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 3fg0_1_B DATA FIRST_RESID -3 DATA SEQUENCE QSNAMELLKH LSQRQYIDGE WVESANKNTR DIINPYNQEV IFTVSEGTKE DATA SEQUENCE DAERAILAAR RAFESGEWSQ ETAETRGKKV RAIADKIKEH REALARLETL DATA SEQUENCE DTGKTLEESY ADMDDIHNVF MYFAGLADKD GGEMIDSPIP DTESKIVKEP DATA SEQUENCE VGVVTQITPW NYPLLQASWK IAPALATGCS LVMKPSEITP LTTIRVFELM DATA SEQUENCE EEVGFPKGTI NLILGAGSEV GDVMSGHKEV DLVSFTGGIE TGKHIMKNAA DATA SEQUENCE NNVTNIALEL GGKNPNIIFD DADFELAVDQ ALNGGYFHAG QVCSAGSRIL DATA SEQUENCE VQNSIKDKFE QALIDRVKKI KLGNGFDADT EMGPVISTEH RNKIESYMDV DATA SEQUENCE AKAEGATIAV GGKRPDRDDL KDGLFFEPTV ITNCDTSMRI VQEEVFGPVV DATA SEQUENCE TVEGFETEQE AIQLANDSIY GLAGAVFSKD IGKAQRVANK LKLGTVWIND DATA SEQUENCE FHPYFAQAPW GGYKQSGIGR ELGKEGLEEY LVSKHILTNT NPQLVNWFSK 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 -3 Q HA 0.000 nan 4.340 nan 0.000 0.214 -3 Q C 0.000 175.674 176.000 -0.544 0.000 1.003 -3 Q CA 0.000 55.170 55.803 -1.055 0.000 1.022 -3 Q CB 0.000 28.366 28.738 -0.619 0.000 1.108 -2 S N 0.461 115.986 115.700 -0.291 0.000 2.423 -2 S HA -0.076 4.394 4.470 -0.001 0.000 0.231 -2 S C 1.253 175.761 174.600 -0.153 0.000 1.014 -2 S CA 1.418 59.517 58.200 -0.167 0.000 0.965 -2 S CB -0.323 62.817 63.200 -0.100 0.000 0.785 -2 S HN 0.390 nan 8.310 nan 0.000 0.495 -1 N N 2.786 121.381 118.700 -0.175 0.000 2.223 -1 N HA 0.139 4.878 4.740 -0.001 0.000 0.185 -1 N C 1.832 177.276 175.510 -0.110 0.000 1.016 -1 N CA 1.322 54.303 53.050 -0.115 0.000 0.863 -1 N CB -0.743 37.690 38.487 -0.090 0.000 0.983 -1 N HN 0.616 nan 8.380 nan 0.000 0.429 0 A N 0.650 123.354 122.820 -0.193 0.000 1.930 0 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 0 A C 2.005 179.535 177.584 -0.091 0.000 1.175 0 A CA 1.064 53.033 52.037 -0.115 0.000 0.627 0 A CB -0.311 18.620 19.000 -0.115 0.000 0.815 0 A HN 0.085 nan 8.150 nan 0.000 0.443 1 M N -0.140 119.392 119.600 -0.112 0.000 2.213 1 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 1 M C 1.748 178.006 176.300 -0.070 0.000 1.062 1 M CA 1.105 56.359 55.300 -0.076 0.000 1.105 1 M CB -1.324 31.239 32.600 -0.062 0.000 1.385 1 M HN 0.389 nan 8.290 nan 0.000 0.417 2 E N 0.480 120.642 120.200 -0.063 0.000 2.153 2 E HA -0.089 4.261 4.350 -0.001 0.000 0.194 2 E C 2.236 178.814 176.600 -0.037 0.000 0.988 2 E CA 0.923 57.295 56.400 -0.046 0.000 0.811 2 E CB -0.374 29.318 29.700 -0.013 0.000 0.746 2 E HN 0.530 nan 8.360 nan 0.000 0.466 3 L N 0.374 121.582 121.223 -0.025 0.000 2.131 3 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 3 L C 2.447 179.271 176.870 -0.075 0.000 1.092 3 L CA 0.658 55.497 54.840 -0.002 0.000 0.759 3 L CB -0.380 41.664 42.059 -0.025 0.000 0.903 3 L HN 0.106 nan 8.230 nan 0.000 0.435 4 L N -0.487 120.649 121.223 -0.145 0.000 2.275 4 L HA -0.177 4.163 4.340 -0.001 0.000 0.215 4 L C 2.395 179.211 176.870 -0.090 0.000 1.119 4 L CA 0.954 55.658 54.840 -0.226 0.000 0.790 4 L CB -0.470 41.450 42.059 -0.232 0.000 0.919 4 L HN 0.230 nan 8.230 nan 0.000 0.443 5 K N -0.632 119.655 120.400 -0.188 0.000 2.280 5 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 5 K C 1.157 177.476 176.600 -0.467 0.000 1.047 5 K CA 0.844 56.925 56.287 -0.342 0.000 0.942 5 K CB -0.012 32.160 32.500 -0.546 0.000 0.739 5 K HN 0.505 nan 8.250 nan 0.000 0.457 6 H N -0.905 118.158 119.070 -0.010 0.000 2.784 6 H HA 0.109 4.664 4.556 -0.002 0.000 0.273 6 H C -0.193 175.098 175.328 -0.061 0.000 1.112 6 H CA -0.450 55.578 56.048 -0.034 0.000 1.162 6 H CB 0.272 30.007 29.762 -0.045 0.000 1.586 6 H HN -0.002 nan 8.280 nan 0.000 0.548 7 L N 2.206 123.442 121.223 0.022 0.000 2.371 7 L HA 0.212 4.551 4.340 -0.001 0.000 0.272 7 L C 0.338 177.238 176.870 0.051 0.000 1.124 7 L CA -0.051 54.774 54.840 -0.024 0.000 0.816 7 L CB 1.204 43.159 42.059 -0.174 0.000 1.129 7 L HN -0.088 nan 8.230 nan 0.000 0.448 8 S N 3.029 118.638 115.700 -0.152 0.000 2.579 8 S HA 0.130 4.599 4.470 -0.001 0.000 0.275 8 S C 0.555 175.179 174.600 0.040 0.000 1.345 8 S CA -0.271 57.767 58.200 -0.272 0.000 1.031 8 S CB 0.593 63.215 63.200 -0.962 0.000 0.892 8 S HN 0.712 nan 8.310 nan 0.000 0.529 9 Q N 0.373 120.174 119.800 0.001 0.000 2.179 9 Q HA 0.224 4.563 4.340 -0.001 0.000 0.213 9 Q C 0.089 176.125 176.000 0.060 0.000 0.833 9 Q CA 0.063 55.861 55.803 -0.008 0.000 0.990 9 Q CB 0.664 29.270 28.738 -0.221 0.000 1.132 9 Q HN 0.432 nan 8.270 nan 0.000 0.493 10 R N -0.019 120.582 120.500 0.168 0.000 2.923 10 R HA 0.389 4.728 4.340 -0.001 0.000 0.252 10 R C -0.293 176.258 176.300 0.418 0.000 1.130 10 R CA -0.674 55.591 56.100 0.276 0.000 1.043 10 R CB 1.253 31.755 30.300 0.336 0.000 1.205 10 R HN 0.056 nan 8.270 nan 0.000 0.495 11 Q N 0.336 120.287 119.800 0.251 0.000 2.396 11 Q HA 0.143 4.482 4.340 -0.001 0.000 0.221 11 Q C -1.205 174.825 176.000 0.049 0.000 1.025 11 Q CA -0.022 55.849 55.803 0.114 0.000 0.946 11 Q CB 0.746 29.495 28.738 0.019 0.000 1.224 11 Q HN 0.435 nan 8.270 nan 0.000 0.539 12 Y N 1.218 121.284 120.300 -0.391 0.000 2.363 12 Y HA 0.473 5.022 4.550 -0.001 0.000 0.325 12 Y C -1.443 174.234 175.900 -0.371 0.000 0.984 12 Y CA -0.543 57.169 58.100 -0.646 0.000 1.248 12 Y CB 0.621 38.406 38.460 -1.126 0.000 1.116 12 Y HN 0.435 nan 8.280 nan 0.000 0.470 13 I N 5.488 125.723 120.570 -0.560 0.000 2.499 13 I HA 0.229 4.399 4.170 -0.001 0.000 0.288 13 I C -0.554 175.312 176.117 -0.419 0.000 1.048 13 I CA -0.943 60.135 61.300 -0.371 0.000 1.062 13 I CB 1.896 39.774 38.000 -0.204 0.000 1.238 13 I HN 0.555 nan 8.210 nan 0.000 0.426 14 D N 5.196 125.401 120.400 -0.325 0.000 2.689 14 D HA -0.183 4.456 4.640 -0.001 0.000 0.237 14 D C 1.059 177.171 176.300 -0.315 0.000 1.148 14 D CA 1.804 55.661 54.000 -0.239 0.000 0.656 14 D CB -0.677 40.032 40.800 -0.151 0.000 1.050 14 D HN 1.146 nan 8.370 nan 0.000 0.426 15 G N -0.363 108.111 108.800 -0.544 0.000 2.159 15 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.256 15 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.256 15 G C 0.091 174.652 174.900 -0.566 0.000 0.977 15 G CA 0.558 45.362 45.100 -0.493 0.000 0.652 15 G HN 0.553 nan 8.290 nan 0.000 0.531 16 E N -1.410 118.328 120.200 -0.770 0.000 2.293 16 E HA 0.455 4.804 4.350 -0.001 0.000 0.270 16 E C -0.880 175.492 176.600 -0.380 0.000 0.879 16 E CA -1.106 55.066 56.400 -0.379 0.000 0.756 16 E CB 1.216 30.817 29.700 -0.165 0.000 1.208 16 E HN 0.244 nan 8.360 nan 0.000 0.428 17 W N 2.981 124.338 121.300 0.095 0.000 2.419 17 W HA 0.292 4.952 4.660 -0.000 0.000 0.312 17 W C -0.071 176.478 176.519 0.049 0.000 1.323 17 W CA -0.348 57.089 57.345 0.154 0.000 1.293 17 W CB 0.597 30.169 29.460 0.186 0.000 1.324 17 W HN 0.183 nan 8.180 nan 0.000 0.512 18 V N 0.522 120.558 119.914 0.203 0.000 2.876 18 V HA 0.538 4.657 4.120 -0.001 0.000 0.312 18 V C -0.098 176.057 176.094 0.102 0.000 1.085 18 V CA -1.585 60.779 62.300 0.106 0.000 0.945 18 V CB 1.705 33.536 31.823 0.013 0.000 1.017 18 V HN 0.520 nan 8.190 nan 0.000 0.428 19 E N 1.287 121.529 120.200 0.070 0.000 2.376 19 E HA 0.344 4.693 4.350 -0.001 0.000 0.254 19 E C 0.215 176.833 176.600 0.029 0.000 1.213 19 E CA -0.303 56.127 56.400 0.049 0.000 0.945 19 E CB 0.869 30.587 29.700 0.030 0.000 1.057 19 E HN 0.883 nan 8.360 nan 0.000 0.479 20 S N -0.074 115.638 115.700 0.020 0.000 2.563 20 S HA 0.042 4.511 4.470 -0.001 0.000 0.284 20 S C 1.076 175.679 174.600 0.006 0.000 1.331 20 S CA 0.242 58.448 58.200 0.010 0.000 1.047 20 S CB 0.792 63.996 63.200 0.007 0.000 0.859 20 S HN 0.579 nan 8.310 nan 0.000 0.514 21 A N 3.909 126.731 122.820 0.002 0.000 2.024 21 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 21 A C 1.523 179.108 177.584 0.002 0.000 1.164 21 A CA 1.938 53.975 52.037 0.001 0.000 0.643 21 A CB -0.701 18.299 19.000 -0.001 0.000 0.806 21 A HN 0.981 nan 8.150 nan 0.000 0.451 22 N N -2.298 116.403 118.700 0.002 0.000 2.204 22 N HA 0.092 4.831 4.740 -0.001 0.000 0.219 22 N C 0.129 175.639 175.510 -0.000 0.000 1.151 22 N CA 0.361 53.411 53.050 0.001 0.000 0.867 22 N CB -0.033 38.454 38.487 0.001 0.000 1.043 22 N HN 0.419 nan 8.380 nan 0.000 0.516 23 K N -1.140 119.260 120.400 0.000 0.000 3.209 23 K HA -0.237 4.082 4.320 -0.001 0.000 0.289 23 K C -0.391 176.205 176.600 -0.006 0.000 1.191 23 K CA 0.575 56.861 56.287 -0.002 0.000 0.851 23 K CB -1.615 30.883 32.500 -0.004 0.000 1.242 23 K HN 0.379 nan 8.250 nan 0.000 0.480 24 N N 1.610 120.308 118.700 -0.004 0.000 2.453 24 N HA 0.115 4.854 4.740 -0.001 0.000 0.253 24 N C -0.215 175.289 175.510 -0.009 0.000 1.252 24 N CA 1.010 54.056 53.050 -0.006 0.000 0.917 24 N CB 0.800 39.286 38.487 -0.001 0.000 1.117 24 N HN 0.273 nan 8.380 nan 0.000 0.442 25 T N -0.791 113.755 114.554 -0.014 0.000 2.865 25 T HA 0.598 4.947 4.350 -0.001 0.000 0.294 25 T C -0.641 174.050 174.700 -0.016 0.000 1.119 25 T CA -1.057 61.030 62.100 -0.023 0.000 1.007 25 T CB 1.803 70.645 68.868 -0.044 0.000 1.225 25 T HN 0.599 nan 8.240 nan 0.000 0.515 26 R N 0.538 121.028 120.500 -0.017 0.000 2.621 26 R HA 0.472 4.811 4.340 -0.001 0.000 0.284 26 R C -1.777 174.520 176.300 -0.005 0.000 0.998 26 R CA -0.560 55.538 56.100 -0.003 0.000 0.895 26 R CB 1.574 31.883 30.300 0.014 0.000 1.195 26 R HN 0.670 nan 8.270 nan 0.000 0.450 27 D N 4.340 124.741 120.400 0.001 0.000 2.277 27 D HA 0.248 4.887 4.640 -0.001 0.000 0.249 27 D C 0.138 176.461 176.300 0.039 0.000 1.134 27 D CA -0.061 53.946 54.000 0.012 0.000 0.863 27 D CB 1.080 41.883 40.800 0.006 0.000 1.143 27 D HN 0.314 nan 8.370 nan 0.000 0.458 28 I N 3.106 123.722 120.570 0.077 0.000 2.385 28 I HA 0.361 4.530 4.170 -0.001 0.000 0.294 28 I C 0.633 176.799 176.117 0.083 0.000 0.988 28 I CA -0.539 60.819 61.300 0.097 0.000 1.265 28 I CB 0.893 38.994 38.000 0.169 0.000 1.388 28 I HN 0.188 nan 8.210 nan 0.000 0.480 29 I N 4.790 125.393 120.570 0.055 0.000 2.562 29 I HA 0.293 4.462 4.170 -0.001 0.000 0.301 29 I C 0.197 176.342 176.117 0.046 0.000 1.003 29 I CA -0.801 60.524 61.300 0.042 0.000 1.127 29 I CB 1.836 39.844 38.000 0.012 0.000 1.304 29 I HN 0.464 nan 8.210 nan 0.000 0.446 30 N N 6.668 125.403 118.700 0.059 0.000 2.426 30 N HA 0.281 5.020 4.740 -0.001 0.000 0.257 30 N C -1.915 173.632 175.510 0.060 0.000 1.002 30 N CA -2.440 50.659 53.050 0.083 0.000 0.942 30 N CB 1.431 40.000 38.487 0.137 0.000 1.112 30 N HN 0.242 nan 8.380 nan 0.000 0.499 31 P HA -0.124 nan 4.420 nan 0.000 0.230 31 P C 0.953 178.234 177.300 -0.033 0.000 1.158 31 P CA 0.730 63.813 63.100 -0.029 0.000 0.769 31 P CB 0.017 31.678 31.700 -0.066 0.000 0.807 32 Y N 3.136 123.408 120.300 -0.047 0.000 2.242 32 Y HA -0.146 4.403 4.550 -0.002 0.000 0.291 32 Y C 1.331 177.283 175.900 0.087 0.000 1.137 32 Y CA 2.085 60.189 58.100 0.007 0.000 1.181 32 Y CB -0.562 37.961 38.460 0.106 0.000 0.989 32 Y HN 0.032 nan 8.280 nan 0.000 0.527 33 N N -1.579 117.045 118.700 -0.126 0.000 2.118 33 N HA 0.048 4.788 4.740 -0.001 0.000 0.226 33 N C -0.149 175.320 175.510 -0.068 0.000 1.305 33 N CA 0.444 53.380 53.050 -0.191 0.000 0.890 33 N CB -0.262 38.170 38.487 -0.092 0.000 1.118 33 N HN 0.377 nan 8.380 nan 0.000 0.511 34 Q N -0.399 119.381 119.800 -0.033 0.000 2.480 34 Q HA -0.215 4.124 4.340 -0.001 0.000 0.265 34 Q C -1.136 174.865 176.000 0.002 0.000 1.072 34 Q CA 1.055 56.848 55.803 -0.017 0.000 1.018 34 Q CB -1.835 26.886 28.738 -0.028 0.000 1.433 34 Q HN 0.639 nan 8.270 nan 0.000 0.513 35 E N 0.219 120.433 120.200 0.022 0.000 2.301 35 E HA 0.368 4.717 4.350 -0.001 0.000 0.275 35 E C -0.138 176.487 176.600 0.042 0.000 1.030 35 E CA -0.568 55.851 56.400 0.031 0.000 0.852 35 E CB 1.457 31.183 29.700 0.042 0.000 1.060 35 E HN -0.048 nan 8.360 nan 0.000 0.401 36 V N 4.566 124.502 119.914 0.037 0.000 2.521 36 V HA -0.036 4.084 4.120 -0.001 0.000 0.286 36 V C 1.119 177.255 176.094 0.069 0.000 1.034 36 V CA 0.677 63.006 62.300 0.047 0.000 1.045 36 V CB 0.087 31.929 31.823 0.032 0.000 0.974 36 V HN 0.617 nan 8.190 nan 0.000 0.480 37 I N 1.654 122.286 120.570 0.102 0.000 4.187 37 I HA 0.510 4.680 4.170 -0.001 0.000 0.326 37 I C 0.112 176.381 176.117 0.255 0.000 1.302 37 I CA 0.429 61.808 61.300 0.132 0.000 1.196 37 I CB 0.587 38.650 38.000 0.105 0.000 1.095 37 I HN 0.460 nan 8.210 nan 0.000 0.411 38 F N 0.676 120.628 119.950 0.003 0.000 2.744 38 F HA 0.576 5.102 4.527 -0.002 0.000 0.311 38 F C -1.470 174.330 175.800 -0.001 0.000 1.144 38 F CA -0.511 57.487 58.000 -0.003 0.000 0.938 38 F CB 2.010 41.010 39.000 0.000 0.000 1.292 38 F HN -0.272 nan 8.300 nan 0.000 0.444 39 T N 3.755 118.042 114.554 -0.445 0.000 2.841 39 T HA 0.671 5.020 4.350 -0.001 0.000 0.285 39 T C -1.088 173.355 174.700 -0.428 0.000 0.991 39 T CA -0.585 61.334 62.100 -0.302 0.000 0.966 39 T CB 1.341 70.074 68.868 -0.225 0.000 0.962 39 T HN 0.686 nan 8.240 nan 0.000 0.438 40 V N 0.400 120.208 119.914 -0.177 0.000 3.046 40 V HA 0.788 4.907 4.120 -0.001 0.000 0.316 40 V C 0.200 176.269 176.094 -0.042 0.000 1.104 40 V CA -1.058 61.181 62.300 -0.100 0.000 1.006 40 V CB 1.864 33.717 31.823 0.049 0.000 1.058 40 V HN 0.766 nan 8.190 nan 0.000 0.440 41 S N 1.419 117.114 115.700 -0.009 0.000 2.552 41 S HA 0.218 4.687 4.470 -0.001 0.000 0.289 41 S C -0.033 174.577 174.600 0.018 0.000 1.304 41 S CA 0.292 58.498 58.200 0.009 0.000 1.063 41 S CB 0.248 63.468 63.200 0.034 0.000 0.848 41 S HN 0.971 nan 8.310 nan 0.000 0.499 42 E N 1.923 122.129 120.200 0.010 0.000 2.102 42 E HA 0.479 4.828 4.350 -0.001 0.000 0.263 42 E C 0.360 176.967 176.600 0.012 0.000 0.894 42 E CA -0.360 56.048 56.400 0.013 0.000 0.746 42 E CB 0.419 30.124 29.700 0.009 0.000 1.129 42 E HN 0.638 nan 8.360 nan 0.000 0.416 43 G N 2.683 111.491 108.800 0.013 0.000 2.606 43 G HA2 0.354 4.314 3.960 -0.001 0.000 0.252 43 G HA3 0.354 4.314 3.960 -0.001 0.000 0.252 43 G C 0.028 174.933 174.900 0.007 0.000 1.206 43 G CA 0.088 45.193 45.100 0.008 0.000 0.861 43 G HN 0.588 nan 8.290 nan 0.000 0.561 44 T N -2.075 112.481 114.554 0.005 0.000 2.937 44 T HA 0.398 4.747 4.350 -0.001 0.000 0.283 44 T C 1.199 175.904 174.700 0.008 0.000 1.012 44 T CA -0.791 61.313 62.100 0.006 0.000 0.997 44 T CB 1.945 70.816 68.868 0.005 0.000 1.136 44 T HN 0.408 nan 8.240 nan 0.000 0.551 45 K N 0.145 120.552 120.400 0.012 0.000 2.103 45 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 45 K C 2.221 178.831 176.600 0.016 0.000 1.048 45 K CA 1.709 58.007 56.287 0.019 0.000 0.930 45 K CB -0.161 32.353 32.500 0.024 0.000 0.716 45 K HN 0.810 nan 8.250 nan 0.000 0.444 46 E N 1.200 121.406 120.200 0.011 0.000 2.085 46 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 46 E C 1.278 177.874 176.600 -0.006 0.000 0.994 46 E CA 1.498 57.902 56.400 0.007 0.000 0.801 46 E CB 0.097 29.800 29.700 0.005 0.000 0.743 46 E HN 0.232 nan 8.360 nan 0.000 0.453 47 D N 0.321 120.715 120.400 -0.010 0.000 2.097 47 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 47 D C 1.885 178.164 176.300 -0.034 0.000 0.989 47 D CA 1.368 55.355 54.000 -0.023 0.000 0.827 47 D CB -0.349 40.440 40.800 -0.019 0.000 0.966 47 D HN 0.308 nan 8.370 nan 0.000 0.456 48 A N 1.255 124.061 122.820 -0.023 0.000 1.908 48 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 48 A C 2.092 179.642 177.584 -0.058 0.000 1.181 48 A CA 1.630 53.649 52.037 -0.030 0.000 0.627 48 A CB -0.604 18.393 19.000 -0.005 0.000 0.818 48 A HN 0.218 nan 8.150 nan 0.000 0.445 49 E N -0.970 119.207 120.200 -0.039 0.000 2.110 49 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 49 E C 2.304 178.841 176.600 -0.105 0.000 0.988 49 E CA 1.206 57.564 56.400 -0.070 0.000 0.804 49 E CB -0.148 29.571 29.700 0.032 0.000 0.745 49 E HN 0.592 nan 8.360 nan 0.000 0.458 50 R N 0.501 120.962 120.500 -0.064 0.000 2.075 50 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 50 R C 2.241 178.492 176.300 -0.082 0.000 1.126 50 R CA 1.209 57.272 56.100 -0.062 0.000 0.963 50 R CB -0.142 30.130 30.300 -0.048 0.000 0.858 50 R HN 0.143 nan 8.270 nan 0.000 0.435 51 A N 0.749 123.516 122.820 -0.088 0.000 1.902 51 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 51 A C 2.099 179.628 177.584 -0.092 0.000 1.181 51 A CA 1.278 53.262 52.037 -0.087 0.000 0.623 51 A CB -0.447 18.505 19.000 -0.079 0.000 0.818 51 A HN 0.334 nan 8.150 nan 0.000 0.443 52 I N -0.378 120.107 120.570 -0.141 0.000 2.252 52 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 52 I C 2.280 178.299 176.117 -0.163 0.000 1.102 52 I CA 1.057 62.243 61.300 -0.191 0.000 1.385 52 I CB -0.287 37.482 38.000 -0.385 0.000 1.064 52 I HN 0.285 nan 8.210 nan 0.000 0.414 53 L N 0.358 121.487 121.223 -0.156 0.000 2.093 53 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 53 L C 2.835 179.688 176.870 -0.029 0.000 1.085 53 L CA 1.107 55.903 54.840 -0.073 0.000 0.755 53 L CB -0.735 41.297 42.059 -0.044 0.000 0.904 53 L HN 0.212 nan 8.230 nan 0.000 0.435 54 A N 0.271 123.067 122.820 -0.039 0.000 1.902 54 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 54 A C 2.559 180.148 177.584 0.008 0.000 1.181 54 A CA 1.703 53.726 52.037 -0.023 0.000 0.623 54 A CB -0.671 18.298 19.000 -0.052 0.000 0.818 54 A HN 0.380 nan 8.150 nan 0.000 0.443 55 A N -0.168 122.655 122.820 0.005 0.000 1.902 55 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 55 A C 2.181 179.826 177.584 0.101 0.000 1.181 55 A CA 2.150 54.216 52.037 0.048 0.000 0.623 55 A CB -0.427 18.588 19.000 0.025 0.000 0.818 55 A HN 0.482 nan 8.150 nan 0.000 0.443 56 R N 0.120 120.658 120.500 0.063 0.000 2.066 56 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 56 R C 2.293 178.681 176.300 0.147 0.000 1.131 56 R CA 1.960 58.122 56.100 0.105 0.000 0.955 56 R CB -0.656 29.677 30.300 0.054 0.000 0.851 56 R HN 0.517 nan 8.270 nan 0.000 0.432 57 R N -0.152 120.403 120.500 0.092 0.000 2.091 57 R HA -0.113 4.227 4.340 -0.001 0.000 0.238 57 R C 1.936 178.297 176.300 0.100 0.000 1.136 57 R CA 1.738 57.888 56.100 0.082 0.000 0.959 57 R CB -0.465 29.863 30.300 0.046 0.000 0.856 57 R HN 0.340 nan 8.270 nan 