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 3fbm_1_A DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVANLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.617 174.700 -0.139 0.000 1.109 8 T CA 0.000 62.005 62.100 -0.158 0.000 1.349 8 T CB 0.000 68.816 68.868 -0.086 0.000 0.612 9 Q N 1.057 120.759 119.800 -0.163 0.000 2.421 9 Q HA 0.756 5.096 4.340 0.000 0.000 0.242 9 Q C 0.953 176.880 176.000 -0.123 0.000 1.024 9 Q CA 1.146 56.877 55.803 -0.121 0.000 0.891 9 Q CB 0.028 28.700 28.738 -0.109 0.000 1.222 9 Q HN 2.487 nan 8.270 nan 0.000 0.483 10 Q N 0.541 120.272 119.800 -0.114 0.000 1.802 10 Q HA -0.149 4.191 4.340 0.000 0.000 0.335 10 Q C 0.666 176.582 176.000 -0.140 0.000 0.998 10 Q CA 2.505 58.239 55.803 -0.114 0.000 0.959 10 Q CB -2.632 26.051 28.738 -0.090 0.000 2.323 10 Q HN 2.367 nan 8.270 nan 0.000 0.689 11 I N -3.795 116.701 120.570 -0.123 0.000 2.739 11 I HA 0.639 4.809 4.170 0.000 0.000 0.288 11 I C -0.397 175.679 176.117 -0.067 0.000 1.582 11 I CA -0.774 60.460 61.300 -0.111 0.000 1.035 11 I CB 1.150 39.080 38.000 -0.117 0.000 1.432 11 I HN 0.856 nan 8.210 nan 0.000 0.444 12 V N 6.348 126.235 119.914 -0.045 0.000 2.439 12 V HA 0.159 4.280 4.120 0.000 0.000 0.271 12 V C -1.190 174.946 176.094 0.070 0.000 1.040 12 V CA -0.693 61.605 62.300 -0.003 0.000 1.002 12 V CB 0.762 32.593 31.823 0.013 0.000 1.000 12 V HN 0.695 nan 8.190 nan 0.000 0.477 13 P HA -0.242 nan 4.420 nan 0.000 0.217 13 P C 1.613 178.986 177.300 0.122 0.000 1.162 13 P CA 1.535 64.684 63.100 0.081 0.000 0.901 13 P CB 0.030 31.778 31.700 0.080 0.000 0.793 14 F N -0.304 119.666 119.950 0.033 0.000 2.102 14 F HA -0.178 4.349 4.527 0.000 0.000 0.298 14 F C 1.939 177.784 175.800 0.076 0.000 1.105 14 F CA 1.397 59.419 58.000 0.036 0.000 1.239 14 F CB -0.900 38.098 39.000 -0.004 0.000 0.991 14 F HN -0.242 nan 8.300 nan 0.000 0.474 15 I N 0.508 121.106 120.570 0.046 0.000 2.286 15 I HA -0.237 3.933 4.170 0.000 0.000 0.248 15 I C 2.601 178.735 176.117 0.028 0.000 1.115 15 I CA 1.287 62.605 61.300 0.030 0.000 1.392 15 I CB -0.949 37.228 38.000 0.295 0.000 1.065 15 I HN 0.094 nan 8.210 nan 0.000 0.418 16 R N -0.322 120.246 120.500 0.114 0.000 2.096 16 R HA -0.168 4.172 4.340 0.000 0.000 0.235 16 R C 2.488 178.812 176.300 0.040 0.000 1.127 16 R CA 1.738 57.937 56.100 0.164 0.000 0.968 16 R CB -0.231 30.133 30.300 0.107 0.000 0.861 16 R HN 0.314 nan 8.270 nan 0.000 0.440 17 S N 0.112 115.764 115.700 -0.080 0.000 2.377 17 S HA -0.078 4.392 4.470 0.000 0.000 0.223 17 S C 1.822 176.299 174.600 -0.206 0.000 1.030 17 S CA 0.757 58.881 58.200 -0.127 0.000 0.970 17 S CB -0.186 62.932 63.200 -0.135 0.000 0.830 17 S HN 0.329 nan 8.310 nan 0.000 0.473 18 L N 1.695 122.676 121.223 -0.403 0.000 1.994 18 L HA 0.072 4.413 4.340 0.000 0.000 0.208 18 L C 2.009 178.807 176.870 -0.120 0.000 1.071 18 L CA 1.861 56.493 54.840 -0.346 0.000 0.745 18 L CB -0.563 41.203 42.059 -0.488 0.000 0.892 18 L HN 0.376 nan 8.230 nan 0.000 0.431 19 L N -1.534 119.647 121.223 -0.070 0.000 2.313 19 L HA 0.008 4.348 4.340 0.000 0.000 0.214 19 L C 0.701 177.662 176.870 0.151 0.000 1.119 19 L CA 0.491 55.359 54.840 0.048 0.000 0.809 19 L CB -0.103 41.924 42.059 -0.053 0.000 0.933 19 L HN 0.261 nan 8.230 nan 0.000 0.449 20 M N -0.962 118.699 119.600 0.101 0.000 2.353 20 M HA 0.234 4.714 4.480 0.000 0.000 0.218 20 M C -2.008 174.326 176.300 0.057 0.000 1.044 20 M CA -1.224 54.156 55.300 0.134 0.000 0.615 20 M CB 1.650 34.326 32.600 0.126 0.000 1.531 20 M HN -0.272 nan 8.290 nan 0.000 0.378 21 P HA -0.180 nan 4.420 nan 0.000 0.217 21 P C 1.375 178.670 177.300 -0.008 0.000 1.148 21 P CA 1.614 64.698 63.100 -0.027 0.000 0.828 21 P CB -0.158 31.505 31.700 -0.061 0.000 0.783 22 T N -5.432 109.132 114.554 0.017 0.000 3.025 22 T HA -0.094 4.256 4.350 0.000 0.000 0.270 22 T C 1.577 176.289 174.700 0.021 0.000 1.126 22 T CA 1.525 63.638 62.100 0.020 0.000 1.105 22 T CB -1.442 67.448 68.868 0.037 0.000 0.884 22 T HN 0.059 nan 8.240 nan 0.000 0.522 23 T N 0.836 115.403 114.554 0.021 0.000 2.942 23 T HA 0.467 4.817 4.350 0.000 0.000 0.265 23 T C 1.019 175.729 174.700 0.017 0.000 1.062 23 T CA 0.950 63.061 62.100 0.018 0.000 1.139 23 T CB -0.416 68.466 68.868 0.023 0.000 0.883 23 T HN 0.913 nan 8.240 nan 0.000 0.468 24 G N 1.295 110.103 108.800 0.013 0.000 2.369 24 G HA2 0.248 4.208 3.960 0.000 0.000 0.307 24 G HA3 0.248 4.208 3.960 0.000 0.000 0.307 24 G C -3.359 171.551 174.900 0.017 0.000 1.327 24 G CA -1.063 44.049 45.100 0.020 0.000 0.963 24 G HN -0.010 nan 8.290 nan 0.000 0.590 25 P HA 0.676 nan 4.420 nan 0.000 0.281 25 P C -0.603 176.749 177.300 0.086 0.000 1.264 25 P CA 0.023 63.154 63.100 0.052 0.000 0.824 25 P CB 2.153 33.897 31.700 0.073 0.000 1.092 26 A N 0.820 123.719 122.820 0.132 0.000 2.574 26 A HA 0.541 4.861 4.320 0.000 0.000 0.297 26 A C -0.390 177.352 177.584 0.262 0.000 1.062 26 A CA -0.528 51.623 52.037 0.191 0.000 0.686 26 A CB 0.769 19.889 19.000 0.201 0.000 1.285 26 A HN 0.391 nan 8.150 nan 0.000 0.403 27 S N 0.909 116.754 115.700 0.242 0.000 2.572 27 S HA 0.386 4.856 4.470 0.000 0.000 0.279 27 S C 0.291 174.929 174.600 0.064 0.000 1.341 27 S CA -0.110 58.219 58.200 0.215 0.000 1.043 27 S CB 0.136 63.505 63.200 0.282 0.000 0.887 27 S HN 0.472 nan 8.310 nan 0.000 0.516 28 I N 4.631 125.133 120.570 -0.113 0.000 2.471 28 I HA 0.170 4.340 4.170 0.000 0.000 0.286 28 I C -1.468 174.373 176.117 -0.460 0.000 1.079 28 I CA -1.765 59.210 61.300 -0.542 0.000 1.398 28 I CB 0.678 38.440 38.000 -0.397 0.000 1.403 28 I HN 0.440 nan 8.210 nan 0.000 0.530 29 P HA 0.063 nan 4.420 nan 0.000 0.237 29 P C -1.006 176.131 177.300 -0.272 0.000 1.723 29 P CA -0.183 62.710 63.100 -0.345 0.000 0.882 29 P CB -0.489 31.008 31.700 -0.338 0.000 1.810 30 D N -1.193 119.067 120.400 -0.234 0.000 2.567 30 D HA 0.109 4.749 4.640 0.000 0.000 0.275 30 D C 0.615 176.899 176.300 -0.027 0.000 1.195 30 D CA -0.606 53.319 54.000 -0.125 0.000 1.087 30 D CB 0.070 40.811 40.800 -0.098 0.000 1.165 30 D HN -0.207 nan 8.370 nan 0.000 0.609 31 D N -1.153 119.251 120.400 0.007 0.000 2.349 31 D HA -0.008 4.632 4.640 0.000 0.000 0.224 31 D C 0.051 176.385 176.300 0.057 0.000 1.029 31 D CA 0.549 54.569 54.000 0.032 0.000 0.879 31 D CB -0.212 40.605 40.800 0.029 0.000 0.906 31 D HN 0.283 nan 8.370 nan 0.000 0.528 32 T N 2.089 116.684 114.554 0.068 0.000 3.781 32 T HA 0.184 4.534 4.350 0.000 0.000 0.286 32 T C 0.784 175.582 174.700 0.163 0.000 1.277 32 T CA -0.146 62.025 62.100 0.117 0.000 1.136 32 T CB -0.267 68.682 68.868 0.134 0.000 1.202 32 T HN 0.024 nan 8.240 nan 0.000 0.884 33 L N 3.792 125.113 121.223 0.163 0.000 2.385 33 L HA 0.297 4.637 4.340 0.000 0.000 0.285 33 L C 0.754 177.803 176.870 0.298 0.000 1.125 33 L CA -0.016 54.980 54.840 0.259 0.000 0.890 33 L CB 0.049 42.234 42.059 0.210 0.000 1.251 33 L HN 0.368 nan 8.230 nan 0.000 0.445 34 E N 2.994 123.331 120.200 0.229 0.000 2.277 34 E HA 0.352 4.702 4.350 0.000 0.000 0.266 34 E C -0.806 175.721 176.600 -0.121 0.000 0.901 34 E CA -0.951 55.425 56.400 -0.038 0.000 0.782 34 E CB 2.620 32.111 29.700 -0.349 0.000 1.228 34 E HN 0.310 nan 8.360 nan 0.000 0.424 35 K N 3.171 123.295 120.400 -0.460 0.000 2.310 35 K HA 0.137 4.457 4.320 0.000 0.000 0.290 35 K C 0.159 176.664 176.600 -0.157 0.000 1.077 35 K CA -0.094 55.888 56.287 -0.509 0.000 0.922 35 K CB 0.282 32.454 32.500 -0.545 0.000 1.057 35 K HN 0.502 nan 8.250 nan 0.000 0.479 36 H N -0.084 118.924 119.070 -0.105 0.000 3.048 36 H HA 0.512 5.068 4.556 0.000 0.000 0.296 36 H C -0.996 174.369 175.328 0.062 0.000 1.508 36 H CA -0.795 55.271 56.048 0.029 0.000 1.250 36 H CB 1.870 31.742 29.762 0.184 0.000 1.896 36 H HN 0.392 nan 8.280 nan 0.000 0.604 37 T N 0.362 114.989 114.554 0.122 0.000 2.903 37 T HA 0.547 4.897 4.350 0.000 0.000 0.299 37 T C -1.194 173.628 174.700 0.202 0.000 1.093 37 T CA -0.756 61.390 62.100 0.077 0.000 1.002 37 T CB 1.049 69.991 68.868 0.124 0.000 1.127 37 T HN 0.440 nan 8.240 nan 0.000 0.488 38 L N 3.617 124.932 121.223 0.153 0.000 2.307 38 L HA 0.786 5.126 4.340 0.000 0.000 0.284 38 L C -0.009 176.937 176.870 0.127 0.000 1.023 38 L CA -0.862 54.081 54.840 0.172 0.000 0.810 38 L CB 1.630 43.786 42.059 0.163 0.000 1.231 38 L HN 0.538 nan 8.230 nan 0.000 0.423 39 R N 0.888 121.466 120.500 0.130 0.000 2.740 39 R HA 0.632 4.973 4.340 0.000 0.000 0.273 39 R C -1.349 175.049 176.300 0.163 0.000 0.998 39 R CA -0.535 55.642 56.100 0.128 0.000 0.900 39 R CB 2.517 32.875 30.300 0.097 0.000 1.223 39 R HN 0.528 nan 8.270 nan 0.000 0.466 40 S N 1.056 116.840 115.700 0.140 0.000 2.503 40 S HA 0.541 5.011 4.470 0.000 0.000 0.301 40 S C -1.184 173.516 174.600 0.167 0.000 1.087 40 S CA -0.879 57.395 58.200 0.124 0.000 1.042 40 S CB 1.614 64.855 63.200 0.068 0.000 1.043 40 S HN 0.303 nan 8.310 nan 0.000 0.489 41 E N 2.447 122.774 120.200 0.211 0.000 2.224 41 E HA 0.354 4.704 4.350 0.000 0.000 0.265 41 E C -0.394 176.305 176.600 0.165 0.000 0.878 41 E CA -0.481 56.050 56.400 0.218 0.000 0.759 41 E CB 1.975 31.874 29.700 0.332 0.000 1.164 41 E HN 0.730 nan 8.360 nan 0.000 0.414 42 T N -0.569 114.055 114.554 0.118 0.000 2.882 42 T HA 0.551 4.902 4.350 0.000 0.000 0.287 42 T C 0.257 175.022 174.700 0.108 0.000 1.014 42 T CA -0.662 61.492 62.100 0.090 0.000 1.049 42 T CB 0.892 69.794 68.868 0.056 0.000 1.001 42 T HN 0.128 nan 8.240 nan 0.000 0.525 43 S N 1.325 117.091 115.700 0.109 0.000 2.779 43 S HA 0.581 5.051 4.470 0.000 0.000 0.293 43 S C -0.393 174.278 174.600 0.118 0.000 1.150 43 S CA -0.966 57.331 58.200 0.161 0.000 1.057 43 S CB 1.252 64.613 63.200 0.268 0.000 1.021 43 S HN 1.072 nan 8.310 nan 0.000 0.485 44 T N 1.076 115.603 114.554 -0.045 0.000 2.841 44 T HA 0.780 5.130 4.350 0.000 0.000 0.285 44 T C -1.184 173.331 174.700 -0.308 0.000 0.991 44 T CA -0.549 61.503 62.100 -0.080 0.000 0.966 44 T CB 0.681 69.493 68.868 -0.093 0.000 0.962 44 T HN 0.416 nan 8.240 nan 0.000 0.438 45 Y N 1.201 121.509 120.300 0.015 0.000 2.504 45 Y HA 0.505 5.055 4.550 0.000 0.000 0.344 45 Y C -0.265 175.616 175.900 -0.032 0.000 1.023 45 Y CA -1.220 56.876 58.100 -0.008 0.000 1.020 45 Y CB 2.452 40.903 38.460 -0.015 0.000 1.282 45 Y HN 0.600 nan 8.280 nan 0.000 0.454 46 N N 3.962 122.730 118.700 0.112 0.000 2.800 46 N HA 0.356 5.096 4.740 0.000 0.000 0.240 46 N C -1.212 174.311 175.510 0.021 0.000 1.096 46 N CA -0.264 52.808 53.050 0.036 0.000 0.877 46 N CB 1.019 39.513 38.487 0.012 0.000 1.138 46 N HN 0.545 nan 8.380 nan 0.000 0.509 47 L N 0.883 122.081 121.223 -0.041 0.000 2.439 47 L HA 0.299 4.639 4.340 0.000 0.000 0.269 47 L C 0.757 177.605 176.870 -0.036 0.000 1.179 47 L CA 0.065 54.854 54.840 -0.085 0.000 0.828 47 L CB 0.385 42.221 42.059 -0.373 0.000 1.106 47 L HN 0.161 nan 8.230 nan 0.000 0.467 48 T N 1.656 116.235 114.554 0.043 0.000 2.771 48 T HA 0.360 4.710 4.350 0.000 0.000 0.281 48 T C 0.009 174.773 174.700 0.106 0.000 0.982 48 T CA -0.541 61.588 62.100 0.048 0.000 0.978 48 T CB 1.667 70.562 68.868 0.044 0.000 0.930 48 T HN 0.205 nan 8.240 nan 0.000 0.447 49 V N 3.401 123.357 119.914 0.071 0.000 2.637 49 V HA 0.399 4.519 4.120 0.000 0.000 0.296 49 V C 1.363 177.528 176.094 0.117 0.000 1.046 49 V CA -0.230 62.148 62.300 0.131 0.000 1.066 49 V CB 0.746 32.617 31.823 0.080 0.000 0.968 49 V HN 1.046 nan 8.190 nan 0.000 0.483 50 G N 2.416 111.303 108.800 0.144 0.000 2.570 50 G HA2 0.110 4.070 3.960 0.000 0.000 0.276 50 G HA3 0.110 4.070 3.960 0.000 0.000 0.276 50 G C 0.540 175.473 174.900 0.054 0.000 1.346 50 G CA -0.192 44.956 45.100 0.080 0.000 1.034 50 G HN 0.713 nan 8.290 nan 0.000 0.512 51 D N -0.567 119.849 120.400 0.027 0.000 2.144 51 D HA -0.114 4.526 4.640 0.000 0.000 0.200 51 D C 2.793 179.097 176.300 0.007 0.000 0.978 51 D CA 1.969 55.977 54.000 0.013 0.000 0.833 51 D CB -0.464 40.337 40.800 0.000 0.000 0.961 51 D HN 0.465 nan 8.370 nan 0.000 0.470 52 T N -2.695 111.857 114.554 -0.002 0.000 2.995 52 T HA 0.155 4.505 4.350 0.000 0.000 0.269 52 T C 1.782 176.481 174.700 -0.001 0.000 1.091 52 T CA 1.107 63.195 62.100 -0.020 0.000 1.128 52 T CB -0.037 68.798 68.868 -0.055 0.000 0.891 52 T HN 0.236 nan 8.240 nan 0.000 0.492 53 G N 0.336 109.164 108.800 0.046 0.000 2.148 53 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 53 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 53 G C 0.100 175.086 174.900 0.143 0.000 0.981 53 G CA 0.305 45.463 45.100 0.097 0.000 0.670 53 G HN 0.978 nan 8.290 nan 0.000 0.528 54 S N -0.851 114.878 115.700 0.049 0.000 2.542 54 S HA 0.899 5.369 4.470 0.000 0.000 0.293 54 S C 0.232 174.654 174.600 -0.296 0.000 1.089 54 S CA 0.758 58.881 58.200 -0.128 0.000 0.961 54 S CB 1.813 64.910 63.200 -0.171 0.000 1.062 54 S HN 1.752 nan 8.310 nan 0.000 0.483 55 G N 1.283 109.509 108.800 -0.957 0.000 2.645 55 G HA2 0.652 4.612 3.960 0.000 0.000 0.292 55 G HA3 0.652 4.612 3.960 0.000 0.000 0.292 55 G C -2.287 172.311 174.900 -0.503 0.000 1.415 55 G CA -0.589 44.099 45.100 -0.687 0.000 0.785 55 G HN 0.882 nan 8.290 nan 0.000 0.483 56 L N -0.112 121.124 121.223 0.022 0.000 2.464 56 L HA 0.740 5.081 4.340 0.000 0.000 0.266 56 L C -1.272 175.702 176.870 0.173 0.000 0.965 56 L CA -0.631 54.259 54.840 0.084 0.000 0.833 56 L CB 1.796 43.858 42.059 0.005 0.000 1.296 56 L HN 0.483 nan 8.230 nan 0.000 0.405 57 I N 5.669 126.283 120.570 0.073 0.000 2.355 57 I HA 0.409 4.579 4.170 0.000 0.000 0.288 57 I C -0.662 175.241 176.117 -0.357 0.000 0.999 57 I CA -0.957 60.267 61.300 -0.127 0.000 1.163 57 I CB 1.824 39.642 38.000 -0.303 0.000 1.316 57 I HN 0.250 nan 8.210 nan 0.000 0.454 58 V N 7.302 126.980 119.914 -0.393 0.000 2.364 58 V HA 0.333 4.453 4.120 0.000 0.000 0.272 58 V C -0.199 175.464 176.094 -0.718 0.000 1.036 58 V CA -0.222 61.773 62.300 -0.508 0.000 0.880 58 V CB 0.604 32.130 31.823 -0.495 0.000 0.991 58 V HN 0.407 nan 8.190 nan 0.000 0.460 59 F N 4.224 123.903 119.950 -0.452 0.000 2.425 59 F HA 0.581 5.108 4.527 0.000 0.000 0.331 59 F C 0.023 175.502 175.800 -0.535 0.000 1.085 59 F CA -0.575 57.187 58.000 -0.396 0.000 1.028 59 F CB 1.728 40.638 39.000 -0.150 0.000 1.177 59 F HN 0.360 nan 8.300 nan 0.000 0.487 60 F N 3.674 123.794 119.950 0.284 0.000 2.371 60 F HA 0.264 4.791 4.527 0.000 0.000 0.343 60 F C -1.573 174.368 175.800 0.235 0.000 1.150 60 F CA -1.718 56.413 58.000 0.220 0.000 1.220 60 F CB 0.355 39.467 39.000 0.186 0.000 1.475 60 F HN 0.274 nan 8.300 nan 0.000 0.521 61 P HA -0.173 nan 4.420 nan 0.000 0.217 61 P C 1.379 178.783 177.300 0.173 0.000 1.148 61 P CA 1.518 64.707 63.100 0.149 0.000 0.828 61 P CB 0.324 32.057 31.700 0.055 0.000 0.783 62 G N -1.893 107.039 108.800 0.219 0.000 3.233 62 G HA2 0.040 4.000 3.960 0.000 0.000 0.234 62 G HA3 0.040 4.000 3.960 0.000 0.000 0.234 62 G C -0.060 174.991 174.900 0.252 0.000 1.137 62 G CA -0.420 44.788 45.100 0.180 