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 2jae_1_A DATA FIRST_RESID 4 DATA SEQUENCE DLIGKVKGSH SVVVLGGGPA GLCSAFELQK AGYKVTVLEA RTRPGGRVWT DATA SEQUENCE ARGGSEETDL SGETQKCTFS EGHFYNVGAT RIPQSHITLD YCRELGVEIQ DATA SEQUENCE GFGNQNANTF VNYQSDTSLS GQSVTYRAAK ADTFGYMSEL LKKATDQGAL DATA SEQUENCE DQVLSREDKD ALSEFLSDFG DLSDDGRYLG SSRRGYDSEP GAGLNFGTEK DATA SEQUENCE KPFAMQEVIR SGIGRNFSFD FGYDQAMMMF TPVGGMDRIY YAFQDRIGTD DATA SEQUENCE NIVFGAEVTS MKNVSEGVTV EYTAGGSKKS ITADYAICTI PPHLVGRLQN DATA SEQUENCE NLPGDVLTAL KAAKPSSSGK LGIEYSRRWW ETEDRIYGGA SNTDKDISQI DATA SEQUENCE MFPYDHYNSD RGVVVAYYSS GKRQEAFESL THRQRLAKAI AEGSEIHGEK DATA SEQUENCE YTRDISSSFS GSWRRTKYSE SAWANWAGSX XXXXXXATPE YEKLLEPVDK DATA SEQUENCE IYFAGDHLSN AIAWQHGALT SARDVVTHIH ERVAQE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.276 176.300 -0.041 0.000 2.045 4 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 4 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 5 L N 1.695 122.890 121.223 -0.046 0.000 2.005 5 L HA 0.339 4.681 4.340 0.002 0.000 0.207 5 L C 0.721 177.538 176.870 -0.089 0.000 1.072 5 L CA 1.638 56.445 54.840 -0.054 0.000 0.744 5 L CB -0.087 41.949 42.059 -0.039 0.000 0.895 5 L HN 0.359 nan 8.230 nan 0.000 0.433 6 I N -3.861 116.624 120.570 -0.142 0.000 2.802 6 I HA 0.609 4.781 4.170 0.002 0.000 0.298 6 I C -0.169 175.836 176.117 -0.187 0.000 1.176 6 I CA -0.738 60.425 61.300 -0.228 0.000 1.025 6 I CB 1.748 39.404 38.000 -0.573 0.000 1.243 6 I HN -0.065 nan 8.210 nan 0.000 0.424 7 G N 3.789 112.536 108.800 -0.087 0.000 3.428 7 G HA2 0.429 4.391 3.960 0.002 0.000 0.344 7 G HA3 0.429 4.391 3.960 0.002 0.000 0.344 7 G C -0.499 174.426 174.900 0.042 0.000 1.256 7 G CA -0.453 44.636 45.100 -0.017 0.000 1.209 7 G HN 0.619 nan 8.290 nan 0.000 0.470 8 K N 0.139 120.541 120.400 0.005 0.000 6.865 8 K HA -0.178 4.143 4.320 0.002 0.000 0.761 8 K C -0.142 176.528 176.600 0.117 0.000 2.274 8 K CA 0.070 56.379 56.287 0.035 0.000 1.700 8 K CB -0.840 31.668 32.500 0.012 0.000 1.937 8 K HN 0.518 nan 8.250 nan 0.000 0.307 9 V N 2.896 122.865 119.914 0.093 0.000 2.732 9 V HA 0.219 4.340 4.120 0.002 0.000 0.297 9 V C 0.211 176.273 176.094 -0.054 0.000 1.060 9 V CA -0.145 62.154 62.300 -0.003 0.000 1.038 9 V CB 1.029 32.630 31.823 -0.369 0.000 1.003 9 V HN 0.579 nan 8.190 nan 0.000 0.481 10 K N 4.221 124.597 120.400 -0.040 0.000 2.183 10 K HA 0.738 5.060 4.320 0.002 0.000 0.274 10 K C 0.301 176.960 176.600 0.098 0.000 1.009 10 K CA 0.660 56.955 56.287 0.012 0.000 0.888 10 K CB 1.148 33.653 32.500 0.008 0.000 1.078 10 K HN 1.287 nan 8.250 nan 0.000 0.459 11 G N 1.125 109.944 108.800 0.031 0.000 2.681 11 G HA2 -0.211 3.750 3.960 0.002 0.000 0.220 11 G HA3 -0.211 3.750 3.960 0.002 0.000 0.220 11 G C -0.886 173.945 174.900 -0.116 0.000 1.353 11 G CA -0.821 44.257 45.100 -0.037 0.000 0.872 11 G HN 0.473 nan 8.290 nan 0.000 0.557 12 S N 1.509 117.022 115.700 -0.313 0.000 2.429 12 S HA 0.706 5.178 4.470 0.002 0.000 0.302 12 S C -0.386 173.876 174.600 -0.562 0.000 1.115 12 S CA -0.557 57.468 58.200 -0.290 0.000 1.095 12 S CB 0.790 63.882 63.200 -0.180 0.000 0.987 12 S HN 0.658 nan 8.310 nan 0.000 0.474 13 H N 1.005 120.057 119.070 -0.030 0.000 2.865 13 H HA 0.471 5.029 4.556 0.002 0.000 0.362 13 H C -0.705 174.745 175.328 0.204 0.000 1.114 13 H CA -0.643 55.459 56.048 0.091 0.000 1.208 13 H CB 1.996 31.810 29.762 0.086 0.000 1.727 13 H HN 0.643 nan 8.280 nan 0.000 0.534 14 S N 1.434 117.333 115.700 0.331 0.000 2.536 14 S HA 0.749 5.220 4.470 0.002 0.000 0.298 14 S C -0.559 174.197 174.600 0.260 0.000 1.083 14 S CA -0.708 57.639 58.200 0.246 0.000 0.995 14 S CB 2.147 65.425 63.200 0.129 0.000 1.058 14 S HN 0.275 nan 8.310 nan 0.000 0.488 15 V N 1.773 121.787 119.914 0.167 0.000 2.760 15 V HA 0.640 4.762 4.120 0.002 0.000 0.309 15 V C -0.661 175.457 176.094 0.040 0.000 1.077 15 V CA -0.851 61.511 62.300 0.103 0.000 0.910 15 V CB 1.828 33.649 31.823 -0.003 0.000 1.008 15 V HN 0.877 nan 8.190 nan 0.000 0.424 16 V N 5.740 125.670 119.914 0.027 0.000 2.435 16 V HA 0.657 4.778 4.120 0.002 0.000 0.290 16 V C -0.581 175.488 176.094 -0.042 0.000 1.030 16 V CA -0.158 62.131 62.300 -0.018 0.000 0.881 16 V CB 1.910 33.725 31.823 -0.014 0.000 0.983 16 V HN 0.664 nan 8.190 nan 0.000 0.445 17 V N 8.013 127.879 119.914 -0.080 0.000 2.384 17 V HA 0.445 4.566 4.120 0.002 0.000 0.287 17 V C -0.401 175.624 176.094 -0.114 0.000 1.020 17 V CA -0.613 61.632 62.300 -0.092 0.000 0.850 17 V CB 1.408 33.165 31.823 -0.111 0.000 0.987 17 V HN 0.715 nan 8.190 nan 0.000 0.436 18 L N 4.938 126.111 121.223 -0.084 0.000 2.261 18 L HA 0.805 5.147 4.340 0.002 0.000 0.289 18 L C 0.717 177.534 176.870 -0.088 0.000 1.059 18 L CA 0.569 55.356 54.840 -0.090 0.000 0.816 18 L CB 0.776 42.811 42.059 -0.041 0.000 1.191 18 L HN 0.955 nan 8.230 nan 0.000 0.431 19 G N 2.044 110.765 108.800 -0.133 0.000 3.209 19 G HA2 0.136 4.097 3.960 0.002 0.000 0.686 19 G HA3 0.136 4.097 3.960 0.002 0.000 0.686 19 G C 0.058 174.868 174.900 -0.151 0.000 1.065 19 G CA -0.560 44.462 45.100 -0.131 0.000 0.812 19 G HN 0.948 nan 8.290 nan 0.000 0.573 20 G N 0.956 109.659 108.800 -0.162 0.000 4.486 20 G HA2 0.698 4.659 3.960 0.002 0.000 0.306 20 G HA3 0.698 4.659 3.960 0.002 0.000 0.306 20 G C 0.844 175.664 174.900 -0.133 0.000 1.331 20 G CA 0.914 45.919 45.100 -0.157 0.000 1.113 20 G HN 1.302 nan 8.290 nan 0.000 0.594 21 G N 0.488 109.191 108.800 -0.161 0.000 2.510 21 G HA2 0.461 4.422 3.960 0.002 0.000 0.280 21 G HA3 0.461 4.422 3.960 0.002 0.000 0.280 21 G C -1.047 173.662 174.900 -0.319 0.000 1.386 21 G CA -0.956 44.002 45.100 -0.237 0.000 1.047 21 G HN 0.004 nan 8.290 nan 0.000 0.527 22 P HA -0.113 nan 4.420 nan 0.000 0.216 22 P C 2.069 179.218 177.300 -0.251 0.000 1.153 22 P CA 2.370 65.249 63.100 -0.368 0.000 0.858 22 P CB 0.082 31.596 31.700 -0.309 0.000 0.789 23 A N -0.409 122.303 122.820 -0.179 0.000 1.898 23 A HA -0.046 4.276 4.320 0.002 0.000 0.216 23 A C 2.484 179.961 177.584 -0.177 0.000 1.181 23 A CA 2.021 53.970 52.037 -0.146 0.000 0.620 23 A CB -1.817 17.145 19.000 -0.064 0.000 0.819 23 A HN 0.281 nan 8.150 nan 0.000 0.442 24 G N -0.279 108.419 108.800 -0.170 0.000 2.402 24 G HA2 -0.091 3.870 3.960 0.002 0.000 0.216 24 G HA3 -0.091 3.870 3.960 0.002 0.000 0.216 24 G C 1.555 176.325 174.900 -0.217 0.000 1.162 24 G CA 0.953 45.953 45.100 -0.166 0.000 0.777 24 G HN 0.415 nan 8.290 nan 0.000 0.539 25 L N -0.061 120.989 121.223 -0.288 0.000 2.056 25 L HA -0.067 4.275 4.340 0.002 0.000 0.207 25 L C 2.986 179.485 176.870 -0.619 0.000 1.078 25 L CA 0.789 55.401 54.840 -0.380 0.000 0.749 25 L CB -0.597 41.248 42.059 -0.357 0.000 0.901 25 L HN 0.384 nan 8.230 nan 0.000 0.433 26 C N -0.518 118.308 119.300 -0.790 0.000 2.429 26 C HA -0.159 4.303 4.460 0.002 0.000 0.277 26 C C 3.187 178.049 174.990 -0.214 0.000 1.262 26 C CA 1.414 60.023 59.018 -0.681 0.000 1.733 26 C CB -0.544 26.851 27.740 -0.574 0.000 2.010 26 C HN 0.519 nan 8.230 nan 0.000 0.483 27 S N 0.826 116.407 115.700 -0.199 0.000 2.353 27 S HA -0.149 4.323 4.470 0.002 0.000 0.222 27 S C 2.219 176.755 174.600 -0.106 0.000 1.035 27 S CA 1.687 59.803 58.200 -0.140 0.000 1.025 27 S CB -0.707 62.403 63.200 -0.149 0.000 0.902 27 S HN 0.853 nan 8.310 nan 0.000 0.440 28 A N 0.963 123.725 122.820 -0.096 0.000 1.877 28 A HA -0.102 4.219 4.320 0.002 0.000 0.216 28 A C 1.925 179.534 177.584 0.042 0.000 1.186 28 A CA 1.636 53.647 52.037 -0.044 0.000 0.620 28 A CB -0.947 18.024 19.000 -0.048 0.000 0.822 28 A HN 0.491 nan 8.150 nan 0.000 0.443 29 F N 0.974 120.889 119.950 -0.059 0.000 2.095 29 F HA -0.190 4.338 4.527 0.002 0.000 0.298 29 F C 2.286 178.123 175.800 0.063 0.000 1.104 29 F CA 2.280 60.320 58.000 0.066 0.000 1.232 29 F CB -0.072 39.055 39.000 0.212 0.000 0.987 29 F HN 0.231 nan 8.300 nan 0.000 0.475 30 E N 0.524 120.757 120.200 0.055 0.000 2.107 30 E HA -0.137 4.214 4.350 0.002 0.000 0.191 30 E C 2.474 178.994 176.600 -0.135 0.000 0.982 30 E CA 1.119 57.476 56.400 -0.071 0.000 0.809 30 E CB -0.665 29.050 29.700 0.026 0.000 0.756 30 E HN 0.470 nan 8.360 nan 0.000 0.459 31 L N 0.905 122.049 121.223 -0.131 0.000 2.046 31 L HA -0.229 4.112 4.340 0.002 0.000 0.208 31 L C 2.681 179.581 176.870 0.049 0.000 1.077 31 L CA 1.317 56.073 54.840 -0.139 0.000 0.747 31 L CB -0.369 41.545 42.059 -0.242 0.000 0.896 31 L HN 0.124 nan 8.230 nan 0.000 0.432 32 Q N -0.176 119.616 119.800 -0.012 0.000 2.084 32 Q HA -0.227 4.114 4.340 0.002 0.000 0.202 32 Q C 2.232 178.200 176.000 -0.054 0.000 0.978 32 Q CA 1.368 57.169 55.803 -0.003 0.000 0.844 32 Q CB -0.058 28.663 28.738 -0.029 0.000 0.898 32 Q HN 0.437 nan 8.270 nan 0.000 0.426 33 K N 0.103 120.403 120.400 -0.166 0.000 2.152 33 K HA -0.109 4.213 4.320 0.002 0.000 0.206 33 K C 1.765 178.310 176.600 -0.092 0.000 1.048 33 K CA 1.141 57.319 56.287 -0.183 0.000 0.933 33 K CB -0.042 32.275 32.500 -0.305 0.000 0.721 33 K HN 0.110 nan 8.250 nan 0.000 0.447 34 A N 0.076 122.873 122.820 -0.038 0.000 2.251 34 A HA 0.197 4.519 4.320 0.002 0.000 0.209 34 A C 1.279 178.886 177.584 0.038 0.000 1.187 34 A CA 0.875 52.914 52.037 0.003 0.000 