0.000 0.437 58 A N 0.464 123.351 122.820 0.110 0.000 1.877 58 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 58 A C 2.002 179.683 177.584 0.160 0.000 1.186 58 A CA 1.265 53.374 52.037 0.120 0.000 0.620 58 A CB -0.827 18.241 19.000 0.114 0.000 0.822 58 A HN 0.502 nan 8.150 nan 0.000 0.443 59 F N 1.060 121.060 119.950 0.082 0.000 2.095 59 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 59 F C 2.282 178.129 175.800 0.077 0.000 1.104 59 F CA 2.223 60.281 58.000 0.096 0.000 1.232 59 F CB -0.025 39.025 39.000 0.083 0.000 0.987 59 F HN 0.232 nan 8.300 nan 0.000 0.475 60 E N -0.007 120.308 120.200 0.191 0.000 2.204 60 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 60 E C 2.431 179.027 176.600 -0.006 0.000 0.989 60 E CA 1.206 57.659 56.400 0.089 0.000 0.824 60 E CB -0.768 29.014 29.700 0.136 0.000 0.756 60 E HN 0.544 nan 8.360 nan 0.000 0.477 61 S N -0.297 115.407 115.700 0.007 0.000 2.419 61 S HA -0.047 4.423 4.470 -0.001 0.000 0.233 61 S C 1.830 176.409 174.600 -0.035 0.000 1.016 61 S CA 1.332 59.532 58.200 0.001 0.000 0.974 61 S CB -0.275 62.941 63.200 0.027 0.000 0.786 61 S HN 0.342 nan 8.310 nan 0.000 0.492 62 G N 0.987 109.730 108.800 -0.095 0.000 2.179 62 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.260 62 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.260 62 G C 0.543 175.413 174.900 -0.050 0.000 0.977 62 G CA 0.509 45.527 45.100 -0.136 0.000 0.641 62 G HN 0.604 nan 8.290 nan 0.000 0.533 63 E N -1.365 118.853 120.200 0.029 0.000 2.204 63 E HA -0.073 4.277 4.350 -0.001 0.000 0.195 63 E C 1.903 178.628 176.600 0.208 0.000 0.990 63 E CA 1.197 57.655 56.400 0.097 0.000 0.821 63 E CB -0.003 29.764 29.700 0.112 0.000 0.750 63 E HN 0.792 nan 8.360 nan 0.000 0.477 64 W N 0.244 121.535 121.300 -0.014 0.000 2.850 64 W HA -0.011 4.648 4.660 -0.001 0.000 0.260 64 W C 2.279 178.789 176.519 -0.016 0.000 1.129 64 W CA 0.931 58.293 57.345 0.029 0.000 1.587 64 W CB 0.172 29.688 29.460 0.092 0.000 1.041 64 W HN 0.075 nan 8.180 nan 0.000 0.614 65 S N 0.181 115.829 115.700 -0.086 0.000 2.442 65 S HA -0.169 4.300 4.470 -0.001 0.000 0.236 65 S C 1.229 175.681 174.600 -0.246 0.000 1.007 65 S CA 1.006 59.053 58.200 -0.256 0.000 0.965 65 S CB -0.323 62.499 63.200 -0.630 0.000 0.773 65 S HN 0.255 nan 8.310 nan 0.000 0.504 66 Q N 0.455 120.135 119.800 -0.200 0.000 2.194 66 Q HA 0.370 4.709 4.340 -0.001 0.000 0.214 66 Q C -0.002 175.910 176.000 -0.148 0.000 0.838 66 Q CA -0.007 55.704 55.803 -0.153 0.000 0.972 66 Q CB 0.253 28.922 28.738 -0.115 0.000 1.131 66 Q HN 0.645 nan 8.270 nan 0.000 0.498 67 E N 2.172 122.248 120.200 -0.206 0.000 2.418 67 E HA 0.014 4.363 4.350 -0.001 0.000 0.261 67 E C -0.246 176.221 176.600 -0.221 0.000 1.070 67 E CA 0.122 56.393 56.400 -0.214 0.000 0.931 67 E CB 0.656 30.157 29.700 -0.333 0.000 0.954 67 E HN 0.153 nan 8.360 nan 0.000 0.439 68 T N 1.115 115.576 114.554 -0.155 0.000 2.932 68 T HA 0.298 4.647 4.350 -0.001 0.000 0.312 68 T C 1.198 175.803 174.700 -0.158 0.000 1.071 68 T CA -0.092 61.932 62.100 -0.126 0.000 1.128 68 T CB 1.250 70.071 68.868 -0.078 0.000 0.984 68 T HN 0.510 nan 8.240 nan 0.000 0.549 69 A N 1.453 124.200 122.820 -0.122 0.000 1.933 69 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 69 A C 2.312 179.850 177.584 -0.076 0.000 1.175 69 A CA 1.813 53.785 52.037 -0.110 0.000 0.628 69 A CB -1.034 17.926 19.000 -0.066 0.000 0.814 69 A HN 1.051 nan 8.150 nan 0.000 0.444 70 E N -0.792 119.375 120.200 -0.056 0.000 2.085 70 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 70 E C 1.914 178.500 176.600 -0.023 0.000 0.994 70 E CA 1.736 58.117 56.400 -0.031 0.000 0.801 70 E CB -0.144 29.541 29.700 -0.026 0.000 0.743 70 E HN 0.552 nan 8.360 nan 0.000 0.453 71 T N 0.450 114.977 114.554 -0.045 0.000 2.821 71 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 71 T C 1.795 176.495 174.700 0.001 0.000 1.046 71 T CA 0.860 62.947 62.100 -0.022 0.000 1.139 71 T CB -0.123 68.724 68.868 -0.035 0.000 0.871 71 T HN 0.173 nan 8.240 nan 0.000 0.454 72 R N 0.506 120.937 120.500 -0.115 0.000 2.091 72 R HA -0.055 4.284 4.340 -0.001 0.000 0.238 72 R C 2.844 179.240 176.300 0.161 0.000 1.136 72 R CA 1.367 57.416 56.100 -0.084 0.000 0.959 72 R CB -0.750 29.330 30.300 -0.367 0.000 0.856 72 R HN 0.430 nan 8.270 nan 0.000 0.437 73 G N 1.498 110.346 108.800 0.081 0.000 2.440 73 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 73 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 73 G C 1.244 176.217 174.900 0.122 0.000 1.154 73 G CA 0.644 45.807 45.100 0.105 0.000 0.767 73 G HN 0.270 nan 8.290 nan 0.000 0.552 74 K N 0.223 120.681 120.400 0.096 0.000 2.063 74 K HA -0.059 4.261 4.320 -0.001 0.000 0.208 74 K C 2.603 179.271 176.600 0.113 0.000 1.048 74 K CA 1.084 57.421 56.287 0.084 0.000 0.928 74 K CB -0.074 32.457 32.500 0.053 0.000 0.713 74 K HN 0.078 nan 8.250 nan 0.000 0.442 75 K N 0.684 121.192 120.400 0.180 0.000 2.057 75 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 75 K C 2.175 178.935 176.600 0.265 0.000 1.049 75 K CA 1.005 57.406 56.287 0.189 0.000 0.931 75 K CB -0.414 32.282 32.500 0.328 0.000 0.714 75 K HN 0.000 nan 8.250 nan 0.000 0.440 76 V N 1.355 121.471 119.914 0.338 0.000 2.407 76 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 76 V C 2.589 178.816 176.094 0.222 0.000 1.055 76 V CA 1.687 64.184 62.300 0.329 0.000 1.049 76 V CB -0.523 31.521 31.823 0.369 0.000 0.662 76 V HN 0.321 nan 8.190 nan 0.000 0.455 77 R N 0.377 120.976 120.500 0.165 0.000 2.081 77 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 77 R C 2.298 178.645 176.300 0.078 0.000 1.131 77 R CA 1.582 57.747 56.100 0.109 0.000 0.960 77 R CB -0.438 29.912 30.300 0.084 0.000 0.856 77 R HN 0.478 nan 8.270 nan 0.000 0.436 78 A N 0.997 123.856 122.820 0.066 0.000 1.933 78 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 78 A C 2.117 179.701 177.584 0.000 0.000 1.175 78 A CA 1.431 53.487 52.037 0.032 0.000 0.628 78 A CB -0.491 18.513 19.000 0.007 0.000 0.814 78 A HN 0.369 nan 8.150 nan 0.000 0.444 79 I N -0.227 120.319 120.570 -0.039 0.000 2.179 79 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 79 I C 3.009 178.981 176.117 -0.242 0.000 1.088 79 I CA 1.084 62.245 61.300 -0.231 0.000 1.357 79 I CB -0.490 37.189 38.000 -0.535 0.000 1.051 79 I HN 0.355 nan 8.210 nan 0.000 0.409 80 A N 0.757 123.510 122.820 -0.111 0.000 1.917 80 A HA -0.287 4.032 4.320 -0.001 0.000 0.219 80 A C 1.942 179.686 177.584 0.267 0.000 1.182 80 A CA 2.399 54.480 52.037 0.073 0.000 0.633 80 A CB -0.716 18.281 19.000 -0.006 0.000 0.819 80 A HN 0.387 nan 8.150 nan 0.000 0.448 81 D N -0.243 120.263 120.400 0.177 0.000 2.117 81 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 81 D C 1.938 178.300 176.300 0.103 0.000 0.987 81 D CA 1.124 55.224 54.000 0.166 0.000 0.829 81 D CB -0.215 40.646 40.800 0.101 0.000 0.961 81 D HN 0.301 nan 8.370 nan 0.000 0.460 82 K N 0.552 120.998 120.400 0.078 0.000 2.032 82 K HA -0.101 4.218 4.320 -0.001 0.000 0.209 82 K C 2.140 178.842 176.600 0.170 0.000 1.048 82 K CA 0.457 56.819 56.287 0.125 0.000 0.927 82 K CB -0.355 32.186 32.500 0.068 0.000 0.712 82 K HN 0.209 nan 8.250 nan 0.000 0.441 83 I N 1.457 122.092 120.570 0.108 0.000 2.163 83 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 83 I C 2.440 178.628 176.117 0.119 0.000 1.085 83 I CA 1.378 62.757 61.300 0.131 0.000 1.347 83 I CB -0.900 37.206 38.000 0.176 0.000 1.044 83 I HN 0.231 nan 8.210 nan 0.000 0.408 84 K N 1.044 121.495 120.400 0.086 0.000 2.057 84 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 84 K C 1.986 178.550 176.600 -0.060 0.000 1.049 84 K CA 1.449 57.697 56.287 -0.066 0.000 0.931 84 K CB 0.037 32.354 32.500 -0.305 0.000 0.714 84 K HN 0.309 nan 8.250 nan 0.000 0.440 85 E N -0.436 119.719 120.200 -0.075 0.000 2.070 85 E HA -0.192 4.158 4.350 -0.001 0.000 0.197 85 E C 1.109 177.514 176.600 -0.325 0.000 1.004 85 E CA 1.163 57.430 56.400 -0.222 0.000 0.805 85 E CB -0.062 29.445 29.700 -0.322 0.000 0.744 85 E HN 0.444 nan 8.360 nan 0.000 0.451 86 H N -0.427 118.643 119.070 0.000 0.000 2.524 86 H HA 0.180 4.735 4.556 -0.002 0.000 0.299 86 H C 1.466 176.790 175.328 -0.007 0.000 1.074 86 H CA 0.017 56.063 56.048 -0.003 0.000 1.115 86 H CB 0.298 30.055 29.762 -0.010 0.000 1.522 86 H HN 0.085 nan 8.280 nan 0.000 0.543 87 R N 1.607 122.144 120.500 0.061 0.000 2.091 87 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 87 R C 2.092 178.361 176.300 -0.053 0.000 1.136 87 R CA 1.795 57.917 56.100 0.036 0.000 0.959 87 R CB 0.137 30.487 30.300 0.084 0.000 0.856 87 R HN 0.375 nan 8.270 nan 0.000 0.437 88 E N -0.277 119.944 120.200 0.035 0.000 2.051 88 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 88 E C 1.830 178.394 176.600 -0.059 0.000 0.991 88 E CA 1.264 57.670 56.400 0.010 0.000 0.799 88 E CB -0.199 29.599 29.700 0.163 0.000 0.748 88 E HN 0.477 nan 8.360 nan 0.000 0.449 89 A N 1.062 123.891 122.820 0.014 0.000 1.902 89 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 89 A C 2.241 179.808 177.584 -0.029 0.000 1.181 89 A CA 1.354 53.401 52.037 0.017 0.000 0.623 89 A CB -0.733 18.305 19.000 0.063 0.000 0.818 89 A HN 0.329 nan 8.150 nan 0.000 0.443 90 L N -0.820 120.382 121.223 -0.036 0.000 2.017 90 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 90 L C 3.112 179.904 176.870 -0.130 0.000 1.073 90 L CA 1.129 55.935 54.840 -0.057 0.000 0.745 90 L CB -0.544 41.505 42.059 -0.016 0.000 0.894 90 L HN 0.428 nan 8.230 nan 0.000 0.432 91 A N 0.020 122.682 122.820 -0.264 0.000 1.902 91 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 91 A C 2.397 179.817 177.584 -0.272 0.000 1.181 91 A CA 1.499 53.291 52.037 -0.409 0.000 0.623 91 A CB -0.466 17.929 19.000 -1.008 0.000 0.818 91 A HN 0.322 nan 8.150 nan 0.000 0.443 92 R N -0.646 119.766 120.500 -0.147 0.000 2.075 92 R HA -0.007 4.333 4.340 -0.001 0.000 0.232 92 R C 2.060 178.412 176.300 0.088 0.000 1.126 92 R CA 1.334 57.485 56.100 0.085 0.000 0.963 92 R CB -0.514 29.901 30.300 0.192 0.000 0.858 92 R HN 0.499 nan 8.270 nan 0.000 0.435 93 L N 0.385 121.609 121.223 0.001 0.000 2.046 93 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 93 L C 2.436 179.279 176.870 -0.045 0.000 1.077 93 L CA 1.223 56.052 54.840 -0.019 0.000 0.747 93 L CB -0.300 41.726 42.059 -0.055 0.000 0.896 93 L HN 0.145 nan 8.230 nan 0.000 0.432 94 E N -0.308 119.839 120.200 -0.089 0.000 2.106 94 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 94 E C 2.066 178.567 176.600 -0.166 0.000 0.984 94 E CA 1.611 57.941 56.400 -0.115 0.000 0.806 94 E CB -0.015 29.603 29.700 -0.138 0.000 0.750 94 E HN 0.232 nan 8.360 nan 0.000 0.458 95 T N 0.517 114.925 114.554 -0.244 0.000 2.777 95 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 95 T C 1.638 176.174 174.700 -0.273 0.000 1.040 95 T CA 1.064 62.929 62.100 -0.393 0.000 1.141 95 T CB -0.295 68.128 68.868 -0.742 0.000 0.868 95 T HN 0.101 nan 8.240 nan 0.000 0.444 96 L N 1.396 122.581 121.223 -0.063 0.000 2.046 96 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 96 L C 2.008 178.915 176.870 0.061 0.000 1.077 96 L CA 1.874 56.803 54.840 0.149 0.000 0.747 96 L CB -0.526 41.667 42.059 0.224 0.000 0.896 96 L HN 0.095 nan 8.230 nan 0.000 0.432 97 D N -1.830 118.577 120.400 0.012 0.000 2.162 97 D HA -0.102 4.537 4.640 -0.001 0.000 0.203 97 D C 1.962 178.276 176.300 0.023 0.000 0.967 97 D CA 1.539 55.550 54.000 0.020 0.000 0.840 97 D CB 0.241 41.048 40.800 0.011 0.000 0.972 97 D HN 0.532 nan 8.370 nan 0.000 0.482 98 T N -4.526 110.026 114.554 -0.003 0.000 2.985 98 T HA 0.376 4.725 4.350 -0.001 0.000 0.254 98 T C 1.623 176.353 174.700 0.049 0.000 1.021 98 T CA 0.829 62.956 62.100 0.045 0.000 0.957 98 T CB 0.875 69.762 68.868 0.032 0.000 1.047 98 T HN 0.136 nan 8.240 nan 0.000 0.511 99 G N 2.521 111.299 108.800 -0.037 0.000 2.225 99 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.254 99 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.254 99 G C 0.124 174.960 174.900 -0.107 0.000 0.988 99 G CA 0.355 45.428 45.100 -0.045 0.000 0.625 99 G HN 1.021 nan 8.290 nan 0.000 0.527 100 K N 1.186 121.452 120.400 -0.223 0.000 2.276 100 K HA 0.491 4.810 4.320 -0.001 0.000 0.259 100 K C 0.850 177.272 176.600 -0.296 0.000 1.001 100 K CA 0.204 56.287 56.287 -0.341 0.000 0.927 100 K CB 0.130 32.184 32.500 -0.743 0.000 0.969 100 K HN 0.538 nan 8.250 nan 0.000 0.490 101 T N -0.117 114.301 114.554 -0.228 0.000 2.932 101 T HA -0.036 4.313 4.350 -0.001 0.000 0.312 101 T C 1.068 175.633 174.700 -0.224 0.000 1.071 101 T CA -0.683 61.297 62.100 -0.200 0.000 1.128 101 T CB 0.598 69.388 68.868 -0.130 0.000 0.984 101 T HN 0.593 nan 8.240 nan 0.000 0.549 102 L N 1.233 122.335 121.223 -0.201 0.000 2.083 102 L HA 0.003 4.342 4.340 -0.001 0.000 0.209 102 L C 2.677 179.585 176.870 0.064 0.000 1.083 102 L CA 2.063 56.837 54.840 -0.110 0.000 0.752 102 L CB -1.110 40.939 42.059 -0.016 0.000 0.899 102 L HN 1.003 nan 8.230 nan 0.000 0.433 103 E N -0.650 119.563 120.200 0.021 0.000 2.110 103 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 103 E C 1.944 178.536 176.600 -0.014 0.000 0.988 103 E CA 1.426 57.844 56.400 0.030 0.000 0.804 103 E CB -0.058 29.614 29.700 -0.045 0.000 0.745 103 E HN 0.638 nan 8.360 nan 0.000 0.458 104 E N -0.052 120.080 120.200 -0.114 0.000 2.077 104 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 104 E C 2.231 178.774 176.600 -0.095 0.000 0.989 104 E CA 1.250 57.559 56.400 -0.153 0.000 0.800 104 E CB 0.026 29.577 29.700 -0.248 0.000 0.746 104 E HN 0.130 nan 8.360 nan 0.000 0.452 105 S N 0.155 115.776 115.700 -0.130 0.000 2.368 105 S HA -0.149 4.321 4.470 -0.001 0.000 0.225 105 S C 1.720 176.263 174.600 -0.096 0.000 1.030 105 S CA 0.952 59.060 58.200 -0.153 0.000 0.999 105 S CB -0.309 62.742 63.200 -0.248 0.000 0.844 105 S HN 0.295 nan 8.310 nan 0.000 0.459 106 Y N 1.778 122.043 120.300 -0.058 0.000 2.224 106 Y HA -0.136 4.413 4.550 -0.002 0.000 0.289 106 Y C 2.614 178.511 175.900 -0.004 0.000 1.146 106 Y CA 0.815 58.901 58.100 -0.024 0.000 1.182 106 Y CB -0.670 37.772 38.460 -0.031 0.000 0.983 106 Y HN 0.273 nan 8.280 nan 0.000 0.524 107 A N 0.033 122.934 122.820 0.134 0.000 1.902 107 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 107 A C 1.902 179.550 177.584 0.108 0.000 1.181 107 A CA 2.016 54.105 52.037 0.087 0.000 0.623 107 A CB -0.728 18.284 19.000 0.020 0.000 0.818 107 A HN 0.356 nan 8.150 nan 0.000 0.443 108 D N -0.339 120.121 120.400 0.101 0.000 2.123 108 D HA -0.162 4.478 4.640 -0.001 0.000 0.196 108 D C 1.978 178.360 176.300 0.138 0.000 0.992 108 D CA 1.372 55.454 54.000 0.136 0.000 0.833 108 D CB -0.306 40.559 40.800 0.108 0.000 0.954 108 D HN 0.283 nan 8.370 nan 0.000 0.455 109 M N 0.742 120.402 119.600 0.100 0.000 2.159 109 M HA -0.102 4.377 4.480 -0.001 0.000 0.263 109 M C 1.420 177.829 176.300 0.182 0.000 1.063 109 M CA 1.084 56.456 55.300 0.120 0.000 1.110 109 M CB -0.842 31.788 32.600 0.051 0.000 1.374 109 M HN -0.028 nan 8.290 nan 0.000 0.411 110 D N 0.899 121.402 120.400 0.171 0.000 2.097 110 D HA -0.156 4.483 4.640 -0.001 0.000 0.195 110 D C 1.620 178.058 176.300 0.231 0.000 0.989 110 D CA 1.234 55.344 54.000 0.184 0.000 0.827 110 D CB -0.324 40.558 40.800 0.136 0.000 0.966 110 D HN 0.300 nan 8.370 nan 0.000 0.456 111 D N 0.394 120.924 120.400 0.217 0.000 2.123 111 D HA -0.109 4.530 4.640 -0.001 0.000 0.196 111 D C 2.330 178.802 176.300 0.287 0.000 0.992 111 D CA 0.488 54.642 54.000 0.256 0.000 0.833 111 D CB -0.291 40.694 40.800 0.309 0.000 0.954 111 D HN 0.280 nan 8.370 nan 0.000 0.455 112 I N 0.207 120.951 120.570 0.291 0.000 2.226 112 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 112 I C 2.401 178.771 176.117 0.422 0.000 1.100 112 I CA 1.035 62.534 61.300 0.332 0.000 1.374 112 I CB -0.283 37.903 38.000 0.309 0.000 1.057 112 I HN 0.056 nan 8.210 nan 0.000 0.413 113 H N 1.612 120.852 119.070 0.283 0.000 2.319 113 H HA -0.191 4.364 4.556 -0.001 0.000 0.297 113 H C 2.023 177.509 175.328 0.262 0.000 1.097 113 H CA 2.117 58.325 56.048 0.267 0.000 1.285 113 H CB -0.072 29.794 29.762 0.173 0.000 1.368 113 H HN 0.214 nan 8.280 nan 0.000 0.495 114 N N -0.154 118.649 118.700 0.172 0.000 2.244 114 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 114 N C 2.069 177.634 175.510 0.092 0.000 1.016 114 N CA 1.085 54.186 53.050 0.085 0.000 0.866 114 N CB -0.194 38.372 38.487 0.133 0.000 0.980 114 N HN 0.248 nan 8.380 nan 0.000 0.430 115 V N 0.682 120.680 119.914 0.140 0.000 2.270 115 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 115 V C 1.876 178.072 176.094 0.170 0.000 1.043 115 V CA 1.338 63.710 62.300 0.121 0.000 1.014 115 V CB -0.644 31.264 31.823 0.140 0.000 0.645 115 V HN 0.080 nan 8.190 nan 0.000 0.447 116 F N -0.934 119.136 119.950 0.199 0.000 2.171 116 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 116 F C 2.335 178.194 175.800 0.097 0.000 1.090 116 F CA 2.142 60.244 58.000 0.170 0.000 1.293 116 F CB -0.574 38.486 39.000 0.100 0.000 1.013 116 F HN 0.124 nan 8.300 nan 0.000 0.486 117 M N -1.035 118.649 119.600 0.141 0.000 2.132 117 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 117 M C 2.052 178.381 176.300 0.049 0.000 1.065 117 M CA 1.602 56.918 55.300 0.026 0.000 1.122 117 M CB -0.910 31.608 32.600 -0.136 0.000 1.365 117 M HN 0.258 nan 8.290 nan 0.000 0.411 118 Y N -0.264 119.981 120.300 -0.092 0.000 2.114 118 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 118 Y C 1.656 177.409 175.900 -0.246 0.000 1.143 118 Y CA 2.080 60.047 58.100 -0.220 0.000 1.135 118 Y CB -0.620 37.609 38.460 -0.385 0.000 0.980 118 Y HN 0.220 nan 8.280 nan 0.000 0.499 119 F N 0.042 120.030 119.950 0.062 0.000 2.234 119 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 119 F C 2.563 178.344 175.800 -0.032 0.000 1.087 119 F CA 0.996 58.979 58.000 -0.027 0.000 1.340 119 F CB -1.177 37.852 39.000 0.048 0.000 