0.000 0.763 62 G HN 0.137 nan 8.290 nan 0.000 0.549 63 F N 3.242 123.325 119.950 0.222 0.000 2.590 63 F HA 0.220 4.747 4.527 0.000 0.000 0.389 63 F C -1.377 174.572 175.800 0.248 0.000 1.049 63 F CA -2.281 55.848 58.000 0.215 0.000 1.199 63 F CB 1.049 40.175 39.000 0.210 0.000 1.058 63 F HN -0.027 nan 8.300 nan 0.000 0.556 64 P HA 0.274 nan 4.420 nan 0.000 0.220 64 P C -0.184 176.976 177.300 -0.234 0.000 1.806 64 P CA 0.298 63.317 63.100 -0.136 0.000 0.976 64 P CB 0.109 31.685 31.700 -0.207 0.000 1.952 65 G N -0.252 108.615 108.800 0.112 0.000 2.435 65 G HA2 0.160 4.120 3.960 0.000 0.000 0.296 65 G HA3 0.160 4.120 3.960 0.000 0.000 0.296 65 G C 0.119 175.203 174.900 0.306 0.000 1.240 65 G CA -0.272 44.906 45.100 0.128 0.000 0.872 65 G HN -0.100 nan 8.290 nan 0.000 0.480 66 S N -0.456 115.385 115.700 0.235 0.000 2.593 66 S HA 0.194 4.664 4.470 0.000 0.000 0.217 66 S C 0.587 175.306 174.600 0.198 0.000 0.966 66 S CA 0.139 58.456 58.200 0.195 0.000 0.914 66 S CB -0.181 63.082 63.200 0.105 0.000 0.776 66 S HN 0.313 nan 8.310 nan 0.000 0.523 67 I N 1.691 122.324 120.570 0.106 0.000 2.363 67 I HA 0.111 4.281 4.170 0.000 0.000 0.292 67 I C 0.952 177.057 176.117 -0.020 0.000 1.075 67 I CA 0.255 61.435 61.300 -0.199 0.000 1.333 67 I CB 1.020 38.496 38.000 -0.873 0.000 1.415 67 I HN -0.080 nan 8.210 nan 0.000 0.502 68 V N 5.073 125.087 119.914 0.168 0.000 2.949 68 V HA 0.524 4.644 4.120 0.000 0.000 0.245 68 V C 1.061 177.394 176.094 0.398 0.000 1.086 68 V CA 1.067 63.557 62.300 0.316 0.000 1.097 68 V CB -0.197 31.819 31.823 0.322 0.000 0.762 68 V HN 0.941 nan 8.190 nan 0.000 0.470 69 G N -1.053 107.904 108.800 0.261 0.000 2.325 69 G HA2 0.645 4.605 3.960 0.000 0.000 0.295 69 G HA3 0.645 4.605 3.960 0.000 0.000 0.295 69 G C -1.874 173.024 174.900 -0.004 0.000 1.274 69 G CA 0.118 45.266 45.100 0.079 0.000 0.857 69 G HN 0.630 nan 8.290 nan 0.000 0.499 70 A N -0.530 122.201 122.820 -0.148 0.000 2.520 70 A HA 0.790 5.110 4.320 0.000 0.000 0.298 70 A C -1.160 176.291 177.584 -0.222 0.000 1.051 70 A CA -0.436 51.536 52.037 -0.109 0.000 0.690 70 A CB 1.437 20.494 19.000 0.095 0.000 1.281 70 A HN 1.180 nan 8.150 nan 0.000 0.402 71 H N 1.199 119.997 119.070 -0.454 0.000 2.458 71 H HA 0.668 5.224 4.556 0.000 0.000 0.330 71 H C -1.702 173.350 175.328 -0.461 0.000 1.111 71 H CA -0.276 55.559 56.048 -0.355 0.000 1.245 71 H CB 0.901 30.484 29.762 -0.298 0.000 1.456 71 H HN 0.622 nan 8.280 nan 0.000 0.488 72 Y N 1.507 121.605 120.300 -0.337 0.000 2.477 72 Y HA 0.197 4.747 4.550 0.000 0.000 0.347 72 Y C 0.073 175.815 175.900 -0.263 0.000 0.981 72 Y CA -0.823 57.150 58.100 -0.212 0.000 1.033 72 Y CB 2.334 40.853 38.460 0.098 0.000 1.245 72 Y HN 0.590 nan 8.280 nan 0.000 0.455 73 T N 0.471 115.015 114.554 -0.017 0.000 2.859 73 T HA 0.600 4.950 4.350 0.000 0.000 0.281 73 T C -0.939 173.804 174.700 0.070 0.000 1.005 73 T CA -0.801 61.303 62.100 0.007 0.000 1.025 73 T CB 1.519 70.368 68.868 -0.031 0.000 0.977 73 T HN 0.471 nan 8.240 nan 0.000 0.458 74 L N 2.463 123.657 121.223 -0.049 0.000 2.349 74 L HA 0.410 4.750 4.340 0.000 0.000 0.275 74 L C 0.130 176.905 176.870 -0.158 0.000 1.115 74 L CA 0.219 54.901 54.840 -0.263 0.000 0.820 74 L CB 0.809 42.648 42.059 -0.368 0.000 1.135 74 L HN 0.768 nan 8.230 nan 0.000 0.445 75 Q N 2.356 122.054 119.800 -0.170 0.000 2.252 75 Q HA 0.370 4.710 4.340 0.000 0.000 0.256 75 Q C 0.996 176.930 176.000 -0.109 0.000 1.020 75 Q CA -0.155 55.586 55.803 -0.102 0.000 0.913 75 Q CB 1.123 29.820 28.738 -0.068 0.000 1.286 75 Q HN 0.866 nan 8.270 nan 0.000 0.480 76 G N 1.040 109.796 108.800 -0.074 0.000 2.469 76 G HA2 -0.284 3.676 3.960 0.000 0.000 0.220 76 G HA3 -0.284 3.676 3.960 0.000 0.000 0.220 76 G C 0.899 175.754 174.900 -0.074 0.000 1.136 76 G CA 1.118 46.178 45.100 -0.067 0.000 0.759 76 G HN 0.797 nan 8.290 nan 0.000 0.562 77 N N 0.519 119.175 118.700 -0.075 0.000 2.521 77 N HA 0.102 4.842 4.740 0.000 0.000 0.188 77 N C 1.622 177.074 175.510 -0.097 0.000 1.146 77 N CA 1.098 54.104 53.050 -0.074 0.000 0.893 77 N CB 0.128 38.579 38.487 -0.061 0.000 0.975 77 N HN 0.498 nan 8.380 nan 0.000 0.451 78 G N 0.368 109.087 108.800 -0.134 0.000 2.213 78 G HA2 -0.229 3.731 3.960 0.000 0.000 0.236 78 G HA3 -0.229 3.731 3.960 0.000 0.000 0.236 78 G C -0.199 174.558 174.900 -0.238 0.000 0.991 78 G CA -0.300 44.693 45.100 -0.178 0.000 0.629 78 G HN 0.403 nan 8.290 nan 0.000 0.517 79 N N -0.008 118.580 118.700 -0.188 0.000 2.508 79 N HA 0.583 5.323 4.740 0.000 0.000 0.285 79 N C -0.358 175.039 175.510 -0.189 0.000 1.144 79 N CA -0.244 52.706 53.050 -0.168 0.000 0.978 79 N CB 0.644 39.077 38.487 -0.089 0.000 1.180 79 N HN 0.213 nan 8.380 nan 0.000 0.484 80 Y N 0.278 120.511 120.300 -0.112 0.000 2.316 80 Y HA 0.260 4.810 4.550 0.000 0.000 0.324 80 Y C 0.910 176.847 175.900 0.062 0.000 1.267 80 Y CA -0.033 58.051 58.100 -0.027 0.000 1.311 80 Y CB 1.033 39.463 38.460 -0.051 0.000 1.267 80 Y HN 0.235 nan 8.280 nan 0.000 0.516 81 K N 2.736 123.328 120.400 0.321 0.000 2.507 81 K HA 0.271 4.592 4.320 0.000 0.000 0.252 81 K C -1.384 175.402 176.600 0.309 0.000 0.943 81 K CA -0.773 55.670 56.287 0.260 0.000 0.808 81 K CB 0.791 33.359 32.500 0.114 0.000 1.142 81 K HN 0.530 nan 8.250 nan 0.000 0.426 82 F N 3.670 123.740 119.950 0.201 0.000 2.607 82 F HA -0.040 4.487 4.527 0.000 0.000 0.374 82 F C 0.840 176.556 175.800 -0.140 0.000 1.104 82 F CA 0.770 58.727 58.000 -0.070 0.000 1.296 82 F CB 0.800 39.786 39.000 -0.023 0.000 1.085 82 F HN 0.825 nan 8.300 nan 0.000 0.584 83 D N 2.112 121.868 120.400 -1.073 0.000 3.012 83 D HA 0.128 4.768 4.640 0.000 0.000 0.284 83 D C -0.608 175.049 176.300 -1.073 0.000 1.259 83 D CA 0.898 54.436 54.000 -0.770 0.000 1.036 83 D CB 0.232 40.745 40.800 -0.478 0.000 1.167 83 D HN 0.675 nan 8.370 nan 0.000 0.429 84 Q N -1.042 118.045 119.800 -1.190 0.000 2.687 84 Q HA 0.343 4.683 4.340 0.000 0.000 0.295 84 Q C -1.244 174.477 176.000 -0.464 0.000 0.920 84 Q CA -1.021 54.319 55.803 -0.773 0.000 0.766 84 Q CB 1.181 29.745 28.738 -0.290 0.000 1.467 84 Q HN -0.024 nan 8.270 nan 0.000 0.415 85 M N 1.824 121.382 119.600 -0.069 0.000 2.216 85 M HA 0.400 4.880 4.480 0.000 0.000 0.356 85 M C -0.717 175.469 176.300 -0.191 0.000 1.205 85 M CA -0.323 54.981 55.300 0.008 0.000 1.122 85 M CB 0.678 33.356 32.600 0.129 0.000 1.571 85 M HN 0.620 nan 8.290 nan 0.000 0.464 86 L N 5.134 126.200 121.223 -0.262 0.000 2.260 86 L HA 0.472 4.812 4.340 0.000 0.000 0.289 86 L C -0.305 176.543 176.870 -0.036 0.000 1.057 86 L CA -0.237 54.307 54.840 -0.494 0.000 0.811 86 L CB 0.352 42.174 42.059 -0.396 0.000 1.184 86 L HN 0.587 nan 8.230 nan 0.000 0.429 87 L N 1.636 122.988 121.223 0.216 0.000 2.211 87 L HA 0.601 4.941 4.340 0.000 0.000 0.259 87 L C 0.364 177.444 176.870 0.349 0.000 1.031 87 L CA -0.777 54.230 54.840 0.279 0.000 0.877 87 L CB 1.795 43.991 42.059 0.229 0.000 1.457 87 L HN 0.331 nan 8.230 nan 0.000 0.466 88 T N -0.007 114.698 114.554 0.251 0.000 2.910 88 T HA 0.246 4.596 4.350 0.000 0.000 0.293 88 T C 1.095 175.891 174.700 0.160 0.000 1.015 88 T CA 0.314 62.548 62.100 0.224 0.000 1.094 88 T CB 1.688 70.683 68.868 0.212 0.000 0.968 88 T HN 0.688 nan 8.240 nan 0.000 0.521 89 A N 2.802 125.696 122.820 0.123 0.000 1.909 89 A HA -0.179 4.141 4.320 0.000 0.000 0.221 89 A C 1.005 178.629 177.584 0.067 0.000 1.223 89 A CA 1.794 53.870 52.037 0.066 0.000 0.658 89 A CB -0.651 18.388 19.000 0.064 0.000 0.831 89 A HN 0.864 nan 8.150 nan 0.000 0.462 90 Q N -1.794 118.058 119.800 0.087 0.000 2.413 90 Q HA 0.547 4.887 4.340 0.000 0.000 0.276 90 Q C -1.077 174.972 176.000 0.083 0.000 1.099 90 Q CA -0.990 54.860 55.803 0.077 0.000 0.814 90 Q CB 0.861 29.645 28.738 0.076 0.000 1.379 90 Q HN 0.195 nan 8.270 nan 0.000 0.436 91 N N 1.640 120.381 118.700 0.070 0.000 2.406 91 N HA 0.090 4.830 4.740 0.000 0.000 0.265 91 N C 0.449 175.999 175.510 0.067 0.000 1.203 91 N CA 0.072 53.160 53.050 0.063 0.000 0.945 91 N CB 0.412 38.930 38.487 0.051 0.000 1.165 91 N HN 0.752 nan 8.380 nan 0.000 0.485 92 L N 5.002 126.258 121.223 0.056 0.000 2.042 92 L HA -0.099 4.241 4.340 0.000 0.000 0.210 92 L C -0.670 176.271 176.870 0.118 0.000 1.076 92 L CA 1.185 56.080 54.840 0.093 0.000 0.749 92 L CB -1.101 40.904 42.059 -0.089 0.000 0.893 92 L HN 0.526 nan 8.230 nan 0.000 0.432 93 P HA -0.156 nan 4.420 nan 0.000 0.221 93 P C 1.214 178.518 177.300 0.007 0.000 1.145 93 P CA 1.440 64.553 63.100 0.020 0.000 0.795 93 P CB -0.001 31.701 31.700 0.004 0.000 0.775 94 A N -1.315 121.512 122.820 0.011 0.000 2.119 94 A HA -0.027 4.293 4.320 0.000 0.000 0.217 94 A C 2.018 179.565 177.584 -0.062 0.000 1.153 94 A CA 1.667 53.694 52.037 -0.016 0.000 0.692 94 A CB -0.632 18.366 19.000 -0.003 0.000 0.799 94 A HN 0.151 nan 8.150 nan 0.000 0.458 95 S N -2.640 113.006 115.700 -0.090 0.000 2.619 95 S HA 0.339 4.809 4.470 0.000 0.000 0.238 95 S C -0.298 173.988 174.600 -0.523 0.000 1.068 95 S CA -0.234 57.776 58.200 -0.317 0.000 0.926 95 S CB 0.083 63.030 63.200 -0.421 0.000 0.864 95 S HN 0.500 nan 8.310 nan 0.000 0.493 96 Y N 1.145 121.434 120.300 -0.018 0.000 2.562 96 Y HA 0.542 5.092 4.550 0.000 0.000 0.343 96 Y C 0.850 176.725 175.900 -0.042 0.000 1.025 96 Y CA -1.154 56.943 58.100 -0.006 0.000 1.082 96 Y CB 0.889 39.353 38.460 0.008 0.000 1.264 96 Y HN -0.167 nan 8.280 nan 0.000 0.478 97 N N -0.357 118.417 118.700 0.125 0.000 2.499 97 N HA 0.061 4.801 4.740 0.000 0.000 0.182 97 N C -1.033 174.315 175.510 -0.271 0.000 1.034 97 N CA 0.612 53.602 53.050 -0.100 0.000 0.882 97 N CB 0.196 38.620 38.487 -0.105 0.000 1.125 97 N HN 0.505 nan 8.380 nan 0.000 0.436 98 Y N -0.596 119.774 120.300 0.116 0.000 2.446 98 Y HA 0.526 5.076 4.550 0.000 0.000 0.338 98 Y C 0.229 176.234 175.900 0.175 0.000 1.055 98 Y CA -1.090 57.094 58.100 0.140 0.000 1.101 98 Y CB 1.844 40.406 38.460 0.171 0.000 1.221 98 Y HN -0.062 nan 8.280 nan 0.000 0.460 99 C N 3.038 122.493 119.300 0.259 0.000 3.171 99 C HA 0.892 5.352 4.460 0.000 0.000 0.308 99 C C -1.405 173.550 174.990 -0.057 0.000 1.334 99 C CA -0.730 58.337 59.018 0.082 0.000 1.473 99 C CB 1.989 29.681 27.740 -0.080 0.000 1.866 99 C HN 1.026 nan 8.230 nan 0.000 0.465 100 R N 2.385 122.832 120.500 -0.088 0.000 2.536 100 R HA 0.613 4.953 4.340 0.000 0.000 0.269 100 R C -1.921 174.426 176.300 0.079 0.000 1.113 100 R CA -0.590 55.416 56.100 -0.156 0.000 0.948 100 R CB 1.546 31.466 30.300 -0.634 0.000 1.237 100 R HN 0.834 nan 8.270 nan 0.000 0.441 101 L N 4.797 126.098 121.223 0.130 0.000 2.305 101 L HA 0.302 4.642 4.340 0.000 0.000 0.281 101 L C -0.066 176.840 176.870 0.059 0.000 1.085 101 L CA 0.285 55.184 54.840 0.098 0.000 0.813 101 L CB 1.669 43.795 42.059 0.112 0.000 1.157 101 L HN 0.636 nan 8.230 nan 0.000 0.436 102 V N 2.321 122.229 119.914 -0.011 0.000 2.599 102 V HA 0.321 4.441 4.120 0.000 0.000 0.237 102 V C 0.528 176.671 176.094 0.082 0.000 1.081 102 V CA 1.075 63.443 62.300 0.114 0.000 1.107 102 V CB 0.292 32.172 31.823 0.095 0.000 0.808 102 V HN 0.918 nan 8.190 nan 0.000 0.486 103 S N -0.330 115.326 115.700 -0.073 0.000 2.611 103 S HA 0.803 5.273 4.470 0.000 0.000 0.268 103 S C -0.876 173.637 174.600 -0.145 0.000 1.156 103 S CA -0.859 57.287 58.200 -0.089 0.000 0.817 103 S CB 2.984 66.112 63.200 -0.119 0.000 1.122 103 S HN 0.473 nan 8.310 nan 0.000 0.466 104 R N 0.130 120.563 120.500 -0.112 0.000 2.644 104 R HA 0.613 4.953 4.340 0.000 0.000 0.257 104 R C -1.962 174.262 176.300 -0.127 0.000 1.082 104 R CA -0.020 56.007 56.100 -0.122 0.000 0.927 104 R CB 1.546 31.782 30.300 -0.107 0.000 1.258 104 R HN 1.287 nan 8.270 nan 0.000 0.459 105 S N 3.730 119.345 115.700 -0.143 0.000 2.540 105 S HA 0.769 5.239 4.470 0.000 0.000 0.275 105 S C -1.255 173.222 174.600 -0.205 0.000 1.123 105 S CA -0.828 57.251 58.200 -0.202 0.000 0.907 105 S CB 1.750 64.825 63.200 -0.208 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.476 106 L N 1.827 122.880 121.223 -0.283 0.000 2.409 106 L HA 0.771 5.111 4.340 0.000 0.000 0.262 106 L C -0.470 176.272 176.870 -0.213 0.000 0.992 106 L CA -0.608 54.074 54.840 -0.263 0.000 0.817 106 L CB 2.898 44.655 42.059 -0.504 0.000 1.350 106 L HN 1.006 nan 8.230 nan 0.000 0.411 107 T N -0.677 113.820 114.554 -0.096 0.000 2.841 107 T HA 0.787 5.137 4.350 0.000 0.000 0.283 107 T C -0.765 173.953 174.700 0.030 0.000 1.000 107 T CA -0.770 61.305 62.100 -0.043 0.000 0.977 107 T CB 1.774 70.628 68.868 -0.025 0.000 0.979 107 T HN 0.192 nan 8.240 nan 0.000 0.446 108 V N 4.478 124.426 119.914 0.056 0.000 2.444 108 V HA 0.794 4.914 4.120 0.000 0.000 0.294 108 V C -0.014 176.108 176.094 0.046 0.000 1.022 108 V CA -0.852 61.497 62.300 0.081 0.000 0.850 108 V CB 1.020 32.934 31.823 0.151 0.000 0.992 108 V HN 1.151 nan 8.190 nan 0.000 0.426 109 R N 2.307 122.816 120.500 0.014 0.000 2.692 109 R HA 0.679 5.019 4.340 0.000 0.000 0.269 109 R C -0.767 175.515 176.300 -0.030 0.000 1.030 109 R CA -0.668 55.433 56.100 0.002 0.000 0.882 109 R CB 1.708 32.018 30.300 0.017 0.000 1.250 109 R HN 0.588 nan 8.270 nan 0.000 0.465 110 S N 0.058 115.737 115.700 -0.035 0.000 2.584 110 S HA 0.270 4.740 4.470 0.000 0.000 0.273 110 S C 0.547 175.131 174.600 -0.026 0.000 1.311 110 S CA 0.007 58.177 58.200 -0.050 0.000 1.034 110 S CB 1.514 64.685 63.200 -0.049 0.000 0.939 110 S HN 0.838 nan 8.310 nan 0.000 0.513 111 S N 1.027 116.710 115.700 -0.028 0.000 2.663 111 S HA 0.281 4.751 4.470 0.000 0.000 0.247 111 S C 0.334 174.927 174.600 -0.013 0.000 1.074 111 S CA -0.160 58.031 58.200 -0.015 0.000 0.955 111 S CB -0.078 63.114 63.200 -0.013 0.000 0.901 111 S HN 0.747 nan 8.310 nan 0.000 0.505 112 T N 3.075 117.619 114.554 -0.018 0.000 2.906 112 T HA 0.776 5.126 4.350 0.000 0.000 0.295 112 T C -1.467 173.225 174.700 -0.013 0.000 1.075 112 T CA -0.759 61.333 62.100 -0.012 0.000 1.005 112 T CB 1.861 70.722 68.868 -0.011 0.000 1.136 112 T HN 0.479 nan 8.240 nan 0.000 0.498 113 L N -0.472 120.747 121.223 -0.007 0.000 2.455 113 L HA 0.860 5.200 4.340 0.000 0.000 0.264 113 L C -2.845 174.024 176.870 -0.002 0.000 0.968 113 L CA -1.834 53.003 54.840 -0.005 0.000 0.827 113 L CB -0.584 41.473 42.059 -0.003 0.000 1.317 113 L HN 0.341 nan 8.230 nan 0.000 0.407 121 N N 1.381 120.090 118.700 0.015 0.000 2.682 121 N HA 0.558 5.298 4.740 0.000 0.000 0.252 121 N C 0.310 175.836 175.510 0.026 0.000 1.081 121 N CA 0.736 53.794 53.050 0.014 0.000 0.844 121 N CB 1.439 39.928 38.487 0.003 0.000 1.167 121 N HN 0.442 nan 8.380 nan 0.000 0.523 122 G N 1.274 110.091 108.800 0.027 0.000 2.625 122 G HA2 -0.275 3.685 3.960 0.000 0.000 0.311 122 G HA3 -0.275 3.685 3.960 0.000 0.000 0.311 122 G C -0.055 174.885 174.900 0.067 0.000 1.324 122 G CA 0.448 45.570 45.100 0.037 0.000 0.918 122 G HN 0.692 nan 8.290 nan 0.000 0.556 123 T N -2.729 111.882 114.554 0.094 0.000 2.888 123 T HA 0.776 5.126 