0.823 34 A CB 0.000 19.000 19.000 -0.001 0.000 0.846 34 A HN 0.408 nan 8.150 nan 0.000 0.486 35 G N -2.383 106.442 108.800 0.042 0.000 2.148 35 G HA2 -0.235 3.726 3.960 0.002 0.000 0.203 35 G HA3 -0.235 3.726 3.960 0.002 0.000 0.203 35 G C -0.090 174.783 174.900 -0.045 0.000 0.993 35 G CA -0.025 45.061 45.100 -0.023 0.000 0.661 35 G HN 0.394 nan 8.290 nan 0.000 0.518 36 Y N 0.238 120.550 120.300 0.020 0.000 2.304 36 Y HA 0.533 5.084 4.550 0.002 0.000 0.327 36 Y C 0.878 176.795 175.900 0.029 0.000 1.209 36 Y CA -0.237 57.892 58.100 0.048 0.000 1.299 36 Y CB 0.880 39.359 38.460 0.032 0.000 1.249 36 Y HN 0.087 nan 8.280 nan 0.000 0.519 37 K N 1.829 122.344 120.400 0.191 0.000 2.339 37 K HA 0.462 4.784 4.320 0.002 0.000 0.286 37 K C -1.674 175.000 176.600 0.124 0.000 1.050 37 K CA -0.045 56.313 56.287 0.118 0.000 0.956 37 K CB 0.205 32.755 32.500 0.084 0.000 0.990 37 K HN 0.443 nan 8.250 nan 0.000 0.475 38 V N 3.474 123.429 119.914 0.069 0.000 2.789 38 V HA 0.511 4.633 4.120 0.002 0.000 0.311 38 V C -0.791 175.300 176.094 -0.005 0.000 1.073 38 V CA -0.914 61.403 62.300 0.029 0.000 0.921 38 V CB 2.380 34.206 31.823 0.006 0.000 1.009 38 V HN 0.884 nan 8.190 nan 0.000 0.426 39 T N 2.793 117.327 114.554 -0.033 0.000 2.879 39 T HA 0.578 4.929 4.350 0.002 0.000 0.290 39 T C -0.607 174.017 174.700 -0.126 0.000 0.993 39 T CA -0.443 61.612 62.100 -0.075 0.000 0.975 39 T CB 1.752 70.581 68.868 -0.066 0.000 0.981 39 T HN 0.381 nan 8.240 nan 0.000 0.439 40 V N 4.731 124.539 119.914 -0.176 0.000 2.427 40 V HA 0.481 4.602 4.120 0.002 0.000 0.286 40 V C -0.255 175.645 176.094 -0.322 0.000 1.034 40 V CA -0.804 61.358 62.300 -0.230 0.000 0.893 40 V CB 1.278 32.956 31.823 -0.243 0.000 0.982 40 V HN 0.715 nan 8.190 nan 0.000 0.452 41 L N 4.396 125.423 121.223 -0.327 0.000 2.298 41 L HA 0.644 4.985 4.340 0.002 0.000 0.284 41 L C -0.381 176.287 176.870 -0.337 0.000 1.013 41 L CA -0.383 54.211 54.840 -0.409 0.000 0.824 41 L CB 1.565 43.339 42.059 -0.474 0.000 1.221 41 L HN 0.627 nan 8.230 nan 0.000 0.418 42 E N 2.209 122.196 120.200 -0.355 0.000 2.199 42 E HA 0.527 4.879 4.350 0.002 0.000 0.265 42 E C 0.176 176.638 176.600 -0.229 0.000 0.882 42 E CA -0.351 55.887 56.400 -0.271 0.000 0.759 42 E CB 2.112 31.658 29.700 -0.256 0.000 1.148 42 E HN 0.546 nan 8.360 nan 0.000 0.412 43 A N 5.247 127.854 122.820 -0.355 0.000 1.930 43 A HA 0.014 4.335 4.320 0.002 0.000 0.217 43 A C 1.072 178.410 177.584 -0.411 0.000 1.175 43 A CA 0.883 52.575 52.037 -0.575 0.000 0.627 43 A CB -0.177 17.986 19.000 -1.396 0.000 0.815 43 A HN 0.595 nan 8.150 nan 0.000 0.443 44 R N -0.914 119.432 120.500 -0.257 0.000 2.574 44 R HA 0.317 4.658 4.340 0.002 0.000 0.266 44 R C 1.346 177.686 176.300 0.066 0.000 1.157 44 R CA 0.544 56.611 56.100 -0.055 0.000 1.187 44 R CB 0.081 30.356 30.300 -0.043 0.000 1.179 44 R HN 0.381 nan 8.270 nan 0.000 0.600 45 T N -2.207 112.344 114.554 -0.005 0.000 3.107 45 T HA 0.072 4.423 4.350 0.002 0.000 0.249 45 T C 0.513 174.953 174.700 -0.434 0.000 1.096 45 T CA -0.166 