1.031 119 F HN 0.178 nan 8.300 nan 0.000 0.500 120 A N 0.285 123.208 122.820 0.171 0.000 1.908 120 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 120 A C 2.587 180.183 177.584 0.020 0.000 1.181 120 A CA 1.948 54.059 52.037 0.123 0.000 0.627 120 A CB -1.553 17.523 19.000 0.128 0.000 0.818 120 A HN 0.395 nan 8.150 nan 0.000 0.445 121 G N -1.102 107.655 108.800 -0.071 0.000 2.448 121 G HA2 0.024 3.983 3.960 -0.001 0.000 0.218 121 G HA3 0.024 3.983 3.960 -0.001 0.000 0.218 121 G C 1.348 176.148 174.900 -0.167 0.000 1.135 121 G CA 0.995 46.023 45.100 -0.121 0.000 0.784 121 G HN 0.430 nan 8.290 nan 0.000 0.543 122 L N 1.010 122.087 121.223 -0.243 0.000 2.341 122 L HA 0.417 4.756 4.340 -0.001 0.000 0.214 122 L C 2.908 179.747 176.870 -0.051 0.000 1.115 122 L CA 1.185 55.901 54.840 -0.208 0.000 0.820 122 L CB -0.418 41.449 42.059 -0.321 0.000 0.944 122 L HN 0.196 nan 8.230 nan 0.000 0.452 123 A N 0.216 123.036 122.820 -0.000 0.000 1.917 123 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 123 A C 1.635 179.219 177.584 -0.000 0.000 1.182 123 A CA 2.046 54.100 52.037 0.029 0.000 0.633 123 A CB -0.776 18.249 19.000 0.042 0.000 0.819 123 A HN 0.657 nan 8.150 nan 0.000 0.448 124 D N -2.174 118.216 120.400 -0.016 0.000 2.463 124 D HA 0.087 4.726 4.640 -0.001 0.000 0.224 124 D C 0.708 176.996 176.300 -0.021 0.000 1.174 124 D CA 0.008 53.995 54.000 -0.021 0.000 0.829 124 D CB 0.085 40.870 40.800 -0.025 0.000 0.993 124 D HN 0.187 nan 8.370 nan 0.000 0.497 125 K N 0.169 120.556 120.400 -0.022 0.000 2.374 125 K HA 0.127 4.447 4.320 -0.001 0.000 0.196 125 K C -0.181 176.413 176.600 -0.010 0.000 1.023 125 K CA 0.082 56.355 56.287 -0.023 0.000 1.103 125 K CB 0.810 33.286 32.500 -0.041 0.000 0.848 125 K HN 0.143 nan 8.250 nan 0.000 0.528 126 D N -0.725 119.674 120.400 -0.001 0.000 2.333 126 D HA 0.175 4.814 4.640 -0.001 0.000 0.225 126 D C 0.323 176.629 176.300 0.011 0.000 1.345 126 D CA -0.209 53.795 54.000 0.007 0.000 0.971 126 D CB 0.754 41.563 40.800 0.015 0.000 1.451 126 D HN 0.034 nan 8.370 nan 0.000 0.561 127 G N 1.319 110.122 108.800 0.006 0.000 3.088 127 G HA2 0.544 4.504 3.960 -0.001 0.000 0.217 127 G HA3 0.544 4.504 3.960 -0.001 0.000 0.217 127 G C 0.836 175.744 174.900 0.013 0.000 1.159 127 G CA 0.410 45.515 45.100 0.008 0.000 0.760 127 G HN 0.922 nan 8.290 nan 0.000 0.550 128 G N -0.126 108.682 108.800 0.013 0.000 2.293 128 G HA2 0.327 4.287 3.960 -0.001 0.000 0.282 128 G HA3 0.327 4.287 3.960 -0.001 0.000 0.282 128 G C -1.054 173.851 174.900 0.009 0.000 1.299 128 G CA -0.202 44.906 45.100 0.014 0.000 1.018 128 G HN 0.813 nan 8.290 nan 0.000 0.478 129 E N -1.593 118.611 120.200 0.008 0.000 2.408 129 E HA 0.728 5.077 4.350 -0.001 0.000 0.275 129 E C -0.966 175.637 176.600 0.005 0.000 0.935 129 E CA -1.257 55.144 56.400 0.002 0.000 0.775 129 E CB 1.692 31.388 29.700 -0.007 0.000 1.277 129 E HN 0.399 nan 8.360 nan 0.000 0.455 130 M N 2.235 121.837 119.600 0.003 0.000 2.180 130 M HA 0.397 4.876 4.480 -0.001 0.000 0.350 130 M C -0.746 175.553 176.300 -0.002 0.000 1.125 130 M CA -0.841 54.464 55.300 0.007 0.000 1.031 130 M CB 0.839 33.444 32.600 0.008 0.000 1.623 130 M HN 0.587 nan 8.290 nan 0.000 0.451 131 I N 2.221 122.790 120.570 -0.002 0.000 2.437 131 I HA 0.227 4.396 4.170 -0.001 0.000 0.298 131 I C 0.332 176.447 176.117 -0.003 0.000 0.984 131 I CA -0.436 60.853 61.300 -0.018 0.000 1.214 131 I CB 1.353 39.320 38.000 -0.055 0.000 1.365 131 I HN 0.492 nan 8.210 nan 0.000 0.469 132 D N 4.096 124.492 120.400 -0.008 0.000 2.383 132 D HA 0.014 4.653 4.640 -0.001 0.000 0.245 132 D C 0.252 176.554 176.300 0.002 0.000 1.263 132 D CA 0.282 54.282 54.000 -0.001 0.000 0.936 132 D CB 0.820 41.618 40.800 -0.004 0.000 1.053 132 D HN 0.395 nan 8.370 nan 0.000 0.507 133 S N 3.386 119.094 115.700 0.015 0.000 2.549 133 S HA 0.155 4.625 4.470 -0.001 0.000 0.279 133 S C -1.108 173.502 174.600 0.017 0.000 1.321 133 S CA -1.143 57.071 58.200 0.024 0.000 1.054 133 S CB 1.063 64.289 63.200 0.044 0.000 0.899 133 S HN 0.316 nan 8.310 nan 0.000 0.497 134 P HA 0.196 nan 4.420 nan 0.000 0.245 134 P C -0.279 177.029 177.300 0.015 0.000 1.212 134 P CA 0.380 63.487 63.100 0.011 0.000 0.774 134 P CB -0.065 31.640 31.700 0.008 0.000 0.999 135 I N 1.784 122.366 120.570 0.021 0.000 2.321 135 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 135 I C -2.316 173.811 176.117 0.017 0.000 0.998 135 I CA -2.916 58.395 61.300 0.019 0.000 1.227 135 I CB 1.360 39.373 38.000 0.023 0.000 1.368 135 I HN -0.285 nan 8.210 nan 0.000 0.466 136 P HA 0.019 nan 4.420 nan 0.000 0.268 136 P C -0.542 176.765 177.300 0.012 0.000 1.208 136 P CA 0.201 63.308 63.100 0.012 0.000 0.777 136 P CB 0.307 32.013 31.700 0.010 0.000 0.875 137 D N -0.916 119.491 120.400 0.011 0.000 2.723 137 D HA -0.121 4.518 4.640 -0.001 0.000 0.236 137 D C -0.177 176.130 176.300 0.011 0.000 1.138 137 D CA 1.453 55.459 54.000 0.010 0.000 0.676 137 D CB -1.628 39.177 40.800 0.009 0.000 1.069 137 D HN 0.552 nan 8.370 nan 0.000 0.430 138 T N -3.094 111.469 114.554 0.015 0.000 2.896 138 T HA 0.608 4.957 4.350 -0.001 0.000 0.297 138 T C -0.588 174.126 174.700 0.023 0.000 1.108 138 T CA -0.976 61.134 62.100 0.017 0.000 1.004 138 T CB 3.459 72.340 68.868 0.022 0.000 1.159 138 T HN 0.100 nan 8.240 nan 0.000 0.499 139 E N 0.560 120.775 120.200 0.024 0.000 2.199 139 E HA 0.538 4.887 4.350 -0.001 0.000 0.269 139 E C -1.325 175.310 176.600 0.058 0.000 0.899 139 E CA -0.738 55.682 56.400 0.033 0.000 0.772 139 E CB 1.746 31.459 29.700 0.022 0.000 1.155 139 E HN 0.671 nan 8.360 nan 0.000 0.408 140 S N 4.050 119.801 115.700 0.085 0.000 2.605 140 S HA 0.467 4.936 4.470 -0.001 0.000 0.308 140 S C -1.357 173.318 174.600 0.126 0.000 1.113 140 S CA -0.811 57.490 58.200 0.169 0.000 1.049 140 S CB 0.470 63.787 63.200 0.194 0.000 1.001 140 S HN 0.509 nan 8.310 nan 0.000 0.480 141 K N 3.540 124.042 120.400 0.169 0.000 2.477 141 K HA 0.626 4.946 4.320 -0.001 0.000 0.255 141 K C -1.391 175.293 176.600 0.140 0.000 0.952 141 K CA -1.080 55.271 56.287 0.106 0.000 0.826 141 K CB 1.108 33.647 32.500 0.065 0.000 1.331 141 K HN 0.375 nan 8.250 nan 0.000 0.437 142 I N 2.643 123.252 120.570 0.066 0.000 2.355 142 I HA 0.261 4.430 4.170 -0.001 0.000 0.288 142 I C -0.436 175.707 176.117 0.044 0.000 0.999 142 I CA -1.053 60.281 61.300 0.056 0.000 1.163 142 I CB 1.231 39.235 38.000 0.008 0.000 1.316 142 I HN 0.444 nan 8.210 nan 0.000 0.454 143 V N 6.798 126.743 119.914 0.051 0.000 2.427 143 V HA 0.406 4.525 4.120 -0.001 0.000 0.286 143 V C 0.281 176.398 176.094 0.039 0.000 1.034 143 V CA -0.933 61.390 62.300 0.038 0.000 0.893 143 V CB 1.760 33.604 31.823 0.036 0.000 0.982 143 V HN 0.495 nan 8.190 nan 0.000 0.452 144 K N 4.198 124.619 120.400 0.035 0.000 2.234 144 K HA 0.537 4.857 4.320 -0.001 0.000 0.277 144 K C -0.208 176.421 176.600 0.049 0.000 1.038 144 K CA -0.147 56.165 56.287 0.042 0.000 0.888 144 K CB 1.397 33.921 32.500 0.040 0.000 1.091 144 K HN 0.713 nan 8.250 nan 0.000 0.467 145 E N 3.184 123.424 120.200 0.066 0.000 2.235 145 E HA 0.354 4.703 4.350 -0.001 0.000 0.265 145 E C -2.337 174.338 176.600 0.126 0.000 0.940 145 E CA -2.289 54.166 56.400 0.092 0.000 0.819 145 E CB 1.386 31.152 29.700 0.109 0.000 1.206 145 E HN 0.238 nan 8.360 nan 0.000 0.409 146 P HA -0.105 nan 4.420 nan 0.000 0.266 146 P C 0.769 178.183 177.300 0.189 0.000 1.195 146 P CA 0.226 63.466 63.100 0.233 0.000 0.768 146 P CB 0.779 32.706 31.700 0.378 0.000 0.838 147 V N 2.243 122.222 119.914 0.109 0.000 2.490 147 V HA -0.032 4.087 4.120 -0.001 0.000 0.250 147 V C 1.220 177.236 176.094 -0.131 0.000 1.061 147 V CA 2.863 65.166 62.300 0.004 0.000 1.064 147 V CB -1.066 30.741 31.823 -0.026 0.000 0.670 147 V HN 1.031 nan 8.190 nan 0.000 0.461 148 G N -1.258 107.387 108.800 -0.258 0.000 2.178 148 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.147 148 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.147 148 G C -0.616 173.942 174.900 -0.571 0.000 1.245 148 G CA -0.147 44.419 45.100 -0.889 0.000 1.275 148 G HN 0.484 nan 8.290 nan 0.000 0.491 149 V N 1.824 121.492 119.914 -0.410 0.000 2.432 149 V HA 0.572 4.691 4.120 -0.001 0.000 0.275 149 V C 0.694 176.753 176.094 -0.057 0.000 1.043 149 V CA 0.152 62.358 62.300 -0.157 0.000 0.925 149 V CB 0.774 32.527 31.823 -0.117 0.000 0.985 149 V HN 1.536 nan 8.190 nan 0.000 0.466 150 V N 2.340 122.269 119.914 0.026 0.000 2.604 150 V HA 0.911 5.031 4.120 -0.001 0.000 0.305 150 V C -0.124 176.020 176.094 0.082 0.000 1.043 150 V CA -0.402 61.943 62.300 0.075 0.000 0.888 150 V CB 1.938 33.887 31.823 0.210 0.000 0.995 150 V HN 0.883 nan 8.190 nan 0.000 0.429 151 T N 2.140 116.738 114.554 0.075 0.000 2.855 151 T HA 0.773 5.123 4.350 -0.001 0.000 0.281 151 T C -0.643 174.125 174.700 0.113 0.000 1.007 151 T CA -0.610 61.537 62.100 0.079 0.000 1.009 151 T CB 1.722 70.624 68.868 0.055 0.000 0.983 151 T HN 0.894 nan 8.240 nan 0.000 0.455 152 Q N 1.767 121.640 119.800 0.122 0.000 2.274 152 Q HA 0.589 4.928 4.340 -0.001 0.000 0.268 152 Q C -1.257 174.826 176.000 0.138 0.000 1.015 152 Q CA -0.562 55.327 55.803 0.144 0.000 0.775 152 Q CB 2.567 31.392 28.738 0.145 0.000 1.256 152 Q HN 0.696 nan 8.270 nan 0.000 0.442 153 I N 2.006 122.680 120.570 0.173 0.000 2.466 153 I HA 0.444 4.614 4.170 -0.001 0.000 0.289 153 I C -0.119 176.061 176.117 0.106 0.000 1.026 153 I CA -0.601 60.819 61.300 0.200 0.000 1.078 153 I CB 2.144 40.356 38.000 0.353 0.000 1.249 153 I HN 0.609 nan 8.210 nan 0.000 0.429 154 T N 3.423 118.003 114.554 0.043 0.000 2.930 154 T HA 0.739 5.088 4.350 -0.001 0.000 0.290 154 T C -2.828 171.824 174.700 -0.079 0.000 1.052 154 T CA -1.987 60.070 62.100 -0.071 0.000 1.017 154 T CB 2.430 71.272 68.868 -0.043 0.000 1.137 154 T HN 0.263 nan 8.240 nan 0.000 0.511 155 P HA 0.376 nan 4.420 nan 0.000 0.307 155 P C 0.459 177.684 177.300 -0.125 0.000 1.307 155 P CA -0.914 62.044 63.100 -0.237 0.000 0.814 155 P CB 1.278 32.688 31.700 -0.484 0.000 1.311 156 W N 0.451 121.747 121.300 -0.007 0.000 3.197 156 W HA 0.055 4.715 4.660 -0.001 0.000 0.274 156 W C 0.799 177.329 176.519 0.018 0.000 1.297 156 W CA 0.230 57.577 57.345 0.002 0.000 1.662 156 W CB -1.411 28.043 29.460 -0.010 0.000 1.106 156 W HN 0.223 nan 8.180 nan 0.000 0.663 157 N N 1.601 120.247 118.700 -0.090 0.000 2.251 157 N HA -0.161 4.579 4.740 -0.001 0.000 0.181 157 N C -0.201 175.269 175.510 -0.066 0.000 1.019 157 N CA 0.880 53.961 53.050 0.052 0.000 0.862 157 N CB -1.130 37.254 38.487 -0.172 0.000 0.992 157 N HN 0.133 nan 8.380 nan 0.000 0.429 158 Y N 0.198 120.473 120.300 -0.043 0.000 2.511 158 Y HA 0.448 4.997 4.550 -0.001 0.000 0.356 158 Y C -1.820 173.990 175.900 -0.148 0.000 1.002 158 Y CA -2.174 55.864 58.100 -0.103 0.000 1.127 158 Y CB 1.786 40.122 38.460 -0.207 0.000 1.137 158 Y HN 0.015 nan 8.280 nan 0.000 0.652 159 P HA -0.226 nan 4.420 nan 0.000 0.213 159 P C 1.833 179.127 177.300 -0.010 0.000 1.170 159 P CA 1.163 64.265 63.100 0.004 0.000 0.902 159 P CB 0.533 32.256 31.700 0.039 0.000 0.789 160 L N -1.413 119.815 121.223 0.008 0.000 2.109 160 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 160 L C 2.247 179.108 176.870 -0.015 0.000 1.086 160 L CA 1.415 56.274 54.840 0.032 0.000 0.760 160 L CB -1.546 40.549 42.059 0.059 0.000 0.910 160 L HN -0.160 nan 8.230 nan 0.000 0.437 161 L N -0.522 120.657 121.223 -0.074 0.000 1.989 161 L HA -0.270 4.069 4.340 -0.001 0.000 0.211 161 L C 2.470 178.974 176.870 -0.610 0.000 1.071 161 L CA 1.921 56.610 54.840 -0.251 0.000 0.749 161 L CB -0.607 41.291 42.059 -0.267 0.000 0.890 161 L HN 0.389 nan 8.230 nan 0.000 0.431 162 Q N -0.848 118.614 119.800 -0.562 0.000 2.167 162 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 162 Q C 2.240 178.083 176.000 -0.262 0.000 0.970 162 Q CA 1.473 56.919 55.803 -0.595 0.000 0.855 162 Q CB -0.357 28.131 28.738 -0.416 0.000 0.911 162 Q HN 0.706 nan 8.270 nan 0.000 0.438 163 A N 0.916 123.660 122.820 -0.127 0.000 1.898 163 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 163 A C 2.254 179.841 177.584 0.005 0.000 1.181 163 A CA 1.713 53.747 52.037 -0.004 0.000 0.620 163 A CB -0.750 18.294 19.000 0.073 0.000 0.819 163 A HN 0.454 nan 8.150 nan 0.000 0.442 164 S N -1.487 114.205 115.700 -0.012 0.000 2.382 164 S HA -0.204 4.265 4.470 -0.001 0.000 0.228 164 S C 1.687 176.241 174.600 -0.076 0.000 1.027 164 S CA 1.326 59.464 58.200 -0.104 0.000 0.991 164 S CB -0.724 62.451 63.200 -0.041 0.000 0.823 164 S HN 0.636 nan 8.310 nan 0.000 0.469 165 W N 2.508 123.695 121.300 -0.189 0.000 2.392 165 W HA 0.195 4.855 4.660 -0.001 0.000 0.279 165 W C 2.299 178.705 176.519 -0.187 0.000 1.225 165 W CA 0.294 57.550 57.345 -0.148 0.000 1.233 165 W CB -0.430 28.969 29.460 -0.103 0.000 1.122 165 W HN 0.461 nan 8.180 nan 0.000 0.561 166 K N -0.736 119.696 120.400 0.053 0.000 2.190 166 K HA 0.078 4.398 4.320 -0.001 0.000 0.202 166 K C 1.930 178.383 176.600 -0.245 0.000 1.045 166 K CA 0.765 57.044 56.287 -0.014 0.000 0.976 166 K CB -0.438 32.123 32.500 0.102 0.000 0.849 166 K HN 0.016 nan 8.250 nan 0.000 0.468 167 I N 1.778 122.249 120.570 -0.165 0.000 2.179 167 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 167 I C 2.584 178.556 176.117 -0.242 0.000 1.088 167 I CA 1.127 62.331 61.300 -0.160 0.000 1.357 167 I CB -0.401 37.602 38.000 0.004 0.000 1.051 167 I HN 0.136 nan 8.210 nan 0.000 0.409 168 A N 1.668 124.261 122.820 -0.380 0.000 1.865 168 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 168 A C 0.077 177.397 177.584 -0.439 0.000 1.191 168 A CA 2.029 53.858 52.037 -0.346 0.000 0.623 168 A CB -2.058 16.643 19.000 -0.498 0.000 0.826 168 A HN 0.296 nan 8.150 nan 0.000 0.444 169 P HA -0.029 nan 4.420 nan 0.000 0.220 169 P C 1.603 178.511 177.300 -0.654 0.000 1.152 169 P CA 1.702 64.263 63.100 -0.898 0.000 0.812 169 P CB -0.161 30.897 31.700 -1.071 0.000 0.792 170 A N 0.675 122.930 122.820 -0.941 0.000 1.865 170 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 170 A C 2.424 179.949 177.584 -0.098 0.000 1.191 170 A CA 1.576 53.247 52.037 -0.610 0.000 0.623 170 A CB -1.674 17.021 19.000 -0.509 0.000 0.826 170 A HN 0.112 nan 8.150 nan 0.000 0.444 171 L N -0.939 120.258 121.223 -0.044 0.000 2.046 171 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 171 L C 3.122 180.232 176.870 0.400 0.000 1.077 171 L CA 1.015 56.006 54.840 0.252 0.000 0.747 171 L CB -0.604 41.503 42.059 0.080 0.000 0.896 171 L HN 0.459 nan 8.230 nan 0.000 0.432 172 A N 0.201 123.130 122.820 0.182 0.000 1.940 172 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 172 A C 2.340 179.973 177.584 0.082 0.000 1.176 172 A CA 2.330 54.461 52.037 0.156 0.000 0.631 172 A CB -0.919 18.166 19.000 0.142 0.000 0.814 172 A HN 0.534 nan 8.150 nan 0.000 0.446 173 T N -4.553 110.046 114.554 0.075 0.000 3.088 173 T HA 0.387 4.737 4.350 -0.001 0.000 0.259 173 T C 1.346 176.081 174.700 0.058 0.000 1.122 173 T CA 1.120 63.263 62.100 0.072 0.000 1.095 173 T CB 0.079 69.022 68.868 0.126 0.000 0.930 173 T HN 1.751 nan 8.240 nan 0.000 0.508 174 G N 0.230 109.078 108.800 0.080 0.000 2.131 174 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.223 174 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.223 174 G C 0.228 175.369 174.900 0.402 0.000 0.990 174 G CA -0.344 44.767 45.100 0.018 0.000 0.671 174 G HN 0.707 nan 8.290 nan 0.000 0.521 175 C N 0.695 120.252 119.300 0.428 0.000 2.580 175 C HA 0.716 5.175 4.460 -0.001 0.000 0.371 175 C C 1.270 176.519 174.990 0.432 0.000 1.308 175 C CA 0.086 59.366 59.018 0.436 0.000 2.428 175 C CB 1.237 29.145 27.740 0.280 0.000 2.529 175 C HN 0.569 nan 8.230 nan 0.000 0.657 176 S N 0.847 116.758 115.700 0.351 0.000 2.509 176 S HA 0.780 5.250 4.470 -0.001 0.000 0.297 176 S C -0.665 174.002 174.600 0.111 0.000 1.118 176 S CA -0.520 57.805 58.200 0.209 0.000 1.074 176 S CB 1.125 64.466 63.200 0.236 0.000 1.038 176 S HN 0.562 nan 8.310 nan 0.000 0.498 177 L N 0.239 121.500 121.223 0.064 0.000 2.350 177 L HA 0.958 5.298 4.340 -0.001 0.000 0.260 177 L C -1.236 175.679 176.870 0.076 0.000 1.015 177 L CA -0.920 53.961 54.840 0.069 0.000 0.821 177 L CB 1.442 43.533 42.059 0.054 0.000 1.370 177 L HN 0.332 nan 8.230 nan 0.000 0.416 178 V N 2.646 122.605 119.914 0.075 0.000 2.443 178 V HA 0.578 4.698 4.120 -0.001 0.000 0.293 178 V C -0.213 175.930 176.094 0.081 0.000 1.021 178 V CA -0.264 62.072 62.300 0.060 0.000 0.848 178 V CB 1.419 33.249 31.823 0.013 0.000 0.998 178 V HN 0.973 nan 8.190 nan 0.000 0.424 179 M N 4.835 124.491 119.600 0.095 0.000 2.436 179 M HA 0.620 5.099 4.480 -0.001 0.000 0.331 179 M C -0.839 175.477 176.300 0.026 0.000 1.135 179 M CA -0.433 54.928 55.300 0.101 0.000 0.987 179 M CB 1.710 34.436 32.600 0.209 0.000 1.687 179 M HN 0.568 nan 8.290 nan 0.000 0.445 180 K N 6.586 127.019 120.400 0.054 0.000 2.604 180 K HA 0.532 4.852 4.320 -0.001 0.000 0.247 180 K C -2.890 173.752 176.600 0.069 0.000 0.956 180 K CA -1.696 54.616 56.287 0.042 0.000 0.896 180 K CB 1.885 34.416 32.500 0.051 0.000 1.131 180 K HN 0.386 nan 8.250 nan 0.000 0.440 181 P HA -0.005 nan 4.420 nan 0.000 0.274 181 P C -0.279 177.076 177.300 0.092 0.000 1.256 181 P CA -0.356 62.789 63.100 0.077 0.000 0.795 181 P CB 0.882 32.629 31.700 0.079 0.000 1.038 182 S N 0.481 116.247 115.700 0.111 0.000 2.558 182 S HA -0.048 4.421 4.470 -0.001 0.000 0.293 182 S C 1.595 176.272 174.600 0.128 0.000 1.292 182 S CA -0.273 58.018 58.200 0.152 0.000 1.063 182 S CB -0.194 63.149 63.200 0.238 0.000 0.831 182 S HN 0.503 nan 8.310 nan 0.000 0.499 183 E N 5.129 125.397 120.200 0.113 0.000 2.265 183 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 183 E C 1.623 178.271 176.600 0.081 0.000 0.996 183 E CA 1.424 57.875 56.400 0.085 0.000 0.832 183 E CB -0.581 29.158 29.700 0.065 0.000 0.756 183 E HN 0.935 nan 8.360 nan 0.000 0.491 184 I N -0.427 120.196 120.570 0.088 0.000 3.603 