4.350 0.000 0.000 0.288 123 T C -0.085 174.791 174.700 0.294 0.000 1.063 123 T CA -0.685 61.516 62.100 0.169 0.000 1.010 123 T CB 2.097 71.078 68.868 0.188 0.000 1.214 123 T HN 1.004 nan 8.240 nan 0.000 0.533 124 I N 1.008 121.764 120.570 0.310 0.000 2.730 124 I HA 0.519 4.689 4.170 0.000 0.000 0.298 124 I C -1.108 175.120 176.117 0.185 0.000 1.089 124 I CA -1.065 60.436 61.300 0.336 0.000 1.041 124 I CB 2.388 40.525 38.000 0.227 0.000 1.235 124 I HN 0.558 nan 8.210 nan 0.000 0.423 125 N N 3.289 122.004 118.700 0.025 0.000 2.258 125 N HA 0.831 5.571 4.740 0.000 0.000 0.299 125 N C -1.377 174.070 175.510 -0.104 0.000 1.047 125 N CA -0.441 52.471 53.050 -0.230 0.000 0.814 125 N CB 2.448 40.459 38.487 -0.793 0.000 1.413 125 N HN 0.769 nan 8.380 nan 0.000 0.478 126 A N 0.611 123.390 122.820 -0.069 0.000 2.572 126 A HA 0.834 5.154 4.320 0.000 0.000 0.295 126 A C -1.164 176.398 177.584 -0.036 0.000 1.072 126 A CA -0.622 51.401 52.037 -0.023 0.000 0.691 126 A CB 1.043 20.065 19.000 0.037 0.000 1.291 126 A HN 0.604 nan 8.150 nan 0.000 0.404 127 V N -2.171 117.732 119.914 -0.018 0.000 3.178 127 V HA 0.886 5.006 4.120 0.000 0.000 0.302 127 V C -0.669 175.439 176.094 0.024 0.000 1.262 127 V CA -0.607 61.687 62.300 -0.010 0.000 1.030 127 V CB 1.487 33.302 31.823 -0.012 0.000 1.074 127 V HN 0.901 nan 8.190 nan 0.000 0.438 128 T N 3.593 118.166 114.554 0.032 0.000 2.842 128 T HA 0.558 4.908 4.350 0.000 0.000 0.308 128 T C -0.959 173.809 174.700 0.113 0.000 1.041 128 T CA 0.093 62.225 62.100 0.053 0.000 0.964 128 T CB 0.578 69.448 68.868 0.003 0.000 0.972 128 T HN 0.700 nan 8.240 nan 0.000 0.460 129 F N 2.919 122.852 119.950 -0.028 0.000 2.394 129 F HA 0.311 4.838 4.527 0.000 0.000 0.340 129 F C 0.930 176.726 175.800 -0.007 0.000 1.105 129 F CA -1.064 56.923 58.000 -0.021 0.000 1.124 129 F CB 1.126 40.114 39.000 -0.020 0.000 1.145 129 F HN 0.460 nan 8.300 nan 0.000 0.505 130 Q N 4.628 124.020 119.800 -0.680 0.000 2.938 130 Q HA 0.379 4.719 4.340 0.000 0.000 0.343 130 Q C 0.016 175.582 176.000 -0.722 0.000 1.185 130 Q CA -0.245 55.233 55.803 -0.543 0.000 0.939 130 Q CB 0.060 28.579 28.738 -0.365 0.000 1.480 130 Q HN 0.870 nan 8.270 nan 0.000 0.442 131 G N -0.418 107.963 108.800 -0.698 0.000 2.559 131 G HA2 0.286 4.246 3.960 0.000 0.000 0.291 131 G HA3 0.286 4.246 3.960 0.000 0.000 0.291 131 G C -0.860 174.125 174.900 0.142 0.000 1.424 131 G CA -0.728 44.186 45.100 -0.310 0.000 0.786 131 G HN 0.219 nan 8.290 nan 0.000 0.485 132 S N -0.504 115.329 115.700 0.222 0.000 2.614 132 S HA 0.311 4.781 4.470 0.000 0.000 0.265 132 S C 1.568 176.355 174.600 0.312 0.000 1.303 132 S CA -0.129 58.235 58.200 0.273 0.000 1.000 132 S CB 1.359 64.697 63.200 0.230 0.000 0.935 132 S HN 1.177 nan 8.310 nan 0.000 0.551 133 L N 1.765 123.135 121.223 0.245 0.000 2.021 133 L HA -0.168 4.172 4.340 0.000 0.000 0.215 133 L C 2.608 179.542 176.870 0.107 0.000 1.074 133 L CA 2.708 57.619 54.840 0.118 0.000 0.760 133 L CB -1.366 40.737 42.059 0.072 0.000 0.889 133 L HN 1.001 nan 8.230 nan 0.000 0.433 134 S N -1.794 113.997 115.700 0.150 0.000 2.481 134 S HA -0.104 4.366 4.470 0.000 0.000 0.231 134 S C 1.544 176.215 174.600 0.119 0.000 0.996 134 S CA 0.830 59.109 58.200 0.131 0.000 0.942 134 S CB -0.664 62.600 63.200 0.107 0.000 0.768 134 S HN 0.687 nan 8.310 nan 0.000 0.520 135 E N 0.701 121.009 120.200 0.180 0.000 2.482 135 E HA 0.182 4.532 4.350 0.000 0.000 0.196 135 E C -0.087 176.570 176.600 0.095 0.000 1.047 135 E CA -0.120 56.409 56.400 0.215 0.000 0.869 135 E CB -0.160 29.755 29.700 0.358 0.000 0.836 135 E HN 0.535 nan 8.360 nan 0.000 0.520 136 L N 1.844 122.992 121.223 -0.124 0.000 2.453 136 L HA -0.021 4.319 4.340 0.000 0.000 0.272 136 L C 1.800 178.550 176.870 -0.199 0.000 1.182 136 L CA 0.087 54.658 54.840 -0.447 0.000 0.858 136 L CB 0.848 42.636 42.059 -0.451 0.000 1.120 136 L HN 0.135 nan 8.230 nan 0.000 0.474 137 T N -2.178 112.256 114.554 -0.200 0.000 3.009 137 T HA 0.019 4.369 4.350 0.000 0.000 0.258 137 T C 0.384 175.036 174.700 -0.080 0.000 1.063 137 T CA 0.154 62.199 62.100 -0.091 0.000 1.139 137 T CB 0.213 69.048 68.868 -0.055 0.000 0.890 137 T HN 0.494 nan 8.240 nan 0.000 0.471 138 D N 1.012 121.346 120.400 -0.110 0.000 2.788 138 D HA 0.328 4.968 4.640 0.000 0.000 0.247 138 D C 0.091 176.349 176.300 -0.071 0.000 1.236 138 D CA -0.648 53.312 54.000 -0.066 0.000 0.898 138 D CB 2.432 43.201 40.800 -0.053 0.000 1.401 138 D HN 0.121 nan 8.370 nan 0.000 0.549 139 V N 1.391 121.300 119.914 -0.008 0.000 3.085 139 V HA 0.321 4.441 4.120 0.000 0.000 0.345 139 V C 0.574 176.739 176.094 0.119 0.000 1.397 139 V CA -0.248 62.066 62.300 0.023 0.000 1.165 139 V CB -0.421 31.451 31.823 0.081 0.000 1.153 139 V HN 0.415 nan 8.190 nan 0.000 0.495 140 S N -1.032 114.726 115.700 0.097 0.000 2.617 140 S HA 0.401 4.871 4.470 0.000 0.000 0.269 140 S C 0.768 175.445 174.600 0.127 0.000 1.292 140 S CA 0.008 58.292 58.200 0.139 0.000 1.010 140 S CB 1.096 64.346 63.200 0.082 0.000 0.944 140 S HN 0.413 nan 8.310 nan 0.000 0.536 141 Y N 2.460 122.782 120.300 0.037 0.000 2.030 141 Y HA -0.299 4.251 4.550 0.000 0.000 0.272 141 Y C 2.071 177.977 175.900 0.012 0.000 1.185 141 Y CA 2.673 60.785 58.100 0.019 0.000 1.120 141 Y CB -0.553 37.909 38.460 0.004 0.000 0.955 141 Y HN 0.721 nan 8.280 nan 0.000 0.495 142 N N -0.330 118.429 118.700 0.099 0.000 2.354 142 N HA -0.056 4.684 4.740 0.000 0.000 0.179 142 N C 2.002 177.487 175.510 -0.041 0.000 1.021 142 N CA 1.082 54.131 53.050 -0.002 0.000 0.887 142 N CB -0.747 37.791 38.487 0.086 0.000 0.974 142 N HN 0.548 nan 8.380 nan 0.000 0.437 143 G N 1.772 110.562 108.800 -0.017 0.000 2.432 143 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 143 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 143 G C 1.709 176.571 174.900 -0.063 0.000 1.135 143 G CA 0.200 45.281 45.100 -0.031 0.000 0.767 143 G HN 0.182 nan 8.290 nan 0.000 0.550 144 L N 0.156 121.328 121.223 -0.085 0.000 2.021 144 L HA -0.184 4.156 4.340 0.000 0.000 0.215 144 L C 2.974 179.790 176.870 -0.089 0.000 1.074 144 L CA 1.111 55.889 54.840 -0.103 0.000 0.760 144 L CB -0.456 41.528 42.059 -0.124 0.000 0.889 144 L HN 0.148 nan 8.230 nan 0.000 0.433 145 M N -0.805 118.734 119.600 -0.101 0.000 2.413 145 M HA -0.218 4.262 4.480 0.000 0.000 0.258 145 M C 1.747 178.018 176.300 -0.048 0.000 1.081 145 M CA 1.450 56.703 55.300 -0.080 0.000 1.047 145 M CB -1.266 31.283 32.600 -0.085 0.000 1.390 145 M HN 0.180 nan 8.290 nan 0.000 0.438 146 S N -0.653 115.022 115.700 -0.041 0.000 2.575 146 S HA 0.385 4.855 4.470 0.000 0.000 0.237 146 S C 1.637 176.236 174.600 -0.002 0.000 0.975 146 S CA 0.270 58.458 58.200 -0.020 0.000 0.960 146 S CB 0.230 63.418 63.200 -0.020 0.000 0.822 146 S HN 0.490 nan 8.310 nan 0.000 0.472 147 A N 1.479 124.297 122.820 -0.003 0.000 2.014 147 A HA 0.145 4.465 4.320 0.000 0.000 0.218 147 A C 1.098 178.792 177.584 0.183 0.000 1.163 147 A CA 0.872 52.939 52.037 0.050 0.000 0.652 147 A CB -0.046 18.952 19.000 -0.004 0.000 0.808 147 A HN 0.410 nan 8.150 nan 0.000 0.449 148 T N -2.545 112.067 114.554 0.096 0.000 2.896 148 T HA 0.582 4.933 4.350 0.000 0.000 0.297 148 T C 0.739 175.451 174.700 0.019 0.000 1.108 148 T CA -0.056 62.085 62.100 0.068 0.000 1.004 148 T CB 1.916 70.808 68.868 0.040 0.000 1.159 148 T HN 0.247 nan 8.240 nan 0.000 0.499 149 A N 1.301 124.124 122.820 0.004 0.000 2.095 149 A HA 0.208 4.528 4.320 0.000 0.000 0.212 149 A C 0.736 178.303 177.584 -0.028 0.000 1.162 149 A CA 0.139 52.170 52.037 -0.011 0.000 0.753 149 A CB -0.637 18.356 19.000 -0.011 0.000 0.840 149 A HN 0.847 nan 8.150 nan 0.000 0.468 150 N N 0.415 119.094 118.700 -0.036 0.000 2.440 150 N HA 0.157 4.897 4.740 0.000 0.000 0.265 150 N C 0.731 176.200 175.510 -0.068 0.000 1.239 150 N CA -0.130 52.886 53.050 -0.056 0.000 0.909 150 N CB 0.943 39.391 38.487 -0.065 0.000 1.066 150 N HN 0.399 nan 8.380 nan 0.000 0.474 151 I N 2.493 123.017 120.570 -0.077 0.000 2.546 151 I HA -0.177 3.993 4.170 0.000 0.000 0.255 151 I C 0.779 176.818 176.117 -0.129 0.000 1.163 151 I CA 0.982 62.229 61.300 -0.089 0.000 1.457 151 I CB 0.136 38.086 38.000 -0.083 0.000 1.092 151 I HN 0.539 nan 8.210 nan 0.000 0.434 152 N N 0.905 119.511 118.700 -0.157 0.000 2.370 152 N HA -0.018 4.722 4.740 0.000 0.000 0.198 152 N C 0.050 175.421 175.510 -0.231 0.000 1.156 152 N CA 0.457 53.365 53.050 -0.237 0.000 0.839 152 N CB 0.152 38.477 38.487 -0.271 0.000 0.989 152 N HN 0.368 nan 8.380 nan 0.000 0.468 153 D N 0.319 120.627 120.400 -0.153 0.000 2.469 153 D HA 0.083 4.723 4.640 0.000 0.000 0.215 153 D C 0.157 176.404 176.300 -0.087 0.000 1.154 153 D CA 0.287 54.217 54.000 -0.117 0.000 0.832 153 D CB 0.820 41.573 40.800 -0.078 0.000 1.008 153 D HN 0.406 nan 8.370 nan 0.000 0.506 154 K N -0.305 120.034 120.400 -0.102 0.000 2.512 154 K HA 0.671 4.991 4.320 0.000 0.000 0.263 154 K C -1.444 175.101 176.600 -0.091 0.000 0.966 154 K CA -0.960 55.280 56.287 -0.080 0.000 0.851 154 K CB 2.618 35.079 32.500 -0.064 0.000 1.395 154 K HN -0.166 nan 8.250 nan 0.000 0.440 155 I N 0.468 120.995 120.570 -0.071 0.000 2.710 155 I HA 0.508 4.678 4.170 0.000 0.000 0.290 155 I C -1.312 174.777 176.117 -0.046 0.000 1.318 155 I CA 0.014 61.281 61.300 -0.055 0.000 1.045 155 I CB 2.305 40.284 38.000 -0.036 0.000 1.307 155 I HN 0.880 nan 8.210 nan 0.000 0.424 156 G N 4.287 113.067 108.800 -0.034 0.000 2.453 156 G HA2 0.412 4.372 3.960 0.000 0.000 0.323 156 G HA3 0.412 4.372 3.960 0.000 0.000 0.323 156 G C -0.651 174.261 174.900 0.019 0.000 1.198 156 G CA -0.665 44.415 45.100 -0.033 0.000 0.959 156 G HN 0.705 nan 8.290 nan 0.000 0.482 157 N N -0.724 118.009 118.700 0.054 0.000 2.666 157 N HA -0.162 4.578 4.740 0.000 0.000 0.274 157 N C -0.090 175.482 175.510 0.104 0.000 1.043 157 N CA 0.611 53.739 53.050 0.130 0.000 0.782 157 N CB -0.660 37.899 38.487 0.120 0.000 0.912 157 N HN 0.350 nan 8.380 nan 0.000 0.556 158 V N 1.672 121.652 119.914 0.110 0.000 2.481 158 V HA 0.298 4.418 4.120 0.000 0.000 0.286 158 V C 1.242 177.399 176.094 0.105 0.000 1.042 158 V CA -0.850 61.507 62.300 0.095 0.000 0.928 158 V CB 1.658 33.536 31.823 0.091 0.000 0.986 158 V HN 0.230 nan 8.190 nan 0.000 0.462 159 L N 4.382 125.655 121.223 0.084 0.000 2.540 159 L HA 0.043 4.383 4.340 0.000 0.000 0.276 159 L C 1.435 178.349 176.870 0.074 0.000 1.212 159 L CA 0.029 54.914 54.840 0.075 0.000 0.893 159 L CB 0.580 42.673 42.059 0.057 0.000 1.138 159 L HN 0.521 nan 8.230 nan 0.000 0.491 160 V N 3.094 123.050 119.914 0.070 0.000 2.490 160 V HA -0.190 3.930 4.120 0.000 0.000 0.250 160 V C 2.249 178.362 176.094 0.032 0.000 1.061 160 V CA 2.064 64.396 62.300 0.054 0.000 1.064 160 V CB -0.892 30.951 31.823 0.033 0.000 0.670 160 V HN 1.114 nan 8.190 nan 0.000 0.461 161 G N -0.611 108.208 108.800 0.030 0.000 2.432 161 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 161 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 161 G C 1.538 176.456 174.900 0.030 0.000 1.135 161 G CA 0.948 46.062 45.100 0.023 0.000 0.767 161 G HN 0.579 nan 8.290 nan 0.000 0.550 162 E N -0.172 120.053 120.200 0.042 0.000 2.051 162 E HA 0.290 4.640 4.350 0.000 0.000 0.189 162 E C 1.255 177.887 176.600 0.053 0.000 0.979 162 E CA 0.672 57.102 56.400 0.049 0.000 0.803 162 E CB -0.040 29.695 29.700 0.058 0.000 0.761 162 E HN 0.461 nan 8.360 nan 0.000 0.451 163 G N -0.477 108.358 108.800 0.059 0.000 2.619 163 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 163 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 163 G C -1.061 173.885 174.900 0.076 0.000 1.256 163 G CA -0.386 44.751 45.100 0.060 0.000 0.826 163 G HN 0.246 nan 8.290 nan 0.000 0.619 164 V N 0.595 120.553 119.914 0.074 0.000 2.656 164 V HA 0.797 4.917 4.120 0.000 0.000 0.307 164 V C 0.305 176.421 176.094 0.036 0.000 1.051 164 V CA -0.357 61.991 62.300 0.081 0.000 0.893 164 V CB 2.285 34.166 31.823 0.097 0.000 0.999 164 V HN 1.112 nan 8.190 nan 0.000 0.426 165 T N 3.707 118.269 114.554 0.015 0.000 2.797 165 T HA 0.542 4.892 4.350 0.000 0.000 0.279 165 T C -0.461 174.173 174.700 -0.110 0.000 0.991 165 T CA -0.365 61.653 62.100 -0.138 0.000 0.979 165 T CB 1.576 70.218 68.868 -0.376 0.000 0.943 165 T HN 0.338 nan 8.240 nan 0.000 0.444 166 V N 4.755 124.550 119.914 -0.199 0.000 2.350 166 V HA 0.426 4.546 4.120 0.000 0.000 0.276 166 V C -0.303 175.661 176.094 -0.216 0.000 1.028 166 V CA -0.755 61.437 62.300 -0.180 0.000 0.860 166 V CB 1.088 32.717 31.823 -0.324 0.000 0.990 166 V HN 0.644 nan 8.190 nan 0.000 0.453 167 L N 4.696 125.866 121.223 -0.088 0.000 2.307 167 L HA 0.584 4.924 4.340 0.000 0.000 0.284 167 L C 0.390 177.236 176.870 -0.041 0.000 1.023 167 L CA 0.413 55.206 54.840 -0.078 0.000 0.810 167 L CB 2.035 44.142 42.059 0.080 0.000 1.231 167 L HN 0.599 nan 8.230 nan 0.000 0.423 168 S N 5.741 121.407 115.700 -0.056 0.000 2.415 168 S HA 0.499 4.970 4.470 0.000 0.000 0.313 168 S C -0.323 174.270 174.600 -0.012 0.000 1.067 168 S CA -0.642 57.538 58.200 -0.032 0.000 1.099 168 S CB -0.513 62.667 63.200 -0.032 0.000 0.991 168 S HN 0.566 nan 8.310 nan 0.000 0.491 169 L N 6.485 127.700 121.223 -0.013 0.000 2.375 169 L HA 0.486 4.826 4.340 0.000 0.000 0.271 169 L C -1.493 175.350 176.870 -0.044 0.000 1.107 169 L CA -2.043 52.789 54.840 -0.013 0.000 0.806 169 L CB 0.526 42.570 42.059 -0.025 0.000 1.146 169 L HN 0.486 nan 8.230 nan 0.000 0.447 170 P HA 0.039 nan 4.420 nan 0.000 0.269 170 P C -0.504 176.652 177.300 -0.240 0.000 1.215 170 P CA -0.150 62.810 63.100 -0.232 0.000 0.780 170 P CB 0.644 32.059 31.700 -0.475 0.000 0.898 171 T N -2.565 111.821 114.554 -0.281 0.000 3.504 171 T HA 0.450 4.800 4.350 0.000 0.000 0.286 171 T C -0.242 174.289 174.700 -0.281 0.000 1.530 171 T CA -0.633 61.333 62.100 -0.224 0.000 1.652 171 T CB -0.958 67.814 68.868 -0.159 0.000 0.895 171 T HN 0.690 nan 8.240 nan 0.000 0.674 172 S N 0.548 116.037 115.700 -0.351 0.000 2.859 172 S HA -0.115 4.355 4.470 0.000 0.000 0.857 172 S C -0.702 173.667 174.600 -0.386 0.000 0.890 172 S CA -0.667 57.350 58.200 -0.305 0.000 1.462 172 S CB -1.161 61.918 63.200 -0.202 0.000 1.049 172 S HN 0.660 nan 8.310 nan 0.000 0.232 173 Y N 2.526 122.789 120.300 -0.063 0.000 2.645 173 Y HA 0.478 5.028 4.550 0.000 0.000 0.341 173 Y C 1.398 177.257 175.900 -0.067 0.000 1.234 173 Y CA 0.077 58.136 58.100 -0.067 0.000 1.352 173 Y CB 0.398 38.818 38.460 -0.067 0.000 1.556 173 Y HN 0.810 nan 8.280 nan 0.000 0.607 174 D N 0.714 121.215 120.400 0.167 0.000 2.708 174 D HA -0.178 4.462 4.640 0.000 0.000 0.236 174 D C -1.315 175.014 176.300 0.049 0.000 1.146 174 D CA 0.740 54.786 54.000 0.078 0.000 0.662 174 D CB -1.130 39.706 40.800 0.059 0.000 1.059 174 D HN 0.249 nan 8.370 nan 0.000 0.428 175 L N -0.216 121.031 121.223 0.040 0.000 2.343 175 L HA 0.557 4.897 4.340 0.000 0.000 0.275 175 L