61.864 62.100 -0.117 0.000 1.012 45 T CB -0.163 68.654 68.868 -0.084 0.000 0.977 45 T HN 0.555 nan 8.240 nan 0.000 0.527 46 R N 0.868 121.220 120.500 -0.247 0.000 2.778 46 R HA 0.724 5.066 4.340 0.002 0.000 0.277 46 R C -3.251 172.989 176.300 -0.100 0.000 0.977 46 R CA -2.378 53.556 56.100 -0.277 0.000 0.950 46 R CB 0.916 31.177 30.300 -0.064 0.000 1.165 46 R HN -0.039 nan 8.270 nan 0.000 0.474 47 P HA 0.224 nan 4.420 nan 0.000 0.286 47 P C 0.101 177.356 177.300 -0.075 0.000 1.261 47 P CA 0.123 63.218 63.100 -0.010 0.000 0.821 47 P CB 1.622 33.278 31.700 -0.073 0.000 1.013 48 G N 0.797 109.547 108.800 -0.085 0.000 2.336 48 G HA2 0.035 3.996 3.960 0.002 0.000 0.194 48 G HA3 0.035 3.996 3.960 0.002 0.000 0.194 48 G C 0.663 175.437 174.900 -0.209 0.000 0.999 48 G CA 0.366 45.325 45.100 -0.236 0.000 0.669 48 G HN 0.893 nan 8.290 nan 0.000 0.482 49 G N 0.583 109.333 108.800 -0.082 0.000 2.602 49 G HA2 -0.399 3.562 3.960 0.002 0.000 0.310 49 G HA3 -0.399 3.562 3.960 0.002 0.000 0.310 49 G C 0.975 175.909 174.900 0.057 0.000 1.183 49 G CA 1.368 46.449 45.100 -0.032 0.000 0.979 49 G HN 1.056 nan 8.290 nan 0.000 0.545 50 R N -0.035 120.421 120.500 -0.072 0.000 2.316 50 R HA 0.220 4.562 4.340 0.002 0.000 0.202 50 R C 0.649 176.887 176.300 -0.102 0.000 1.029 50 R CA 0.555 56.476 56.100 -0.298 0.000 1.018 50 R CB -0.036 29.948 30.300 -0.527 0.000 0.888 50 R HN 0.248 nan 8.270 nan 0.000 0.471 51 V N 1.626 121.537 119.914 -0.005 0.000 2.356 51 V HA 0.074 4.195 4.120 0.002 0.000 0.258 51 V C -0.799 175.496 176.094 0.336 0.000 1.065 51 V CA -0.323 62.055 62.300 0.129 0.000 0.935 51 V CB 0.339 32.185 31.823 0.037 0.000 1.061 51 V HN 0.213 nan 8.190 nan 0.000 0.484 52 W N 4.669 126.095 121.300 0.211 0.000 2.830 52 W HA 0.614 5.275 4.660 0.002 0.000 0.335 52 W C -0.563 176.044 176.519 0.145 0.000 1.043 52 W CA -0.888 56.589 57.345 0.220 0.000 1.239 52 W CB 1.892 31.563 29.460 0.352 0.000 1.378 52 W HN 0.403 nan 8.180 nan 0.000 0.456 53 T N 5.053 119.693 114.554 0.143 0.000 2.770 53 T HA 0.667 5.018 4.350 0.002 0.000 0.283 53 T C -0.078 174.434 174.700 -0.313 0.000 0.988 53 T CA -0.351 61.688 62.100 -0.101 0.000 0.957 53 T CB 1.082 69.952 68.868 0.005 0.000 0.930 53 T HN 0.541 nan 8.240 nan 0.000 0.443 54 A N 4.880 127.340 122.820 -0.601 0.000 2.354 54 A HA 0.714 5.036 4.320 0.002 0.000 0.281 54 A C 0.456 177.932 177.584 -0.181 0.000 1.174 54 A CA -0.628 51.004 52.037 -0.675 0.000 0.828 54 A CB 0.215 18.578 19.000 -1.063 0.000 1.099 54 A HN 0.927 nan 8.150 nan 0.000 0.516 55 R N 1.814 122.208 120.500 -0.177 0.000 2.817 55 R HA 0.695 5.036 4.340 0.002 0.000 0.268 55 R C 0.271 176.506 176.300 -0.107 0.000 1.027 55 R CA -0.548 55.581 56.100 0.048 0.000 0.928 55 R CB 0.563 30.922 30.300 0.098 0.000 1.228 55 R HN 0.784 nan 8.270 nan 0.000 0.469 56 G N -0.498 108.306 108.800 0.007 0.000 2.178 56 G HA2 0.279 4.241 3.960 0.002 0.000 0.244 56 G HA3 0.279 4.241 3.960 0.002 0.000 0.244 56 G C 1.002 175.858 174.900 -0.073 0.000 1.213 56 G CA 0.583 45.652 45.100 -0.052 