184 I HA 0.153 4.322 4.170 -0.001 0.000 0.297 184 I C 0.553 176.718 176.117 0.080 0.000 1.269 184 I CA 0.660 61.995 61.300 0.058 0.000 1.361 184 I CB 0.112 38.108 38.000 -0.007 0.000 1.063 184 I HN -0.041 nan 8.210 nan 0.000 0.448 185 T N -1.080 113.543 114.554 0.116 0.000 3.542 185 T HA 0.448 4.797 4.350 -0.001 0.000 0.276 185 T C -2.133 172.627 174.700 0.100 0.000 1.412 185 T CA -1.122 61.045 62.100 0.111 0.000 1.664 185 T CB 0.877 69.835 68.868 0.149 0.000 0.863 185 T HN 0.093 nan 8.240 nan 0.000 0.661 186 P HA 0.297 nan 4.420 nan 0.000 0.267 186 P C 1.457 178.811 177.300 0.090 0.000 1.289 186 P CA -0.278 62.883 63.100 0.101 0.000 0.866 186 P CB 0.340 32.111 31.700 0.118 0.000 1.309 187 L N 0.488 121.743 121.223 0.053 0.000 2.017 187 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 187 L C 2.627 179.499 176.870 0.003 0.000 1.073 187 L CA 2.503 57.337 54.840 -0.011 0.000 0.745 187 L CB -1.958 40.044 42.059 -0.094 0.000 0.894 187 L HN 0.083 nan 8.230 nan 0.000 0.432 188 T N -4.758 109.807 114.554 0.018 0.000 2.951 188 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 188 T C 1.752 176.506 174.700 0.089 0.000 1.073 188 T CA 1.375 63.494 62.100 0.031 0.000 1.134 188 T CB -0.523 68.356 68.868 0.019 0.000 0.884 188 T HN 0.207 nan 8.240 nan 0.000 0.479 189 T N 2.209 116.835 114.554 0.119 0.000 2.812 189 T HA 0.167 4.517 4.350 -0.001 0.000 0.264 189 T C 1.905 176.770 174.700 0.276 0.000 1.042 189 T CA 0.955 63.176 62.100 0.201 0.000 1.140 189 T CB -0.400 68.570 68.868 0.169 0.000 0.870 189 T HN 0.368 nan 8.240 nan 0.000 0.445 190 I N 0.911 121.602 120.570 0.203 0.000 2.163 190 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 190 I C 2.803 179.073 176.117 0.255 0.000 1.085 190 I CA 1.273 62.733 61.300 0.266 0.000 1.347 190 I CB -0.282 37.832 38.000 0.189 0.000 1.044 190 I HN 0.064 nan 8.210 nan 0.000 0.408 191 R N 0.724 121.294 120.500 0.117 0.000 2.091 191 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 191 R C 2.207 178.547 176.300 0.066 0.000 1.136 191 R CA 1.602 57.730 56.100 0.045 0.000 0.959 191 R CB -0.909 29.381 30.300 -0.016 0.000 0.856 191 R HN 0.260 nan 8.270 nan 0.000 0.437 192 V N -0.132 119.846 119.914 0.105 0.000 2.515 192 V HA -0.145 3.974 4.120 -0.001 0.000 0.250 192 V C 1.611 177.696 176.094 -0.015 0.000 1.058 192 V CA 1.596 63.916 62.300 0.034 0.000 1.064 192 V CB -0.440 31.413 31.823 0.052 0.000 0.675 192 V HN 0.311 nan 8.190 nan 0.000 0.461 193 F N 0.891 120.853 119.950 0.020 0.000 2.186 193 F HA -0.095 4.431 4.527 -0.001 0.000 0.299 193 F C 2.398 178.192 175.800 -0.009 0.000 1.090 193 F CA 2.030 60.000 58.000 -0.051 0.000 1.307 193 F CB -0.317 38.633 39.000 -0.083 0.000 1.019 193 F HN 0.248 nan 8.300 nan 0.000 0.489 194 E N 0.108 120.487 120.200 0.299 0.000 2.110 194 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 194 E C 2.258 178.877 176.600 0.032 0.000 0.988 194 E CA 1.298 57.816 56.400 0.198 0.000 0.804 194 E CB -0.326 29.402 29.700 0.046 0.000 0.745 194 E HN 0.412 nan 8.360 nan 0.000 0.458 195 L N 0.089 121.289 121.223 -0.039 0.000 2.072 195 L HA -0.127 4.212 4.340 -0.001 0.000 0.205 195 L C 2.576 179.409 176.870 -0.061 0.000 1.079 195 L CA 0.860 55.651 54.840 -0.080 0.000 0.752 195 L CB -0.314 41.678 42.059 -0.112 0.000 0.906 195 L HN 0.185 nan 8.230 nan 0.000 0.436 196 M N -0.452 119.084 119.600 -0.106 0.000 2.159 196 M HA -0.237 4.242 4.480 -0.001 0.000 0.263 196 M C 2.226 178.560 176.300 0.056 0.000 1.063 196 M CA 1.644 56.912 55.300 -0.053 0.000 1.110 196 M CB -0.455 31.975 32.600 -0.284 0.000 1.374 196 M HN 0.268 nan 8.290 nan 0.000 0.411 197 E N 0.934 121.122 120.200 -0.019 0.000 2.118 197 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 197 E C 1.576 178.202 176.600 0.044 0.000 0.992 197 E CA 1.363 57.783 56.400 0.034 0.000 0.804 197 E CB 0.090 29.801 29.700 0.019 0.000 0.741 197 E HN 0.570 nan 8.360 nan 0.000 0.458 198 E N -0.205 120.008 120.200 0.020 0.000 2.152 198 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 198 E C 2.181 178.759 176.600 -0.038 0.000 0.983 198 E CA 0.965 57.368 56.400 0.004 0.000 0.818 198 E CB 0.210 29.913 29.700 0.006 0.000 0.758 198 E HN 0.155 nan 8.360 nan 0.000 0.467 199 V N 0.405 120.283 119.914 -0.060 0.000 2.343 199 V HA -0.098 4.021 4.120 -0.001 0.000 0.247 199 V C 1.089 176.994 176.094 -0.315 0.000 1.051 199 V CA 1.359 63.565 62.300 -0.157 0.000 1.036 199 V CB -0.756 30.989 31.823 -0.130 0.000 0.654 199 V HN 0.500 nan 8.190 nan 0.000 0.451 200 G N -0.099 108.501 108.800 -0.334 0.000 3.251 200 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.680 200 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.680 200 G C -0.897 173.576 174.900 -0.711 0.000 1.129 200 G CA -0.733 44.163 45.100 -0.341 0.000 0.994 200 G HN 0.186 nan 8.290 nan 0.000 0.450 201 F N 2.300 122.162 119.950 -0.147 0.000 2.563 201 F HA 0.694 5.220 4.527 -0.001 0.000 0.316 201 F C -1.677 174.046 175.800 -0.128 0.000 1.076 201 F CA -2.268 55.573 58.000 -0.265 0.000 0.921 201 F CB 2.014 40.737 39.000 -0.462 0.000 1.209 201 F HN 0.256 nan 8.300 nan 0.000 0.462 202 P HA 0.003 nan 4.420 nan 0.000 0.267 202 P C -0.687 176.653 177.300 0.067 0.000 1.200 202 P CA -0.474 62.677 63.100 0.084 0.000 0.772 202 P CB 0.515 32.294 31.700 0.132 0.000 0.855 203 K N 1.709 122.138 120.400 0.047 0.000 2.511 203 K HA 0.054 4.373 4.320 -0.001 0.000 0.277 203 K C 1.141 177.748 176.600 0.011 0.000 1.025 203 K CA 1.243 57.539 56.287 0.014 0.000 1.112 203 K CB -0.833 31.666 32.500 -0.001 0.000 0.859 203 K HN 0.794 nan 8.250 nan 0.000 0.485 204 G N 2.857 111.648 108.800 -0.015 0.000 2.217 204 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.246 204 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.246 204 G C 0.902 175.815 174.900 0.021 0.000 0.990 204 G CA 0.526 45.621 45.100 -0.007 0.000 0.627 204 G HN 0.676 nan 8.290 nan 0.000 0.522 205 T N 0.702 115.261 114.554 0.009 0.000 2.821 205 T HA 0.201 4.550 4.350 -0.001 0.000 0.267 205 T C 1.352 175.999 174.700 -0.089 0.000 1.046 205 T CA 1.431 63.502 62.100 -0.048 0.000 1.139 205 T CB -0.129 68.611 68.868 -0.212 0.000 0.871 205 T HN 1.097 nan 8.240 nan 0.000 0.454 206 I N -0.690 119.847 120.570 -0.055 0.000 2.509 206 I HA 0.607 4.776 4.170 -0.001 0.000 0.293 206 I C -1.337 174.940 176.117 0.268 0.000 1.020 206 I CA -1.080 60.246 61.300 0.043 0.000 1.088 206 I CB 2.006 39.913 38.000 -0.156 0.000 1.267 206 I HN -0.139 nan 8.210 nan 0.000 0.430 207 N N 5.516 124.401 118.700 0.307 0.000 2.264 207 N HA 0.507 5.246 4.740 -0.001 0.000 0.288 207 N C -1.857 173.617 175.510 -0.059 0.000 1.094 207 N CA -0.560 52.575 53.050 0.142 0.000 0.817 207 N CB 3.218 41.703 38.487 -0.002 0.000 1.604 207 N HN 0.544 nan 8.380 nan 0.000 0.473 208 L N 2.709 123.702 121.223 -0.383 0.000 2.343 208 L HA 0.573 4.912 4.340 -0.001 0.000 0.278 208 L C -1.337 175.368 176.870 -0.276 0.000 0.996 208 L CA -0.560 53.901 54.840 -0.632 0.000 0.831 208 L CB 0.862 42.181 42.059 -1.233 0.000 1.232 208 L HN 0.426 nan 8.230 nan 0.000 0.413 209 I N 6.111 126.583 120.570 -0.163 0.000 2.412 209 I HA 0.403 4.572 4.170 -0.001 0.000 0.296 209 I C -0.428 175.664 176.117 -0.042 0.000 0.987 209 I CA -0.535 60.719 61.300 -0.076 0.000 1.180 209 I CB 1.661 39.636 38.000 -0.041 0.000 1.340 209 I HN 0.547 nan 8.210 nan 0.000 0.455 210 L N 5.403 126.620 121.223 -0.010 0.000 2.333 210 L HA 0.883 5.222 4.340 -0.001 0.000 0.280 210 L C 0.237 177.122 176.870 0.025 0.000 1.004 210 L CA -0.278 54.575 54.840 0.020 0.000 0.820 210 L CB 1.870 43.955 42.059 0.044 0.000 1.247 210 L HN 0.808 nan 8.230 nan 0.000 0.416 211 G N 1.544 110.364 108.800 0.034 0.000 2.316 211 G HA2 0.479 4.438 3.960 -0.001 0.000 0.296 211 G HA3 0.479 4.438 3.960 -0.001 0.000 0.296 211 G C -1.625 173.299 174.900 0.039 0.000 1.399 211 G CA -0.273 44.846 45.100 0.032 0.000 0.833 211 G HN 0.705 nan 8.290 nan 0.000 0.565 212 A N -0.371 122.468 122.820 0.032 0.000 2.462 212 A HA 0.572 4.892 4.320 -0.001 0.000 0.243 212 A C 1.781 179.384 177.584 0.032 0.000 1.076 212 A CA 1.179 53.236 52.037 0.033 0.000 0.773 212 A CB 0.485 19.498 19.000 0.021 0.000 1.010 212 A HN 2.181 nan 8.150 nan 0.000 0.493 213 G N 0.856 109.679 108.800 0.038 0.000 2.422 213 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 213 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 213 G C 1.682 176.580 174.900 -0.004 0.000 1.146 213 G CA 1.409 46.526 45.100 0.028 0.000 0.769 213 G HN 1.216 nan 8.290 nan 0.000 0.547 214 S N -0.216 115.475 115.700 -0.014 0.000 2.481 214 S HA 0.019 4.488 4.470 -0.001 0.000 0.231 214 S C 1.884 176.482 174.600 -0.004 0.000 0.996 214 S CA 1.450 59.632 58.200 -0.030 0.000 0.942 214 S CB 0.120 63.300 63.200 -0.034 0.000 0.768 214 S HN 0.623 nan 8.310 nan 0.000 0.520 215 E N 1.013 121.217 120.200 0.007 0.000 2.065 215 E HA -0.025 4.324 4.350 -0.001 0.000 0.191 215 E C 1.830 178.441 176.600 0.020 0.000 0.960 215 E CA 1.098 57.506 56.400 0.013 0.000 0.824 215 E CB 0.241 29.949 29.700 0.013 0.000 0.793 215 E HN 0.479 nan 8.360 nan 0.000 0.459 216 V N -2.415 117.512 119.914 0.022 0.000 3.661 216 V HA 0.411 4.530 4.120 -0.001 0.000 0.271 216 V C 1.913 178.026 176.094 0.032 0.000 1.315 216 V CA 0.643 62.958 62.300 0.025 0.000 1.072 216 V CB 0.193 32.029 31.823 0.020 0.000 0.830 216 V HN 0.272 nan 8.190 nan 0.000 0.443 217 G N 0.825 109.644 108.800 0.031 0.000 2.446 217 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 217 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 217 G C 1.108 176.033 174.900 0.042 0.000 1.168 217 G CA 1.307 46.426 45.100 0.033 0.000 0.771 217 G HN 0.499 nan 8.290 nan 0.000 0.551 218 D N -0.030 120.404 120.400 0.057 0.000 2.178 218 D HA -0.069 4.570 4.640 -0.001 0.000 0.201 218 D C 2.754 179.085 176.300 0.053 0.000 0.980 218 D CA 0.463 54.504 54.000 0.068 0.000 0.842 218 D CB -0.258 40.593 40.800 0.085 0.000 0.948 218 D HN 0.198 nan 8.370 nan 0.000 0.472 219 V N 0.575 120.522 119.914 0.056 0.000 2.343 219 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 219 V C 2.407 178.552 176.094 0.084 0.000 1.051 219 V CA 1.416 63.762 62.300 0.078 0.000 1.036 219 V CB -0.388 31.477 31.823 0.069 0.000 0.654 219 V HN 0.241 nan 8.190 nan 0.000 0.451 220 M N 0.587 120.220 119.600 0.055 0.000 2.296 220 M HA -0.108 4.372 4.480 -0.001 0.000 0.265 220 M C 2.182 178.512 176.300 0.050 0.000 1.064 220 M CA 1.916 57.244 55.300 0.048 0.000 1.109 220 M CB -0.344 32.282 32.600 0.043 0.000 1.396 220 M HN 0.574 nan 8.290 nan 0.000 0.430 221 S N -1.374 114.349 115.700 0.038 0.000 2.503 221 S HA 0.131 4.600 4.470 -0.001 0.000 0.217 221 S C 1.601 176.207 174.600 0.011 0.000 0.999 221 S CA 0.438 58.648 58.200 0.016 0.000 0.914 221 S CB -0.001 63.192 63.200 -0.012 0.000 0.782 221 S HN 0.460 nan 8.310 nan 0.000 0.520 222 G N -0.201 108.615 108.800 0.026 0.000 3.192 222 G HA2 0.225 4.184 3.960 -0.001 0.000 0.239 222 G HA3 0.225 4.184 3.960 -0.001 0.000 0.239 222 G C -0.061 174.843 174.900 0.005 0.000 1.084 222 G CA -0.490 44.610 45.100 0.001 0.000 0.784 222 G HN 0.584 nan 8.290 nan 0.000 0.540 223 H N 1.142 120.201 119.070 -0.017 0.000 2.683 223 H HA 0.247 4.802 4.556 -0.001 0.000 0.339 223 H C 2.000 177.317 175.328 -0.020 0.000 1.081 223 H CA 0.174 56.213 56.048 -0.015 0.000 1.432 223 H CB 1.249 31.005 29.762 -0.010 0.000 1.462 223 H HN 0.181 nan 8.280 nan 0.000 0.557 224 K N 2.976 123.230 120.400 -0.245 0.000 2.280 224 K HA -0.102 4.217 4.320 -0.001 0.000 0.202 224 K C 0.655 177.302 176.600 0.079 0.000 1.047 224 K CA 1.399 57.643 56.287 -0.072 0.000 0.942 224 K CB 0.303 32.726 32.500 -0.128 0.000 0.739 224 K HN 0.506 nan 8.250 nan 0.000 0.457 225 E N 1.205 121.597 120.200 0.321 0.000 2.502 225 E HA 0.040 4.389 4.350 -0.001 0.000 0.194 225 E C -0.111 176.535 176.600 0.077 0.000 1.062 225 E CA 0.135 56.648 56.400 0.189 0.000 0.867 225 E CB 0.261 30.070 29.700 0.181 0.000 0.888 225 E HN 0.121 nan 8.360 nan 0.000 0.510 226 V N 2.272 122.237 119.914 0.085 0.000 2.498 226 V HA 0.046 4.165 4.120 -0.001 0.000 0.279 226 V C 1.019 177.102 176.094 -0.018 0.000 1.048 226 V CA -0.107 62.203 62.300 0.018 0.000 0.967 226 V CB 1.599 33.446 31.823 0.040 0.000 0.988 226 V HN 0.005 nan 8.190 nan 0.000 0.473 227 D N 2.713 123.078 120.400 -0.057 0.000 2.355 227 D HA 0.202 4.841 4.640 -0.001 0.000 0.206 227 D C -0.007 176.252 176.300 -0.068 0.000 1.010 227 D CA 0.578 54.534 54.000 -0.074 0.000 0.875 227 D CB 1.315 42.041 40.800 -0.123 0.000 0.966 227 D HN 0.331 nan 8.370 nan 0.000 0.512 228 L N 0.563 121.751 121.223 -0.059 0.000 2.526 228 L HA 0.324 4.663 4.340 -0.001 0.000 0.263 228 L C -1.816 175.037 176.870 -0.028 0.000 0.943 228 L CA -0.662 54.135 54.840 -0.072 0.000 0.859 228 L CB 2.389 44.358 42.059 -0.150 0.000 1.313 228 L HN -0.355 nan 8.230 nan 0.000 0.406 229 V N 3.249 123.154 119.914 -0.015 0.000 2.384 229 V HA 0.700 4.819 4.120 -0.001 0.000 0.287 229 V C -0.132 175.993 176.094 0.051 0.000 1.020 229 V CA -0.363 61.955 62.300 0.030 0.000 0.850 229 V CB 1.472 33.311 31.823 0.027 0.000 0.987 229 V HN 0.801 nan 8.190 nan 0.000 0.436 230 S N 5.447 121.208 115.700 0.102 0.000 2.552 230 S HA 0.754 5.223 4.470 -0.001 0.000 0.314 230 S C -1.278 173.454 174.600 0.220 0.000 1.099 230 S CA -0.425 57.855 58.200 0.133 0.000 1.070 230 S CB 0.641 63.922 63.200 0.135 0.000 0.998 230 S HN 0.572 nan 8.310 nan 0.000 0.474 231 F N 3.640 123.618 119.950 0.046 0.000 2.556 231 F HA 0.690 5.216 4.527 -0.001 0.000 0.314 231 F C -0.652 175.172 175.800 0.039 0.000 1.106 231 F CA -0.189 57.835 58.000 0.039 0.000 0.911 231 F CB 2.175 41.194 39.000 0.031 0.000 1.190 231 F HN 0.435 nan 8.300 nan 0.000 0.448 232 T N 4.343 118.355 114.554 -0.904 0.000 2.841 232 T HA 0.803 5.152 4.350 -0.001 0.000 0.285 232 T C -0.171 173.754 174.700 -1.290 0.000 0.991 232 T CA -0.180 61.438 62.100 -0.804 0.000 0.966 232 T CB 1.268 69.912 68.868 -0.373 0.000 0.962 232 T HN 1.127 nan 8.240 nan 0.000 0.438 233 G N 1.751 109.972 108.800 -0.966 0.000 2.512 233 G HA2 0.548 4.507 3.960 -0.001 0.000 0.181 233 G HA3 0.548 4.507 3.960 -0.001 0.000 0.181 233 G C -0.401 174.390 174.900 -0.183 0.000 1.173 233 G CA -0.142 44.602 45.100 -0.594 0.000 0.988 233 G HN 0.879 nan 8.290 nan 0.000 0.485 234 G N -0.657 108.178 108.800 0.058 0.000 2.502 234 G HA2 0.571 4.531 3.960 -0.001 0.000 0.305 234 G HA3 0.571 4.531 3.960 -0.001 0.000 0.305 234 G C 1.377 176.399 174.900 0.204 0.000 1.190 234 G CA -0.019 45.122 45.100 0.069 0.000 0.933 234 G HN 1.249 nan 8.290 nan 0.000 0.503 235 I N -1.372 119.299 120.570 0.169 0.000 2.286 235 I HA -0.076 4.094 4.170 -0.001 0.000 0.248 235 I C 2.269 178.453 176.117 0.112 0.000 1.115 235 I CA 1.954 63.350 61.300 0.160 0.000 1.392 235 I CB -0.386 37.699 38.000 0.142 0.000 1.065 235 I HN 0.740 nan 8.210 nan 0.000 0.418 236 E N 1.784 122.041 120.200 0.096 0.000 2.072 236 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 236 E C 1.949 178.572 176.600 0.038 0.000 0.985 236 E CA 1.927 58.364 56.400 0.062 0.000 0.801 236 E CB -0.602 29.131 29.700 0.055 0.000 0.750 236 E HN 0.423 nan 8.360 nan 0.000 0.452 237 T N 0.268 114.838 114.554 0.026 0.000 2.821 237 T HA -0.037 4.312 4.350 -0.001 0.000 0.267 237 T C 1.794 176.347 174.700 -0.245 0.000 1.046 237 T CA 1.168 63.209 62.100 -0.099 0.000 1.139 237 T CB -0.514 68.313 68.868 -0.068 0.000 0.871 237 T HN 0.484 nan 8.240 nan 0.000 0.454 238 G N 1.723 110.455 108.800 -0.114 0.000 2.418 238 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 238 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 238 G C 1.606 176.474 174.900 -0.054 0.000 1.158 238 G CA 0.647 45.687 45.100 -0.099 0.000 0.771 238 G HN 0.429 nan 8.290 nan 0.000 0.545 239 K N -0.595 119.808 120.400 0.005 0.000 2.057 239 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 239 K C 2.201 178.798 176.600 -0.006 0.000 1.049 239 K CA 1.266 57.555 56.287 0.004 0.000 0.931 239 K CB -0.287 32.225 32.500 0.019 0.000 0.714 239 K HN 0.495 nan 8.250 nan 0.000 0.440 240 H N 0.943 119.956 119.070 -0.094 0.000 2.353 240 H HA -0.048 4.508 4.556 -0.001 0.000 0.300 240 H C 1.874 177.131 175.328 -0.119 0.000 1.090 240 H CA 1.748 57.738 56.048 -0.096 0.000 1.327 240 H CB 0.006 29.709 29.762 -0.098 0.000 1.383 240 H HN 0.071 nan 8.280 nan 0.000 0.508 241 I N -0.183 120.353 120.570 -0.056 0.000 2.226 241 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 241 I C 2.662 178.713 176.117 -0.110 0.000 1.100 241 I CA 1.594 62.821 61.300 -0.121 0.000 1.374 241 I CB -0.245 37.595 38.000 -0.268 0.000 1.057 241 I HN 0.441 nan 8.210 nan 0.000 0.413 242 M N 0.804 120.350 119.600 -0.091 0.000 2.117 242 M HA -0.243 4.236 4.480 -0.001 0.000 0.262 242 M C 2.218 178.467 176.300 -0.085 0.000 1.065 242 M CA 1.893 57.153 55.300 -0.066 0.000 1.114 242 M CB -0.073 32.503 32.600 -0.040 0.000 1.361 242 M HN 0.012 nan 8.290 nan 0.000 0.408 243 K N -0.180 120.151 120.400 -0.115 0.000 2.097 243 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 243 K C 1.717 178.228 176.600 -0.149 0.000 1.049 243 K CA 1.568 57.777 56.287 -0.130 0.000 0.933 243 K CB -0.340 32.067 32.500 -0.156 0.000 0.717 243 K HN 0.348 nan 8.250 nan 0.000 0.442 244 N N 0.849 119.435 118.700 -0.190 0.000 2.216 244 N HA -0.075 4.664 4.740 -0.001 0.000 0.183 244 N C 1.527 176.982 175.510 -0.092 0.000 1.017 244 N CA 1.201 54.157 53.050 -0.156 0.000 0.861 244 N CB -0.084 38.303 38.487 -0.167 0.000 0.986 244 N HN 0.176 nan 8.380 nan 0.000 0.428 245 A N 0.362 123.136 122.820 -0.077 0.000 1.972 245 A HA 0.024 4.344 4.320 -0.001 0.000 0.219 245 A C 2.264 179.817 177.584 -0.051 0.000 1.169 245 A CA 1.731 53.737 52.037 -0.052 0.000 0.635 245 A CB -1.033 17.942 19.000 -0.043 0.000 0.810 245 A HN 0.363 nan 8.150 nan 0.000 0.446 246 A N 0.539 123.323 122.820 -0.060 0.000 2.024 246 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 246 A C 1.827 179.381 177.584 -0.051 