C 1.791 178.743 176.870 0.136 0.000 1.056 175 L CA -0.438 54.414 54.840 0.020 0.000 0.804 175 L CB 1.447 43.432 42.059 -0.124 0.000 1.203 175 L HN 0.043 nan 8.230 nan 0.000 0.440 176 G N 0.417 109.354 108.800 0.227 0.000 2.651 176 G HA2 0.152 4.112 3.960 0.000 0.000 0.260 176 G HA3 0.152 4.112 3.960 0.000 0.000 0.260 176 G C -1.020 174.051 174.900 0.286 0.000 1.216 176 G CA -0.275 44.982 45.100 0.262 0.000 0.913 176 G HN 0.346 nan 8.290 nan 0.000 0.535 177 Y N -0.657 119.704 120.300 0.101 0.000 2.402 177 Y HA 0.291 4.841 4.550 0.000 0.000 0.333 177 Y C 0.849 176.813 175.900 0.107 0.000 1.076 177 Y CA -0.125 58.037 58.100 0.102 0.000 1.299 177 Y CB 1.212 39.712 38.460 0.067 0.000 1.197 177 Y HN 0.125 nan 8.280 nan 0.000 0.517 178 V N 5.496 125.437 119.914 0.044 0.000 2.607 178 V HA 0.283 4.403 4.120 0.000 0.000 0.289 178 V C 0.173 176.254 176.094 -0.022 0.000 1.053 178 V CA -0.914 61.284 62.300 -0.170 0.000 0.996 178 V CB 1.287 32.764 31.823 -0.578 0.000 0.995 178 V HN 0.646 nan 8.190 nan 0.000 0.476 179 R N 4.242 124.676 120.500 -0.110 0.000 2.254 179 R HA 0.496 4.836 4.340 0.000 0.000 0.318 179 R C -0.553 175.600 176.300 -0.246 0.000 1.031 179 R CA -0.567 55.329 56.100 -0.341 0.000 0.905 179 R CB 0.518 30.555 30.300 -0.440 0.000 1.050 179 R HN 0.657 nan 8.270 nan 0.000 0.456 180 L N 2.275 123.364 121.223 -0.224 0.000 2.476 180 L HA 0.229 4.569 4.340 0.000 0.000 0.255 180 L C 1.496 178.300 176.870 -0.110 0.000 1.218 180 L CA -0.167 54.593 54.840 -0.132 0.000 0.819 180 L CB 0.509 42.516 42.059 -0.087 0.000 1.119 180 L HN 0.844 nan 8.230 nan 0.000 0.485 181 G N 0.304 109.074 108.800 -0.050 0.000 3.353 181 G HA2 0.021 3.981 3.960 0.000 0.000 0.247 181 G HA3 0.021 3.981 3.960 0.000 0.000 0.247 181 G C 0.042 174.916 174.900 -0.043 0.000 1.025 181 G CA -0.428 44.649 45.100 -0.039 0.000 1.863 181 G HN 0.734 nan 8.290 nan 0.000 0.635 182 D N 1.124 121.482 120.400 -0.070 0.000 2.414 182 D HA 0.097 4.737 4.640 0.000 0.000 0.242 182 D C -2.451 173.818 176.300 -0.051 0.000 1.129 182 D CA -1.466 52.499 54.000 -0.059 0.000 0.885 182 D CB 1.732 42.484 40.800 -0.079 0.000 1.198 182 D HN 0.111 nan 8.370 nan 0.000 0.437 183 P HA 0.136 nan 4.420 nan 0.000 0.276 183 P C -0.272 177.008 177.300 -0.033 0.000 1.235 183 P CA -0.533 62.549 63.100 -0.029 0.000 0.772 183 P CB 1.171 32.858 31.700 -0.021 0.000 0.871 184 I N 5.296 125.847 120.570 -0.030 0.000 2.412 184 I HA 0.347 4.517 4.170 0.000 0.000 0.296 184 I C -2.278 173.827 176.117 -0.020 0.000 0.987 184 I CA -3.346 57.938 61.300 -0.028 0.000 1.180 184 I CB 1.455 39.438 38.000 -0.030 0.000 1.340 184 I HN 0.178 nan 8.210 nan 0.000 0.455 185 P HA 0.200 nan 4.420 nan 0.000 0.258 185 P C -1.162 176.131 177.300 -0.012 0.000 1.172 185 P CA 0.272 63.364 63.100 -0.014 0.000 0.762 185 P CB 0.306 31.999 31.700 -0.012 0.000 0.764 186 A N 3.726 126.540 122.820 -0.011 0.000 2.599 186 A HA 0.664 4.984 4.320 0.000 0.000 0.294 186 A C -1.305 176.274 177.584 -0.007 0.000 1.055 186 A CA -0.595 51.437 52.037 -0.009 0.000 0.683 186 A CB 1.244 20.238 19.000 -0.010 0.000 1.278 186 A HN 0.455 nan 8.150 nan 0.000 0.412 187 I N -0.756 119.810 120.570 -0.006 0.000 2.608 187 I HA 0.954 5.124 4.170 0.000 0.000 0.295 187 I C 0.045 176.160 176.117 -0.005 0.000 1.049 187 I CA -0.481 60.816 61.300 -0.005 0.000 1.063 187 I CB 1.149 39.147 38.000 -0.005 0.000 1.248 187 I HN 1.115 nan 8.210 nan 0.000 0.424 188 G N 3.733 112.531 108.800 -0.004 0.000 2.682 188 G HA2 0.537 4.497 3.960 0.000 0.000 0.290 188 G HA3 0.537 4.497 3.960 0.000 0.000 0.290 188 G C -0.088 174.810 174.900 -0.003 0.000 1.425 188 G CA -0.772 44.326 45.100 -0.004 0.000 0.807 188 G HN 0.641 nan 8.290 nan 0.000 0.482 189 L N -0.491 120.731 121.223 -0.003 0.000 2.179 189 L HA 0.120 4.460 4.340 0.000 0.000 0.208 189 L C 0.900 177.768 176.870 -0.002 0.000 1.096 189 L CA 0.521 55.360 54.840 -0.002 0.000 0.779 189 L CB 0.104 42.162 42.059 -0.003 0.000 0.922 189 L HN 0.379 nan 8.230 nan 0.000 0.443 190 D N -0.015 120.384 120.400 -0.002 0.000 2.308 190 D HA 0.081 4.721 4.640 0.000 0.000 0.251 190 D C -1.686 174.613 176.300 -0.001 0.000 1.127 190 D CA -1.507 52.492 54.000 -0.002 0.000 0.876 190 D CB 2.008 42.806 40.800 -0.002 0.000 1.176 190 D HN -0.097 nan 8.370 nan 0.000 0.446 191 P HA 0.001 nan 4.420 nan 0.000 0.222 191 P C 0.344 177.645 177.300 0.001 0.000 1.153 191 P CA 0.888 63.989 63.100 0.000 0.000 0.798 191 P CB 0.329 32.029 31.700 0.001 0.000 0.796 192 K N -0.626 119.774 120.400 0.001 0.000 2.627 192 K HA 0.174 4.494 4.320 0.000 0.000 0.212 192 K C 0.535 177.136 176.600 0.001 0.000 1.041 192 K CA -0.203 56.085 56.287 0.002 0.000 1.205 192 K CB -0.383 32.119 32.500 0.003 0.000 0.936 192 K HN 0.242 nan 8.250 nan 0.000 0.489 193 M N 1.658 121.258 119.600 -0.000 0.000 2.180 193 M HA 0.156 4.636 4.480 0.000 0.000 0.358 193 M C -1.121 175.178 176.300 -0.002 0.000 1.233 193 M CA -0.205 55.094 55.300 -0.001 0.000 1.114 193 M CB 0.860 33.458 32.600 -0.003 0.000 1.594 193 M HN -0.200 nan 8.290 nan 0.000 0.467 194 V N 4.784 124.697 119.914 -0.002 0.000 2.483 194 V HA 0.749 4.869 4.120 0.000 0.000 0.297 194 V C -0.536 175.554 176.094 -0.007 0.000 1.027 194 V CA -0.760 61.538 62.300 -0.003 0.000 0.855 194 V CB 1.391 33.214 31.823 0.000 0.000 0.995 194 V HN 0.944 nan 8.190 nan 0.000 0.424 195 A N 3.674 126.488 122.820 -0.010 0.000 2.332 195 A HA 0.924 5.244 4.320 0.000 0.000 0.300 195 A C -0.075 177.496 177.584 -0.022 0.000 1.153 195 A CA -0.333 51.695 52.037 -0.015 0.000 0.764 195 A CB 1.429 20.420 19.000 -0.015 0.000 1.174 195 A HN 0.963 nan 8.150 nan 0.000 0.467 196 T N -1.869 112.668 114.554 -0.028 0.000 2.896 196 T HA 0.498 4.848 4.350 0.000 0.000 0.297 196 T C -0.698 173.969 174.700 -0.054 0.000 1.108 196 T CA -0.669 61.408 62.100 -0.038 0.000 1.004 196 T CB 1.304 70.153 68.868 -0.032 0.000 1.159 196 T HN 1.103 nan 8.240 nan 0.000 0.499 197 C N 3.320 122.578 119.300 -0.070 0.000 2.176 197 C HA 0.480 4.940 4.460 0.000 0.000 0.329 197 C C -0.110 174.817 174.990 -0.106 0.000 1.113 197 C CA -0.577 58.387 59.018 -0.089 0.000 1.562 197 C CB -2.053 25.629 27.740 -0.098 0.000 2.040 197 C HN 0.837 nan 8.230 nan 0.000 0.460 198 D N 2.830 123.169 120.400 -0.102 0.000 2.411 198 D HA 0.150 4.790 4.640 0.000 0.000 0.251 198 D C 0.219 176.463 176.300 -0.095 0.000 1.201 198 D CA 0.101 54.048 54.000 -0.089 0.000 0.996 198 D CB 0.880 41.640 40.800 -0.067 0.000 1.101 198 D HN 0.514 nan 8.370 nan 0.000 0.504 199 S N -0.096 115.562 115.700 -0.069 0.000 2.466 199 S HA 0.106 4.576 4.470 0.000 0.000 0.286 199 S C 1.194 175.783 174.600 -0.018 0.000 1.221 199 S CA -0.433 57.719 58.200 -0.080 0.000 1.091 199 S CB 0.288 63.423 63.200 -0.110 0.000 0.956 199 S HN 0.444 nan 8.310 nan 0.000 0.501 200 S N 1.941 117.630 115.700 -0.018 0.000 2.641 200 S HA 0.100 4.570 4.470 0.000 0.000 0.239 200 S C -0.079 174.558 174.600 0.061 0.000 1.081 200 S CA -0.465 57.755 58.200 0.032 0.000 0.904 200 S CB -0.527 62.668 63.200 -0.009 0.000 0.803 200 S HN 0.593 nan 8.310 nan 0.000 0.510 201 D N 2.967 123.396 120.400 0.048 0.000 2.629 201 D HA 0.150 4.790 4.640 0.000 0.000 0.228 201 D C 0.065 176.431 176.300 0.111 0.000 1.127 201 D CA 0.694 54.743 54.000 0.081 0.000 0.855 201 D CB 0.001 40.859 40.800 0.098 0.000 1.180 201 D HN 0.111 nan 8.370 nan 0.000 0.484 202 R N -0.081 120.486 120.500 0.112 0.000 3.084 202 R HA -0.115 4.225 4.340 0.000 0.000 0.258 202 R C -2.478 173.875 176.300 0.090 0.000 0.914 202 R CA 0.096 56.262 56.100 0.110 0.000 0.646 202 R CB -1.664 28.746 30.300 0.183 0.000 1.330 202 R HN 0.460 nan 8.270 nan 0.000 0.465 203 P HA 0.188 nan 4.420 nan 0.000 0.281 203 P C -0.497 176.803 177.300 -0.000 0.000 1.249 203 P CA -0.399 62.732 63.100 0.051 0.000 0.810 203 P CB 1.005 32.745 31.700 0.067 0.000 1.008 204 R N 1.645 122.127 120.500 -0.030 0.000 2.474 204 R HA 0.542 4.882 4.340 0.000 0.000 0.295 204 R C -1.321 174.897 176.300 -0.137 0.000 0.980 204 R CA -0.726 55.307 56.100 -0.111 0.000 0.934 204 R CB 1.017 31.236 30.300 -0.135 0.000 1.101 204 R HN 0.279 nan 8.270 nan 0.000 0.469 205 V N 5.141 124.934 119.914 -0.201 0.000 2.483 205 V HA 0.346 4.466 4.120 0.000 0.000 0.297 205 V C -1.280 174.696 176.094 -0.195 0.000 1.027 205 V CA -0.739 61.481 62.300 -0.134 0.000 0.855 205 V CB 1.475 33.256 31.823 -0.069 0.000 0.995 205 V HN 0.696 nan 8.190 nan 0.000 0.424 206 Y N 1.828 122.107 120.300 -0.036 0.000 2.328 206 Y HA 0.528 5.078 4.550 0.000 0.000 0.337 206 Y C 0.812 176.671 175.900 -0.067 0.000 1.008 206 Y CA -0.446 57.630 58.100 -0.041 0.000 1.129 206 Y CB 2.019 40.461 38.460 -0.030 0.000 1.185 206 Y HN 0.522 nan 8.280 nan 0.000 0.476 207 T N 5.659 120.255 114.554 0.070 0.000 2.821 207 T HA 0.416 4.766 4.350 0.000 0.000 0.307 207 T C -0.477 174.178 174.700 -0.074 0.000 1.034 207 T CA -0.500 61.587 62.100 -0.021 0.000 0.953 207 T CB -0.026 68.820 68.868 -0.036 0.000 0.968 207 T HN 0.251 nan 8.240 nan 0.000 0.462 208 I N 3.718 124.190 120.570 -0.164 0.000 2.328 208 I HA 0.217 4.387 4.170 0.000 0.000 0.287 208 I C 0.716 176.618 176.117 -0.357 0.000 1.012 208 I CA -0.587 60.526 61.300 -0.311 0.000 1.195 208 I CB 0.752 38.426 38.000 -0.544 0.000 1.350 208 I HN 0.461 nan 8.210 nan 0.000 0.464 209 T N 6.469 120.862 114.554 -0.268 0.000 3.176 209 T HA 0.240 4.590 4.350 0.000 0.000 0.301 209 T C 1.534 176.074 174.700 -0.267 0.000 1.115 209 T CA -0.219 61.748 62.100 -0.221 0.000 1.027 209 T CB 0.706 69.497 68.868 -0.129 0.000 1.063 209 T HN 0.723 nan 8.240 nan 0.000 0.669 210 A N 2.735 125.341 122.820 -0.356 0.000 1.978 210 A HA 0.374 4.694 4.320 0.000 0.000 0.220 210 A C 1.278 178.805 177.584 -0.094 0.000 1.170 210 A CA 1.108 52.969 52.037 -0.294 0.000 0.636 210 A CB -0.073 18.819 19.000 -0.180 0.000 0.810 210 A HN 0.923 nan 8.150 nan 0.000 0.448 211 A N -1.566 121.212 122.820 -0.070 0.000 2.594 211 A HA 0.532 4.853 4.320 0.000 0.000 0.296 211 A C -1.799 175.795 177.584 0.017 0.000 1.061 211 A CA -0.149 51.895 52.037 0.011 0.000 0.689 211 A CB 0.890 19.942 19.000 0.088 0.000 1.280 211 A HN 0.071 nan 8.150 nan 0.000 0.406 212 D N 1.732 122.169 120.400 0.062 0.000 2.400 212 D HA 0.459 5.099 4.640 0.000 0.000 0.272 212 D C -0.810 175.541 176.300 0.084 0.000 1.220 212 D CA 0.342 54.369 54.000 0.046 0.000 0.897 212 D CB 0.129 40.944 40.800 0.026 0.000 1.134 212 D HN 0.443 nan 8.370 nan 0.000 0.507 213 D N 1.800 122.256 120.400 0.094 0.000 2.718 213 D HA -0.281 4.359 4.640 0.000 0.000 0.242 213 D C -0.797 175.591 176.300 0.147 0.000 1.123 213 D CA 0.428 54.489 54.000 0.102 0.000 0.690 213 D CB -1.648 39.189 40.800 0.061 0.000 1.059 213 D HN 0.463 nan 8.370 nan 0.000 0.429 214 Y N 1.228 121.583 120.300 0.091 0.000 2.402 214 Y HA 0.259 4.809 4.550 0.000 0.000 0.333 214 Y C 0.348 176.318 175.900 0.117 0.000 1.076 214 Y CA -0.047 58.117 58.100 0.107 0.000 1.299 214 Y CB 0.675 39.226 38.460 0.151 0.000 1.197 214 Y HN -0.065 nan 8.280 nan 0.000 0.517 215 Q N 7.374 126.802 119.800 -0.620 0.000 2.322 215 Q HA 0.164 4.504 4.340 0.000 0.000 0.256 215 Q C -1.259 174.208 176.000 -0.888 0.000 0.960 215 Q CA -0.323 55.154 55.803 -0.543 0.000 0.934 215 Q CB 1.093 29.643 28.738 -0.313 0.000 1.200 215 Q HN 0.716 nan 8.270 nan 0.000 0.435 216 F N 1.515 120.923 119.950 -0.904 0.000 2.422 216 F HA 0.504 5.031 4.527 0.000 0.000 0.333 216 F C -0.358 175.083 175.800 -0.598 0.000 1.095 216 F CA -0.634 56.796 58.000 -0.949 0.000 1.038 216 F CB 1.550 39.475 39.000 -1.792 0.000 1.156 216 F HN 0.336 nan 8.300 nan 0.000 0.483 217 S N 4.247 119.128 115.700 -1.365 0.000 2.626 217 S HA 0.613 5.083 4.470 0.000 0.000 0.275 217 S C -1.436 172.613 174.600 -0.919 0.000 1.175 217 S CA -0.333 57.292 58.200 -0.958 0.000 0.982 217 S CB 0.850 63.758 63.200 -0.487 0.000 1.093 217 S HN 0.997 nan 8.310 nan 0.000 0.472 218 S N 3.181 118.445 115.700 -0.726 0.000 2.565 218 S HA 0.436 4.906 4.470 0.000 0.000 0.274 218 S C -1.502 173.006 174.600 -0.153 0.000 1.144 218 S CA -0.607 57.363 58.200 -0.383 0.000 0.849 218 S CB 1.523 64.516 63.200 -0.344 0.000 1.103 218 S HN 0.801 nan 8.310 nan 0.000 0.455 219 Q N 1.187 120.950 119.800 -0.062 0.000 2.382 219 Q HA 0.269 4.609 4.340 0.000 0.000 0.229 219 Q C -0.786 175.270 176.000 0.094 0.000 1.006 219 Q CA -0.293 55.524 55.803 0.024 0.000 0.916 219 Q CB 0.426 29.177 28.738 0.022 0.000 1.235 219 Q HN 0.691 nan 8.270 nan 0.000 0.512 220 Y N 1.180 121.494 120.300 0.022 0.000 2.550 220 Y HA 0.040 4.590 4.550 0.000 0.000 0.343 220 Y C -0.473 175.451 175.900 0.041 0.000 1.245 220 Y CA 0.488 58.614 58.100 0.044 0.000 1.462 220 Y CB 0.620 39.103 38.460 0.038 0.000 1.340 220 Y HN 0.509 nan 8.280 nan 0.000 0.604 221 Q N 6.542 125.751 119.800 -0.985 0.000 2.313 221 Q HA 0.359 4.699 4.340 0.000 0.000 0.260 221 Q C -3.038 172.421 176.000 -0.902 0.000 0.972 221 Q CA -2.094 53.278 55.803 -0.719 0.000 0.886 221 Q CB 1.992 30.565 28.738 -0.275 0.000 1.373 221 Q HN 0.438 nan 8.270 nan 0.000 0.416 222 P HA 0.188 nan 4.420 nan 0.000 0.265 222 P C 0.440 177.647 177.300 -0.156 0.000 1.222 222 P CA 1.366 64.302 63.100 -0.272 0.000 0.767 222 P CB 0.751 32.407 31.700 -0.073 0.000 0.801 223 G N 2.209 110.952 108.800 -0.095 0.000 2.307 223 G HA2 0.104 4.064 3.960 0.000 0.000 0.210 223 G HA3 0.104 4.064 3.960 0.000 0.000 0.210 223 G C 0.331 175.209 174.900 -0.037 0.000 1.005 223 G CA 0.278 45.351 45.100 -0.045 0.000 0.634 223 G HN 1.036 nan 8.290 nan 0.000 0.496 224 G N -1.951 106.801 108.800 -0.080 0.000 2.570 224 G HA2 0.370 4.330 3.960 0.000 0.000 0.686 224 G HA3 0.370 4.330 3.960 0.000 0.000 0.686 224 G C -0.668 174.232 174.900 -0.001 0.000 1.257 224 G CA 0.069 45.156 45.100 -0.022 0.000 0.846 224 G HN 1.479 nan 8.290 nan 0.000 0.627 225 V N 1.201 121.158 119.914 0.071 0.000 2.370 225 V HA 0.660 4.780 4.120 0.000 0.000 0.283 225 V C 0.564 176.732 176.094 0.125 0.000 1.023 225 V CA -0.203 62.168 62.300 0.119 0.000 0.857 225 V CB 1.457 33.421 31.823 0.235 0.000 0.985 225 V HN 0.966 nan 8.190 nan 0.000 0.443 226 T N 6.981 121.589 114.554 0.090 0.000 2.795 226 T HA 0.758 5.108 4.350 0.000 0.000 0.282 226 T C -0.217 174.539 174.700 0.094 0.000 0.980 226 T CA -0.158 61.987 62.100 0.075 0.000 1.012 226 T CB 0.970 69.865 68.868 0.045 0.000 0.936 226 T HN 0.664 nan 8.240 nan 0.000 0.457 227 I N -0.972 119.655 120.570 0.095 0.000 2.865 227 I HA 0.639 4.809 4.170 0.000 0.000 0.302 227 I C -0.691 175.470 176.117 0.072 0.000 1.140 227 I CA -1.007 60.359 61.300 0.110 0.000 1.021 227 I CB 2.477 40.589 38.000 0.187 0.000 1.233 227 I HN 0.311 nan 8.210 nan 0.000 0.427 228 T N 5.042 119.621 114.554 0.041 0.000 2.832 228 T HA 0.252 4.602 4.350 0.000 0.000 0.313 228 T C 0.793 175.485 174.700 -0.013 0.000 1.035 228 T CA -0.289 61.803 62.100 -0.014 0.000 0.950 228 T CB 1.075 69.914 68.868 -0.049 0.000 0.984 228 T HN 0.578 nan 8.240 nan 0.000 