0.000 0.912 56 G HN 1.214 nan 8.290 nan 0.000 0.474 57 G N 1.421 110.161 108.800 -0.101 0.000 2.232 57 G HA2 -0.248 3.713 3.960 0.002 0.000 0.226 57 G HA3 -0.248 3.713 3.960 0.002 0.000 0.226 57 G C 0.745 175.604 174.900 -0.069 0.000 0.996 57 G CA 0.319 45.380 45.100 -0.065 0.000 0.626 57 G HN 1.207 nan 8.290 nan 0.000 0.509 58 S N 1.086 116.703 115.700 -0.138 0.000 2.525 58 S HA 0.437 4.909 4.470 0.002 0.000 0.285 58 S C 0.088 174.674 174.600 -0.023 0.000 1.283 58 S CA 0.504 58.643 58.200 -0.103 0.000 1.072 58 S CB 1.435 64.453 63.200 -0.303 0.000 0.867 58 S HN 0.561 nan 8.310 nan 0.000 0.492 59 E N 2.006 122.264 120.200 0.097 0.000 2.234 59 E HA 0.451 4.802 4.350 0.002 0.000 0.266 59 E C -1.155 175.567 176.600 0.202 0.000 0.877 59 E CA -0.572 55.918 56.400 0.150 0.000 0.758 59 E CB 1.194 30.939 29.700 0.074 0.000 1.170 59 E HN 0.516 nan 8.360 nan 0.000 0.415 60 E N 2.163 122.514 120.200 0.250 0.000 2.275 60 E HA 0.334 4.685 4.350 0.002 0.000 0.270 60 E C -1.741 174.896 176.600 0.061 0.000 0.882 60 E CA -0.544 55.958 56.400 0.171 0.000 0.758 60 E CB 2.017 31.927 29.700 0.350 0.000 1.195 60 E HN 0.320 nan 8.360 nan 0.000 0.419 61 T N 4.281 118.837 114.554 0.004 0.000 2.756 61 T HA 0.331 4.682 4.350 0.002 0.000 0.290 61 T C -0.671 173.995 174.700 -0.057 0.000 0.985 61 T CA -0.834 61.252 62.100 -0.024 0.000 0.955 61 T CB 0.483 69.339 68.868 -0.020 0.000 0.930 61 T HN 0.548 nan 8.240 nan 0.000 0.451 62 D N 2.457 122.821 120.400 -0.061 0.000 2.433 62 D HA 0.154 4.796 4.640 0.002 0.000 0.255 62 D C 1.166 177.422 176.300 -0.073 0.000 1.226 62 D CA -0.936 53.017 54.000 -0.077 0.000 1.015 62 D CB 0.623 41.380 40.800 -0.071 0.000 1.091 62 D HN 0.327 nan 8.370 nan 0.000 0.527 63 L N -0.470 120.709 121.223 -0.074 0.000 2.551 63 L HA -0.022 4.320 4.340 0.002 0.000 0.228 63 L C 1.825 178.667 176.870 -0.047 0.000 1.153 63 L CA 0.447 55.246 54.840 -0.069 0.000 0.851 63 L CB -0.254 41.764 42.059 -0.069 0.000 0.959 63 L HN 0.316 nan 8.230 nan 0.000 0.451 64 S N -0.455 115.223 115.700 -0.037 0.000 2.558 64 S HA 0.140 4.611 4.470 0.002 0.000 0.217 64 S C 1.541 176.127 174.600 -0.024 0.000 0.975 64 S CA 0.723 58.908 58.200 -0.026 0.000 0.912 64 S CB 0.351 63.541 63.200 -0.017 0.000 0.776 64 S HN 0.654 nan 8.310 nan 0.000 0.526 65 G N 1.820 110.602 108.800 -0.030 0.000 2.176 65 G HA2 -0.254 3.707 3.960 0.002 0.000 0.253 65 G HA3 -0.254 3.707 3.960 0.002 0.000 0.253 65 G C -0.112 174.776 174.900 -0.021 0.000 0.979 65 G CA 0.168 45.253 45.100 -0.025 0.000 0.641 65 G HN 0.545 nan 8.290 nan 0.000 0.530 66 E N 1.078 121.264 120.200 -0.023 0.000 2.289 66 E HA 0.514 4.865 4.350 0.002 0.000 0.278 66 E C -0.234 176.348 176.600 -0.031 0.000 1.032 66 E CA -0.119 56.268 56.400 -0.021 0.000 0.854 66 E CB 0.479 30.170 29.700 -0.016 0.000 1.046 66 E HN 0.111 nan 8.360 nan 0.000 0.409 67 T N 4.825 119.365 114.554 -0.023 0.000 2.767 67 T HA 0.246 4.597 4.350 0.002 0.000 0.284 67 T C -0.548 174.130 174.700 -0.037 0.000 0.973 67 T CA -0.551 61.539 62.100 -0.018 0.000 0.996 67 T