0.000 1.164 246 A CA 1.724 53.729 52.037 -0.053 0.000 0.643 246 A CB -0.663 18.303 19.000 -0.057 0.000 0.806 246 A HN 0.577 nan 8.150 nan 0.000 0.451 247 N N 0.373 119.039 118.700 -0.057 0.000 2.205 247 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 247 N C 0.576 176.056 175.510 -0.049 0.000 1.015 247 N CA 1.676 54.693 53.050 -0.055 0.000 0.862 247 N CB -0.468 37.982 38.487 -0.062 0.000 0.986 247 N HN 0.712 nan 8.380 nan 0.000 0.429 248 N N -0.645 118.027 118.700 -0.046 0.000 2.235 248 N HA 0.160 4.899 4.740 -0.001 0.000 0.231 248 N C -0.554 174.935 175.510 -0.035 0.000 1.177 248 N CA -0.078 52.947 53.050 -0.041 0.000 0.874 248 N CB 1.219 39.681 38.487 -0.041 0.000 1.097 248 N HN -0.231 nan 8.380 nan 0.000 0.518 249 V N 0.436 120.328 119.914 -0.036 0.000 5.616 249 V HA -0.250 3.869 4.120 -0.001 0.000 0.301 249 V C -0.098 175.976 176.094 -0.034 0.000 0.564 249 V CA 1.006 63.286 62.300 -0.034 0.000 0.653 249 V CB -2.865 28.939 31.823 -0.030 0.000 0.372 249 V HN 0.340 nan 8.190 nan 0.000 1.029 250 T N 2.306 116.839 114.554 -0.035 0.000 2.817 250 T HA 0.259 4.608 4.350 -0.001 0.000 0.293 250 T C 0.622 175.299 174.700 -0.039 0.000 0.964 250 T CA -0.424 61.655 62.100 -0.035 0.000 1.085 250 T CB 0.622 69.473 68.868 -0.028 0.000 0.921 250 T HN 0.535 nan 8.240 nan 0.000 0.502 251 N N 2.606 121.278 118.700 -0.047 0.000 2.356 251 N HA 0.082 4.822 4.740 -0.001 0.000 0.252 251 N C -0.340 175.139 175.510 -0.051 0.000 1.241 251 N CA 0.249 53.266 53.050 -0.056 0.000 0.861 251 N CB 0.307 38.748 38.487 -0.077 0.000 1.075 251 N HN 0.460 nan 8.380 nan 0.000 0.461 252 I N -1.471 119.073 120.570 -0.043 0.000 2.545 252 I HA 0.663 4.832 4.170 -0.001 0.000 0.292 252 I C -0.476 175.629 176.117 -0.020 0.000 1.040 252 I CA -1.595 59.691 61.300 -0.022 0.000 1.068 252 I CB 1.648 39.644 38.000 -0.006 0.000 1.251 252 I HN 0.383 nan 8.210 nan 0.000 0.424 253 A N 6.796 129.616 122.820 0.001 0.000 2.319 253 A HA 0.942 5.261 4.320 -0.001 0.000 0.310 253 A C -1.023 176.613 177.584 0.088 0.000 1.152 253 A CA -0.509 51.538 52.037 0.017 0.000 0.783 253 A CB 0.812 19.799 19.000 -0.021 0.000 1.184 253 A HN 0.771 nan 8.150 nan 0.000 0.474 254 L N 1.621 122.903 121.223 0.098 0.000 2.431 254 L HA 0.627 4.966 4.340 -0.001 0.000 0.266 254 L C -0.468 176.472 176.870 0.115 0.000 0.978 254 L CA -0.648 54.286 54.840 0.157 0.000 0.822 254 L CB 2.279 44.442 42.059 0.174 0.000 1.310 254 L HN 0.689 nan 8.230 nan 0.000 0.409 255 E N 3.726 123.982 120.200 0.093 0.000 2.216 255 E HA 0.392 4.742 4.350 -0.001 0.000 0.260 255 E C -0.982 175.638 176.600 0.033 0.000 0.880 255 E CA -0.351 56.094 56.400 0.075 0.000 0.765 255 E CB 1.894 31.669 29.700 0.124 0.000 1.174 255 E HN 0.632 nan 8.360 nan 0.000 0.417 256 L N 3.466 124.739 121.223 0.085 0.000 3.202 256 L HA 0.412 4.751 4.340 -0.001 0.000 0.278 256 L C 0.901 177.820 176.870 0.082 0.000 1.268 256 L CA -0.032 54.870 54.840 0.105 0.000 1.034 256 L CB 0.286 42.463 42.059 0.196 0.000 1.407 256 L HN 0.778 nan 8.230 nan 0.000 0.581 257 G N 0.200 109.014 108.800 0.024 0.000 2.660 257 G HA2 0.130 4.089 3.960 -0.001 0.000 0.215 257 G HA3 0.130 4.089 3.960 -0.001 0.000 0.215 257 G C -0.271 174.512 174.900 -0.196 0.000 1.345 257 G CA -0.442 44.631 45.100 -0.046 0.000 0.877 257 G HN 0.616 nan 8.290 nan 0.000 0.549 258 G N -1.534 106.970 108.800 -0.495 0.000 2.506 258 G HA2 0.684 4.643 3.960 -0.001 0.000 0.292 258 G HA3 0.684 4.643 3.960 -0.001 0.000 0.292 258 G C -1.426 173.074 174.900 -0.667 0.000 1.425 258 G CA 0.400 45.074 45.100 -0.709 0.000 0.788 258 G HN 1.301 nan 8.290 nan 0.000 0.490 259 K N 1.182 121.379 120.400 -0.339 0.000 2.562 259 K HA 0.342 4.661 4.320 -0.001 0.000 0.206 259 K C -0.630 175.976 176.600 0.010 0.000 1.033 259 K CA -0.720 55.527 56.287 -0.066 0.000 1.029 259 K CB -0.292 32.283 32.500 0.125 0.000 1.393 259 K HN 0.383 nan 8.250 nan 0.000 0.539 260 N N 5.310 124.030 118.700 0.032 0.000 2.408 260 N HA 0.248 4.987 4.740 -0.001 0.000 0.257 260 N C -2.542 173.050 175.510 0.136 0.000 1.064 260 N CA -1.386 51.718 53.050 0.090 0.000 0.952 260 N CB 1.164 39.769 38.487 0.196 0.000 1.093 260 N HN 0.406 nan 8.380 nan 0.000 0.490 261 P HA 0.141 nan 4.420 nan 0.000 0.278 261 P C -0.635 176.793 177.300 0.214 0.000 1.238 261 P CA -0.453 62.705 63.100 0.095 0.000 0.794 261 P CB 0.918 32.629 31.700 0.019 0.000 0.955 262 N N 2.930 121.734 118.700 0.174 0.000 2.626 262 N HA 0.293 5.033 4.740 -0.001 0.000 0.249 262 N C -1.012 174.571 175.510 0.122 0.000 1.021 262 N CA -0.574 52.624 53.050 0.247 0.000 0.886 262 N CB -0.140 38.397 38.487 0.083 0.000 1.149 262 N HN 0.272 nan 8.380 nan 0.000 0.517 263 I N 4.298 124.965 120.570 0.162 0.000 2.304 263 I HA 0.346 4.515 4.170 -0.001 0.000 0.291 263 I C 0.064 176.271 176.117 0.149 0.000 1.018 263 I CA -0.426 60.907 61.300 0.055 0.000 1.260 263 I CB 0.825 38.793 38.000 -0.055 0.000 1.390 263 I HN 0.309 nan 8.210 nan 0.000 0.475 264 I N 6.763 127.358 120.570 0.041 0.000 2.382 264 I HA 0.331 4.500 4.170 -0.001 0.000 0.285 264 I C -0.305 175.831 176.117 0.030 0.000 1.007 264 I CA -0.387 60.928 61.300 0.025 0.000 1.142 264 I CB 0.813 38.618 38.000 -0.325 0.000 1.289 264 I HN 0.342 nan 8.210 nan 0.000 0.453 265 F N 3.691 123.770 119.950 0.214 0.000 2.378 265 F HA 0.104 4.631 4.527 -0.001 0.000 0.319 265 F C 1.601 177.459 175.800 0.097 0.000 1.155 265 F CA -0.218 57.905 58.000 0.205 0.000 1.157 265 F CB 0.681 39.807 39.000 0.210 0.000 1.252 265 F HN 0.562 nan 8.300 nan 0.000 0.550 266 D N -0.985 119.574 120.400 0.264 0.000 2.347 266 D HA -0.135 4.505 4.640 -0.001 0.000 0.215 266 D C 0.685 177.097 176.300 0.188 0.000 0.976 266 D CA 0.699 54.798 54.000 0.166 0.000 0.884 266 D CB -0.648 40.206 40.800 0.089 0.000 0.915 266 D HN 0.503 nan 8.370 nan 0.000 0.526 267 D N 0.035 120.566 120.400 0.219 0.000 2.388 267 D HA 0.223 4.863 4.640 -0.001 0.000 0.221 267 D C 0.427 176.840 176.300 0.188 0.000 1.133 267 D CA -0.567 53.531 54.000 0.164 0.000 0.831 267 D CB -0.416 40.449 40.800 0.108 0.000 0.962 267 D HN 0.239 nan 8.370 nan 0.000 0.502 268 A N 0.445 123.413 122.820 0.247 0.000 2.366 268 A HA 0.214 4.533 4.320 -0.001 0.000 0.249 268 A C 0.311 178.034 177.584 0.233 0.000 1.084 268 A CA -0.418 51.775 52.037 0.261 0.000 0.794 268 A CB 0.241 19.415 19.000 0.289 0.000 1.034 268 A HN 0.177 nan 8.150 nan 0.000 0.491 269 D N 1.086 121.621 120.400 0.224 0.000 2.349 269 D HA -0.010 4.630 4.640 -0.001 0.000 0.266 269 D C 0.669 177.096 176.300 0.212 0.000 1.293 269 D CA -0.015 54.106 54.000 0.202 0.000 0.926 269 D CB -0.087 40.821 40.800 0.180 0.000 1.090 269 D HN 0.416 nan 8.370 nan 0.000 0.502 270 F N 4.057 124.060 119.950 0.089 0.000 2.069 270 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 270 F C 1.964 177.806 175.800 0.070 0.000 1.113 270 F CA 1.360 59.412 58.000 0.087 0.000 1.214 270 F CB 0.329 39.378 39.000 0.081 0.000 0.978 270 F HN 0.385 nan 8.300 nan 0.000 0.474 271 E N 0.207 120.534 120.200 0.211 0.000 2.150 271 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 271 E C 2.183 178.774 176.600 -0.015 0.000 0.985 271 E CA 0.940 57.388 56.400 0.080 0.000 0.814 271 E CB -0.747 29.036 29.700 0.139 0.000 0.752 271 E HN 0.441 nan 8.360 nan 0.000 0.466 272 L N 1.023 122.261 121.223 0.024 0.000 2.046 272 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 272 L C 2.201 178.986 176.870 -0.141 0.000 1.077 272 L CA 2.123 56.975 54.840 0.020 0.000 0.747 272 L CB -0.642 41.497 42.059 0.133 0.000 0.896 272 L HN 0.026 nan 8.230 nan 0.000 0.432 273 A N -1.132 121.535 122.820 -0.254 0.000 1.933 273 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 273 A C 2.245 179.612 177.584 -0.363 0.000 1.175 273 A CA 1.856 53.548 52.037 -0.574 0.000 0.628 273 A CB -1.065 17.669 19.000 -0.444 0.000 0.814 273 A HN 0.324 nan 8.150 nan 0.000 0.444 274 V N 0.442 120.189 119.914 -0.278 0.000 2.295 274 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 274 V C 2.328 178.306 176.094 -0.193 0.000 1.049 274 V CA 2.514 64.662 62.300 -0.253 0.000 1.024 274 V CB -0.862 30.740 31.823 -0.369 0.000 0.648 274 V HN 0.758 nan 8.190 nan 0.000 0.447 275 D N -0.617 119.693 120.400 -0.152 0.000 2.116 275 D HA -0.230 4.409 4.640 -0.001 0.000 0.193 275 D C 2.213 178.433 176.300 -0.132 0.000 0.998 275 D CA 1.447 55.390 54.000 -0.094 0.000 0.836 275 D CB -0.040 40.739 40.800 -0.036 0.000 0.951 275 D HN 0.332 nan 8.370 nan 0.000 0.449 276 Q N -0.485 119.202 119.800 -0.189 0.000 2.311 276 Q HA 0.063 4.402 4.340 -0.001 0.000 0.203 276 Q C 2.076 177.860 176.000 -0.360 0.000 0.954 276 Q CA 0.931 56.609 55.803 -0.208 0.000 0.885 276 Q CB -0.010 28.685 28.738 -0.072 0.000 0.963 276 Q HN 0.427 nan 8.270 nan 0.000 0.471 277 A N 0.715 123.334 122.820 -0.334 0.000 1.929 277 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 277 A C 2.193 179.592 177.584 -0.307 0.000 1.176 277 A CA 0.692 52.545 52.037 -0.308 0.000 0.628 277 A CB -0.517 18.465 19.000 -0.029 0.000 0.816 277 A HN 0.274 nan 8.150 nan 0.000 0.444 278 L N -0.001 121.115 121.223 -0.179 0.000 2.017 278 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 278 L C 2.327 179.093 176.870 -0.173 0.000 1.073 278 L CA 1.354 56.182 54.840 -0.020 0.000 0.745 278 L CB -0.693 41.395 42.059 0.048 0.000 0.894 278 L HN 0.358 nan 8.230 nan 0.000 0.432 279 N N 0.419 118.895 118.700 -0.373 0.000 2.120 279 N HA -0.141 4.599 4.740 -0.001 0.000 0.188 279 N C 1.866 176.934 175.510 -0.736 0.000 1.024 279 N CA 1.601 54.123 53.050 -0.881 0.000 0.852 279 N CB -0.812 37.179 38.487 -0.826 0.000 1.003 279 N HN 0.373 nan 8.380 nan 0.000 0.424 280 G N 0.042 108.402 108.800 -0.733 0.000 2.418 280 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 280 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 280 G C 1.525 176.068 174.900 -0.594 0.000 1.158 280 G CA 1.136 45.600 45.100 -1.059 0.000 0.771 280 G HN 0.463 nan 8.290 nan 0.000 0.545 281 G N -1.108 107.304 108.800 -0.646 0.000 2.539 281 G HA2 0.148 4.107 3.960 -0.001 0.000 0.215 281 G HA3 0.148 4.107 3.960 -0.001 0.000 0.215 281 G C 1.261 175.746 174.900 -0.692 0.000 1.141 281 G CA 0.512 45.137 45.100 -0.792 0.000 0.806 281 G HN 0.449 nan 8.290 nan 0.000 0.533 282 Y N -1.080 119.217 120.300 -0.006 0.000 2.432 282 Y HA 0.446 4.995 4.550 -0.001 0.000 0.252 282 Y C 0.364 176.428 175.900 0.274 0.000 1.097 282 Y CA -2.017 56.148 58.100 0.108 0.000 1.250 282 Y CB 0.134 38.646 38.460 0.087 0.000 1.245 282 Y HN -0.115 nan 8.280 nan 0.000 0.522 283 F N 1.995 122.071 119.950 0.210 0.000 2.629 283 F HA 0.015 4.542 4.527 -0.001 0.000 0.377 283 F C 1.469 177.393 175.800 0.206 0.000 1.101 283 F CA 0.454 58.550 58.000 0.160 0.000 1.301 283 F CB -0.238 38.792 39.000 0.051 0.000 1.062 283 F HN 0.328 nan 8.300 nan 0.000 0.583 284 H N 2.554 121.749 119.070 0.208 0.000 2.741 284 H HA -0.240 4.315 4.556 -0.001 0.000 0.305 284 H C 0.977 176.378 175.328 0.121 0.000 1.169 284 H CA 0.432 56.535 56.048 0.092 0.000 1.144 284 H CB -1.185 28.590 29.762 0.022 0.000 1.397 284 H HN 0.938 nan 8.280 nan 0.000 0.409 285 A N -1.618 121.373 122.820 0.285 0.000 2.832 285 A HA -0.001 4.318 4.320 -0.001 0.000 0.280 285 A C 2.644 180.315 177.584 0.145 0.000 1.464 285 A CA 1.835 54.012 52.037 0.234 0.000 0.804 285 A CB -1.951 17.166 19.000 0.195 0.000 1.020 285 A HN 2.347 nan 8.150 nan 0.000 0.563 286 G N -2.329 106.538 108.800 0.110 0.000 2.162 286 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.260 286 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.260 286 G C 0.145 174.859 174.900 -0.310 0.000 0.976 286 G CA 0.878 45.956 45.100 -0.036 0.000 0.655 286 G HN 1.388 nan 8.290 nan 0.000 0.533 287 Q N 0.230 119.796 119.800 -0.390 0.000 3.170 287 Q HA 0.470 4.809 4.340 -0.001 0.000 0.346 287 Q C -0.217 175.294 176.000 -0.815 0.000 1.333 287 Q CA -0.066 55.187 55.803 -0.917 0.000 0.958 287 Q CB 0.842 29.317 28.738 -0.437 0.000 1.600 287 Q HN 0.350 nan 8.270 nan 0.000 0.482 288 V N -0.326 119.163 119.914 -0.709 0.000 2.709 288 V HA 0.055 4.174 4.120 -0.001 0.000 0.308 288 V C 1.177 177.339 176.094 0.113 0.000 1.062 288 V CA -0.972 61.320 62.300 -0.014 0.000 0.901 288 V CB 1.354 33.327 31.823 0.249 0.000 1.003 288 V HN 0.723 nan 8.190 nan 0.000 0.425 289 C N 1.075 120.570 119.300 0.326 0.000 2.413 289 C HA -0.078 4.381 4.460 -0.001 0.000 0.277 289 C C 2.091 177.300 174.990 0.365 0.000 1.265 289 C CA 1.033 60.290 59.018 0.398 0.000 1.752 289 C CB -1.265 26.664 27.740 0.315 0.000 1.998 289 C HN 0.977 nan 8.230 nan 0.000 0.489 290 S N 0.972 116.960 115.700 0.479 0.000 2.614 290 S HA 0.589 5.058 4.470 -0.001 0.000 0.230 290 S C 0.666 175.600 174.600 0.556 0.000 0.952 290 S CA 0.279 58.813 58.200 0.557 0.000 0.949 290 S CB -0.586 63.170 63.200 0.928 0.000 0.786 290 S HN 1.017 nan 8.310 nan 0.000 0.478 291 A N 1.289 124.343 122.820 0.391 0.000 2.540 291 A HA 0.506 4.825 4.320 -0.001 0.000 0.239 291 A C 0.982 178.701 177.584 0.225 0.000 1.061 291 A CA 0.162 52.372 52.037 0.289 0.000 0.758 291 A CB -0.292 18.747 19.000 0.065 0.000 0.991 291 A HN 0.654 nan 8.150 nan 0.000 0.502 292 G N 1.575 110.370 108.800 -0.008 0.000 3.101 292 G HA2 0.338 4.297 3.960 -0.001 0.000 0.272 292 G HA3 0.338 4.297 3.960 -0.001 0.000 0.272 292 G C 0.988 175.767 174.900 -0.201 0.000 0.801 292 G CA 0.415 45.420 45.100 -0.158 0.000 1.978 292 G HN 1.166 nan 8.290 nan 0.000 0.591 293 S N 0.970 116.626 115.700 -0.074 0.000 2.470 293 S HA 0.065 4.534 4.470 -0.001 0.000 0.225 293 S C 1.239 175.804 174.600 -0.059 0.000 1.006 293 S CA -0.075 58.069 58.200 -0.094 0.000 0.934 293 S CB 0.254 63.422 63.200 -0.053 0.000 0.778 293 S HN 0.404 nan 8.310 nan 0.000 0.517 294 R N 0.992 121.479 120.500 -0.022 0.000 2.287 294 R HA 0.519 4.859 4.340 -0.001 0.000 0.316 294 R C -1.346 174.952 176.300 -0.003 0.000 1.050 294 R CA -0.536 55.564 56.100 0.000 0.000 0.983 294 R CB 0.236 30.549 30.300 0.022 0.000 1.140 294 R HN 0.342 nan 8.270 nan 0.000 0.528 295 I N 5.541 126.103 120.570 -0.014 0.000 2.395 295 I HA 0.200 4.369 4.170 -0.001 0.000 0.289 295 I C -0.268 175.840 176.117 -0.014 0.000 1.023 295 I CA -0.468 60.813 61.300 -0.031 0.000 1.350 295 I CB 1.284 39.273 38.000 -0.018 0.000 1.409 295 I HN 0.419 nan 8.210 nan 0.000 0.507 296 L N 7.577 128.792 121.223 -0.014 0.000 2.342 296 L HA 0.565 4.905 4.340 -0.001 0.000 0.276 296 L C -0.680 176.249 176.870 0.098 0.000 0.997 296 L CA -0.571 54.317 54.840 0.080 0.000 0.838 296 L CB 1.843 43.940 42.059 0.063 0.000 1.224 296 L HN 0.334 nan 8.230 nan 0.000 0.416 297 V N 3.880 123.761 119.914 -0.054 0.000 2.656 297 V HA 0.363 4.482 4.120 -0.001 0.000 0.307 297 V C -0.266 175.387 176.094 -0.736 0.000 1.051 297 V CA -0.435 61.663 62.300 -0.337 0.000 0.893 297 V CB 2.237 33.776 31.823 -0.475 0.000 0.999 297 V HN 0.848 nan 8.190 nan 0.000 0.426 298 Q N 3.860 123.031 119.800 -1.048 0.000 2.361 298 Q HA 0.103 4.442 4.340 -0.001 0.000 0.276 298 Q C 1.119 176.784 176.000 -0.558 0.000 1.022 298 Q CA 0.951 55.999 55.803 -1.260 0.000 0.898 298 Q CB 0.567 28.867 28.738 -0.730 0.000 1.246 298 Q HN 0.882 nan 8.270 nan 0.000 0.410 299 N N 0.479 118.910 118.700 -0.449 0.000 2.137 299 N HA -0.252 4.487 4.740 -0.001 0.000 0.190 299 N C 1.533 176.973 175.510 -0.116 0.000 1.017 299 N CA 1.430 54.355 53.050 -0.209 0.000 0.859 299 N CB 0.029 38.433 38.487 -0.138 0.000 1.002 299 N HN 0.669 nan 8.380 nan 0.000 0.428 300 S N 1.029 116.668 115.700 -0.102 0.000 2.419 300 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 300 S C 1.698 176.287 174.600 -0.019 0.000 1.016 300 S CA 0.995 59.169 58.200 -0.044 0.000 0.974 300 S CB -0.606 62.579 63.200 -0.024 0.000 0.786 300 S HN 0.576 nan 8.310 nan 0.000 0.492 301 I N -2.317 118.247 120.570 -0.011 0.000 4.025 301 I HA 0.454 4.623 4.170 -0.001 0.000 0.336 301 I C 1.690 177.892 176.117 0.141 0.000 1.390 301 I CA -0.499 60.847 61.300 0.077 0.000 1.099 301 I CB 0.163 38.260 38.000 0.161 0.000 1.049 301 I HN 0.048 nan 8.210 nan 0.000 0.394 302 K N 1.923 122.351 120.400 0.046 0.000 2.009 302 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 302 K C 1.359 178.051 176.600 0.153 0.000 1.049 302 K CA 2.508 58.841 56.287 0.077 0.000 0.929 302 K CB -0.047 32.443 32.500 -0.017 0.000 0.714 302 K HN 0.299 nan 8.250 nan 0.000 0.440 303 D N 0.625 121.080 120.400 0.092 0.000 2.104 303 D HA -0.171 4.469 4.640 -0.001 0.000 0.194 303 D C 1.801 178.167 176.300 0.110 0.000 0.994 303 D CA 1.082 55.131 54.000 0.082 0.000 0.830 303 D CB -0.119 40.707 40.800 0.043 0.000 0.959 303 D HN 0.264 nan 8.370 nan 0.000 0.452 304 K N -0.317 120.160 120.400 0.128 0.000 2.063 304 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 304 K C 2.179 178.979 176.600 0.332 0.000 1.048 304 K CA 0.797 57.172 56.287 0.148 0.000 0.928 304 K CB -0.311 32.214 32.500 0.043 0.000 0.713 304 K HN 0.104 nan 8.250 nan 0.000 0.442 305 F N 2.262 122.400 119.950 0.312 0.000 2.102 305 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 305 F C 1.949 177.789 175.800 0.067 0.000 1.105 305 F CA 1.701 59.830 58.000 0.216 0.000 1.239 305 F CB -0.164 38.871 39.000 0.059 0.000 0.991 305 F HN 0.118 nan 8.300 nan 0.000 0.474 306 E N -0.338 119.900 120.200 0.064 0.000 2.070 306 E HA -0.347 4.002 4.350 -0.001 0.000 0.197 306 E C 2.136 178.668 176.600 -0.113 0.000 1.004 306 E CA 1.669 58.043 56.400 -0.043 0.000 0.805 306 E CB -0.358 29.383 29.700 0.067 0.000 0.744 306 E HN 0.403 nan 8.360 nan 0.000 0.451 307 Q N 0.512 120.288 119.800 -0.040 0.000 2.084 307 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 307 Q C 1.900 177.857 176.000 -0.071 0.000 0.978 307 Q CA 1.780 57.561 55.803 -0.037 0.000 0.844 307 Q CB -0.302 28.437 28.738 0.001 0.000 0.898 307 Q HN 0.271 nan 8.270 nan 0.000 0.426 308 A N -0.133 122.639 122.820 -0.081 0.000 1.933 308 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 308 A C 1.983 179.432 177.584 -0.225 0.000 1.175 308 A CA 1.425 53.406 52.037 -0.093 