0.486 229 L N 4.178 125.397 121.223 -0.006 0.000 2.012 229 L HA 0.146 4.486 4.340 0.000 0.000 0.210 229 L C 0.297 177.221 176.870 0.089 0.000 1.073 229 L CA 1.926 56.789 54.840 0.040 0.000 0.748 229 L CB -0.259 41.897 42.059 0.162 0.000 0.891 229 L HN 0.742 nan 8.230 nan 0.000 0.431 230 F N -3.821 116.116 119.950 -0.021 0.000 2.741 230 F HA 0.602 5.129 4.527 0.000 0.000 0.313 230 F C -0.706 175.084 175.800 -0.016 0.000 1.153 230 F CA -0.893 57.086 58.000 -0.035 0.000 0.931 230 F CB 0.931 39.901 39.000 -0.051 0.000 1.335 230 F HN -0.335 nan 8.300 nan 0.000 0.460 231 S N 1.427 117.247 115.700 0.201 0.000 2.680 231 S HA 0.799 5.269 4.470 0.000 0.000 0.262 231 S C -1.357 173.344 174.600 0.168 0.000 1.138 231 S CA 0.184 58.431 58.200 0.079 0.000 1.072 231 S CB 0.377 63.566 63.200 -0.019 0.000 1.097 231 S HN 1.506 nan 8.310 nan 0.000 0.468 232 A N 4.093 127.036 122.820 0.205 0.000 2.356 232 A HA 0.804 5.124 4.320 0.000 0.000 0.323 232 A C -0.556 177.023 177.584 -0.008 0.000 1.119 232 A CA -0.887 51.201 52.037 0.086 0.000 0.790 232 A CB 0.862 19.897 19.000 0.059 0.000 1.273 232 A HN 0.734 nan 8.150 nan 0.000 0.452 233 N N 0.745 119.422 118.700 -0.039 0.000 2.444 233 N HA 0.515 5.255 4.740 0.000 0.000 0.271 233 N C -0.622 174.763 175.510 -0.208 0.000 1.069 233 N CA 0.089 53.099 53.050 -0.065 0.000 0.965 233 N CB 1.042 39.529 38.487 -0.001 0.000 1.092 233 N HN 0.663 nan 8.380 nan 0.000 0.476 234 I N -1.697 118.710 120.570 -0.271 0.000 3.174 234 I HA 0.600 4.770 4.170 0.000 0.000 0.313 234 I C -0.756 175.287 176.117 -0.122 0.000 1.155 234 I CA -0.809 60.156 61.300 -0.559 0.000 0.977 234 I CB 2.113 39.605 38.000 -0.846 0.000 1.248 234 I HN 0.095 nan 8.210 nan 0.000 0.453 235 D N 1.766 122.199 120.400 0.054 0.000 2.619 235 D HA 0.787 5.427 4.640 0.000 0.000 0.241 235 D C -1.256 175.117 176.300 0.122 0.000 1.087 235 D CA -0.253 53.823 54.000 0.126 0.000 0.851 235 D CB 2.337 43.254 40.800 0.194 0.000 1.474 235 D HN 1.012 nan 8.370 nan 0.000 0.478 236 A N 1.674 124.535 122.820 0.069 0.000 2.577 236 A HA 0.506 4.826 4.320 0.000 0.000 0.297 236 A C -0.490 177.091 177.584 -0.005 0.000 1.060 236 A CA -0.499 51.564 52.037 0.044 0.000 0.697 236 A CB 0.806 19.829 19.000 0.039 0.000 1.281 236 A HN 0.529 nan 8.150 nan 0.000 0.402 237 I N 0.189 120.741 120.570 -0.029 0.000 4.398 237 I HA 0.115 4.285 4.170 0.000 0.000 0.310 237 I C 1.157 177.252 176.117 -0.036 0.000 1.232 237 I CA 0.937 62.178 61.300 -0.099 0.000 1.312 237 I CB 0.655 38.498 38.000 -0.262 0.000 1.347 237 I HN 0.787 nan 8.210 nan 0.000 0.454 238 T N -0.682 113.891 114.554 0.031 0.000 2.919 238 T HA 0.413 4.763 4.350 0.000 0.000 0.282 238 T C 0.424 175.170 174.700 0.077 0.000 1.020 238 T CA -0.486 61.654 62.100 0.067 0.000 0.994 238 T CB 1.370 70.308 68.868 0.117 0.000 1.180 238 T HN 0.189 nan 8.240 nan 0.000 0.566 239 S N 0.547 116.310 115.700 0.105 0.000 2.553 239 S HA 0.267 4.737 4.470 0.000 0.000 0.293 239 S C 0.059 174.765 174.600 0.177 0.000 1.296 239 S CA -0.317 57.976 58.200 0.155 0.000 1.046 239 S CB -1.015 62.303 63.200 0.197 0.000 0.810 239 S HN 1.209 nan 8.310 nan 0.000 0.505 240 L N -0.945 120.337 121.223 0.098 0.000 2.491 240 L HA 0.934 5.274 4.340 0.000 0.000 0.254 240 L C -0.775 176.074 176.870 -0.035 0.000 1.048 240 L CA -1.031 53.741 54.840 -0.113 0.000 0.855 240 L CB 1.882 43.909 42.059 -0.053 0.000 1.466 240 L HN 0.878 nan 8.230 nan 0.000 0.409 241 S N -0.180 115.455 115.700 -0.108 0.000 2.546 241 S HA 0.854 5.324 4.470 0.000 0.000 0.274 241 S C -1.075 173.540 174.600 0.024 0.000 1.121 241 S CA -0.681 57.535 58.200 0.028 0.000 0.887 241 S CB 1.935 65.208 63.200 0.121 0.000 1.094 241 S HN 0.632 nan 8.310 nan 0.000 0.474 242 V N 1.927 121.883 119.914 0.070 0.000 2.448 242 V HA 0.854 4.974 4.120 0.000 0.000 0.295 242 V C 0.753 176.919 176.094 0.120 0.000 1.025 242 V CA 0.056 62.408 62.300 0.087 0.000 0.859 242 V CB 1.219 33.122 31.823 0.133 0.000 0.988 242 V HN 1.234 nan 8.190 nan 0.000 0.431 243 G N 1.884 110.729 108.800 0.075 0.000 2.714 243 G HA2 0.916 4.876 3.960 0.000 0.000 0.292 243 G HA3 0.916 4.876 3.960 0.000 0.000 0.292 243 G C -0.211 174.704 174.900 0.024 0.000 1.308 243 G CA -0.268 44.886 45.100 0.091 0.000 0.964 243 G HN 1.431 nan 8.290 nan 0.000 0.484 244 G N -1.225 107.610 108.800 0.058 0.000 2.331 244 G HA2 0.420 4.380 3.960 0.000 0.000 0.402 244 G HA3 0.420 4.380 3.960 0.000 0.000 0.402 244 G C -1.166 173.803 174.900 0.115 0.000 1.275 244 G CA 0.080 45.173 45.100 -0.012 0.000 1.003 244 G HN 1.017 nan 8.290 nan 0.000 0.500 245 E N -1.079 119.157 120.200 0.060 0.000 2.381 245 E HA 0.506 4.856 4.350 0.000 0.000 0.286 245 E C -1.482 175.177 176.600 0.098 0.000 0.960 245 E CA -0.751 55.764 56.400 0.192 0.000 0.793 245 E CB 1.540 31.316 29.700 0.126 0.000 1.225 245 E HN 0.606 nan 8.360 nan 0.000 0.420 246 L N 3.622 124.962 121.223 0.195 0.000 2.322 246 L HA 0.552 4.892 4.340 0.000 0.000 0.281 246 L C -0.657 176.174 176.870 -0.065 0.000 1.014 246 L CA -1.080 53.763 54.840 0.005 0.000 0.815 246 L CB 1.827 43.909 42.059 0.038 0.000 1.247 246 L HN 0.339 nan 8.230 nan 0.000 0.421 247 V N 3.637 123.441 119.914 -0.184 0.000 2.370 247 V HA 0.394 4.514 4.120 0.000 0.000 0.283 247 V C -0.432 175.517 176.094 -0.242 0.000 1.023 247 V CA -0.381 61.859 62.300 -0.100 0.000 0.857 247 V CB 1.292 33.097 31.823 -0.030 0.000 0.985 247 V HN 0.360 nan 8.190 nan 0.000 0.443 248 F N 4.539 124.484 119.950 -0.008 0.000 2.443 248 F HA 0.704 5.231 4.527 0.000 0.000 0.335 248 F C 0.594 176.419 175.800 0.041 0.000 1.104 248 F CA -0.651 57.343 58.000 -0.009 0.000 1.013 248 F CB 1.501 40.403 39.000 -0.164 0.000 1.136 248 F HN 0.244 nan 8.300 nan 0.000 0.470 249 R N 1.272 121.941 120.500 0.282 0.000 2.670 249 R HA 0.701 5.041 4.340 0.000 0.000 0.289 249 R C -0.725 175.721 176.300 0.243 0.000 0.965 249 R CA -0.702 55.518 56.100 0.200 0.000 0.899 249 R CB 2.148 32.532 30.300 0.141 0.000 1.173 249 R HN 0.723 nan 8.270 nan 0.000 0.456 250 T N -0.999 113.651 114.554 0.159 0.000 2.821 250 T HA 0.327 4.678 4.350 0.000 0.000 0.306 250 T C 0.018 174.742 174.700 0.039 0.000 1.313 250 T CA -0.282 61.905 62.100 0.146 0.000 1.012 250 T CB 1.576 70.550 68.868 0.177 0.000 1.298 250 T HN 0.415 nan 8.240 nan 0.000 0.502 251 S N 0.471 116.181 115.700 0.016 0.000 2.554 251 S HA 0.275 4.745 4.470 0.000 0.000 0.227 251 S C 0.308 174.832 174.600 -0.126 0.000 1.050 251 S CA -0.105 58.065 58.200 -0.050 0.000 0.927 251 S CB 0.518 63.713 63.200 -0.007 0.000 0.859 251 S HN 0.600 nan 8.310 nan 0.000 0.494 252 V N 4.102 123.983 119.914 -0.055 0.000 2.583 252 V HA 0.241 4.361 4.120 0.000 0.000 0.287 252 V C 0.145 176.182 176.094 -0.095 0.000 1.051 252 V CA -0.501 61.782 62.300 -0.029 0.000 1.010 252 V CB 0.460 32.320 31.823 0.061 0.000 0.988 252 V HN 0.439 nan 8.190 nan 0.000 0.478 253 H N 2.473 121.571 119.070 0.047 0.000 2.505 253 H HA 0.339 4.895 4.556 0.000 0.000 0.351 253 H C 1.213 176.561 175.328 0.034 0.000 1.151 253 H CA 0.670 56.740 56.048 0.036 0.000 1.339 253 H CB 1.337 31.112 29.762 0.021 0.000 1.483 253 H HN 0.987 nan 8.280 nan 0.000 0.558 254 G N 2.307 111.199 108.800 0.154 0.000 2.295 254 G HA2 -0.241 3.719 3.960 0.000 0.000 0.287 254 G HA3 -0.241 3.719 3.960 0.000 0.000 0.287 254 G C -0.121 174.825 174.900 0.077 0.000 1.055 254 G CA -0.053 45.102 45.100 0.092 0.000 0.922 254 G HN 0.419 nan 8.290 nan 0.000 0.503 255 L N -0.333 120.933 121.223 0.072 0.000 2.307 255 L HA 0.646 4.986 4.340 0.000 0.000 0.282 255 L C 0.330 177.210 176.870 0.018 0.000 1.051 255 L CA -1.130 53.758 54.840 0.081 0.000 0.804 255 L CB 1.884 44.017 42.059 0.124 0.000 1.197 255 L HN -0.025 nan 8.230 nan 0.000 0.431 256 V N 4.816 124.738 119.914 0.013 0.000 2.487 256 V HA 0.455 4.575 4.120 0.000 0.000 0.298 256 V C 0.018 176.054 176.094 -0.097 0.000 1.028 256 V CA -0.493 61.780 62.300 -0.045 0.000 0.860 256 V CB 2.019 33.834 31.823 -0.014 0.000 0.991 256 V HN 0.531 nan 8.190 nan 0.000 0.427 257 L N 3.533 124.632 121.223 -0.207 0.000 2.331 257 L HA 0.899 5.239 4.340 0.000 0.000 0.275 257 L C 0.556 177.292 176.870 -0.224 0.000 1.022 257 L CA -0.426 54.234 54.840 -0.299 0.000 0.812 257 L CB 1.993 43.686 42.059 -0.610 0.000 1.257 257 L HN 0.778 nan 8.230 nan 0.000 0.435 258 G N 1.146 109.832 108.800 -0.190 0.000 2.683 258 G HA2 0.693 4.653 3.960 0.000 0.000 0.299 258 G HA3 0.693 4.653 3.960 0.000 0.000 0.299 258 G C -1.419 173.404 174.900 -0.128 0.000 1.432 258 G CA -0.298 44.720 45.100 -0.136 0.000 0.978 258 G HN 0.718 nan 8.290 nan 0.000 0.513 259 A N 1.998 124.735 122.820 -0.138 0.000 2.355 259 A HA 0.946 5.266 4.320 0.000 0.000 0.317 259 A C -0.234 177.276 177.584 -0.124 0.000 1.094 259 A CA -0.654 51.319 52.037 -0.106 0.000 0.764 259 A CB 1.867 20.799 19.000 -0.113 0.000 1.230 259 A HN 0.702 nan 8.150 nan 0.000 0.448 260 T N 2.879 117.372 114.554 -0.101 0.000 2.971 260 T HA 0.437 4.788 4.350 0.000 0.000 0.304 260 T C -0.745 173.794 174.700 -0.267 0.000 1.038 260 T CA -0.340 61.618 62.100 -0.237 0.000 1.007 260 T CB 0.969 69.642 68.868 -0.325 0.000 1.055 260 T HN 0.462 nan 8.240 nan 0.000 0.451 261 I N 3.382 123.777 120.570 -0.291 0.000 2.353 261 I HA 0.403 4.573 4.170 0.000 0.000 0.293 261 I C -0.856 175.062 176.117 -0.331 0.000 0.992 261 I CA -0.868 60.333 61.300 -0.164 0.000 1.268 261 I CB 0.918 38.925 38.000 0.012 0.000 1.387 261 I HN 0.669 nan 8.210 nan 0.000 0.478 262 Y N 6.094 126.368 120.300 -0.044 0.000 2.364 262 Y HA 0.480 5.031 4.550 0.000 0.000 0.340 262 Y C -0.062 175.815 175.900 -0.038 0.000 0.975 262 Y CA -0.729 57.347 58.100 -0.041 0.000 1.089 262 Y CB 1.665 40.092 38.460 -0.055 0.000 1.192 262 Y HN 0.276 nan 8.280 nan 0.000 0.454 263 L N 5.512 126.801 121.223 0.110 0.000 2.277 263 L HA 0.493 4.833 4.340 0.000 0.000 0.284 263 L C -0.636 176.267 176.870 0.055 0.000 1.028 263 L CA -0.284 54.590 54.840 0.057 0.000 0.835 263 L CB 0.470 42.547 42.059 0.029 0.000 1.215 263 L HN 0.545 nan 8.230 nan 0.000 0.425 264 I N 1.902 122.495 120.570 0.038 0.000 2.499 264 I HA 0.403 4.573 4.170 0.000 0.000 0.296 264 I C 1.122 177.251 176.117 0.020 0.000 0.992 264 I CA -0.260 61.053 61.300 0.021 0.000 1.297 264 I CB 1.450 39.448 38.000 -0.004 0.000 1.410 264 I HN 0.544 nan 8.210 nan 0.000 0.507 265 G N 2.612 111.425 108.800 0.023 0.000 2.543 265 G HA2 0.152 4.112 3.960 0.000 0.000 0.290 265 G HA3 0.152 4.112 3.960 0.000 0.000 0.290 265 G C 0.192 175.148 174.900 0.093 0.000 1.310 265 G CA -0.291 44.843 45.100 0.056 0.000 1.025 265 G HN 0.613 nan 8.290 nan 0.000 0.502 266 F N 0.636 120.581 119.950 -0.009 0.000 2.186 266 F HA -0.054 4.473 4.527 0.000 0.000 0.299 266 F C 2.318 178.053 175.800 -0.108 0.000 1.090 266 F CA 1.828 59.752 58.000 -0.128 0.000 1.307 266 F CB 0.143 38.930 39.000 -0.355 0.000 1.019 266 F HN 0.408 nan 8.300 nan 0.000 0.489 267 D N -0.912 119.503 120.400 0.025 0.000 2.349 267 D HA 0.103 4.743 4.640 0.000 0.000 0.224 267 D C 1.883 178.160 176.300 -0.038 0.000 1.029 267 D CA 0.861 54.868 54.000 0.011 0.000 0.879 267 D CB -0.671 40.292 40.800 0.273 0.000 0.906 267 D HN 0.435 nan 8.370 nan 0.000 0.528 268 G N -0.469 108.291 108.800 -0.066 0.000 2.179 268 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 268 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 268 G C 0.423 175.305 174.900 -0.029 0.000 0.977 268 G CA 0.492 45.554 45.100 -0.063 0.000 0.641 268 G HN 0.493 nan 8.290 nan 0.000 0.533 269 T N 1.864 116.422 114.554 0.007 0.000 2.910 269 T HA 0.504 4.854 4.350 0.000 0.000 0.293 269 T C 0.638 175.344 174.700 0.011 0.000 1.015 269 T CA 0.485 62.594 62.100 0.014 0.000 1.094 269 T CB 1.320 70.216 68.868 0.046 0.000 0.968 269 T HN 0.210 nan 8.240 nan 0.000 0.521 270 T N 2.814 117.376 114.554 0.014 0.000 2.799 270 T HA 0.157 4.507 4.350 0.000 0.000 0.296 270 T C 1.431 176.157 174.700 0.043 0.000 0.947 270 T CA -0.461 61.666 62.100 0.045 0.000 1.141 270 T CB 0.626 69.545 68.868 0.084 0.000 0.891 270 T HN 0.371 nan 8.240 nan 0.000 0.533 271 V N 4.025 123.959 119.914 0.034 0.000 2.575 271 V HA 0.274 4.394 4.120 0.000 0.000 0.242 271 V C 0.719 176.824 176.094 0.017 0.000 1.045 271 V CA 0.883 63.186 62.300 0.005 0.000 1.065 271 V CB -0.013 31.796 31.823 -0.023 0.000 0.717 271 V HN 0.741 nan 8.190 nan 0.000 0.467 272 I N -0.183 120.407 120.570 0.032 0.000 2.607 272 I HA 0.372 4.542 4.170 0.000 0.000 0.290 272 I C -0.727 175.396 176.117 0.010 0.000 1.129 272 I CA -0.085 61.225 61.300 0.017 0.000 1.042 272 I CB 2.319 40.321 38.000 0.002 0.000 1.242 272 I HN -0.002 nan 8.210 nan 0.000 0.421 273 T N 6.063 120.599 114.554 -0.029 0.000 2.815 273 T HA 0.536 4.886 4.350 0.000 0.000 0.289 273 T C -0.802 173.789 174.700 -0.183 0.000 1.000 273 T CA -0.571 61.435 62.100 -0.157 0.000 0.958 273 T CB 0.547 69.369 68.868 -0.076 0.000 0.944 273 T HN 0.408 nan 8.240 nan 0.000 0.442 274 R N 3.159 123.511 120.500 -0.246 0.000 2.513 274 R HA 0.643 4.983 4.340 0.000 0.000 0.301 274 R C -0.520 175.651 176.300 -0.216 0.000 0.968 274 R CA -0.742 55.254 56.100 -0.173 0.000 0.872 274 R CB 1.704 31.942 30.300 -0.103 0.000 1.177 274 R HN 0.767 nan 8.270 nan 0.000 0.444 275 A N 3.072 125.787 122.820 -0.174 0.000 2.347 275 A HA 0.287 4.607 4.320 0.000 0.000 0.287 275 A C 1.126 178.606 177.584 -0.173 0.000 1.199 275 A CA -0.443 51.491 52.037 -0.172 0.000 0.851 275 A CB 0.380 19.302 19.000 -0.130 0.000 1.118 275 A HN 0.520 nan 8.150 nan 0.000 0.525 276 V N 2.119 121.904 119.914 -0.216 0.000 2.407 276 V HA 0.188 4.308 4.120 0.000 0.000 0.245 276 V C 1.259 177.184 176.094 -0.281 0.000 1.041 276 V CA 1.932 64.047 62.300 -0.308 0.000 1.040 276 V CB -0.659 30.844 31.823 -0.534 0.000 0.671 276 V HN 1.142 nan 8.190 nan 0.000 0.455 277 A N -0.438 122.241 122.820 -0.234 0.000 2.509 277 A HA 0.800 5.120 4.320 0.000 0.000 0.282 277 A C -0.669 176.821 177.584 -0.158 0.000 1.054 277 A CA 0.186 52.107 52.037 -0.193 0.000 0.820 277 A CB 0.990 19.858 19.000 -0.219 0.000 1.333 277 A HN 0.473 nan 8.150 nan 0.000 0.409 278 A N 2.620 125.366 122.820 -0.124 0.000 2.330 278 A HA 0.746 5.067 4.320 0.000 0.000 0.327 278 A C 0.370 177.901 177.584 -0.089 0.000 1.155 278 A CA -0.214 51.763 52.037 -0.100 0.000 0.803 278 A CB 0.189 19.142 19.000 -0.078 0.000 1.208 278 A HN 2.156 nan 8.150 nan 0.000 0.477 279 N N 1.274 119.924 118.700 -0.083 0.000 2.573 279 N HA -0.182 4.558 4.740 0.000 0.000 0.280 279 N C -1.083 174.378 175.510 -0.082 0.000 1.187 279 N CA 0.901 53.909 53.050 -0.069 0.000 0.717 279 N CB -0.762 37.697 38.487 -0.047 0.000 0.899 279 N HN 0.737 nan 8.380 nan 0.000 0.546 280 N N 1.206 119.839 118.700 -0.112 0.000 2.491 280 N HA 0.476 5.216 4.740 0.000 0.000 0.274 280 N C -0.071 175.366 175.510 -0.122 0.000 1.023 280 N CA 0.178 53.154 53.050 -0.123 0.000 0.902 280 N CB 1.147 39.529 38.487 -0.174 0.000 1.267 280 N HN 0.482 nan 8.380 nan 