CB 1.210 70.078 68.868 -0.000 0.000 0.927 67 T HN 0.461 nan 8.240 nan 0.000 0.456 68 Q N 2.059 121.830 119.800 -0.048 0.000 2.309 68 Q HA 0.454 4.795 4.340 0.002 0.000 0.264 68 Q C -0.682 175.392 176.000 0.123 0.000 1.008 68 Q CA -0.827 54.927 55.803 -0.083 0.000 0.853 68 Q CB 2.207 30.689 28.738 -0.427 0.000 1.314 68 Q HN 0.434 nan 8.270 nan 0.000 0.448 69 K N 1.414 121.869 120.400 0.092 0.000 2.483 69 K HA 0.308 4.629 4.320 0.002 0.000 0.256 69 K C -1.016 175.598 176.600 0.024 0.000 0.961 69 K CA -0.494 55.839 56.287 0.077 0.000 0.873 69 K CB 1.548 34.058 32.500 0.017 0.000 1.107 69 K HN 0.567 nan 8.250 nan 0.000 0.432 70 C N 3.063 122.299 119.300 -0.105 0.000 2.585 70 C HA 0.235 4.696 4.460 0.002 0.000 0.406 70 C C 1.422 176.219 174.990 -0.322 0.000 1.312 70 C CA 0.129 58.894 59.018 -0.422 0.000 1.924 70 C CB -0.760 26.376 27.740 -1.008 0.000 2.578 70 C HN 0.956 nan 8.230 nan 0.000 0.580 71 T N 2.611 116.975 114.554 -0.317 0.000 3.339 71 T HA 0.302 4.654 4.350 0.002 0.000 0.292 71 T C -0.084 174.607 174.700 -0.015 0.000 1.012 71 T CA -0.369 61.654 62.100 -0.128 0.000 0.937 71 T CB -0.576 68.257 68.868 -0.058 0.000 1.164 71 T HN 0.460 nan 8.240 nan 0.000 0.509 72 F N 2.988 122.921 119.950 -0.028 0.000 2.629 72 F HA 0.334 4.863 4.527 0.004 0.000 0.369 72 F C 1.349 177.150 175.800 0.001 0.000 1.125 72 F CA -0.847 57.144 58.000 -0.014 0.000 1.330 72 F CB -0.165 38.847 39.000 0.019 0.000 1.071 72 F HN 0.112 nan 8.300 nan 0.000 0.595 73 S N 1.122 116.931 115.700 0.181 0.000 2.559 73 S HA -0.061 4.410 4.470 0.002 0.000 0.282 73 S C 0.246 174.962 174.600 0.193 0.000 1.336 73 S CA -0.603 57.658 58.200 0.101 0.000 1.037 73 S CB 0.051 63.221 63.200 -0.049 0.000 0.853 73 S HN 0.586 nan 8.310 nan 0.000 0.523 74 E N 0.365 120.647 120.200 0.138 0.000 2.465 74 E HA 0.231 4.582 4.350 0.002 0.000 0.260 74 E C 1.245 177.943 176.600 0.163 0.000 0.980 74 E CA 0.790 57.267 56.400 0.128 0.000 0.927 74 E CB -0.138 29.607 29.700 0.074 0.000 0.934 74 E HN 0.880 nan 8.360 nan 0.000 0.459 75 G N 3.684 112.571 108.800 0.144 0.000 2.195 75 G HA2 -0.265 3.697 3.960 0.002 0.000 0.246 75 G HA3 -0.265 3.697 3.960 0.002 0.000 0.246 75 G C -0.278 174.679 174.900 0.095 0.000 0.984 75 G CA 0.401 45.572 45.100 0.118 0.000 0.633 75 G HN 0.718 nan 8.290 nan 0.000 0.525 76 H N -0.249 118.918 119.070 0.162 0.000 2.457 76 H HA 0.706 5.263 4.556 0.002 0.000 0.335 76 H C 0.076 175.484 175.328 0.133 0.000 1.115 76 H CA 0.097 56.162 56.048 0.029 0.000 1.219 76 H CB 1.086 30.749 29.762 -0.164 0.000 1.471 76 H HN 0.630 nan 8.280 nan 0.000 0.491 77 F N 0.498 120.447 119.950 -0.001 0.000 2.773 77 F HA 0.521 5.049 4.527 0.002 0.000 0.314 77 F C -2.013 173.805 175.800 0.030 0.000 1.160 77 F CA -1.486 56.545 58.000 0.053 0.000 0.920 77 F CB 1.107 40.133 39.000 0.044 0.000 1.323 77 F HN 0.490 nan 8.300 nan 0.000 0.457 78 Y N -0.452 119.922 120.300 0.122 0.000 2.588 78 Y HA 0.610 5.161 4.550 0.002 0.000 0.343 78 Y C -1.846 174.202 175.900 0.246 0.000 1.065 78 Y CA -1.646 56.500 58.100 0.077 