0.000 0.628 308 A CB -0.768 18.253 19.000 0.035 0.000 0.814 308 A HN 0.457 nan 8.150 nan 0.000 0.444 309 L N -0.104 120.871 121.223 -0.413 0.000 2.027 309 L HA -0.070 4.270 4.340 -0.001 0.000 0.206 309 L C 2.239 179.005 176.870 -0.173 0.000 1.074 309 L CA 1.716 56.335 54.840 -0.369 0.000 0.745 309 L CB -0.443 41.299 42.059 -0.528 0.000 0.898 309 L HN 0.419 nan 8.230 nan 0.000 0.433 310 I N -0.271 120.217 120.570 -0.137 0.000 2.208 310 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 310 I C 1.994 178.067 176.117 -0.074 0.000 1.097 310 I CA 1.378 62.631 61.300 -0.078 0.000 1.363 310 I CB -0.554 37.414 38.000 -0.053 0.000 1.051 310 I HN 0.282 nan 8.210 nan 0.000 0.413 311 D N 0.516 120.873 120.400 -0.072 0.000 2.149 311 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 311 D C 2.339 178.603 176.300 -0.060 0.000 0.990 311 D CA 1.034 55.001 54.000 -0.055 0.000 0.839 311 D CB -0.207 40.568 40.800 -0.041 0.000 0.948 311 D HN 0.224 nan 8.370 nan 0.000 0.460 312 R N 0.282 120.737 120.500 -0.074 0.000 2.093 312 R HA 0.041 4.380 4.340 -0.001 0.000 0.224 312 R C 2.402 178.651 176.300 -0.084 0.000 1.101 312 R CA 0.204 56.263 56.100 -0.068 0.000 0.979 312 R CB -0.785 29.473 30.300 -0.071 0.000 0.877 312 R HN 0.157 nan 8.270 nan 0.000 0.441 313 V N 1.927 121.777 119.914 -0.106 0.000 2.392 313 V HA -0.241 3.879 4.120 -0.001 0.000 0.249 313 V C 2.101 178.111 176.094 -0.141 0.000 1.059 313 V CA 1.683 63.883 62.300 -0.167 0.000 1.051 313 V CB -0.404 31.319 31.823 -0.166 0.000 0.658 313 V HN 0.314 nan 8.190 nan 0.000 0.455 314 K N -0.037 120.304 120.400 -0.098 0.000 2.281 314 K HA -0.171 4.148 4.320 -0.001 0.000 0.203 314 K C 1.798 178.354 176.600 -0.073 0.000 1.046 314 K CA 1.156 57.395 56.287 -0.080 0.000 0.938 314 K CB -0.139 32.324 32.500 -0.060 0.000 0.737 314 K HN 0.463 nan 8.250 nan 0.000 0.458 315 K N 0.353 120.711 120.400 -0.070 0.000 2.358 315 K HA 0.184 4.504 4.320 -0.001 0.000 0.197 315 K C 0.180 176.748 176.600 -0.054 0.000 1.025 315 K CA -0.136 56.119 56.287 -0.054 0.000 1.104 315 K CB 0.428 32.904 32.500 -0.040 0.000 0.855 315 K HN 0.043 nan 8.250 nan 0.000 0.531 316 I N 2.916 123.440 120.570 -0.077 0.000 2.683 316 I HA -0.069 4.101 4.170 -0.001 0.000 0.286 316 I C 0.181 176.270 176.117 -0.046 0.000 1.175 316 I CA 0.229 61.490 61.300 -0.066 0.000 1.429 316 I CB 0.334 38.260 38.000 -0.123 0.000 1.371 316 I HN -0.128 nan 8.210 nan 0.000 0.569 317 K N 7.228 127.617 120.400 -0.017 0.000 2.264 317 K HA 0.445 4.764 4.320 -0.001 0.000 0.277 317 K C -0.693 175.909 176.600 0.004 0.000 1.067 317 K CA -0.756 55.521 56.287 -0.017 0.000 0.900 317 K CB 1.040 33.535 32.500 -0.009 0.000 1.124 317 K HN 0.301 nan 8.250 nan 0.000 0.469 318 L N 1.299 122.507 121.223 -0.026 0.000 2.357 318 L HA 0.679 5.018 4.340 -0.001 0.000 0.273 318 L C 1.019 177.843 176.870 -0.077 0.000 1.080 318 L CA 0.429 55.265 54.840 -0.008 0.000 0.803 318 L CB 1.535 43.538 42.059 -0.094 0.000 1.174 318 L HN 0.876 nan 8.230 nan 0.000 0.443 319 G N 1.204 110.048 108.800 0.073 0.000 2.336 319 G HA2 0.033 3.992 3.960 -0.001 0.000 0.286 319 G HA3 0.033 3.992 3.960 -0.001 0.000 0.286 319 G C -1.398 173.694 174.900 0.321 0.000 1.269 319 G CA -0.880 44.284 45.100 0.106 0.000 0.873 319 G HN 0.484 nan 8.290 nan 0.000 0.494 320 N N 0.761 119.473 118.700 0.020 0.000 2.468 320 N HA 0.318 5.057 4.740 -0.001 0.000 0.265 320 N C 1.668 177.082 175.510 -0.159 0.000 1.199 320 N CA 0.880 53.687 53.050 -0.406 0.000 0.928 320 N CB 1.239 39.276 38.487 -0.749 0.000 1.059 320 N HN 0.916 nan 8.380 nan 0.000 0.467 321 G N 2.707 111.399 108.800 -0.181 0.000 2.462 321 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.220 321 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.220 321 G C 0.941 175.670 174.900 -0.285 0.000 1.121 321 G CA 0.434 45.394 45.100 -0.233 0.000 0.758 321 G HN 0.619 nan 8.290 nan 0.000 0.559 322 F N 0.594 120.469 119.950 -0.126 0.000 2.661 322 F HA 0.184 4.711 4.527 0.001 0.000 0.298 322 F C 1.056 176.813 175.800 -0.071 0.000 1.137 322 F CA -0.212 57.736 58.000 -0.087 0.000 1.454 322 F CB 0.223 39.165 39.000 -0.096 0.000 1.103 322 F HN -0.011 nan 8.300 nan 0.000 0.577 323 D N 0.246 120.675 120.400 0.049 0.000 2.277 323 D HA 0.264 4.903 4.640 -0.001 0.000 0.249 323 D C 1.212 177.519 176.300 0.012 0.000 1.134 323 D CA 0.194 54.209 54.000 0.026 0.000 0.863 323 D CB 1.713 42.511 40.800 -0.003 0.000 1.143 323 D HN 0.114 nan 8.370 nan 0.000 0.458 324 A N 4.210 127.040 122.820 0.017 0.000 2.024 324 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 324 A C 1.491 179.074 177.584 -0.002 0.000 1.164 324 A CA 1.316 53.356 52.037 0.006 0.000 0.643 324 A CB -0.072 18.931 19.000 0.004 0.000 0.806 324 A HN 0.601 nan 8.150 nan 0.000 0.451 325 D N -0.470 119.930 120.400 0.000 0.000 2.347 325 D HA 0.020 4.659 4.640 -0.001 0.000 0.213 325 D C 0.283 176.585 176.300 0.003 0.000 0.985 325 D CA 0.542 54.542 54.000 -0.000 0.000 0.879 325 D CB -0.377 40.422 40.800 -0.002 0.000 0.919 325 D HN 0.258 nan 8.370 nan 0.000 0.526 326 T N 0.990 115.546 114.554 0.004 0.000 2.902 326 T HA 0.049 4.398 4.350 -0.001 0.000 0.301 326 T C 1.242 175.954 174.700 0.020 0.000 1.012 326 T CA 0.353 62.464 62.100 0.017 0.000 1.151 326 T CB 1.318 70.199 68.868 0.022 0.000 0.946 326 T HN 0.083 nan 8.240 nan 0.000 0.542 327 E N 1.872 122.097 120.200 0.041 0.000 2.372 327 E HA 0.261 4.610 4.350 -0.001 0.000 0.201 327 E C 0.319 176.977 176.600 0.096 0.000 0.938 327 E CA 0.189 56.624 56.400 0.057 0.000 0.944 327 E CB 0.613 30.351 29.700 0.063 0.000 0.937 327 E HN 0.471 nan 8.360 nan 0.000 0.495 328 M N 0.513 120.186 119.600 0.120 0.000 2.277 328 M HA 0.407 4.886 4.480 -0.001 0.000 0.282 328 M C -0.610 175.837 176.300 0.246 0.000 1.074 328 M CA -0.492 54.915 55.300 0.178 0.000 0.954 328 M CB 1.772 34.487 32.600 0.191 0.000 1.672 328 M HN 0.101 nan 8.290 nan 0.000 0.471 329 G N 3.547 112.480 108.800 0.223 0.000 2.510 329 G HA2 0.717 4.677 3.960 -0.001 0.000 0.280 329 G HA3 0.717 4.677 3.960 -0.001 0.000 0.280 329 G C -2.942 172.037 174.900 0.131 0.000 1.386 329 G CA -0.941 44.306 45.100 0.245 0.000 1.047 329 G HN 0.438 nan 8.290 nan 0.000 0.527 330 P HA 0.276 nan 4.420 nan 0.000 0.276 330 P C 0.384 177.588 177.300 -0.160 0.000 1.261 330 P CA -0.286 62.437 63.100 -0.628 0.000 0.800 330 P CB 1.229 32.372 31.700 -0.929 0.000 1.066 331 V N -1.045 118.808 119.914 -0.101 0.000 3.403 331 V HA 0.182 4.302 4.120 -0.001 0.000 0.305 331 V C 1.590 177.637 176.094 -0.078 0.000 1.060 331 V CA -0.184 62.117 62.300 0.002 0.000 1.053 331 V CB -0.154 31.726 31.823 0.095 0.000 1.198 331 V HN 0.415 nan 8.190 nan 0.000 0.447 332 I N 1.034 121.512 120.570 -0.153 0.000 2.500 332 I HA 0.128 4.297 4.170 -0.001 0.000 0.252 332 I C 1.010 176.958 176.117 -0.282 0.000 1.142 332 I CA 1.650 62.763 61.300 -0.311 0.000 1.451 332 I CB 0.032 37.525 38.000 -0.845 0.000 1.093 332 I HN 1.112 nan 8.210 nan 0.000 0.430 333 S N -3.316 112.241 115.700 -0.237 0.000 2.615 333 S HA 0.293 4.763 4.470 -0.001 0.000 0.269 333 S C 0.575 175.121 174.600 -0.089 0.000 1.161 333 S CA -0.097 57.999 58.200 -0.174 0.000 0.817 333 S CB 0.920 63.974 63.200 -0.244 0.000 1.131 333 S HN 0.007 nan 8.310 nan 0.000 0.467 334 T N 1.071 115.587 114.554 -0.064 0.000 2.746 334 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 334 T C 1.603 176.289 174.700 -0.024 0.000 1.039 334 T CA 1.850 63.931 62.100 -0.033 0.000 1.142 334 T CB -0.585 68.269 68.868 -0.023 0.000 0.866 334 T HN 0.786 nan 8.240 nan 0.000 0.444 335 E N 0.254 120.438 120.200 -0.027 0.000 2.058 335 E HA -0.283 4.066 4.350 -0.001 0.000 0.194 335 E C 2.151 178.767 176.600 0.026 0.000 0.997 335 E CA 1.459 57.857 56.400 -0.002 0.000 0.801 335 E CB -0.173 29.525 29.700 -0.004 0.000 0.746 335 E HN 0.560 nan 8.360 nan 0.000 0.450 336 H N 0.501 119.510 119.070 -0.101 0.000 2.357 336 H HA -0.010 4.545 4.556 -0.001 0.000 0.301 336 H C 2.182 177.478 175.328 -0.053 0.000 1.082 336 H CA 2.024 58.029 56.048 -0.072 0.000 1.342 336 H CB -0.054 29.603 29.762 -0.176 0.000 1.389 336 H HN 0.068 nan 8.280 nan 0.000 0.511 337 R N -0.032 120.403 120.500 -0.109 0.000 2.096 337 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 337 R C 1.700 177.918 176.300 -0.137 0.000 1.127 337 R CA 1.605 57.618 56.100 -0.144 0.000 0.968 337 R CB 0.006 30.299 30.300 -0.012 0.000 0.861 337 R HN 0.333 nan 8.270 nan 0.000 0.440 338 N N 0.922 119.582 118.700 -0.068 0.000 2.166 338 N HA -0.198 4.541 4.740 -0.001 0.000 0.186 338 N C 1.436 176.912 175.510 -0.056 0.000 1.019 338 N CA 1.252 54.279 53.050 -0.038 0.000 0.856 338 N CB -0.227 38.252 38.487 -0.013 0.000 0.993 338 N HN 0.313 nan 8.380 nan 0.000 0.426 339 K N 1.070 121.431 120.400 -0.065 0.000 2.009 339 K HA -0.067 4.252 4.320 -0.001 0.000 0.210 339 K C 2.001 178.614 176.600 0.022 0.000 1.049 339 K CA 1.027 57.309 56.287 -0.007 0.000 0.929 339 K CB -0.203 32.331 32.500 0.056 0.000 0.714 339 K HN 0.071 nan 8.250 nan 0.000 0.440 340 I N 1.324 121.782 120.570 -0.187 0.000 2.163 340 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 340 I C 2.265 178.241 176.117 -0.235 0.000 1.085 340 I CA 1.550 62.679 61.300 -0.285 0.000 1.347 340 I CB -0.264 37.320 38.000 -0.693 0.000 1.044 340 I HN 0.304 nan 8.210 nan 0.000 0.408 341 E N 0.557 120.624 120.200 -0.222 0.000 2.085 341 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 341 E C 2.297 178.925 176.600 0.046 0.000 0.994 341 E CA 1.790 58.197 56.400 0.011 0.000 0.801 341 E CB -0.156 29.607 29.700 0.105 0.000 0.743 341 E HN 0.571 nan 8.360 nan 0.000 0.453 342 S N 0.262 115.957 115.700 -0.009 0.000 2.383 342 S HA -0.215 4.254 4.470 -0.001 0.000 0.229 342 S C 1.902 176.450 174.600 -0.086 0.000 1.030 342 S CA 0.915 59.077 58.200 -0.063 0.000 1.002 342 S CB -0.604 62.515 63.200 -0.136 0.000 0.829 342 S HN 0.270 nan 8.310 nan 0.000 0.467 343 Y N 1.542 121.833 120.300 -0.014 0.000 2.403 343 Y HA 0.052 4.601 4.550 -0.001 0.000 0.291 343 Y C 2.615 178.536 175.900 0.036 0.000 1.143 343 Y CA 1.034 59.139 58.100 0.008 0.000 1.257 343 Y CB -0.398 38.057 38.460 -0.008 0.000 0.984 343 Y HN 0.232 nan 8.280 nan 0.000 0.550 344 M N -0.619 119.092 119.600 0.186 0.000 2.132 344 M HA -0.187 4.293 4.480 -0.001 0.000 0.263 344 M C 1.482 177.851 176.300 0.114 0.000 1.065 344 M CA 1.398 56.800 55.300 0.170 0.000 1.122 344 M CB -1.036 31.689 32.600 0.208 0.000 1.365 344 M HN 0.165 nan 8.290 nan 0.000 0.411 345 D N 0.472 120.918 120.400 0.077 0.000 2.117 345 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 345 D C 2.297 178.621 176.300 0.039 0.000 0.987 345 D CA 0.992 55.020 54.000 0.046 0.000 0.829 345 D CB -0.304 40.508 40.800 0.019 0.000 0.961 345 D HN 0.101 nan 8.370 nan 0.000 0.460 346 V N 1.346 121.277 119.914 0.029 0.000 2.255 346 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 346 V C 2.520 178.660 176.094 0.076 0.000 1.051 346 V CA 1.988 64.307 62.300 0.032 0.000 1.018 346 V CB -0.951 30.870 31.823 -0.003 0.000 0.641 346 V HN 0.213 nan 8.190 nan 0.000 0.445 347 A N -0.269 122.619 122.820 0.115 0.000 1.892 347 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 347 A C 2.295 179.925 177.584 0.078 0.000 1.188 347 A CA 2.317 54.419 52.037 0.108 0.000 0.631 347 A CB -0.501 18.573 19.000 0.123 0.000 0.822 347 A HN 0.578 nan 8.150 nan 0.000 0.447 348 K N -0.521 119.921 120.400 0.070 0.000 2.057 348 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 348 K C 2.317 178.943 176.600 0.044 0.000 1.050 348 K CA 1.013 57.332 56.287 0.054 0.000 0.935 348 K CB -0.330 32.201 32.500 0.051 0.000 0.715 348 K HN 0.440 nan 8.250 nan 0.000 0.439 349 A N 2.339 125.183 122.820 0.040 0.000 1.940 349 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 349 A C 1.805 179.408 177.584 0.033 0.000 1.176 349 A CA 1.793 53.849 52.037 0.031 0.000 0.631 349 A CB -0.435 18.579 19.000 0.023 0.000 0.814 349 A HN 0.539 nan 8.150 nan 0.000 0.446 350 E N -1.721 118.503 120.200 0.041 0.000 2.465 350 E HA 0.364 4.714 4.350 -0.001 0.000 0.191 350 E C 0.910 177.535 176.600 0.040 0.000 1.053 350 E CA 0.497 56.922 56.400 0.041 0.000 0.869 350 E CB -0.199 29.531 29.700 0.049 0.000 0.977 350 E HN 0.770 nan 8.360 nan 0.000 0.483 351 G N 0.507 109.331 108.800 0.040 0.000 2.184 351 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.206 351 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.206 351 G C 0.382 175.306 174.900 0.040 0.000 0.995 351 G CA -0.182 44.940 45.100 0.037 0.000 0.651 351 G HN 0.628 nan 8.290 nan 0.000 0.511 352 A N -0.154 122.695 122.820 0.049 0.000 2.272 352 A HA 0.801 5.120 4.320 -0.001 0.000 0.275 352 A C 0.488 178.102 177.584 0.051 0.000 1.096 352 A CA 0.893 52.961 52.037 0.052 0.000 0.822 352 A CB 0.630 19.668 19.000 0.063 0.000 1.088 352 A HN 0.724 nan 8.150 nan 0.000 0.495 353 T N 1.748 116.332 114.554 0.050 0.000 2.823 353 T HA 0.445 4.794 4.350 -0.001 0.000 0.279 353 T C -0.229 174.504 174.700 0.055 0.000 0.998 353 T CA -0.246 61.882 62.100 0.047 0.000 0.994 353 T CB 0.747 69.638 68.868 0.038 0.000 0.960 353 T HN 0.357 nan 8.240 nan 0.000 0.448 354 I N 3.380 123.982 120.570 0.055 0.000 2.294 354 I HA 0.249 4.418 4.170 -0.001 0.000 0.295 354 I C 1.365 177.508 176.117 0.043 0.000 1.098 354 I CA -0.467 60.870 61.300 0.061 0.000 1.277 354 I CB -0.116 37.925 38.000 0.067 0.000 1.434 354 I HN 0.816 nan 8.210 nan 0.000 0.498 355 A N 5.791 128.637 122.820 0.042 0.000 1.970 355 A HA 0.157 4.476 4.320 -0.001 0.000 0.216 355 A C 0.940 178.532 177.584 0.013 0.000 1.170 355 A CA 0.797 52.850 52.037 0.026 0.000 0.645 355 A CB 0.401 19.417 19.000 0.027 0.000 0.816 355 A HN 0.501 nan 8.150 nan 0.000 0.447 356 V N -3.273 116.651 119.914 0.017 0.000 3.167 356 V HA 0.566 4.685 4.120 -0.001 0.000 0.293 356 V C 0.412 176.506 176.094 -0.001 0.000 1.379 356 V CA 0.373 62.669 62.300 -0.005 0.000 1.019 356 V CB 1.309 33.119 31.823 -0.022 0.000 1.115 356 V HN 1.932 nan 8.190 nan 0.000 0.442 357 G N 3.603 112.381 108.800 -0.037 0.000 2.527 357 G HA2 0.296 4.255 3.960 -0.001 0.000 0.268 357 G HA3 0.296 4.255 3.960 -0.001 0.000 0.268 357 G C 1.425 176.285 174.900 -0.068 0.000 1.175 357 G CA 0.911 45.969 45.100 -0.069 0.000 0.962 357 G HN 2.757 nan 8.290 nan 0.000 0.560 358 G N -0.959 107.812 108.800 -0.048 0.000 2.143 358 G HA2 0.138 4.097 3.960 -0.001 0.000 0.248 358 G HA3 0.138 4.097 3.960 -0.001 0.000 0.248 358 G C 0.194 175.019 174.900 -0.125 0.000 0.991 358 G CA 2.115 47.252 45.100 0.063 0.000 0.689 358 G HN 2.126 nan 8.290 nan 0.000 0.522 359 K N -1.708 118.338 120.400 -0.591 0.000 2.533 359 K HA 0.700 5.020 4.320 -0.001 0.000 0.284 359 K C -0.181 175.946 176.600 -0.788 0.000 1.025 359 K CA -1.390 54.582 56.287 -0.526 0.000 0.900 359 K CB 1.200 33.575 32.500 -0.208 0.000 1.519 359 K HN 0.116 nan 8.250 nan 0.000 0.432 360 R N 1.091 121.375 120.500 -0.359 0.000 2.543 360 R HA 0.223 4.562 4.340 -0.001 0.000 0.277 360 R C -2.096 174.120 176.300 -0.141 0.000 1.074 360 R CA -1.514 54.483 56.100 -0.172 0.000 1.076 360 R CB 0.154 30.457 30.300 0.006 0.000 0.993 360 R HN 0.482 nan 8.270 nan 0.000 0.459 361 P HA 0.056 nan 4.420 nan 0.000 0.274 361 P C -0.654 176.606 177.300 -0.068 0.000 1.231 361 P CA -0.151 62.891 63.100 -0.096 0.000 0.790 361 P CB 0.801 32.435 31.700 -0.111 0.000 0.951 362 D N -0.174 120.184 120.400 -0.069 0.000 2.271 362 D HA 0.022 4.661 4.640 -0.001 0.000 0.206 362 D C 1.040 177.307 176.300 -0.055 0.000 0.967 362 D CA 0.463 54.432 54.000 -0.051 0.000 0.867 362 D CB -0.201 40.571 40.800 -0.045 0.000 0.960 362 D HN 0.320 nan 8.370 nan 0.000 0.509 363 R N 1.310 121.766 120.500 -0.074 0.000 2.538 363 R HA -0.103 4.237 4.340 -0.001 0.000 0.273 363 R C 0.437 176.696 176.300 -0.069 0.000 0.967 363 R CA 0.189 56.243 56.100 -0.075 0.000 1.101 363 R CB 0.481 30.721 30.300 -0.100 0.000 0.908 363 R HN -0.027 nan 8.270 nan 0.000 0.411 364 D N 2.097 122.468 120.400 -0.049 0.000 2.116 364 D HA -0.215 4.424 4.640 -0.001 0.000 0.193 364 D C 1.122 177.400 176.300 -0.036 0.000 0.998 364 D CA 1.911 55.890 54.000 -0.035 0.000 0.836 364 D CB -0.144 40.642 40.800 -0.023 0.000 0.951 364 D HN 0.702 nan 8.370 nan 0.000 0.449 365 D N 0.063 120.439 120.400 -0.039 0.000 2.363 365 D HA -0.094 4.545 4.640 -0.001 0.000 0.226 365 D C 1.691 177.956 176.300 -0.059 0.000 1.020 365 D CA 0.252 54.243 54.000 -0.016 0.000 0.892 365 D CB -0.116 40.699 40.800 0.024 0.000 0.900 365 D HN 0.297 nan 8.370 nan 0.000 0.531 366 L N 0.105 121.251 121.223 -0.129 0.000 2.638 366 L HA 0.121 4.460 4.340 -0.001 0.000 0.232 366 L C 2.426 179.301 176.870 0.009 0.000 1.099 366 L CA -0.097 54.617 54.840 -0.210 0.000 0.883 366 L CB 0.084 41.860 42.059 -0.471 0.000 1.136 366 L HN -0.052 nan 8.230 nan 0.000 0.492 367 K N -0.500 119.891 120.400 -0.014 0.000 2.283 367 K HA -0.115 4.204 4.320 -0.001 0.000 0.202 367 K C 0.662 177.274 176.600 0.020 0.000 1.048 367 K CA 1.382 57.677 56.287 0.013 0.000 0.948 367 K CB -0.029 32.467 32.500 -0.008 0.000 0.742 367 K HN 0.121 nan 8.250 nan 0.000 0.458 368 D N 1.099 121.491 120.400 -0.012 0.000 2.354 368 D HA 0.071 4.710 4.640 -0.001 0.000 0.209 368 D C 0.768 177.038 176.300 -0.050 0.000 1.015 368 D CA 0.517 54.493 54.000 -0.040 0.000 0.867 368 D CB 0.425 41.176 40.800 -0.081 0.000 0.933 368 D HN 0.401 nan 8.370 nan 0.000 0.520 369 G N -0.202 108.608 108.800 0.017 0.000 2.511 369 G HA2 0.473 4.432 3.960 -0.001 0.000 0.316 369 G HA3 0.473 4.432 3.960 -0.001 0.000 0.316 369 G C -0.079 174.839 174.900 0.030 0.000 1.210 369 G CA -0.649 44.450 45.100 -0.001 0.000 0.969 369 G HN 0.091 nan 8.290 nan 0.000 0.492 370 L N 1.004 122.125 121.223 -0.169 0.000 2.727 370 L HA 0.282 4.622 4.340 -0.001 0.000 0.237 370 L C -0.561 176.210 176.870 -0.164 0.000 1.370 370 L CA -0.270 54.499 54.840 -0.117 0.000 1.248 370 L CB -0.849 41.137 42.059 -0.122 0.000 1.556 370 L HN 0.183 nan 8.230 nan 0.000 0.420 371 F N 0.142 120.147 119.950 