0.000 0.716 536 K HN 0.428 nan 8.250 nan 0.000 0.444 537 K N 0.262 120.587 120.400 -0.125 0.000 2.044 537 K HA -0.041 4.281 4.320 0.002 0.000 0.204 537 K C 2.152 178.625 176.600 -0.211 0.000 1.049 537 K CA 0.965 57.168 56.287 -0.140 0.000 0.945 537 K CB -0.119 32.304 32.500 -0.129 0.000 0.724 537 K HN -0.038 nan 8.250 nan 0.000 0.440 538 M N 0.918 120.330 119.600 -0.312 0.000 2.229 538 M HA -0.008 4.473 4.480 0.002 0.000 0.264 538 M C 1.874 177.905 176.300 -0.448 0.000 1.063 538 M CA 1.405 56.402 55.300 -0.505 0.000 1.114 538 M CB -0.585 31.579 32.600 -0.726 0.000 1.387 538 M HN 0.203 nan 8.290 nan 0.000 0.420 539 G N 0.262 108.930 108.800 -0.221 0.000 2.476 539 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 539 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 539 G C 1.611 176.516 174.900 0.008 0.000 1.164 539 G CA 0.908 46.003 45.100 -0.009 0.000 0.768 539 G HN 0.371 nan 8.290 nan 0.000 0.560 540 K N 0.213 120.579 120.400 -0.056 0.000 2.217 540 K HA 0.140 4.461 4.320 0.002 0.000 0.202 540 K C 2.504 179.076 176.600 -0.047 0.000 1.051 540 K CA 0.342 56.610 56.287 -0.032 0.000 0.952 540 K CB -0.370 32.104 32.500 -0.043 0.000 0.736 540 K HN 0.368 nan 8.250 nan 0.000 0.453 541 L N -0.428 120.713 121.223 -0.137 0.000 2.072 541 L HA -0.103 4.238 4.340 0.002 0.000 0.205 541 L C 2.292 179.098 176.870 -0.106 0.000 1.079 541 L CA 0.901 55.641 54.840 -0.168 0.000 0.752 541 L CB -0.499 41.381 42.059 -0.299 0.000 0.906 541 L HN -0.046 nan 8.230 nan 0.000 0.436 542 F N 0.623 120.526 119.950 -0.077 0.000 2.095 542 F HA -0.233 4.295 4.527 0.002 0.000 0.298 542 F C 2.672 178.452 175.800 -0.034 0.000 1.104 542 F CA 1.186 59.148 58.000 -0.063 0.000 1.232 542 F CB -1.128 37.823 39.000 -0.083 0.000 0.987 542 F HN 0.016 nan 8.300 nan 0.000 0.475 543 A N -0.489 122.435 122.820 0.174 0.000 1.908 543 A HA -0.260 4.062 4.320 0.002 0.000 0.218 543 A C 2.214 179.844 177.584 0.077 0.000 1.181 543 A CA 1.918 54.023 52.037 0.113 0.000 0.627 543 A CB -0.945 18.119 19.000 0.107 0.000 0.818 543 A HN 0.453 nan 8.150 nan 0.000 0.445 544 E N -0.621 119.613 120.200 0.057 0.000 2.077 544 E HA -0.277 4.075 4.350 0.002 0.000 0.193 544 E C 2.186 178.817 176.600 0.052 0.000 0.989 544 E CA 1.325 57.750 56.400 0.041 0.000 0.800 544 E CB -0.176 29.536 29.700 0.020 0.000 0.746 544 E HN 0.765 nan 8.360 nan 0.000 0.452 545 Q N 0.111 119.955 119.800 0.074 0.000 2.226 545 Q HA -0.147 4.195 4.340 0.002 0.000 0.204 545 Q C 1.043 177.085 176.000 0.069 0.000 0.975 545 Q CA 1.396 57.257 55.803 0.095 0.000 0.866 545 Q CB 0.103 28.933 28.738 0.152 0.000 0.915 545 Q HN 0.192 nan 8.270 nan 0.000 0.440 546 N N 0.191 118.922 118.700 0.052 0.000 2.322 546 N HA 0.068 4.809 4.740 0.002 0.000 0.194 546 N C -0.545 174.964 175.510 -0.001 0.000 1.126 546 N CA 0.370 53.427 53.050 0.010 0.000 0.845 546 N CB 0.462 38.937 38.487 -0.020 0.000 0.976 546 N HN 0.212 nan 8.380 nan 0.000 0.475 547 K N 0.000 120.410 120.400 0.016 0.000 2.780 547 K HA 0.000 4.321 4.320 0.002 0.000 0.191 547 K CA 0.000 56.294 56.287 0.012 0.000 0.838 547 K CB 0.000 32.514 32.500 0.023 0.000 1.064 547 K HN 0.000 nan 8.250 nan 0.000 0.543