0.000 0.503 281 G N 2.603 111.356 108.800 -0.077 0.000 2.467 281 G HA2 0.459 4.419 3.960 0.000 0.000 0.257 281 G HA3 0.459 4.419 3.960 0.000 0.000 0.257 281 G C -0.104 174.760 174.900 -0.060 0.000 1.227 281 G CA -0.334 44.733 45.100 -0.055 0.000 0.835 281 G HN 0.536 nan 8.290 nan 0.000 0.556 282 L N 1.208 122.403 121.223 -0.047 0.000 2.309 282 L HA 0.405 4.745 4.340 0.000 0.000 0.282 282 L C 0.314 177.186 176.870 0.002 0.000 1.036 282 L CA -0.669 54.150 54.840 -0.034 0.000 0.806 282 L CB 2.008 44.043 42.059 -0.040 0.000 1.220 282 L HN 0.383 nan 8.230 nan 0.000 0.429 283 T N 0.532 115.092 114.554 0.011 0.000 2.867 283 T HA 0.267 4.617 4.350 0.000 0.000 0.282 283 T C 0.128 174.830 174.700 0.003 0.000 1.000 283 T CA -0.487 61.626 62.100 0.021 0.000 1.042 283 T CB 1.352 70.237 68.868 0.029 0.000 0.973 283 T HN 0.483 nan 8.240 nan 0.000 0.465 284 T N 2.326 116.860 114.554 -0.032 0.000 2.870 284 T HA 0.435 4.785 4.350 0.000 0.000 0.300 284 T C 1.382 176.074 174.700 -0.013 0.000 0.989 284 T CA 0.475 62.524 62.100 -0.085 0.000 1.139 284 T CB 0.537 69.241 68.868 -0.273 0.000 0.920 284 T HN 1.005 nan 8.240 nan 0.000 0.537 285 G N 3.018 111.817 108.800 -0.002 0.000 2.198 285 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 285 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 285 G C 0.165 175.083 174.900 0.030 0.000 1.025 285 G CA 0.244 45.355 45.100 0.020 0.000 0.769 285 G HN 0.922 nan 8.290 nan 0.000 0.507 286 T N -0.345 114.230 114.554 0.036 0.000 2.883 286 T HA 0.466 4.816 4.350 0.000 0.000 0.301 286 T C -1.072 173.659 174.700 0.051 0.000 1.158 286 T CA -0.841 61.282 62.100 0.039 0.000 1.007 286 T CB 1.918 70.807 68.868 0.035 0.000 1.186 286 T HN 0.084 nan 8.240 nan 0.000 0.499 287 D N 2.449 122.878 120.400 0.049 0.000 2.343 287 D HA 0.199 4.839 4.640 0.000 0.000 0.255 287 D C -0.432 175.908 176.300 0.067 0.000 1.187 287 D CA 0.024 54.059 54.000 0.059 0.000 0.875 287 D CB 0.530 41.358 40.800 0.045 0.000 1.136 287 D HN 0.342 nan 8.370 nan 0.000 0.469 288 N N 2.181 120.940 118.700 0.098 0.000 2.485 288 N HA 0.233 4.973 4.740 0.000 0.000 0.243 288 N C -0.410 175.184 175.510 0.140 0.000 0.987 288 N CA -0.401 52.709 53.050 0.100 0.000 0.940 288 N CB 1.084 39.629 38.487 0.096 0.000 1.122 288 N HN 0.193 nan 8.380 nan 0.000 0.509 289 L N 1.760 123.038 121.223 0.092 0.000 2.349 289 L HA 0.410 4.750 4.340 0.000 0.000 0.275 289 L C 0.284 177.213 176.870 0.100 0.000 1.115 289 L CA -0.088 54.811 54.840 0.097 0.000 0.820 289 L CB 0.737 42.833 42.059 0.062 0.000 1.135 289 L HN 0.464 nan 8.230 nan 0.000 0.445 290 M N 5.655 125.344 119.600 0.148 0.000 1.998 290 M HA 0.410 4.890 4.480 0.000 0.000 0.289 290 M C -2.618 173.744 176.300 0.103 0.000 0.886 290 M CA -1.582 53.777 55.300 0.098 0.000 0.853 290 M CB 1.435 34.159 32.600 0.207 0.000 1.462 290 M HN 0.201 nan 8.290 nan 0.000 0.375 291 P HA 0.216 nan 4.420 nan 0.000 0.272 291 P C -1.408 175.884 177.300 -0.015 0.000 1.223 291 P CA 0.128 63.286 63.100 0.097 0.000 0.784 291 P CB 0.409 32.134 31.700 0.042 0.000 0.923 292 F N 1.737 121.699 119.950 0.021 0.000 2.434 292 F HA 0.354 4.881 4.527 0.000 0.000 0.355 292 F C 0.598 176.408 175.800 0.017 0.000 1.115 292 F CA -0.179 57.833 58.000 0.020 0.000 1.010 292 F CB 0.883 39.902 39.000 0.031 0.000 1.234 292 F HN 0.126 nan 8.300 nan 0.000 0.439 293 N N 5.235 123.997 118.700 0.103 0.000 2.696 293 N HA 0.266 5.006 4.740 0.000 0.000 0.308 293 N C -1.021 174.525 175.510 0.060 0.000 1.915 293 N CA -0.073 53.024 53.050 0.078 0.000 0.906 293 N CB 1.153 39.664 38.487 0.039 0.000 1.284 293 N HN 0.456 nan 8.380 nan 0.000 0.488 294 L N 0.697 121.975 121.223 0.090 0.000 2.312 294 L HA 0.528 4.868 4.340 0.000 0.000 0.281 294 L C -0.013 176.901 176.870 0.073 0.000 1.070 294 L CA -0.713 54.168 54.840 0.068 0.000 0.805 294 L CB 1.640 43.748 42.059 0.082 0.000 1.174 294 L HN -0.173 nan 8.230 nan 0.000 0.434 295 V N 4.870 124.819 119.914 0.059 0.000 2.398 295 V HA 0.310 4.431 4.120 0.000 0.000 0.282 295 V C -0.327 175.804 176.094 0.062 0.000 1.014 295 V CA -0.376 61.971 62.300 0.078 0.000 0.838 295 V CB 1.660 33.527 31.823 0.073 0.000 1.018 295 V HN 0.430 nan 8.190 nan 0.000 0.432 296 I N 8.774 129.384 120.570 0.067 0.000 2.312 296 I HA 0.400 4.570 4.170 0.000 0.000 0.291 296 I C -1.755 174.399 176.117 0.062 0.000 1.031 296 I CA -2.080 59.249 61.300 0.050 0.000 1.293 296 I CB 1.244 39.266 38.000 0.037 0.000 1.403 296 I HN 0.392 nan 8.210 nan 0.000 0.484 297 P HA 0.147 nan 4.420 nan 0.000 0.274 297 P C 0.363 177.686 177.300 0.038 0.000 1.246 297 P CA -0.257 62.867 63.100 0.041 0.000 0.795 297 P CB 0.769 32.483 31.700 0.024 0.000 1.006 298 T N 0.180 114.756 114.554 0.037 0.000 2.777 298 T HA -0.122 4.228 4.350 0.000 0.000 0.266 298 T C 1.617 176.329 174.700 0.019 0.000 1.040 298 T CA 1.756 63.875 62.100 0.032 0.000 1.141 298 T CB -0.867 68.022 68.868 0.035 0.000 0.868 298 T HN 0.609 nan 8.240 nan 0.000 0.444 299 N N 1.815 120.526 118.700 0.017 0.000 2.453 299 N HA -0.136 4.604 4.740 0.000 0.000 0.183 299 N C 1.391 176.908 175.510 0.012 0.000 1.041 299 N CA 0.902 53.961 53.050 0.015 0.000 0.900 299 N CB -0.281 38.215 38.487 0.015 0.000 0.961 299 N HN 0.473 nan 8.380 nan 0.000 0.443 300 E N 0.153 120.359 120.200 0.010 0.000 2.285 300 E HA 0.140 4.490 4.350 0.000 0.000 0.194 300 E C 0.142 176.740 176.600 -0.003 0.000 0.997 300 E CA 0.100 56.504 56.400 0.006 0.000 0.845 300 E CB 0.171 29.875 29.700 0.007 0.000 0.782 300 E HN 0.438 nan 8.360 nan 0.000 0.491 301 I N 2.134 122.700 120.570 -0.007 0.000 2.308 301 I HA -0.023 4.147 4.170 0.000 0.000 0.293 301 I C 1.468 177.557 176.117 -0.047 0.000 1.078 301 I CA -0.065 61.218 61.300 -0.027 0.000 1.292 301 I CB 1.093 39.079 38.000 -0.023 0.000 1.423 301 I HN 0.025 nan 8.210 nan 0.000 0.493 302 T N 1.797 116.306 114.554 -0.075 0.000 3.067 302 T HA 0.031 4.381 4.350 0.000 0.000 0.257 302 T C 0.477 175.011 174.700 -0.276 0.000 1.105 302 T CA 0.196 62.237 62.100 -0.098 0.000 1.104 302 T CB 0.027 68.858 68.868 -0.061 0.000 0.925 302 T HN 0.727 nan 8.240 nan 0.000 0.498 303 Q N -0.340 119.250 119.800 -0.350 0.000 2.578 303 Q HA 0.523 4.863 4.340 0.000 0.000 0.284 303 Q C -3.490 172.380 176.000 -0.216 0.000 0.960 303 Q CA -2.396 53.077 55.803 -0.550 0.000 0.809 303 Q CB 0.791 28.752 28.738 -1.295 0.000 1.462 303 Q HN -0.113 nan 8.270 nan 0.000 0.392 304 P HA 0.011 nan 4.420 nan 0.000 0.261 304 P C -0.789 176.538 177.300 0.045 0.000 1.173 304 P CA 0.544 63.661 63.100 0.030 0.000 0.760 304 P CB 0.324 32.129 31.700 0.173 0.000 0.783 305 I N 2.523 123.112 120.570 0.032 0.000 2.428 305 I HA 0.091 4.261 4.170 0.000 0.000 0.289 305 I C 1.275 177.429 176.117 0.062 0.000 1.019 305 I CA 0.283 61.603 61.300 0.034 0.000 1.351 305 I CB 1.005 39.014 38.000 0.014 0.000 1.412 305 I HN 0.355 nan 8.210 nan 0.000 0.513 306 T N 2.285 116.877 114.554 0.063 0.000 2.978 306 T HA 0.110 4.461 4.350 0.000 0.000 0.248 306 T C 0.245 174.954 174.700 0.016 0.000 1.018 306 T CA 0.105 62.248 62.100 0.072 0.000 1.026 306 T CB 0.317 69.255 68.868 0.117 0.000 1.032 306 T HN 0.766 nan 8.240 nan 0.000 0.485 307 S N 0.276 115.974 115.700 -0.003 0.000 2.570 307 S HA 0.736 5.206 4.470 0.000 0.000 0.270 307 S C -1.460 173.131 174.600 -0.014 0.000 1.149 307 S CA -0.973 57.213 58.200 -0.024 0.000 0.837 307 S CB 1.963 65.153 63.200 -0.018 0.000 1.124 307 S HN 0.286 nan 8.310 nan 0.000 0.465 308 I N 1.467 122.033 120.570 -0.007 0.000 2.498 308 I HA 0.667 4.837 4.170 0.000 0.000 0.290 308 I C -1.340 174.767 176.117 -0.017 0.000 1.032 308 I CA -0.680 60.630 61.300 0.018 0.000 1.073 308 I CB 1.712 39.739 38.000 0.045 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.426 309 K N 6.379 126.727 120.400 -0.087 0.000 2.482 309 K HA 0.648 4.968 4.320 0.000 0.000 0.257 309 K C -2.090 174.323 176.600 -0.312 0.000 0.969 309 K CA -0.961 55.137 56.287 -0.314 0.000 0.842 309 K CB 2.532 34.923 32.500 -0.182 0.000 1.359 309 K HN 0.436 nan 8.250 nan 0.000 0.441 310 L N 1.106 121.959 121.223 -0.617 0.000 2.349 310 L HA 0.438 4.778 4.340 0.000 0.000 0.278 310 L C -1.238 175.564 176.870 -0.113 0.000 0.996 310 L CA -0.052 54.610 54.840 -0.297 0.000 0.825 310 L CB 1.766 43.626 42.059 -0.332 0.000 1.243 310 L HN 0.792 nan 8.230 nan 0.000 0.412 311 E N 5.375 125.611 120.200 0.059 0.000 2.179 311 E HA 0.556 4.906 4.350 0.000 0.000 0.275 311 E C -1.138 175.503 176.600 0.068 0.000 0.945 311 E CA -0.517 55.935 56.400 0.086 0.000 0.792 311 E CB 2.181 31.991 29.700 0.184 0.000 1.125 311 E HN 0.539 nan 8.360 nan 0.000 0.397 312 I N 2.899 123.507 120.570 0.064 0.000 2.418 312 I HA 0.275 4.445 4.170 0.000 0.000 0.287 312 I C -0.750 175.376 176.117 0.014 0.000 1.008 312 I CA -0.996 60.320 61.300 0.026 0.000 1.104 312 I CB 1.770 39.807 38.000 0.061 0.000 1.264 312 I HN 0.166 nan 8.210 nan 0.000 0.438 313 V N 4.804 124.704 119.914 -0.024 0.000 2.370 313 V HA 0.375 4.495 4.120 0.000 0.000 0.283 313 V C 0.099 176.184 176.094 -0.015 0.000 1.023 313 V CA -0.371 61.928 62.300 -0.001 0.000 0.857 313 V CB 1.525 33.348 31.823 -0.000 0.000 0.985 313 V HN 0.723 nan 8.190 nan 0.000 0.443 314 T N 3.841 118.431 114.554 0.059 0.000 2.788 314 T HA 0.551 4.901 4.350 0.000 0.000 0.296 314 T C 0.006 174.799 174.700 0.154 0.000 1.009 314 T CA -0.476 61.702 62.100 0.130 0.000 0.949 314 T CB 1.033 70.095 68.868 0.324 0.000 0.946 314 T HN 0.844 nan 8.240 nan 0.000 0.453 315 S N 2.739 118.512 115.700 0.122 0.000 2.568 315 S HA 0.740 5.210 4.470 0.000 0.000 0.293 315 S C -0.889 173.828 174.600 0.195 0.000 1.089 315 S CA -1.121 57.171 58.200 0.154 0.000 0.945 315 S CB 2.328 65.585 63.200 0.096 0.000 1.077 315 S HN 0.597 nan 8.310 nan 0.000 0.485 316 K N 0.517 121.102 120.400 0.308 0.000 2.207 316 K HA 0.542 4.862 4.320 0.000 0.000 0.255 316 K C 0.645 177.329 176.600 0.140 0.000 0.941 316 K CA -0.687 55.724 56.287 0.206 0.000 0.825 316 K CB 1.516 34.113 32.500 0.161 0.000 1.119 316 K HN 0.632 nan 8.250 nan 0.000 0.430 317 S N 1.416 117.153 115.700 0.061 0.000 2.355 317 S HA -0.095 4.376 4.470 0.000 0.000 0.222 317 S C 1.405 175.998 174.600 -0.012 0.000 1.031 317 S CA 1.374 59.595 58.200 0.034 0.000 0.993 317 S CB -0.154 63.060 63.200 0.022 0.000 0.859 317 S HN 0.865 nan 8.310 nan 0.000 0.453 318 G N 0.456 109.213 108.800 -0.072 0.000 2.629 318 G HA2 0.427 4.387 3.960 0.000 0.000 0.213 318 G HA3 0.427 4.387 3.960 0.000 0.000 0.213 318 G C 0.552 175.272 174.900 -0.299 0.000 1.425 318 G CA 0.322 45.345 45.100 -0.129 0.000 0.929 318 G HN 1.129 nan 8.290 nan 0.000 0.527 319 G N -1.650 106.833 108.800 -0.529 0.000 3.019 319 G HA2 0.161 4.121 3.960 0.000 0.000 0.686 319 G HA3 0.161 4.121 3.960 0.000 0.000 0.686 319 G C -0.466 174.071 174.900 -0.605 0.000 1.056 319 G CA 0.214 44.587 45.100 -1.211 0.000 0.774 319 G HN 0.637 nan 8.290 nan 0.000 0.583 320 Q N 0.209 119.754 119.800 -0.426 0.000 3.042 320 Q HA 0.790 5.130 4.340 0.000 0.000 0.293 320 Q C 1.910 177.963 176.000 0.089 0.000 1.017 320 Q CA 0.434 56.183 55.803 -0.090 0.000 0.647 320 Q CB 0.160 28.857 28.738 -0.068 0.000 3.832 320 Q HN 1.295 nan 8.270 nan 0.000 0.295 321 A N -0.269 122.594 122.820 0.073 0.000 1.909 321 A HA 0.420 4.740 4.320 0.000 0.000 0.209 321 A C 0.772 178.419 177.584 0.104 0.000 1.247 321 A CA 1.207 53.304 52.037 0.099 0.000 0.660 321 A CB -0.000 19.032 19.000 0.054 0.000 0.910 321 A HN 0.423 nan 8.150 nan 0.000 0.465 322 G N -0.116 108.723 108.800 0.065 0.000 3.405 322 G HA2 0.477 4.437 3.960 0.000 0.000 0.318 322 G HA3 0.477 4.437 3.960 0.000 0.000 0.318 322 G C -0.917 174.007 174.900 0.039 0.000 1.597 322 G CA -0.110 45.023 45.100 0.055 0.000 1.022 322 G HN 0.077 nan 8.290 nan 0.000 0.506 323 D N 0.774 121.210 120.400 0.059 0.000 2.389 323 D HA 0.039 4.679 4.640 0.000 0.000 0.206 323 D C 0.378 176.700 176.300 0.037 0.000 1.055 323 D CA 0.340 54.359 54.000 0.032 0.000 0.856 323 D CB 0.472 41.273 40.800 0.002 0.000 0.957 323 D HN 0.337 nan 8.370 nan 0.000 0.509 324 Q N 0.445 120.269 119.800 0.041 0.000 2.588 324 Q HA -0.170 4.170 4.340 0.000 0.000 0.234 324 Q C -0.396 175.612 176.000 0.015 0.000 1.382 324 Q CA 0.722 56.523 55.803 -0.003 0.000 0.700 324 Q CB -1.169 27.552 28.738 -0.029 0.000 0.808 324 Q HN 0.405 nan 8.270 nan 0.000 0.310 325 M N 1.695 121.312 119.600 0.028 0.000 2.277 325 M HA 0.528 5.008 4.480 0.000 0.000 0.350 325 M C 0.337 176.641 176.300 0.006 0.000 1.180 325 M CA -0.215 55.149 55.300 0.107 0.000 1.103 325 M CB 1.930 34.686 32.600 0.259 0.000 1.577 325 M HN 0.614 nan 8.290 nan 0.000 0.459 326 S N 2.480 118.241 115.700 0.102 0.000 2.535 326 S HA 0.789 5.259 4.470 0.000 0.000 0.272 326 S C -1.708 173.036 174.600 0.241 0.000 1.149 326 S CA -1.023 57.187 58.200 0.017 0.000 0.888 326 S CB 1.422 64.570 63.200 -0.088 0.000 1.110 326 S HN 0.963 nan 8.310 nan 0.000 0.463 327 W N 0.186 121.663 121.300 0.295 0.000 3.074 327 W HA 0.765 5.425 4.660 0.000 0.000 0.332 327 W C -1.421 175.238 176.519 0.234 0.000 1.253 327 W CA -0.861 56.638 57.345 0.256 0.000 1.180 327 W CB 1.250 30.894 29.460 0.306 0.000 1.445 327 W HN 0.800 nan 8.180 nan 0.000 0.573 328 S N 1.049 117.143 115.700 0.656 0.000 2.552 328 S HA 0.731 5.201 4.470 0.000 0.000 0.314 328 S C -0.739 174.104 174.600 0.405 0.000 1.099 328 S CA -0.203 58.261 58.200 0.440 0.000 1.070 328 S CB 0.706 64.031 63.200 0.208 0.000 0.998 328 S HN 0.794 nan 8.310 nan 0.000 0.474 329 A N 4.398 127.445 122.820 0.379 0.000 2.320 329 A HA 0.942 5.262 4.320 0.000 0.000 0.334 329 A C -0.290 177.287 177.584 -0.012 0.000 1.147 329 A CA -0.763 51.231 52.037 -0.072 0.000 0.820 329 A CB 1.143 20.017 19.000 -0.210 0.000 1.218 329 A HN 0.716 nan 8.150 nan 0.000 0.482 330 R N 0.682 121.101 120.500 -0.135 0.000 2.523 330 R HA 0.573 4.913 4.340 0.000 0.000 0.278 330 R C -0.843 175.397 176.300 -0.100 0.000 1.150 330 R CA 0.447 56.510 56.100 -0.062 0.000 0.987 330 R CB 1.453 31.740 30.300 -0.022 0.000 1.232 330 R HN 1.941 nan 8.270 nan 0.000 0.424 331 G N 0.908 109.655 108.800 -0.088 0.000 2.340 331 G HA2 0.262 4.223 3.960 0.000 0.000 0.300 331 G HA3 0.262 4.223 3.960 0.000 0.000 0.300 331 G C -1.767 173.057 174.900 -0.126 0.000 1.488 331 G CA -0.509 44.534 45.100 -0.095 0.000 0.878 331 G HN 0.424 nan 8.290 nan 0.000 0.618 332 S N -0.637 114.983 115.700 -0.133 0.000 2.542 332 S HA 0.830 5.300 4.470 0.000 0.000 0.293 332 S C -0.259 174.211 174.600 -0.217 0.000 1.089 332 S CA -0.676 57.418 58.200 -0.176 0.000 0.961 332 S CB 1.535 64.659 63.200 -0.127 0.000 1.062 332 S HN 0.618 nan 8.310 nan 0.000 0.483 333 L N 1.405 122.458 121.223 -0.282 0.000 2.319 333 L HA 0.898 5.238 4.340 0.000 0.000 0.267 333 L C -0.309 176.456 176.870 -0.176 0.000 1.011 333 L CA -1.046 53.614 54.840 -0.300 0.000 0.818 333 L CB 1.684 43.478 42.059 -0.442 0.000 1.316 333 L HN 0.734 nan 8.230 nan 0.000 0.432 334 A N 1.768 124.520 122.820 -0.113 0.000 2.410 334 A HA 0.643 4.963 4.320 0.000 0.000 0.289 334 A C -0.873 176.707 177.584 -0.006 0.000 1.200 334 A CA -0.418 51.592 52.037 -0.044 0.000 0.751 334 A CB 1.081 20.064 19.000 -0.027 0.000 1.161 334 A HN 0.341 nan 8.150 nan 0.000 0.459 335 V N 2.576 122.510 119.914 0.034 0.000 2.406 335 V HA 0.458 4.578 4.120 0.000 0.000 0.272 335 V C 0.181 176.326 176.094 0.086 0.000 1.043 335 V CA 0.029 62.368 62.300 0.065 0.000 0.915 335 V CB 1.241 33.115 31.823 0.086 0.000 0.988 335 V HN 0.821 nan 8.190 nan 0.000 0.466 336 T N 6.659 121.214 114.554 0.001 0.000 2.912 336 T HA 0.437 4.787 4.350 0.000 0.000 0.326 336 T C -0.156 174.415 174.700 -0.216 0.000 1.080 336 T CA -0.258 61.799 62.100 -0.072 0.000 1.000 336 T CB 0.528 69.341 68.868 -0.092 0.000 1.008 336 T HN 0.569 nan 8.240 nan 0.000 0.473 337 I N 1.222 121.729 120.570 -0.104 0.000 2.312 337 I HA 0.350 4.520 4.170 0.000 0.000 0.291 337 I C 0.101 176.137 176.117 -0.134 0.000 1.031 337 I CA -0.705 60.515 61.300 -0.133 0.000 1.293 337 I CB -0.025 37.998 38.000 0.037 0.000 1.403 337 I HN 0.550 nan 8.210 nan 0.000 0.484 338 H N 5.515 124.614 119.070 0.048 0.000 3.070 338 H HA 0.084 4.640 4.556 0.000 0.000 0.313 338 H C 1.520 176.864 175.328 0.027 0.000 0.997 338 H CA 1.154 57.221 56.048 0.031 0.000 1.438 338 H CB 0.369 30.143 29.762 0.020 0.000 1.455 338 H HN 1.019 nan 8.280 nan 0.000 0.575 339 G N 2.700 111.581 108.800 0.134 0.000 2.203 339 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 339 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 339 G C 1.461 176.417 174.900 0.094 0.000 1.012 339 G CA 0.750 45.900 45.100 0.084 0.000 0.749 339 G HN 0.883 nan 8.290 nan 0.000 0.512 340 G N 0.127 108.974 108.800 0.079 0.000 2.408 340 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 340 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 340 G C 1.329 176.272 174.900 0.072 0.000 1.150 340 G CA 1.147 46.292 45.100 0.075 0.000 0.776 340 G HN 0.499 nan 8.290 nan 0.000 0.542 341 N N -0.574 118.159 118.700 0.054 0.000 2.398 341 N HA 0.039 4.779 4.740 0.000 0.000 0.188 341 N C -0.277 175.268 175.510 0.058 0.000 1.122 341 N CA -0.349 52.719 53.050 0.030 0.000 0.866 341 N CB -0.075 38.405 38.487 -0.012 0.000 0.970 341 N HN 0.425 nan 8.380 nan 0.000 0.462 342 Y N 2.844 123.133 120.300 -0.018 0.000 2.569 342 Y HA 0.142 4.692 4.550 0.000 0.000 0.332 342 Y C -2.087 173.795 175.900 -0.030 0.000 1.120 342 Y CA -2.035 56.049 58.100 -0.027 0.000 1.416 342 Y CB 0.500 38.938 38.460 -0.037 0.000 1.210 342 Y HN -0.028 nan 8.280 nan 0.000 0.528 343 P HA 0.050 nan 4.420 nan 0.000 0.256 343 P C 0.503 177.714 177.300 -0.149 0.000 1.173 343 P CA 2.138 65.073 63.100 -0.275 0.000 0.768 343 P CB 0.252 31.739 31.700 -0.355 0.000 0.758 344 G N 3.471 112.285 108.800 0.023 0.000 2.284 344 G HA2 -0.295 3.665 3.960 0.000 0.000 0.216 344 G HA3 -0.295 3.665 3.960 0.000 0.000 0.216 344 G C 1.186 176.222 174.900 0.227 0.000 1.009 344 G CA 0.276 45.454 45.100 0.130 0.000 0.625 344 G HN 0.609 nan 8.290 nan 0.000 0.501 345 A N -0.325 122.618 122.820 0.205 0.000 2.015 345 A HA 0.568 4.888 4.320 0.000 0.000 0.219 345 A C 2.154 179.892 177.584 0.257 0.000 1.163 345 A CA 2.033 54.181 52.037 0.184 0.000 0.646 345 A CB -0.169 18.895 19.000 0.108 0.000 0.806 345 A HN 1.010 nan 8.150 nan 0.000 0.448 346 L N -4.182 117.163 121.223 0.202 0.000 3.122 346 L HA 0.153 4.494 4.340 0.000 0.000 0.296 346 L C 1.934 178.932 176.870 0.212 0.000 1.040 346 L CA 0.155 55.108 54.840 0.188 0.000 1.164 346 L CB -0.094 42.050 42.059 0.143 0.000 1.990 346 L HN 0.238 nan 8.230 nan 0.000 0.579 347 R N 2.285 122.871 120.500 0.143 0.000 2.256 347 R HA -0.061 4.280 4.340 0.000 0.000 0.216 347 R C -1.687 174.665 176.300 0.088 0.000 1.080 347 R CA 1.518 57.666 56.100 0.079 0.000 0.848 347 R CB -1.357 28.949 30.300 0.010 0.000 0.794 347 R HN 0.071 nan 8.270 nan 0.000 0.438 348 P HA 0.092 nan 4.420 nan 0.000 0.276 348 P C -1.270 176.132 177.300 0.170 0.000 1.230 348 P CA 0.322 63.467 63.100 0.075 0.000 0.776 348 P CB 1.380 33.106 31.700 0.043 0.000 0.888 349 V N 3.937 123.941 119.914 0.150 0.000 2.569 349 V HA 0.291 4.411 4.120 0.000 0.000 0.301 349 V C 0.116 176.258 176.094 0.080 0.000 1.044 349 V CA -0.272 62.099 62.300 0.118 0.000 0.874 349 V CB 2.187 34.096 31.823 0.143 0.000 1.002 349 V HN 0.505 nan 8.190 nan 0.000 0.424 350 T N 6.520 121.100 114.554 0.044 0.000 2.771 350 T HA 0.694 5.044 4.350 0.000 0.000 0.281 350 T C -0.547 174.187 174.700 0.056 0.000 0.982 350 T CA -0.283 61.859 62.100 0.070 0.000 0.978 350 T CB 0.976 69.900 68.868 0.093 0.000 0.930 350 T HN 0.253 nan 8.240 nan 0.000 0.447 351 L N 3.701 124.934 121.223 0.016 0.000 2.307 351 L HA 0.610 4.950 4.340 0.000 0.000 0.284 351 L C -0.361 176.531 176.870 0.037 0.000 1.023 351 L CA -0.632 54.189 54.840 -0.032 0.000 0.810 351 L CB 1.784 43.780 42.059 -0.104 0.000 1.231 351 L HN 0.360 nan 8.230 nan 0.000 0.423 352 V N 2.827 122.780 119.914 0.066 0.000 2.349 352 V HA 0.785 4.905 4.120 0.000 0.000 0.284 352 V C 0.049 176.229 176.094 0.144 0.000 1.014 352 V CA -0.587 61.795 62.300 0.137 0.000 0.826 352 V CB 1.238 33.211 31.823 0.249 0.000 1.009 352 V HN 0.845 nan 8.190 nan 0.000 0.431 353 A N 5.374 128.276 122.820 0.137 0.000 2.325 353 A HA 0.975 5.295 4.320 0.000 0.000 0.333 353 A C -1.035 176.776 177.584 0.378 0.000 1.155 353 A CA -0.508 51.637 52.037 0.180 0.000 0.814 353 A CB 1.189 20.290 19.000 0.168 0.000 1.206 353 A HN 1.061 nan 8.150 nan 0.000 0.482 354 Y N -0.437 120.058 120.300 0.326 0.000 2.512 354 Y HA 0.775 5.325 4.550 0.000 0.000 0.348 354 Y C -0.519 175.414 175.900 0.055 0.000 0.990 354 Y CA -0.979 57.267 58.100 0.244 0.000 1.033 354 Y CB 1.285 39.835 38.460 0.150 0.000 1.259 354 Y HN 0.897 nan 8.280 nan 0.000 0.461 355 E N 1.063 121.272 120.200 0.015 0.000 2.445 355 E HA 0.597 4.947 4.350 0.000 0.000 0.279 355 E C -0.464 176.089 176.600 -0.077 0.000 1.018 355 E CA -1.290 55.009 56.400 -0.168 0.000 0.816 355 E CB 1.507 30.861 29.700 -0.576 0.000 1.356 355 E HN 0.546 nan 8.360 nan 0.000 0.462 356 R N -1.162 119.299 120.500 -0.064 0.000 3.994 356 R HA -0.108 4.232 4.340 0.000 0.000 0.403 356 R C -0.364 175.947 176.300 0.018 0.000 1.126 356 R CA 0.912 56.992 56.100 -0.032 0.000 1.143 356 R CB -2.730 27.537 30.300 -0.055 0.000 1.695 356 R HN 0.488 nan 8.270 nan 0.000 0.555 357 V N 1.452 121.407 119.914 0.069 0.000 2.686 357 V HA 0.435 4.555 4.120 0.000 0.000 0.295 357 V C 1.478 177.598 176.094 0.043 0.000 1.055 357 V CA -0.014 62.322 62.300 0.060 0.000 1.050 357 V CB 1.512 33.377 31.823 0.071 0.000 0.984 357 V HN 0.367 nan 8.190 nan 0.000 0.482 358 A N 3.699 126.531 122.820 0.020 0.000 2.531 358 A HA 0.299 4.619 4.320 0.000 0.000 0.236 358 A C 0.716 178.313 177.584 0.022 0.000 1.062 358 A CA 0.056 52.103 52.037 0.016 0.000 0.760 358 A CB -0.304 18.700 19.000 0.007 0.000 0.995 358 A HN 0.867 nan 8.150 nan 0.000 0.501 359 T N 1.774 116.341 114.554 0.023 0.000 2.834 359 T HA 0.459 4.810 4.350 0.000 0.000 0.298 359 T C 1.451 176.163 174.700 0.019 0.000 0.966 359 T CA 1.216 63.332 62.100 0.028 0.000 1.141 359 T CB 0.648 69.529 68.868 0.021 0.000 0.905 359 T HN 1.992 nan 8.240 nan 0.000 0.535 360 G N 2.912 111.726 108.800 0.023 0.000 2.194 360 G HA2 -0.274 3.686 3.960 0.000 0.000 0.236 360 G HA3 -0.274 3.686 3.960 0.000 0.000 0.236 360 G C 0.424 175.327 174.900 0.005 0.000 0.987 360 G CA 0.034 45.142 45.100 0.015 0.000 0.635 360 G HN 1.069 nan 8.290 nan 0.000 0.520 361 S N -0.727 114.972 115.700 -0.001 0.000 2.624 361 S HA 0.707 5.177 4.470 0.000 0.000 0.263 361 S C 0.188 174.768 174.600 -0.033 0.000 1.287 361 S CA -0.160 58.030 58.200 -0.017 0.000 0.990 361 S CB 2.379 65.565 63.200 -0.024 0.000 0.950 361 S HN 1.019 nan 8.310 nan 0.000 0.561 362 V N 1.467 121.355 119.914 -0.042 0.000 2.398 362 V HA 0.402 4.522 4.120 0.000 0.000 0.286 362 V C -0.409 175.630 176.094 -0.092 0.000 1.026 362 V CA -0.771 61.496 62.300 -0.055 0.000 0.868 362 V CB 1.426 33.230 31.823 -0.032 0.000 0.982 362 V HN 0.768 nan 8.190 nan 0.000 0.443 363 V N 4.400 124.229 119.914 -0.141 0.000 2.311 363 V HA 0.313 4.433 4.120 0.000 0.000 0.275 363 V C 0.401 176.423 176.094 -0.120 0.000 1.022 363 V CA -0.198 61.987 62.300 -0.193 0.000 0.830 363 V CB 1.595 33.187 31.823 -0.385 0.000 1.012 363 V HN 0.979 nan 8.190 nan 0.000 0.452 364 T N 5.026 119.542 114.554 -0.062 0.000 2.806 364 T HA 0.513 4.863 4.350 0.000 0.000 0.290 364 T C -0.135 174.579 174.700 0.023 0.000 0.966 364 T CA -0.285 61.808 62.100 -0.012 0.000 1.060 364 T CB 1.491 70.358 68.868 -0.001 0.000 0.927 364 T HN 0.312 nan 8.240 nan 0.000 0.485 365 V N 2.583 122.541 119.914 0.073 0.000 2.417 365 V HA 0.800 4.920 4.120 0.000 0.000 0.291 365 V C -0.063 176.113 176.094 0.136 0.000 1.024 365 V CA -0.790 61.590 62.300 0.134 0.000 0.861 365 V CB 1.267 33.213 31.823 0.205 0.000 0.985 365 V HN 1.095 nan 8.190 nan 0.000 0.436 366 A N 3.584 126.461 122.820 0.095 0.000 2.408 366 A HA 0.977 5.297 4.320 0.000 0.000 0.295 366 A C -0.160 177.447 177.584 0.038 0.000 1.040 366 A CA 0.063 52.141 52.037 0.068 0.000 0.707 366 A CB 1.858 20.881 19.000 0.038 0.000 1.235 366 A HN 1.232 nan 8.150 nan 0.000 0.418 367 G N -0.359 108.468 108.800 0.046 0.000 2.649 367 G HA2 0.652 4.612 3.960 0.000 0.000 0.290 367 G HA3 0.652 4.612 3.960 0.000 0.000 0.290 367 G C -1.803 173.111 174.900 0.024 0.000 1.426 367 G CA -0.482 44.622 45.100 0.005 0.000 0.794 367 G HN 1.207 nan 8.290 nan 0.000 0.483 368 V N 0.048 119.960 119.914 -0.003 0.000 2.709 368 V HA 0.737 4.857 4.120 0.000 0.000 0.308 368 V C -0.423 175.650 176.094 -0.034 0.000 1.062 368 V CA -0.766 61.537 62.300 0.006 0.000 0.901 368 V CB 2.046 33.868 31.823 -0.001 0.000 1.003 368 V HN 0.807 nan 8.190 nan 0.000 0.425 369 S N 3.779 119.458 115.700 -0.035 0.000 2.561 369 S HA 0.546 5.016 4.470 0.000 0.000 0.303 369 S C -0.758 173.579 174.600 -0.437 0.000 1.110 369 S CA -0.868 57.198 58.200 -0.223 0.000 1.034 369 S CB 1.145 64.295 63.200 -0.082 0.000 1.010 369 S HN 0.740 nan 8.310 nan 0.000 0.482 370 N N 2.227 120.586 118.700 -0.568 0.000 2.421 370 N HA 0.630 5.370 4.740 0.000 0.000 0.285 370 N C -1.269 173.838 175.510 -0.671 0.000 1.027 370 N CA -0.163 52.630 53.050 -0.428 0.000 0.918 370 N CB 1.080 39.465 38.487 -0.169 0.000 1.152 370 N HN 0.400 nan 8.380 nan 0.000 0.485 371 F N -0.260 119.703 119.950 0.022 0.000 2.620 371 F HA 0.398 4.925 4.527 0.000 0.000 0.320 371 F C 0.493 176.296 175.800 0.006 0.000 1.069 371 F CA -0.933 57.063 58.000 -0.006 0.000 0.953 371 F CB 1.615 40.583 39.000 -0.053 0.000 1.322 371 F HN 0.129 nan 8.300 nan 0.000 0.479 372 E N 2.157 122.470 120.200 0.190 0.000 2.129 372 E HA 0.594 4.944 4.350 0.000 0.000 0.268 372 E C -1.291 175.426 176.600 0.195 0.000 0.900 372 E CA -0.413 56.075 56.400 0.147 0.000 0.755 372 E CB 1.856 31.453 29.700 -0.172 0.000 1.117 372 E HN 0.407 nan 8.360 nan 0.000 0.410 373 L N 2.876 124.237 121.223 0.231 0.000 2.323 373 L HA 0.576 4.916 4.340 0.000 0.000 0.265 373 L C -0.631 176.425 176.870 0.309 0.000 1.012 373 L CA -1.173 53.757 54.840 0.150 0.000 0.820 373 L CB 1.677 43.505 42.059 -0.384 0.000 1.334 373 L HN 0.392 nan 8.230 nan 0.000 0.427 374 I N 2.914 123.698 120.570 0.356 0.000 2.439 374 I HA 0.322 4.492 4.170 0.000 0.000 0.283 374 I C -2.272 174.082 176.117 0.395 0.000 1.023 374 I CA -2.309 59.182 61.300 0.319 0.000 1.100 374 I CB 1.432 39.585 38.000 0.254 0.000 1.238 374 I HN 0.258 nan 8.210 nan 0.000 0.445 375 P HA 0.046 nan 4.420 nan 0.000 0.270 375 P C -0.528 176.804 177.300 0.053 0.000 1.223 375 P CA -0.242 62.934 63.100 0.127 0.000 0.785 375 P CB 0.652 32.371 31.700 0.031 0.000 0.923 376 N N 1.790 120.460 118.700 -0.050 0.000 2.424 376 N HA 0.129 4.869 4.740 0.000 0.000 0.257 376 N C -1.968 173.527 175.510 -0.025 0.000 1.250 376 N CA -1.817 51.217 53.050 -0.027 0.000 0.946 376 N CB -1.416 37.033 38.487 -0.063 0.000 1.175 376 N HN 0.166 nan 8.380 nan 0.000 0.477 377 P HA -0.245 nan 4.420 nan 0.000 0.218 377 P C 1.016 178.302 177.300 -0.022 0.000 1.154 377 P CA 1.722 64.816 63.100 -0.010 0.000 0.872 377 P CB 0.180 31.875 31.700 -0.007 0.000 0.790 378 E N -1.002 119.177 120.200 -0.036 0.000 2.047 378 E HA -0.131 4.219 4.350 0.000 0.000 0.191 378 E C 1.779 178.350 176.600 -0.049 0.000 0.987 378 E CA 0.858 57.235 56.400 -0.040 0.000 0.799 378 E CB -1.089 28.584 29.700 -0.045 0.000 0.752 378 E HN 0.034 nan 8.360 nan 0.000 0.449 379 L N -0.106 121.071 121.223 -0.077 0.000 2.240 379 L HA 0.156 4.497 4.340 0.000 0.000 0.211 379 L C 1.955 178.793 176.870 -0.054 0.000 1.106 379 L CA 1.494 56.278 54.840 -0.093 0.000 0.793 379 L CB -0.548 41.396 42.059 -0.191 0.000 0.927 379 L HN 0.173 nan 8.230 nan 0.000 0.446 380 A N -0.940 121.858 122.820 -0.036 0.000 2.178 380 A HA -0.177 4.143 4.320 0.000 0.000 0.218 380 A C 2.149 179.728 177.584 -0.009 0.000 1.157 380 A CA 1.288 53.319 52.037 -0.009 0.000 0.689 380 A CB -0.517 18.484 19.000 0.001 0.000 0.787 380 A HN 0.491 nan 8.150 nan 0.000 0.465 381 K N -0.576 119.815 120.400 -0.015 0.000 2.366 381 K HA 0.025 4.345 4.320 0.000 0.000 0.198 381 K C 0.430 177.025 176.600 -0.007 0.000 1.044 381 K CA 0.865 57.145 56.287 -0.011 0.000 0.973 381 K CB 0.077 32.570 32.500 -0.013 0.000 0.767 381 K HN 0.396 nan 8.250 nan 0.000 0.475 382 N N -0.283 118.412 118.700 -0.008 0.000 2.118 382 N HA 0.036 4.776 4.740 0.000 0.000 0.226 382 N C -0.777 174.737 175.510 0.007 0.000 1.305 382 N CA -0.088 52.961 53.050 -0.002 0.000 0.890 382 N CB 1.018 39.502 38.487 -0.005 0.000 1.118 382 N HN -0.002 nan 8.380 nan 0.000 0.511 383 L N 2.624 123.852 121.223 0.009 0.000 2.265 383 L HA 0.438 4.778 4.340 0.000 0.000 0.289 383 L C -0.371 176.515 176.870 0.026 0.000 1.033 383 L CA -0.430 54.428 54.840 0.031 0.000 0.814 383 L CB 1.350 43.439 42.059 0.050 0.000 1.203 383 L HN -0.273 nan 8.230 nan 0.000 0.423 384 V N 4.029 123.957 119.914 0.023 0.000 2.546 384 V HA 0.447 4.567 4.120 0.000 0.000 0.284 384 V C 0.618 176.710 176.094 -0.004 0.000 1.050 384 V CA -0.468 61.835 62.300 0.006 0.000 0.981 384 V CB 1.621 33.446 31.823 0.004 0.000 0.990 384 V HN 0.908 nan 8.190 nan 0.000 0.474 385 T N 2.039 116.573 114.554 -0.033 0.000 2.885 385 T HA 0.829 5.179 4.350 0.000 0.000 0.285 385 T C -0.720 173.901 174.700 -0.131 0.000 1.019 385 T CA -0.818 61.233 62.100 -0.081 0.000 1.010 385 T CB 2.180 70.999 68.868 -0.082 0.000 1.022 385 T HN 0.707 nan 8.240 nan 0.000 0.466 386 E N 0.326 120.404 120.200 -0.203 0.000 2.449 386 E HA 0.388 4.738 4.350 0.000 0.000 0.278 386 E C -1.382 175.075 176.600 -0.239 0.000 0.992 386 E CA -1.008 55.291 56.400 -0.168 0.000 0.807 386 E CB 1.592 31.254 29.700 -0.064 0.000 1.350 386 E HN 0.629 nan 8.360 nan 0.000 0.462 387 Y N 0.453 120.727 120.300 -0.042 0.000 2.326 387 Y HA 0.325 4.875 4.550 0.000 0.000 0.333 387 Y C 