0.092 0.000 2.375 371 F HA 0.416 4.942 4.527 -0.002 0.000 0.333 371 F C 0.018 175.928 175.800 0.184 0.000 1.104 371 F CA -0.198 57.876 58.000 0.123 0.000 1.149 371 F CB 1.167 40.212 39.000 0.074 0.000 1.190 371 F HN -0.058 nan 8.300 nan 0.000 0.533 372 F N 1.574 121.662 119.950 0.231 0.000 2.574 372 F HA 0.329 4.856 4.527 -0.001 0.000 0.313 372 F C -0.425 175.457 175.800 0.136 0.000 1.130 372 F CA -0.844 57.241 58.000 0.141 0.000 0.936 372 F CB 1.296 40.349 39.000 0.090 0.000 1.219 372 F HN 0.464 nan 8.300 nan 0.000 0.445 373 E N 6.464 126.469 120.200 -0.324 0.000 2.392 373 E HA 0.151 4.500 4.350 -0.001 0.000 0.264 373 E C -2.284 174.328 176.600 0.020 0.000 1.024 373 E CA -1.609 54.702 56.400 -0.148 0.000 0.903 373 E CB 0.258 29.808 29.700 -0.250 0.000 0.963 373 E HN 0.217 nan 8.360 nan 0.000 0.432 374 P HA -0.040 nan 4.420 nan 0.000 0.265 374 P C -0.803 176.481 177.300 -0.027 0.000 1.193 374 P CA 0.210 63.242 63.100 -0.114 0.000 0.765 374 P CB 0.658 32.000 31.700 -0.597 0.000 0.823 375 T N 2.128 116.799 114.554 0.194 0.000 2.886 375 T HA 0.417 4.766 4.350 -0.001 0.000 0.292 375 T C -0.474 174.369 174.700 0.237 0.000 1.012 375 T CA -0.471 61.748 62.100 0.198 0.000 0.982 375 T CB 1.352 70.390 68.868 0.283 0.000 1.018 375 T HN 0.061 nan 8.240 nan 0.000 0.451 376 V N 4.300 124.303 119.914 0.149 0.000 2.444 376 V HA 0.498 4.617 4.120 -0.001 0.000 0.294 376 V C -0.621 175.530 176.094 0.095 0.000 1.022 376 V CA -0.906 61.470 62.300 0.127 0.000 0.850 376 V CB 1.508 33.383 31.823 0.086 0.000 0.992 376 V HN 0.729 nan 8.190 nan 0.000 0.426 377 I N 4.859 125.484 120.570 0.091 0.000 2.339 377 I HA 0.529 4.698 4.170 -0.001 0.000 0.290 377 I C 0.591 176.749 176.117 0.069 0.000 0.994 377 I CA 0.046 61.394 61.300 0.080 0.000 1.191 377 I CB 1.736 39.786 38.000 0.083 0.000 1.343 377 I HN 0.794 nan 8.210 nan 0.000 0.458 378 T N 1.737 116.327 114.554 0.061 0.000 2.905 378 T HA 0.420 4.769 4.350 -0.001 0.000 0.283 378 T C 0.524 175.254 174.700 0.051 0.000 1.031 378 T CA -0.679 61.455 62.100 0.057 0.000 1.002 378 T CB 1.390 70.288 68.868 0.051 0.000 1.200 378 T HN 0.481 nan 8.240 nan 0.000 0.560 379 N N -0.166 118.561 118.700 0.046 0.000 2.740 379 N HA -0.157 4.582 4.740 -0.001 0.000 0.248 379 N C -0.199 175.336 175.510 0.042 0.000 1.062 379 N CA 0.681 53.755 53.050 0.040 0.000 0.704 379 N CB -2.048 36.461 38.487 0.036 0.000 0.968 379 N HN 0.967 nan 8.380 nan 0.000 0.547 380 C N -1.501 117.826 119.300 0.046 0.000 2.668 380 C HA 0.951 5.411 4.460 -0.001 0.000 0.355 380 C C 0.129 175.145 174.990 0.044 0.000 1.277 380 C CA -0.936 58.111 59.018 0.047 0.000 1.787 380 C CB 1.905 29.677 27.740 0.054 0.000 2.233 380 C HN 0.537 nan 8.230 nan 0.000 0.495 381 D N -1.228 119.199 120.400 0.044 0.000 2.610 381 D HA 0.152 4.791 4.640 -0.001 0.000 0.271 381 D C 0.212 176.537 176.300 0.043 0.000 1.174 381 D CA -0.250 53.775 54.000 0.042 0.000 0.949 381 D CB 1.463 42.285 40.800 0.037 0.000 1.430 381 D HN 0.491 nan 8.370 nan 0.000 0.467 382 T N -0.703 113.875 114.554 0.039 0.000 2.977 382 T HA -0.139 4.210 4.350 -0.001 0.000 0.271 382 T C 1.736 176.460 174.700 0.039 0.000 1.105 382 T CA 2.142 64.265 62.100 0.038 0.000 1.116 382 T CB -0.514 68.372 68.868 0.030 0.000 0.878 382 T HN 0.477 nan 8.240 nan 0.000 0.509 383 S N -0.076 115.646 115.700 0.038 0.000 2.522 383 S HA 0.204 4.674 4.470 -0.001 0.000 0.227 383 S C 0.803 175.431 174.600 0.047 0.000 0.986 383 S CA -0.058 58.165 58.200 0.037 0.000 0.929 383 S CB -0.460 62.759 63.200 0.032 0.000 0.769 383 S HN 0.487 nan 8.310 nan 0.000 0.529 384 M N 1.378 121.011 119.600 0.054 0.000 2.250 384 M HA 0.349 4.828 4.480 -0.001 0.000 0.344 384 M C 1.542 177.893 176.300 0.086 0.000 1.150 384 M CA -0.421 54.919 55.300 0.066 0.000 1.147 384 M CB 0.842 33.482 32.600 0.068 0.000 1.498 384 M HN 0.056 nan 8.290 nan 0.000 0.461 385 R N 0.822 121.385 120.500 0.105 0.000 2.081 385 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 385 R C 1.843 178.255 176.300 0.186 0.000 1.131 385 R CA 1.258 57.449 56.100 0.152 0.000 0.960 385 R CB -0.391 30.013 30.300 0.173 0.000 0.856 385 R HN 0.597 nan 8.270 nan 0.000 0.436 386 I N 0.522 121.197 120.570 0.175 0.000 2.454 386 I HA -0.215 3.954 4.170 -0.001 0.000 0.254 386 I C 1.779 177.934 176.117 0.064 0.000 1.156 386 I CA 1.297 62.681 61.300 0.138 0.000 1.433 386 I CB 0.144 38.227 38.000 0.138 0.000 1.082 386 I HN -0.102 nan 8.210 nan 0.000 0.432 387 V N -0.193 119.764 119.914 0.073 0.000 2.446 387 V HA -0.135 3.985 4.120 -0.001 0.000 0.244 387 V C 2.352 178.489 176.094 0.071 0.000 1.039 387 V CA 1.238 63.573 62.300 0.058 0.000 1.045 387 V CB -0.577 31.280 31.823 0.056 0.000 0.681 387 V HN 0.382 nan 8.190 nan 0.000 0.459 388 Q N 0.347 120.202 119.800 0.091 0.000 2.187 388 Q HA 0.039 4.378 4.340 -0.001 0.000 0.199 388 Q C 0.735 176.834 176.000 0.165 0.000 0.957 388 Q CA 0.695 56.567 55.803 0.114 0.000 0.857 388 Q CB 0.098 28.894 28.738 0.096 0.000 0.929 388 Q HN 0.697 nan 8.270 nan 0.000 0.453 389 E N 1.048 121.338 120.200 0.150 0.000 2.242 389 E HA 0.182 4.531 4.350 -0.001 0.000 0.275 389 E C -0.658 175.982 176.600 0.067 0.000 1.002 389 E CA -0.322 56.186 56.400 0.181 0.000 0.841 389 E CB 1.075 30.915 29.700 0.235 0.000 1.109 389 E HN 0.026 nan 8.360 nan 0.000 0.394 390 E N 2.145 122.414 120.200 0.115 0.000 2.104 390 E HA 0.021 4.371 4.350 -0.001 0.000 0.278 390 E C 0.319 176.904 176.600 -0.026 0.000 1.127 390 E CA -0.249 56.163 56.400 0.020 0.000 0.897 390 E CB 0.563 30.258 29.700 -0.008 0.000 1.043 390 E HN 0.331 nan 8.360 nan 0.000 0.410 391 V N 5.249 125.067 119.914 -0.159 0.000 2.488 391 V HA -0.133 3.986 4.120 -0.001 0.000 0.246 391 V C 0.961 177.132 176.094 0.128 0.000 1.046 391 V CA 0.840 62.965 62.300 -0.292 0.000 1.053 391 V CB -0.731 30.838 31.823 -0.424 0.000 0.679 391 V HN 0.954 nan 8.190 nan 0.000 0.458 392 F N 0.491 120.440 119.950 -0.002 0.000 3.080 392 F HA -0.131 4.396 4.527 -0.001 0.000 0.292 392 F C 0.627 176.572 175.800 0.242 0.000 0.891 392 F CA 0.634 58.723 58.000 0.149 0.000 1.086 392 F CB -1.119 38.033 39.000 0.254 0.000 1.095 392 F HN 0.254 nan 8.300 nan 0.000 0.633 393 G N -0.434 108.420 108.800 0.089 0.000 3.022 393 G HA2 0.689 4.648 3.960 -0.001 0.000 0.284 393 G HA3 0.689 4.648 3.960 -0.001 0.000 0.284 393 G C -2.992 171.950 174.900 0.071 0.000 1.375 393 G CA -0.798 44.329 45.100 0.046 0.000 0.902 393 G HN -0.122 nan 8.290 nan 0.000 0.538 394 P HA 0.363 nan 4.420 nan 0.000 0.225 394 P C -0.828 176.720 177.300 0.414 0.000 1.813 394 P CA -0.139 63.182 63.100 0.369 0.000 1.013 394 P CB 0.372 32.323 31.700 0.418 0.000 1.961 395 V N 2.315 122.349 119.914 0.199 0.000 2.733 395 V HA 0.434 4.553 4.120 -0.001 0.000 0.306 395 V C 0.113 176.215 176.094 0.013 0.000 1.084 395 V CA -0.967 61.429 62.300 0.160 0.000 0.905 395 V CB 2.687 34.564 31.823 0.091 0.000 1.010 395 V HN 0.230 nan 8.190 nan 0.000 0.424 396 V N 1.307 121.239 119.914 0.030 0.000 2.823 396 V HA 0.982 5.101 4.120 -0.001 0.000 0.312 396 V C -0.133 175.976 176.094 0.026 0.000 1.072 396 V CA -0.418 61.857 62.300 -0.042 0.000 0.937 396 V CB 2.141 33.884 31.823 -0.132 0.000 1.013 396 V HN 0.968 nan 8.190 nan 0.000 0.430 397 T N 0.630 115.194 114.554 0.016 0.000 2.925 397 T HA 0.823 5.172 4.350 -0.001 0.000 0.285 397 T C -0.550 174.178 174.700 0.047 0.000 1.021 397 T CA -0.760 61.365 62.100 0.041 0.000 1.042 397 T CB 1.653 70.543 68.868 0.038 0.000 1.037 397 T HN 1.030 nan 8.240 nan 0.000 0.481 398 V N 1.953 121.906 119.914 0.065 0.000 2.443 398 V HA 0.508 4.627 4.120 -0.001 0.000 0.293 398 V C -0.304 175.825 176.094 0.058 0.000 1.021 398 V CA -0.739 61.607 62.300 0.077 0.000 0.848 398 V CB 1.247 33.147 31.823 0.128 0.000 0.998 398 V HN 0.984 nan 8.190 nan 0.000 0.424 399 E N 2.125 122.352 120.200 0.046 0.000 2.227 399 E HA 0.701 5.050 4.350 -0.001 0.000 0.268 399 E C 0.064 176.686 176.600 0.037 0.000 0.907 399 E CA -0.592 55.836 56.400 0.046 0.000 0.786 399 E CB 2.474 32.208 29.700 0.056 0.000 1.191 399 E HN 0.822 nan 8.360 nan 0.000 0.411 400 G N 1.237 110.050 108.800 0.021 0.000 2.437 400 G HA2 0.599 4.558 3.960 -0.001 0.000 0.319 400 G HA3 0.599 4.558 3.960 -0.001 0.000 0.319 400 G C -1.063 173.860 174.900 0.038 0.000 1.158 400 G CA -0.415 44.658 45.100 -0.045 0.000 0.899 400 G HN 0.387 nan 8.290 nan 0.000 0.502 401 F N -0.842 119.062 119.950 -0.077 0.000 2.613 401 F HA 0.729 5.256 4.527 -0.001 0.000 0.310 401 F C 0.430 176.197 175.800 -0.054 0.000 1.085 401 F CA -1.361 56.596 58.000 -0.072 0.000 0.945 401 F CB 2.230 41.163 39.000 -0.112 0.000 1.298 401 F HN 0.493 nan 8.300 nan 0.000 0.455 402 E N 0.752 121.048 120.200 0.160 0.000 2.132 402 E HA 0.157 4.506 4.350 -0.001 0.000 0.193 402 E C 0.391 177.120 176.600 0.216 0.000 0.951 402 E CA 1.421 57.871 56.400 0.083 0.000 0.843 402 E CB 0.255 29.998 29.700 0.072 0.000 0.807 402 E HN 0.843 nan 8.360 nan 0.000 0.467 403 T N -2.612 112.138 114.554 0.326 0.000 2.926 403 T HA 0.312 4.661 4.350 -0.001 0.000 0.289 403 T C 0.893 175.781 174.700 0.315 0.000 1.054 403 T CA -0.368 61.910 62.100 0.296 0.000 1.015 403 T CB 1.394 70.361 68.868 0.164 0.000 1.167 403 T HN 0.102 nan 8.240 nan 0.000 0.526 404 E N 0.159 120.546 120.200 0.312 0.000 2.085 404 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 404 E C 1.753 178.390 176.600 0.063 0.000 0.994 404 E CA 1.486 58.051 56.400 0.274 0.000 0.801 404 E CB -0.104 29.739 29.700 0.239 0.000 0.743 404 E HN 0.664 nan 8.360 nan 0.000 0.453 405 Q N 0.596 120.431 119.800 0.058 0.000 2.124 405 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 405 Q C 1.897 177.886 176.000 -0.019 0.000 0.977 405 Q CA 1.749 57.560 55.803 0.014 0.000 0.850 405 Q CB -0.143 28.611 28.738 0.026 0.000 0.901 405 Q HN 0.409 nan 8.270 nan 0.000 0.429 406 E N -0.149 120.052 120.200 0.001 0.000 2.072 406 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 406 E C 1.800 178.318 176.600 -0.136 0.000 0.985 406 E CA 0.870 57.265 56.400 -0.007 0.000 0.801 406 E CB -0.097 29.660 29.700 0.094 0.000 0.750 406 E HN 0.355 nan 8.360 nan 0.000 0.452 407 A N 1.051 123.636 122.820 -0.391 0.000 1.883 407 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 407 A C 2.152 179.517 177.584 -0.365 0.000 1.186 407 A CA 1.432 53.011 52.037 -0.763 0.000 0.624 407 A CB -0.651 17.428 19.000 -1.535 0.000 0.822 407 A HN 0.338 nan 8.150 nan 0.000 0.444 408 I N -0.566 119.869 120.570 -0.225 0.000 2.179 408 I HA -0.313 3.856 4.170 -0.001 0.000 0.242 408 I C 2.825 178.879 176.117 -0.104 0.000 1.088 408 I CA 1.825 63.045 61.300 -0.133 0.000 1.357 408 I CB -0.355 37.596 38.000 -0.081 0.000 1.051 408 I HN 0.572 nan 8.210 nan 0.000 0.409 409 Q N 1.309 121.059 119.800 -0.083 0.000 2.061 409 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 409 Q C 2.366 178.336 176.000 -0.051 0.000 0.984 409 Q CA 1.818 57.590 55.803 -0.053 0.000 0.846 409 Q CB -0.110 28.610 28.738 -0.031 0.000 0.902 409 Q HN 0.505 nan 8.270 nan 0.000 0.421 410 L N 0.279 121.465 121.223 -0.062 0.000 2.027 410 L HA -0.142 4.198 4.340 -0.001 0.000 0.206 410 L C 2.699 179.539 176.870 -0.049 0.000 1.074 410 L CA 0.988 55.802 54.840 -0.043 0.000 0.745 410 L CB -0.690 41.349 42.059 -0.033 0.000 0.898 410 L HN 0.336 nan 8.230 nan 0.000 0.433 411 A N 0.369 123.137 122.820 -0.087 0.000 1.917 411 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 411 A C 1.925 179.472 177.584 -0.062 0.000 1.182 411 A CA 2.350 54.340 52.037 -0.078 0.000 0.633 411 A CB -0.900 18.032 19.000 -0.113 0.000 0.819 411 A HN 0.571 nan 8.150 nan 0.000 0.448 412 N N -0.588 118.070 118.700 -0.069 0.000 2.515 412 N HA -0.038 4.701 4.740 -0.001 0.000 0.185 412 N C -0.148 175.344 175.510 -0.031 0.000 1.109 412 N CA 0.340 53.354 53.050 -0.061 0.000 0.903 412 N CB 0.063 38.510 38.487 -0.067 0.000 0.969 412 N HN 0.345 nan 8.380 nan 0.000 0.450 413 D N 1.201 121.589 120.400 -0.019 0.000 2.619 413 D HA 0.088 4.727 4.640 -0.001 0.000 0.224 413 D C -0.721 175.588 176.300 0.015 0.000 1.133 413 D CA -0.149 53.849 54.000 -0.004 0.000 1.017 413 D CB -0.243 40.557 40.800 -0.001 0.000 1.077 413 D HN 0.151 nan 8.370 nan 0.000 0.503 414 S N 0.967 116.677 115.700 0.017 0.000 2.611 414 S HA 0.253 4.722 4.470 -0.001 0.000 0.268 414 S C 0.860 175.459 174.600 -0.002 0.000 1.156 414 S CA -0.869 57.356 58.200 0.042 0.000 0.817 414 S CB 0.201 63.471 63.200 0.117 0.000 1.122 414 S HN 0.189 nan 8.310 nan 0.000 0.466 415 I N -1.318 119.206 120.570 -0.076 0.000 3.428 415 I HA 0.342 4.511 4.170 -0.001 0.000 0.286 415 I C -0.210 175.765 176.117 -0.238 0.000 1.287 415 I CA 0.015 61.194 61.300 -0.200 0.000 1.396 415 I CB -0.360 37.440 38.000 -0.332 0.000 1.062 415 I HN 0.486 nan 8.210 nan 0.000 0.471 416 Y N 1.583 121.885 120.300 0.003 0.000 2.496 416 Y HA 0.705 5.254 4.550 -0.001 0.000 0.325 416 Y C 1.124 177.005 175.900 -0.032 0.000 1.271 416 Y CA -0.561 57.536 58.100 -0.004 0.000 1.368 416 Y CB 1.278 39.740 38.460 0.003 0.000 1.415 416 Y HN -0.057 nan 8.280 nan 0.000 0.527 417 G N 0.104 108.996 108.800 0.153 0.000 5.153 417 G HA2 0.147 4.107 3.960 -0.001 0.000 0.213 417 G HA3 0.147 4.107 3.960 -0.001 0.000 0.213 417 G C -0.335 174.505 174.900 -0.101 0.000 1.576 417 G CA -0.226 44.863 45.100 -0.019 0.000 0.640 417 G HN 0.491 nan 8.290 nan 0.000 0.237 418 L N 0.506 121.645 121.223 -0.140 0.000 2.121 418 L HA 0.861 5.200 4.340 -0.001 0.000 0.200 418 L C 1.054 177.618 176.870 -0.510 0.000 1.077 418 L CA 1.987 56.649 54.840 -0.297 0.000 0.766 418 L CB 0.103 42.031 42.059 -0.219 0.000 0.931 418 L HN 0.565 nan 8.230 nan 0.000 0.452 419 A N -2.432 120.137 122.820 -0.419 0.000 2.599 419 A HA 0.777 5.096 4.320 -0.001 0.000 0.290 419 A C -0.654 176.684 177.584 -0.409 0.000 1.101 419 A CA -0.029 51.650 52.037 -0.596 0.000 0.674 419 A CB 0.861 19.445 19.000 -0.694 0.000 1.277 419 A HN 0.519 nan 8.150 nan 0.000 0.419 420 G N -1.655 106.802 108.800 -0.571 0.000 2.451 420 G HA2 0.814 4.774 3.960 -0.001 0.000 0.292 420 G HA3 0.814 4.774 3.960 -0.001 0.000 0.292 420 G C -1.003 173.813 174.900 -0.139 0.000 1.427 420 G CA 0.427 45.412 45.100 -0.193 0.000 0.792 420 G HN 2.152 nan 8.290 nan 0.000 0.498 421 A N -0.978 121.945 122.820 0.171 0.000 2.515 421 A HA 0.899 5.218 4.320 -0.001 0.000 0.296 421 A C -1.264 176.435 177.584 0.191 0.000 1.094 421 A CA -0.699 51.481 52.037 0.239 0.000 0.718 421 A CB 2.152 21.489 19.000 0.562 0.000 1.307 421 A HN 1.647 nan 8.150 nan 0.000 0.408 422 V N 1.114 121.068 119.914 0.068 0.000 2.525 422 V HA 0.479 4.598 4.120 -0.001 0.000 0.299 422 V C -1.430 174.665 176.094 0.002 0.000 1.034 422 V CA -0.186 62.197 62.300 0.138 0.000 0.863 422 V CB 1.127 33.018 31.823 0.113 0.000 0.999 422 V HN 0.704 nan 8.190 nan 0.000 0.423 423 F N 3.003 123.084 119.950 0.219 0.000 2.411 423 F HA 0.749 5.276 4.527 -0.001 0.000 0.352 423 F C 0.450 176.397 175.800 0.245 0.000 1.123 423 F CA -0.099 58.012 58.000 0.186 0.000 1.044 423 F CB 1.957 41.033 39.000 0.127 0.000 1.135 423 F HN 0.494 nan 8.300 nan 0.000 0.461 424 S N 2.655 118.510 115.700 0.259 0.000 2.560 424 S HA 0.245 4.714 4.470 -0.001 0.000 0.283 424 S C 0.086 174.739 174.600 0.090 0.000 1.141 424 S CA -0.867 57.436 58.200 0.171 0.000 0.902 424 S CB 1.188 64.389 63.200 0.001 0.000 1.104 424 S HN 0.705 nan 8.310 nan 0.000 0.454 425 K N 1.156 121.609 120.400 0.088 0.000 2.365 425 K HA -0.002 4.317 4.320 -0.001 0.000 0.199 425 K C 0.030 176.640 176.600 0.015 0.000 1.045 425 K CA 0.493 56.816 56.287 0.059 0.000 0.962 425 K CB -0.019 32.522 32.500 0.070 0.000 0.759 425 K HN 0.499 nan 8.250 nan 0.000 0.469 426 D N 1.496 121.885 120.400 -0.017 0.000 2.435 426 D HA 0.004 4.644 4.640 -0.001 0.000 0.230 426 D C 0.999 177.256 176.300 -0.073 0.000 1.215 426 D CA -0.149 53.819 54.000 -0.053 0.000 0.947 426 D CB 0.355 41.100 40.800 -0.091 0.000 1.048 426 D HN -0.113 nan 8.370 nan 0.000 0.512 427 I N 2.876 123.419 120.570 -0.045 0.000 2.361 427 I HA -0.108 4.061 4.170 -0.001 0.000 0.251 427 I C 2.339 178.422 176.117 -0.058 0.000 1.133 427 I CA 0.791 62.064 61.300 -0.044 0.000 1.413 427 I CB -1.422 36.563 38.000 -0.025 0.000 1.073 427 I HN 0.441 nan 8.210 nan 0.000 0.424 428 G N 1.004 109.770 108.800 -0.057 0.000 2.446 428 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.217 428 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.217 428 G C 1.822 176.670 174.900 -0.086 0.000 1.168 428 G CA 1.030 46.094 45.100 -0.059 0.000 0.771 428 G HN 0.380 nan 8.290 nan 0.000 0.551 429 K N 0.544 120.867 120.400 -0.127 0.000 2.057 429 K HA 0.088 4.407 4.320 -0.001 0.000 0.207 429 K C 2.791 179.273 176.600 -0.198 0.000 1.049 429 K CA 1.269 57.438 56.287 -0.198 0.000 0.931 429 K CB -0.348 31.958 32.500 -0.324 0.000 0.714 429 K HN 0.193 nan 8.250 nan 0.000 0.440 430 A N 1.065 123.783 122.820 -0.169 0.000 1.940 430 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 430 A C 2.011 179.553 177.584 -0.070 0.000 1.176 430 A CA 1.652 53.626 52.037 -0.104 0.000 0.631 430 A CB -0.530 18.427 19.000 -0.071 0.000 0.814 430 A HN 0.507 nan 8.150 nan 0.000 0.446 431 Q N -0.880 118.879 119.800 -0.069 0.000 2.079 431 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 431 Q C 2.390 178.357 176.000 -0.054 0.000 0.974 431 Q CA 1.251 57.021 55.803 -0.055 0.000 0.840 431 Q CB -0.166 28.544 28.738 -0.046 0.000 0.898 431 Q HN 0.603 nan 8.270 nan 0.000 0.430 432 R N -0.042 120.423 120.500 -0.059 0.000 2.083 432 R HA -0.140 4.199 4.340 -0.001 0.000 0.237 432 R C 2.332 178.606 176.300 -0.044 0.000 1.137 432 R CA 1.536 57.606 56.100 -0.050 0.000 0.951 432 R CB -0.489 29.779 30.300 -0.053 0.000 0.851 432 R HN 0.128 nan 8.270 nan 0.000 0.434 433 V N 1.021 120.911 119.914 -0.040 0.000 2.295 433 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 433 V C 2.509 178.574 176.094 -0.049 0.000 1.049 433 V CA 1.961 64.250 62.300 -0.018 0.000 1.024 433 V CB -0.833 31.021 31.823 0.053 0.000 0.648 433 V HN 0.419 