1.359 177.286 175.900 0.044 0.000 1.240 387 Y CA 0.187 58.304 58.100 0.029 0.000 1.365 387 Y CB 0.729 39.217 38.460 0.046 0.000 1.289 387 Y HN 0.636 nan 8.280 nan 0.000 0.548 388 G N 2.746 111.760 108.800 0.356 0.000 2.474 388 G HA2 0.012 3.972 3.960 0.000 0.000 0.233 388 G HA3 0.012 3.972 3.960 0.000 0.000 0.233 388 G C -0.174 174.856 174.900 0.217 0.000 1.278 388 G CA -0.810 44.467 45.100 0.294 0.000 0.861 388 G HN 0.423 nan 8.290 nan 0.000 0.567 389 R N 0.325 120.925 120.500 0.167 0.000 2.489 389 R HA 0.067 4.407 4.340 0.000 0.000 0.287 389 R C -0.406 175.996 176.300 0.171 0.000 1.053 389 R CA -0.422 55.765 56.100 0.146 0.000 1.036 389 R CB 0.489 30.847 30.300 0.097 0.000 0.966 389 R HN 0.417 nan 8.270 nan 0.000 0.432 390 F N 4.592 124.565 119.950 0.038 0.000 2.411 390 F HA 0.187 4.714 4.527 0.000 0.000 0.350 390 F C -0.307 175.502 175.800 0.015 0.000 1.114 390 F CA -1.033 56.980 58.000 0.021 0.000 1.135 390 F CB 0.724 39.729 39.000 0.008 0.000 1.120 390 F HN 0.523 nan 8.300 nan 0.000 0.495 391 D N 7.961 127.861 120.400 -0.833 0.000 2.318 391 D HA 0.167 4.807 4.640 0.000 0.000 0.233 391 D C -3.291 172.594 176.300 -0.691 0.000 1.348 391 D CA -1.352 52.202 54.000 -0.743 0.000 0.983 391 D CB 1.297 41.920 40.800 -0.295 0.000 1.416 391 D HN 0.260 nan 8.370 nan 0.000 0.558 392 P HA 0.220 nan 4.420 nan 0.000 0.267 392 P C 1.048 178.239 177.300 -0.181 0.000 1.200 392 P CA 1.032 63.910 63.100 -0.369 0.000 0.772 392 P CB 0.922 32.502 31.700 -0.199 0.000 0.855 393 G N 1.399 110.155 108.800 -0.074 0.000 2.199 393 G HA2 -0.314 3.646 3.960 0.000 0.000 0.254 393 G HA3 -0.314 3.646 3.960 0.000 0.000 0.254 393 G C 1.048 175.965 174.900 0.028 0.000 0.982 393 G CA 0.674 45.768 45.100 -0.010 0.000 0.632 393 G HN 0.761 nan 8.290 nan 0.000 0.529 394 A N -0.504 122.302 122.820 -0.022 0.000 1.873 394 A HA 0.287 4.607 4.320 0.000 0.000 0.215 394 A C 2.253 179.885 177.584 0.079 0.000 1.186 394 A CA 2.677 54.736 52.037 0.037 0.000 0.616 394 A CB -0.358 18.627 19.000 -0.025 0.000 0.823 394 A HN 1.126 nan 8.150 nan 0.000 0.442 395 M N 0.757 120.348 119.600 -0.016 0.000 2.132 395 M HA -0.082 4.398 4.480 0.000 0.000 0.263 395 M C 1.540 177.869 176.300 0.048 0.000 1.065 395 M CA 1.667 56.943 55.300 -0.039 0.000 1.122 395 M CB -0.882 31.667 32.600 -0.085 0.000 1.365 395 M HN 0.455 nan 8.290 nan 0.000 0.411 396 N N -1.105 117.635 118.700 0.067 0.000 2.120 396 N HA -0.209 4.531 4.740 0.000 0.000 0.188 396 N C 1.768 177.353 175.510 0.125 0.000 1.024 396 N CA 1.655 54.756 53.050 0.084 0.000 0.852 396 N CB -0.457 38.078 38.487 0.080 0.000 1.003 396 N HN 0.451 nan 8.380 nan 0.000 0.424 397 Y N 2.285 122.609 120.300 0.041 0.000 2.242 397 Y HA -0.140 4.410 4.550 0.000 0.000 0.291 397 Y C 2.484 178.437 175.900 0.088 0.000 1.137 397 Y CA 1.339 59.477 58.100 0.063 0.000 1.181 397 Y CB -0.513 37.988 38.460 0.068 0.000 0.989 397 Y HN -0.021 nan 8.280 nan 0.000 0.527 398 T N 0.257 114.918 114.554 0.178 0.000 2.708 398 T HA -0.188 4.162 4.350 0.000 0.000 0.266 398 T C 1.806 176.554 174.700 0.080 0.000 1.037 398 T CA 1.886 64.081 62.100 0.159 0.000 1.146 398 T CB -0.173 68.846 68.868 0.252 0.000 0.865 398 T HN 0.286 nan 8.240 nan 0.000 0.435 399 K N 0.487 120.929 120.400 0.071 0.000 2.097 399 K HA -0.019 4.301 4.320 0.000 0.000 0.206 399 K C 2.206 178.803 176.600 -0.005 0.000 1.049 399 K CA 0.817 57.134 56.287 0.049 0.000 0.933 399 K CB -0.372 32.157 32.500 0.048 0.000 0.717 399 K HN 0.133 nan 8.250 nan 0.000 0.442 400 L N 1.532 122.724 121.223 -0.051 0.000 1.994 400 L HA -0.181 4.159 4.340 0.000 0.000 0.208 400 L C 1.986 178.775 176.870 -0.134 0.000 1.071 400 L CA 1.580 56.359 54.840 -0.101 0.000 0.745 400 L CB -0.377 41.583 42.059 -0.165 0.000 0.892 400 L HN 0.100 nan 8.230 nan 0.000 0.431 401 I N -0.466 119.980 120.570 -0.207 0.000 2.163 401 I HA -0.313 3.858 4.170 0.000 0.000 0.243 401 I C 2.571 178.652 176.117 -0.060 0.000 1.085 401 I CA 1.584 62.790 61.300 -0.157 0.000 1.347 401 I CB -1.141 36.762 38.000 -0.161 0.000 1.044 401 I HN 0.316 nan 8.210 nan 0.000 0.408 402 L N -0.182 121.026 121.223 -0.025 0.000 2.141 402 L HA -0.184 4.156 4.340 0.000 0.000 0.209 402 L C 2.694 179.552 176.870 -0.020 0.000 1.094 402 L CA 1.145 55.982 54.840 -0.005 0.000 0.763 402 L CB -0.514 41.566 42.059 0.034 0.000 0.908 402 L HN 0.234 nan 8.230 nan 0.000 0.437 403 S N -0.290 115.396 115.700 -0.024 0.000 2.383 403 S HA -0.121 4.349 4.470 0.000 0.000 0.227 403 S C 1.486 176.070 174.600 -0.027 0.000 1.026 403 S CA 1.035 59.221 58.200 -0.023 0.000 0.981 403 S CB -0.005 63.183 63.200 -0.021 0.000 0.818 403 S HN 0.360 nan 8.310 nan 0.000 0.472 404 E N 1.115 121.296 120.200 -0.032 0.000 2.423 404 E HA 0.137 4.487 4.350 0.000 0.000 0.198 404 E C 1.418 178.002 176.600 -0.027 0.000 1.038 404 E CA -0.233 56.152 56.400 -0.025 0.000 1.011 404 E CB 0.004 29.693 29.700 -0.018 0.000 1.118 404 E HN 0.495 nan 8.360 nan 0.000 0.451 405 R N 1.355 121.832 120.500 -0.037 0.000 2.094 405 R HA -0.177 4.163 4.340 0.000 0.000 0.239 405 R C 0.875 177.132 176.300 -0.071 0.000 1.137 405 R CA 1.698 57.767 56.100 -0.052 0.000 0.943 405 R CB 0.117 30.379 30.300 -0.062 0.000 0.850 405 R HN 0.066 nan 8.270 nan 0.000 0.433 406 D N 0.050 120.409 120.400 -0.069 0.000 2.178 406 D HA -0.176 4.464 4.640 0.000 0.000 0.202 406 D C 1.935 178.198 176.300 -0.062 0.000 0.974 406 D CA 1.285 55.237 54.000 -0.079 0.000 0.841 406 D CB -0.192 40.568 40.800 -0.068 0.000 0.953 406 D HN 0.459 nan 8.370 nan 0.000 0.478 407 R N 0.512 120.991 120.500 -0.035 0.000 2.299 407 R HA 0.087 4.427 4.340 0.000 0.000 0.197 407 R C 1.685 177.990 176.300 0.007 0.000 0.971 407 R CA 0.351 56.443 56.100 -0.015 0.000 1.030 407 R CB -0.093 30.206 30.300 -0.002 0.000 0.932 407 R HN 0.157 nan 8.270 nan 0.000 0.477 408 L N -0.229 120.998 121.223 0.007 0.000 2.556 408 L HA 0.340 4.680 4.340 0.000 0.000 0.226 408 L C 0.876 177.769 176.870 0.038 0.000 1.089 408 L CA 0.501 55.380 54.840 0.065 0.000 0.864 408 L CB 0.485 42.598 42.059 0.090 0.000 1.067 408 L HN 0.567 nan 8.230 nan 0.000 0.477 409 G N 1.426 110.181 108.800 -0.074 0.000 2.160 409 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 409 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 409 G C 0.167 174.817 174.900 -0.417 0.000 1.022 409 G CA -0.244 44.736 45.100 -0.200 0.000 0.741 409 G HN 0.283 nan 8.290 nan 0.000 0.508 410 I N 1.198 121.581 120.570 -0.311 0.000 2.389 410 I HA 0.187 4.357 4.170 0.000 0.000 0.295 410 I C 0.978 176.801 176.117 -0.489 0.000 1.117 410 I CA 0.181 61.278 61.300 -0.339 0.000 1.317 410 I CB 0.210 38.145 38.000 -0.108 0.000 1.431 410 I HN 0.089 nan 8.210 nan 0.000 0.521 411 K N 3.406 123.164 120.400 -1.069 0.000 2.132 411 K HA 0.403 4.723 4.320 0.000 0.000 0.241 411 K C 1.082 177.400 176.600 -0.471 0.000 1.000 411 K CA -0.553 55.155 56.287 -0.965 0.000 0.911 411 K CB 1.050 32.656 32.500 -1.489 0.000 1.093 411 K HN 0.522 nan 8.250 nan 0.000 0.460 412 T N -3.288 111.086 114.554 -0.299 0.000 3.015 412 T HA 0.088 4.438 4.350 0.000 0.000 0.250 412 T C 0.544 175.228 174.700 -0.026 0.000 1.057 412 T CA -0.243 61.808 62.100 -0.083 0.000 1.066 412 T CB -0.064 68.757 68.868 -0.079 0.000 0.959 412 T HN 0.365 nan 8.240 nan 0.000 0.488 413 V N -1.308 118.537 119.914 -0.115 0.000 2.525 413 V HA 0.812 4.932 4.120 0.000 0.000 0.299 413 V C -1.817 174.266 176.094 -0.020 0.000 1.034 413 V CA -1.628 60.669 62.300 -0.006 0.000 0.863 413 V CB 0.686 32.490 31.823 -0.032 0.000 0.999 413 V HN 0.340 nan 8.190 nan 0.000 0.423 414 W N 3.552 124.790 121.300 -0.102 0.000 2.882 414 W HA 0.777 5.437 4.660 0.000 0.000 0.345 414 W C -2.913 173.598 176.519 -0.013 0.000 1.125 414 W CA -2.587 54.727 57.345 -0.052 0.000 1.167 414 W CB 1.607 31.055 29.460 -0.019 0.000 1.431 414 W HN 0.303 nan 8.180 nan 0.000 0.543 415 P HA 0.188 nan 4.420 nan 0.000 0.292 415 P C 0.757 178.185 177.300 0.214 0.000 1.326 415 P CA 0.051 63.264 63.100 0.188 0.000 0.787 415 P CB 1.170 32.960 31.700 0.149 0.000 0.903 416 T N 2.555 117.201 114.554 0.154 0.000 2.684 416 T HA -0.283 4.067 4.350 0.000 0.000 0.267 416 T C 1.811 176.603 174.700 0.153 0.000 1.032 416 T CA 1.851 64.037 62.100 0.143 0.000 1.155 416 T CB -0.350 68.573 68.868 0.092 0.000 0.857 416 T HN 0.383 nan 8.240 nan 0.000 0.457 417 R N 1.312 121.887 120.500 0.126 0.000 2.096 417 R HA -0.101 4.239 4.340 0.000 0.000 0.240 417 R C 2.227 178.604 176.300 0.129 0.000 1.139 417 R CA 1.960 58.123 56.100 0.105 0.000 0.952 417 R CB -0.514 29.838 30.300 0.088 0.000 0.854 417 R HN 0.524 nan 8.270 nan 0.000 0.436 418 E N -1.333 118.978 120.200 0.186 0.000 2.153 418 E HA -0.217 4.133 4.350 0.000 0.000 0.194 418 E C 1.586 178.351 176.600 0.275 0.000 0.988 418 E CA 1.162 57.711 56.400 0.247 0.000 0.811 418 E CB -0.211 29.678 29.700 0.315 0.000 0.746 418 E HN 0.409 nan 8.360 nan 0.000 0.466 419 Y N 1.297 121.630 120.300 0.055 0.000 2.314 419 Y HA -0.149 4.401 4.550 0.000 0.000 0.293 419 Y C 2.243 178.065 175.900 -0.131 0.000 1.129 419 Y CA 1.483 59.388 58.100 -0.326 0.000 1.201 419 Y CB -0.197 37.951 38.460 -0.521 0.000 0.999 419 Y HN -0.099 nan 8.280 nan 0.000 0.541 420 T N -0.002 114.499 114.554 -0.088 0.000 2.821 420 T HA -0.138 4.212 4.350 0.000 0.000 0.267 420 T C 1.289 175.936 174.700 -0.088 0.000 1.046 420 T CA 1.526 63.555 62.100 -0.119 0.000 1.139 420 T CB -0.241 68.622 68.868 -0.008 0.000 0.871 420 T HN 0.328 nan 8.240 nan 0.000 0.454 421 D N 0.549 120.950 120.400 0.001 0.000 2.178 421 D HA -0.009 4.631 4.640 0.000 0.000 0.202 421 D C 1.575 177.919 176.300 0.073 0.000 0.974 421 D CA 0.533 54.561 54.000 0.046 0.000 0.841 421 D CB -0.325 40.524 40.800 0.081 0.000 0.953 421 D HN 0.359 nan 8.370 nan 0.000 0.478 422 F N 1.629 121.510 119.950 -0.115 0.000 2.325 422 F HA 0.009 4.536 4.527 0.000 0.000 0.299 422 F C 2.076 177.812 175.800 -0.107 0.000 1.090 422 F CA 0.894 58.841 58.000 -0.087 0.000 1.392 422 F CB 0.125 38.977 39.000 -0.247 0.000 1.053 422 F HN -0.234 nan 8.300 nan 0.000 0.521 423 R N 0.351 120.667 120.500 -0.308 0.000 2.189 423 R HA -0.105 4.235 4.340 0.000 0.000 0.218 423 R C 1.982 178.171 176.300 -0.184 0.000 1.074 423 R CA 1.484 57.406 56.100 -0.297 0.000 0.991 423 R CB -0.315 29.793 30.300 -0.320 0.000 0.883 423 R HN 0.587 nan 8.270 nan 0.000 0.457 424 E N -1.123 119.002 120.200 -0.126 0.000 2.251 424 E HA -0.116 4.234 4.350 0.000 0.000 0.194 424 E C 1.437 177.997 176.600 -0.066 0.000 0.964 424 E CA 0.132 56.478 56.400 -0.091 0.000 0.868 424 E CB -0.394 29.278 29.700 -0.047 0.000 0.828 424 E HN 0.236 nan 8.360 nan 0.000 0.481 425 Y N 1.266 121.479 120.300 -0.145 0.000 2.181 425 Y HA -0.010 4.540 4.550 0.000 0.000 0.288 425 Y C 0.641 176.462 175.900 -0.133 0.000 1.146 425 Y CA 0.891 58.930 58.100 -0.101 0.000 1.164 425 Y CB 0.066 38.499 38.460 -0.044 0.000 0.982 425 Y HN 0.109 nan 8.280 nan 0.000 0.515 426 F N -0.061 119.695 119.950 -0.322 0.000 2.408 426 F HA 0.346 4.873 4.527 0.000 0.000 0.325 426 F C 0.527 176.149 175.800 -0.297 0.000 1.082 426 F CA -1.054 56.712 58.000 -0.392 0.000 1.032 426 F CB 0.779 39.354 39.000 -0.707 0.000 1.259 426 F HN -0.053 nan 8.300 nan 0.000 0.503 427 M N 3.516 122.147 119.600 -1.614 0.000 2.298 427 M HA -0.220 4.260 4.480 0.000 0.000 0.196 427 M C 0.022 176.013 176.300 -0.515 0.000 0.531 427 M CA 0.466 55.140 55.300 -1.043 0.000 0.459 427 M CB -1.027 31.173 32.600 -0.667 0.000 1.279 427 M HN 0.886 nan 8.290 nan 0.000 0.915 428 E N -0.518 119.411 120.200 -0.452 0.000 2.340 428 E HA 0.175 4.526 4.350 0.000 0.000 0.194 428 E C 0.245 176.704 176.600 -0.235 0.000 0.996 428 E CA 0.543 56.768 56.400 -0.292 0.000 0.869 428 E CB 0.465 30.000 29.700 -0.274 0.000 0.835 428 E HN 0.517 nan 8.360 nan 0.000 0.493 429 V N 1.343 121.100 119.914 -0.262 0.000 2.311 429 V HA 0.467 4.587 4.120 0.000 0.000 0.275 429 V C 0.040 176.026 176.094 -0.180 0.000 1.022 429 V CA -0.325 61.858 62.300 -0.194 0.000 0.830 429 V CB 1.091 32.809 31.823 -0.175 0.000 1.012 429 V HN 0.059 nan 8.190 nan 0.000 0.452 430 A N 3.674 126.410 122.820 -0.140 0.000 3.308 430 A HA 0.353 4.673 4.320 0.000 0.000 0.275 430 A C 0.512 178.045 177.584 -0.086 0.000 0.950 430 A CA -0.392 51.577 52.037 -0.113 0.000 0.987 430 A CB -0.183 18.750 19.000 -0.112 0.000 1.146 430 A HN 0.565 nan 8.150 nan 0.000 0.488 431 N N 1.794 120.445 118.700 -0.082 0.000 3.105 431 N HA 0.115 4.855 4.740 0.000 0.000 0.309 431 N C 1.166 176.644 175.510 -0.052 0.000 1.291 431 N CA 0.355 53.366 53.050 -0.065 0.000 1.153 431 N CB -0.948 37.500 38.487 -0.064 0.000 1.447 431 N HN 0.720 nan 8.380 nan 0.000 0.555 432 L N -1.202 119.992 121.223 -0.049 0.000 3.799 432 L HA -0.441 3.899 4.340 0.000 0.000 0.053 432 L C 0.821 177.670 176.870 -0.034 0.000 3.965 432 L CA 2.151 56.968 54.840 -0.038 0.000 1.118 432 L CB -1.586 40.453 42.059 -0.033 0.000 3.270 432 L HN 0.551 nan 8.230 nan 0.000 0.734 433 N N -1.011 117.670 118.700 -0.031 0.000 2.648 433 N HA 0.645 5.385 4.740 0.000 0.000 0.272 433 N C -0.460 175.035 175.510 -0.025 0.000 1.118 433 N CA 0.182 53.216 53.050 -0.027 0.000 0.973 433 N CB 0.882 39.357 38.487 -0.021 0.000 1.565 433 N HN 0.869 nan 8.380 nan 0.000 0.542 434 S N 1.197 116.881 115.700 -0.027 0.000 2.562 434 S HA 0.601 5.071 4.470 0.000 0.000 0.281 434 S C -1.491 173.098 174.600 -0.019 0.000 1.333 434 S CA -0.976 57.209 58.200 -0.024 0.000 1.052 434 S CB -0.607 62.577 63.200 -0.026 0.000 0.884 434 S HN 0.646 nan 8.310 nan 0.000 0.506 435 P HA -0.106 nan 4.420 nan 0.000 0.031 435 P C -0.069 177.224 177.300 -0.012 0.000 0.512 435 P CA 0.699 63.791 63.100 -0.014 0.000 1.035 435 P CB -0.412 31.280 31.700 -0.013 0.000 1.839 436 L N 0.208 121.424 121.223 -0.012 0.000 2.577 436 L HA 0.043 4.383 4.340 0.000 0.000 0.225 436 L C 2.428 179.293 176.870 -0.008 0.000 1.053 436 L CA 0.983 55.817 54.840 -0.009 0.000 0.866 436 L CB -0.146 41.907 42.059 -0.010 0.000 1.132 436 L HN 0.050 nan 8.230 nan 0.000 0.486 437 K N 0.651 121.046 120.400 -0.008 0.000 2.365 437 K HA 0.152 4.472 4.320 0.000 0.000 0.197 437 K C 1.295 177.891 176.600 -0.007 0.000 1.042 437 K CA 0.824 57.107 56.287 -0.007 0.000 0.987 437 K CB -0.451 32.044 32.500 -0.008 0.000 0.779 437 K HN 0.407 nan 8.250 nan 0.000 0.484 438 I N -0.669 119.896 120.570 -0.008 0.000 4.025 438 I HA 0.234 4.404 4.170 0.000 0.000 0.336 438 I C 2.344 178.457 176.117 -0.007 0.000 1.390 438 I CA 0.369 61.665 61.300 -0.007 0.000 1.099 438 I CB 0.889 38.884 38.000 -0.008 0.000 1.049 438 I HN 0.178 nan 8.210 nan 0.000 0.394 439 A N 1.517 124.333 122.820 -0.006 0.000 1.898 439 A HA 0.393 4.713 4.320 0.000 0.000 0.216 439 A C 1.346 178.928 177.584 -0.005 0.000 1.181 439 A CA 1.524 53.557 52.037 -0.006 0.000 0.620 439 A CB -0.403 18.593 19.000 -0.006 0.000 0.819 439 A HN 0.515 nan 8.150 nan 0.000 0.442 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925