nan 8.190 nan 0.000 0.447 434 A N 0.418 123.203 122.820 -0.057 0.000 1.948 434 A HA -0.318 4.002 4.320 -0.001 0.000 0.220 434 A C 1.994 179.521 177.584 -0.095 0.000 1.177 434 A CA 2.543 54.527 52.037 -0.088 0.000 0.636 434 A CB -0.965 17.983 19.000 -0.086 0.000 0.815 434 A HN 0.693 nan 8.150 nan 0.000 0.449 435 N N -0.724 117.934 118.700 -0.070 0.000 2.381 435 N HA -0.076 4.663 4.740 -0.001 0.000 0.182 435 N C 1.401 176.873 175.510 -0.063 0.000 1.025 435 N CA 1.035 54.050 53.050 -0.059 0.000 0.888 435 N CB 0.056 38.518 38.487 -0.042 0.000 0.965 435 N HN 0.295 nan 8.380 nan 0.000 0.438 436 K N 0.238 120.596 120.400 -0.069 0.000 2.361 436 K HA 0.167 4.487 4.320 -0.001 0.000 0.194 436 K C -0.012 176.524 176.600 -0.108 0.000 1.032 436 K CA 0.051 56.296 56.287 -0.070 0.000 1.048 436 K CB 0.396 32.864 32.500 -0.053 0.000 0.842 436 K HN 0.214 nan 8.250 nan 0.000 0.526 437 L N 2.219 123.353 121.223 -0.147 0.000 2.360 437 L HA 0.110 4.449 4.340 -0.001 0.000 0.276 437 L C 0.355 177.015 176.870 -0.349 0.000 1.121 437 L CA -0.026 54.688 54.840 -0.211 0.000 0.845 437 L CB 0.308 42.239 42.059 -0.213 0.000 1.143 437 L HN -0.197 nan 8.230 nan 0.000 0.452 438 K N 6.027 126.189 120.400 -0.396 0.000 2.278 438 K HA 0.429 4.748 4.320 -0.001 0.000 0.237 438 K C -0.974 174.992 176.600 -1.057 0.000 1.229 438 K CA 0.108 55.951 56.287 -0.741 0.000 1.155 438 K CB -0.063 32.255 32.500 -0.303 0.000 1.590 438 K HN 0.440 nan 8.250 nan 0.000 0.290 439 L N -0.766 119.735 121.223 -1.204 0.000 2.422 439 L HA 0.317 4.656 4.340 -0.001 0.000 0.264 439 L C 1.364 177.871 176.870 -0.605 0.000 0.984 439 L CA -0.889 53.488 54.840 -0.772 0.000 0.819 439 L CB 1.965 43.722 42.059 -0.503 0.000 1.330 439 L HN 0.438 nan 8.230 nan 0.000 0.410 440 G N 0.795 109.424 108.800 -0.285 0.000 2.448 440 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.219 440 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.219 440 G C 0.445 175.143 174.900 -0.336 0.000 1.127 440 G CA 0.750 45.756 45.100 -0.156 0.000 0.766 440 G HN 0.503 nan 8.290 nan 0.000 0.552 441 T N -0.367 113.857 114.554 -0.550 0.000 2.921 441 T HA 0.517 4.866 4.350 -0.001 0.000 0.297 441 T C -1.142 173.082 174.700 -0.794 0.000 1.013 441 T CA -0.434 61.284 62.100 -0.637 0.000 0.990 441 T CB 2.752 71.173 68.868 -0.744 0.000 1.023 441 T HN -0.075 nan 8.240 nan 0.000 0.447 442 V N 3.390 122.915 119.914 -0.647 0.000 2.487 442 V HA 0.498 4.617 4.120 -0.001 0.000 0.298 442 V C -0.819 174.982 176.094 -0.487 0.000 1.028 442 V CA -1.038 60.923 62.300 -0.566 0.000 0.860 442 V CB 1.606 33.239 31.823 -0.316 0.000 0.991 442 V HN 0.777 nan 8.190 nan 0.000 0.427 443 W N 4.775 125.963 121.300 -0.188 0.000 2.390 443 W HA 0.618 5.277 4.660 -0.001 0.000 0.312 443 W C -0.388 175.998 176.519 -0.222 0.000 1.123 443 W CA -1.076 56.155 57.345 -0.190 0.000 1.202 443 W CB 1.403 30.721 29.460 -0.237 0.000 1.251 443 W HN 0.393 nan 8.180 nan 0.000 0.511 444 I N 4.891 125.466 120.570 0.008 0.000 2.330 444 I HA 0.071 4.240 4.170 -0.001 0.000 0.289 444 I C 0.132 176.120 176.117 -0.214 0.000 1.001 444 I CA -0.498 60.733 61.300 -0.116 0.000 1.193 444 I CB 0.594 38.554 38.000 -0.066 0.000 1.345 444 I HN 0.418 nan 8.210 nan 0.000 0.461 445 N N 3.896 122.273 118.700 -0.537 0.000 2.740 445 N HA -0.203 4.536 4.740 -0.001 0.000 0.248 445 N C -0.720 174.557 175.510 -0.388 0.000 1.062 445 N CA 0.995 53.651 53.050 -0.657 0.000 0.704 445 N CB -0.842 37.548 38.487 -0.162 0.000 0.968 445 N HN 0.690 nan 8.380 nan 0.000 0.547 446 D N -1.303 118.830 120.400 -0.446 0.000 2.665 446 D HA 0.620 5.260 4.640 -0.001 0.000 0.287 446 D C -1.481 174.805 176.300 -0.023 0.000 1.266 446 D CA -0.320 53.634 54.000 -0.076 0.000 0.830 446 D CB 1.290 42.031 40.800 -0.098 0.000 1.356 446 D HN -0.071 nan 8.370 nan 0.000 0.437 447 F N 1.340 121.088 119.950 -0.337 0.000 2.604 447 F HA 0.328 4.854 4.527 -0.001 0.000 0.316 447 F C 0.394 175.600 175.800 -0.990 0.000 1.136 447 F CA -0.224 57.345 58.000 -0.718 0.000 0.989 447 F CB 1.021 39.847 39.000 -0.290 0.000 1.258 447 F HN 0.544 nan 8.300 nan 0.000 0.451 448 H N 0.135 118.030 119.070 -1.959 0.000 4.345 448 H HA -0.101 4.454 4.556 -0.001 0.000 0.114 448 H C -2.299 172.621 175.328 -0.679 0.000 0.634 448 H CA 0.897 56.377 56.048 -0.947 0.000 1.188 448 H CB -2.168 27.478 29.762 -0.194 0.000 0.541 448 H HN 0.306 nan 8.280 nan 0.000 0.669 449 P HA 0.152 nan 4.420 nan 0.000 0.267 449 P C -0.457 176.899 177.300 0.093 0.000 1.209 449 P CA 0.695 63.682 63.100 -0.188 0.000 0.763 449 P CB -0.033 31.660 31.700 -0.011 0.000 0.816 450 Y N 2.422 122.706 120.300 -0.027 0.000 2.553 450 Y HA 0.837 5.386 4.550 -0.001 0.000 0.347 450 Y C -0.799 174.958 175.900 -0.238 0.000 1.019 450 Y CA -1.978 55.935 58.100 -0.311 0.000 1.032 450 Y CB 1.149 39.248 38.460 -0.603 0.000 1.284 450 Y HN 0.330 nan 8.280 nan 0.000 0.466 451 F N -1.717 118.265 119.950 0.054 0.000 2.719 451 F HA 0.771 5.297 4.527 -0.001 0.000 0.309 451 F C 0.468 176.103 175.800 -0.274 0.000 1.138 451 F CA -1.388 56.570 58.000 -0.070 0.000 0.943 451 F CB 0.982 39.941 39.000 -0.068 0.000 1.304 451 F HN 0.671 nan 8.300 nan 0.000 0.445 452 A N 0.181 122.937 122.820 -0.107 0.000 2.024 452 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 452 A C 1.657 178.647 177.584 -0.990 0.000 1.164 452 A CA 2.028 53.730 52.037 -0.558 0.000 0.643 452 A CB -0.793 17.887 19.000 -0.534 0.000 0.806 452 A HN 0.833 nan 8.150 nan 0.000 0.451 453 Q N -0.582 118.892 119.800 -0.543 0.000 2.364 453 Q HA 0.294 4.633 4.340 -0.001 0.000 0.207 453 Q C 0.638 176.562 176.000 -0.128 0.000 0.970 453 Q CA 1.074 56.617 55.803 -0.433 0.000 0.888 453 Q CB -0.288 28.413 28.738 -0.061 0.000 0.951 453 Q HN 0.645 nan 8.270 nan 0.000 0.469 454 A N 1.027 123.806 122.820 -0.068 0.000 2.371 454 A HA 0.618 4.937 4.320 -0.001 0.000 0.311 454 A C -2.623 174.885 177.584 -0.127 0.000 1.068 454 A CA -1.915 50.080 52.037 -0.071 0.000 0.744 454 A CB 1.055 19.993 19.000 -0.103 0.000 1.239 454 A HN -0.102 nan 8.150 nan 0.000 0.435 455 P HA 0.130 nan 4.420 nan 0.000 0.271 455 P C -0.877 176.441 177.300 0.030 0.000 1.218 455 P CA -0.006 63.082 63.100 -0.020 0.000 0.780 455 P CB 0.723 32.421 31.700 -0.002 0.000 0.901 456 W N 3.072 124.258 121.300 -0.189 0.000 2.781 456 W HA 0.559 5.219 4.660 -0.001 0.000 0.333 456 W C -1.027 175.449 176.519 -0.072 0.000 1.047 456 W CA -0.058 57.191 57.345 -0.161 0.000 1.236 456 W CB 2.493 31.800 29.460 -0.256 0.000 1.394 456 W HN 0.734 nan 8.180 nan 0.000 0.466 457 G N 1.798 110.349 108.800 -0.414 0.000 2.322 457 G HA2 0.436 4.395 3.960 -0.001 0.000 0.295 457 G HA3 0.436 4.395 3.960 -0.001 0.000 0.295 457 G C -1.567 173.163 174.900 -0.284 0.000 1.369 457 G CA -0.277 44.662 45.100 -0.268 0.000 0.821 457 G HN 0.688 nan 8.290 nan 0.000 0.536 458 G N -1.243 107.482 108.800 -0.126 0.000 2.420 458 G HA2 0.634 4.593 3.960 -0.001 0.000 0.331 458 G HA3 0.634 4.593 3.960 -0.001 0.000 0.331 458 G C -0.757 174.189 174.900 0.076 0.000 1.168 458 G CA -0.617 44.460 45.100 -0.039 0.000 0.936 458 G HN 0.536 nan 8.290 nan 0.000 0.479 459 Y N 1.005 121.236 120.300 -0.114 0.000 2.281 459 Y HA 0.264 4.813 4.550 -0.001 0.000 0.337 459 Y C 1.487 177.360 175.900 -0.045 0.000 1.304 459 Y CA -0.003 58.050 58.100 -0.078 0.000 1.465 459 Y CB 0.855 39.265 38.460 -0.083 0.000 1.350 459 Y HN 0.771 nan 8.280 nan 0.000 0.575 460 K N -0.541 119.929 120.400 0.117 0.000 1.779 460 K HA -0.376 3.943 4.320 -0.001 0.000 0.128 460 K C 0.729 177.343 176.600 0.022 0.000 1.288 460 K CA 1.906 58.223 56.287 0.050 0.000 0.398 460 K CB -0.781 31.750 32.500 0.051 0.000 0.609 460 K HN 0.730 nan 8.250 nan 0.000 0.874 461 Q N 0.450 120.240 119.800 -0.016 0.000 2.444 461 Q HA 0.099 4.439 4.340 -0.001 0.000 0.206 461 Q C 1.121 177.180 176.000 0.099 0.000 0.948 461 Q CA 0.460 56.240 55.803 -0.038 0.000 0.946 461 Q CB 0.331 28.938 28.738 -0.218 0.000 1.027 461 Q HN 0.336 nan 8.270 nan 0.000 0.513 462 S N -0.121 115.684 115.700 0.175 0.000 2.527 462 S HA 0.154 4.623 4.470 -0.001 0.000 0.222 462 S C 0.601 175.268 174.600 0.112 0.000 0.985 462 S CA 0.535 58.866 58.200 0.218 0.000 0.921 462 S CB 0.468 63.764 63.200 0.159 0.000 0.772 462 S HN 0.578 nan 8.310 nan 0.000 0.529 463 G N 0.185 109.031 108.800 0.078 0.000 2.327 463 G HA2 0.394 4.354 3.960 -0.001 0.000 0.291 463 G HA3 0.394 4.354 3.960 -0.001 0.000 0.291 463 G C -2.094 172.821 174.900 0.025 0.000 1.290 463 G CA -0.967 44.168 45.100 0.059 0.000 0.857 463 G HN 0.140 nan 8.290 nan 0.000 0.520 464 I N 0.981 121.565 120.570 0.023 0.000 2.534 464 I HA 0.620 4.789 4.170 -0.001 0.000 0.288 464 I C 0.632 176.746 176.117 -0.005 0.000 1.077 464 I CA 0.429 61.726 61.300 -0.005 0.000 1.051 464 I CB 1.715 39.713 38.000 -0.003 0.000 1.234 464 I HN 1.927 nan 8.210 nan 0.000 0.425 465 G N 5.342 114.125 108.800 -0.029 0.000 2.698 465 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.225 465 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.225 465 G C -1.111 173.784 174.900 -0.008 0.000 1.345 465 G CA -0.891 44.195 45.100 -0.024 0.000 0.871 465 G HN 0.540 nan 8.290 nan 0.000 0.540 466 R N 0.179 120.687 120.500 0.013 0.000 2.795 466 R HA 0.621 4.961 4.340 -0.001 0.000 0.275 466 R C -0.382 175.971 176.300 0.089 0.000 0.981 466 R CA -0.715 55.410 56.100 0.042 0.000 0.917 466 R CB 1.800 32.113 30.300 0.022 0.000 1.202 466 R HN 0.761 nan 8.270 nan 0.000 0.469 467 E N 1.720 121.993 120.200 0.120 0.000 2.263 467 E HA 0.580 4.930 4.350 -0.001 0.000 0.264 467 E C -0.324 176.262 176.600 -0.022 0.000 0.923 467 E CA -0.904 55.561 56.400 0.108 0.000 0.802 467 E CB 1.901 31.727 29.700 0.211 0.000 1.228 467 E HN 0.345 nan 8.360 nan 0.000 0.417 468 L N -0.036 121.182 121.223 -0.009 0.000 0.585 468 L HA -0.270 4.069 4.340 -0.001 0.000 0.356 468 L C 0.589 177.490 176.870 0.051 0.000 0.973 468 L CA 0.797 55.608 54.840 -0.048 0.000 1.223 468 L CB -1.336 40.441 42.059 -0.470 0.000 0.012 468 L HN 1.019 nan 8.230 nan 0.000 0.091 469 G N 0.568 109.302 108.800 -0.110 0.000 2.804 469 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.230 469 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.230 469 G C 0.279 175.344 174.900 0.276 0.000 1.386 469 G CA 0.462 45.567 45.100 0.008 0.000 0.875 469 G HN 0.899 nan 8.290 nan 0.000 0.557 470 K N 0.200 120.739 120.400 0.232 0.000 2.097 470 K HA -0.063 4.256 4.320 -0.001 0.000 0.206 470 K C 2.344 179.057 176.600 0.189 0.000 1.049 470 K CA 2.001 58.417 56.287 0.216 0.000 0.933 470 K CB -0.099 32.483 32.500 0.136 0.000 0.717 470 K HN 0.572 nan 8.250 nan 0.000 0.442 471 E N 0.069 120.352 120.200 0.137 0.000 2.268 471 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 471 E C 1.976 178.653 176.600 0.128 0.000 0.995 471 E CA 1.006 57.466 56.400 0.100 0.000 0.836 471 E CB -0.179 29.552 29.700 0.052 0.000 0.763 471 E HN 0.437 nan 8.360 nan 0.000 0.491 472 G N 0.793 109.712 108.800 0.198 0.000 2.394 472 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 472 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 472 G C 1.514 176.573 174.900 0.266 0.000 1.165 472 G CA 0.392 45.632 45.100 0.233 0.000 0.784 472 G HN 0.210 nan 8.290 nan 0.000 0.535 473 L N 0.635 122.071 121.223 0.355 0.000 2.042 473 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 473 L C 2.643 179.650 176.870 0.228 0.000 1.076 473 L CA 1.905 56.919 54.840 0.290 0.000 0.749 473 L CB -0.345 41.925 42.059 0.351 0.000 0.893 473 L HN 0.322 nan 8.230 nan 0.000 0.432 474 E N -0.758 119.541 120.200 0.166 0.000 2.333 474 E HA -0.194 4.156 4.350 -0.001 0.000 0.198 474 E C 1.855 178.479 176.600 0.040 0.000 1.007 474 E CA 0.740 57.197 56.400 0.095 0.000 0.845 474 E CB -0.042 29.698 29.700 0.066 0.000 0.766 474 E HN 0.523 nan 8.360 nan 0.000 0.507 475 E N -0.040 120.165 120.200 0.008 0.000 2.204 475 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 475 E C 0.913 177.312 176.600 -0.335 0.000 0.990 475 E CA 1.028 57.316 56.400 -0.188 0.000 0.821 475 E CB -0.067 29.448 29.700 -0.308 0.000 0.750 475 E HN 0.495 nan 8.360 nan 0.000 0.477 476 Y N -0.109 120.193 120.300 0.004 0.000 2.493 476 Y HA 0.240 4.789 4.550 -0.001 0.000 0.275 476 Y C 0.767 176.683 175.900 0.026 0.000 1.183 476 Y CA -0.040 58.064 58.100 0.007 0.000 1.258 476 Y CB 0.357 38.812 38.460 -0.009 0.000 1.108 476 Y HN -0.154 nan 8.280 nan 0.000 0.521 477 L N -0.412 120.869 121.223 0.097 0.000 2.323 477 L HA 0.721 5.060 4.340 -0.001 0.000 0.265 477 L C -0.956 175.938 176.870 0.040 0.000 1.012 477 L CA -1.244 53.645 54.840 0.082 0.000 0.820 477 L CB 2.489 44.596 42.059 0.081 0.000 1.334 477 L HN -0.309 nan 8.230 nan 0.000 0.427 478 V N 0.528 120.470 119.914 0.047 0.000 2.789 478 V HA 0.518 4.637 4.120 -0.001 0.000 0.311 478 V C -0.495 175.622 176.094 0.039 0.000 1.073 478 V CA -0.198 62.120 62.300 0.031 0.000 0.921 478 V CB 2.477 34.316 31.823 0.026 0.000 1.009 478 V HN 0.800 nan 8.190 nan 0.000 0.426 479 S N 5.732 121.450 115.700 0.030 0.000 2.525 479 S HA 0.507 4.976 4.470 -0.001 0.000 0.278 479 S C -0.543 174.085 174.600 0.047 0.000 1.234 479 S CA -0.415 57.807 58.200 0.036 0.000 1.058 479 S CB 0.940 64.154 63.200 0.024 0.000 0.983 479 S HN 0.722 nan 8.310 nan 0.000 0.495 480 K N 2.228 122.664 120.400 0.059 0.000 2.463 480 K HA 0.215 4.535 4.320 -0.001 0.000 0.255 480 K C -1.143 175.528 176.600 0.119 0.000 0.942 480 K CA -0.516 55.815 56.287 0.074 0.000 0.814 480 K CB 0.897 33.430 32.500 0.055 0.000 1.122 480 K HN 0.870 nan 8.250 nan 0.000 0.425 481 H N 6.299 125.372 119.070 0.005 0.000 2.705 481 H HA 0.261 4.816 4.556 -0.001 0.000 0.291 481 H C -0.797 174.533 175.328 0.003 0.000 1.085 481 H CA -0.608 55.442 56.048 0.003 0.000 1.357 481 H CB 0.491 30.253 29.762 -0.000 0.000 1.419 481 H HN 0.488 nan 8.280 nan 0.000 0.462 482 I N 7.495 128.085 120.570 0.033 0.000 2.330 482 I HA 0.134 4.303 4.170 -0.001 0.000 0.289 482 I C -0.592 175.443 176.117 -0.138 0.000 1.001 482 I CA -0.469 60.777 61.300 -0.090 0.000 1.193 482 I CB 1.548 39.539 38.000 -0.014 0.000 1.345 482 I HN 0.439 nan 8.210 nan 0.000 0.461 483 L N 6.745 127.803 121.223 -0.274 0.000 2.305 483 L HA 0.542 4.882 4.340 -0.001 0.000 0.284 483 L C -0.561 176.254 176.870 -0.093 0.000 1.013 483 L CA 0.009 54.736 54.840 -0.187 0.000 0.819 483 L CB 1.444 43.322 42.059 -0.301 0.000 1.227 483 L HN 0.495 nan 8.230 nan 0.000 0.417 484 T N 3.319 117.850 114.554 -0.038 0.000 2.771 484 T HA 0.270 4.619 4.350 -0.001 0.000 0.281 484 T C -0.309 174.384 174.700 -0.012 0.000 0.982 484 T CA -0.432 61.654 62.100 -0.023 0.000 0.978 484 T CB 0.808 69.669 68.868 -0.011 0.000 0.930 484 T HN 0.489 nan 8.240 nan 0.000 0.447 485 N N 2.313 121.006 118.700 -0.013 0.000 2.420 485 N HA 0.085 4.824 4.740 -0.001 0.000 0.249 485 N C 1.157 176.667 175.510 -0.001 0.000 1.033 485 N CA -0.297 52.750 53.050 -0.004 0.000 0.944 485 N CB 1.213 39.697 38.487 -0.005 0.000 1.113 485 N HN 0.705 nan 8.380 nan 0.000 0.502 486 T N 0.011 114.567 114.554 0.003 0.000 3.129 486 T HA 0.103 4.452 4.350 -0.001 0.000 0.251 486 T C 0.468 175.171 174.700 0.004 0.000 1.117 486 T CA 0.003 62.105 62.100 0.003 0.000 1.034 486 T CB -0.142 68.729 68.868 0.005 0.000 0.968 486 T HN 0.422 nan 8.240 nan 0.000 0.526 487 N N 2.196 120.899 118.700 0.005 0.000 2.711 487 N HA 0.325 5.064 4.740 -0.001 0.000 0.263 487 N C -3.202 172.313 175.510 0.008 0.000 1.667 487 N CA -1.626 51.428 53.050 0.007 0.000 0.785 487 N CB 1.213 39.704 38.487 0.007 0.000 1.231 487 N HN 0.107 nan 8.380 nan 0.000 0.503 488 P HA 0.185 nan 4.420 nan 0.000 0.271 488 P C -0.896 176.412 177.300 0.013 0.000 1.220 488 P CA 0.055 63.161 63.100 0.009 0.000 0.768 488 P CB 1.038 32.742 31.700 0.007 0.000 0.848 489 Q N 1.596 121.407 119.800 0.017 0.000 2.423 489 Q HA 0.421 4.760 4.340 -0.001 0.000 0.278 489 Q C -0.299 175.718 176.000 0.029 0.000 1.097 489 Q CA -1.195 54.620 55.803 0.021 0.000 0.809 489 Q CB 1.705 30.455 28.738 0.020 0.000 1.391 489 Q HN 0.282 nan 8.270 nan 0.000 0.428 490 L N 0.743 121.987 121.223 0.034 0.000 2.461 490 L HA 0.039 4.378 4.340 -0.001 0.000 0.272 490 L C 1.490 178.394 176.870 0.057 0.000 1.197 490 L CA 0.480 55.349 54.840 0.048 0.000 0.836 490 L CB 0.219 42.309 42.059 0.052 0.000 1.105 490 L HN 0.533 nan 8.230 nan 0.000 0.477 491 V N 0.638 120.598 119.914 0.077 0.000 2.535 491 V HA -0.068 4.052 4.120 -0.001 0.000 0.246 491 V C 0.815 176.977 176.094 0.114 0.000 1.045 491 V CA 0.668 63.025 62.300 0.095 0.000 1.058 491 V CB -0.652 31.235 31.823 0.107 0.000 0.689 491 V HN 0.985 nan 8.190 nan 0.000 0.461 492 N N -1.036 117.739 118.700 0.126 0.000 2.735 492 N HA -0.241 4.499 4.740 -0.001 0.000 0.248 492 N C 0.594 176.166 175.510 0.104 0.000 1.083 492 N CA 1.059 54.175 53.050 0.110 0.000 0.703 492 N CB -1.423 37.099 38.487 0.058 0.000 1.005 492 N HN 0.799 nan 8.380 nan 0.000 0.550 493 W N 0.371 121.620 121.300 -0.086 0.000 2.407 493 W HA 0.018 4.677 4.660 -0.001 0.000 0.305 493 W C 0.164 176.488 176.519 -0.324 0.000 1.196 493 W CA 0.854 58.044 57.345 -0.259 0.000 1.311 493 W CB -0.193 29.017 29.460 -0.416 0.000 1.135 493 W HN 0.042 nan 8.180 nan 0.000 0.514 494 F N 1.984 122.123 119.950 0.316 0.000 2.384 494 F HA 0.174 4.700 4.527 -0.001 0.000 0.338 494 F C 1.173 177.013 175.800 0.066 0.000 1.103 494 F CA -0.308 57.801 58.000 0.182 0.000 1.157 494 F CB 0.672 39.796 39.000 0.207 0.000 1.167 494 F HN -0.408 nan 8.300 nan 0.000 0.529 495 S N 2.606 118.439 115.700 0.221 0.000 2.552 495 S HA 0.086 4.555 4.470 -0.001 0.000 0.289 495 S C 0.213 174.875 174.600 0.103 0.000 1.304 495 S CA -0.313 57.952 58.200 0.108 0.000 1.063 495 S CB 0.266 63.514 63.200 0.079 0.000 0.848 495 S HN 0.464 nan 8.310 nan 0.000 0.499 496 K N 0.000 120.439 120.400 0.065 0.000 2.780 496 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 496 K CA 0.000 56.318 56.287 0.052 0.000 0.838 496 K CB 0.000 32.526 32.500 0.044 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543