0.000 1.038 78 Y CB 1.448 39.844 38.460 -0.106 0.000 1.297 78 Y HN 0.721 nan 8.280 nan 0.000 0.467 79 N N 1.718 120.568 118.700 0.250 0.000 2.401 79 N HA 0.269 5.011 4.740 0.002 0.000 0.255 79 N C 0.339 175.857 175.510 0.013 0.000 1.110 79 N CA -0.410 52.713 53.050 0.122 0.000 0.949 79 N CB 1.831 40.483 38.487 0.274 0.000 1.110 79 N HN 0.578 nan 8.380 nan 0.000 0.490 80 V N 1.491 121.284 119.914 -0.201 0.000 2.667 80 V HA -0.019 4.103 4.120 0.002 0.000 0.252 80 V C 1.560 177.948 176.094 0.491 0.000 1.065 80 V CA 1.682 63.979 62.300 -0.005 0.000 1.083 80 V CB -0.622 30.971 31.823 -0.382 0.000 0.692 80 V HN 0.793 nan 8.190 nan 0.000 0.468 81 G N -0.909 108.176 108.800 0.476 0.000 3.434 81 G HA2 0.534 4.496 3.960 0.002 0.000 0.197 81 G HA3 0.534 4.496 3.960 0.002 0.000 0.197 81 G C 0.277 175.219 174.900 0.069 0.000 1.559 81 G CA 0.114 45.360 45.100 0.243 0.000 0.852 81 G HN 0.482 nan 8.290 nan 0.000 0.682 82 A N -0.628 122.211 122.820 0.032 0.000 2.567 82 A HA 0.468 4.789 4.320 0.002 0.000 0.240 82 A C 0.902 178.529 177.584 0.073 0.000 1.053 82 A CA 1.430 53.481 52.037 0.023 0.000 0.755 82 A CB 0.323 19.364 19.000 0.068 0.000 0.978 82 A HN 0.670 nan 8.150 nan 0.000 0.507 83 T N 1.188 115.748 114.554 0.009 0.000 2.992 83 T HA 0.198 4.550 4.350 0.002 0.000 0.255 83 T C 0.450 175.016 174.700 -0.224 0.000 0.938 83 T CA 0.464 62.572 62.100 0.014 0.000 0.895 83 T CB -0.058 68.870 68.868 0.101 0.000 1.221 83 T HN 0.931 nan 8.240 nan 0.000 0.512 84 R N 0.556 120.889 120.500 -0.278 0.000 2.771 84 R HA 0.758 5.100 4.340 0.002 0.000 0.274 84 R C -1.762 174.544 176.300 0.010 0.000 0.987 84 R CA -0.918 54.914 56.100 -0.446 0.000 0.908 84 R CB 1.411 31.111 30.300 -1.000 0.000 1.213 84 R HN 0.169 nan 8.270 nan 0.000 0.468 85 I N 2.066 122.641 120.570 0.008 0.000 2.512 85 I HA 0.390 4.561 4.170 0.002 0.000 0.287 85 I C -2.427 173.661 176.117 -0.049 0.000 1.069 85 I CA -2.459 58.892 61.300 0.085 0.000 1.056 85 I CB 2.790 40.889 38.000 0.165 0.000 1.229 85 I HN 0.489 nan 8.210 nan 0.000 0.429 86 P HA 0.222 nan 4.420 nan 0.000 0.278 86 P C -0.322 176.813 177.300 -0.275 0.000 1.258 86 P CA -0.313 62.541 63.100 -0.411 0.000 0.811 86 P CB 1.068 32.269 31.700 -0.832 0.000 1.063 87 Q N 0.141 119.840 119.800 -0.169 0.000 2.291 87 Q HA -0.086 4.256 4.340 0.002 0.000 0.205 87 Q C 1.896 177.832 176.000 -0.106 0.000 0.970 87 Q CA 1.832 57.591 55.803 -0.073 0.000 0.876 87 Q CB -0.345 28.381 28.738 -0.020 0.000 0.935 87 Q HN 0.559 nan 8.270 nan 0.000 0.455 88 S N -0.831 114.754 115.700 -0.191 0.000 2.527 88 S HA -0.013 4.459 4.470 0.002 0.000 0.222 88 S C 0.321 174.927 174.600 0.009 0.000 0.985 88 S CA -0.187 57.966 58.200 -0.078 0.000 0.921 88 S CB -0.018 63.147 63.200 -0.058 0.000 0.772 88 S HN 0.230 nan 8.310 nan 0.000 0.529 89 H N 1.062 120.025 119.070 -0.178 0.000 2.582 89 H HA 0.364 4.922 4.556 0.002 0.000 0.345 89 H C 1.061 176.484 175.328 0.160 0.000 1.104 89 H CA -1.078 54.905 56.048 -0.107 0.000 1.390 89 H CB 0.768 30.500 29.762 -0.051 0.000 1.461 89 H HN 0.135 nan 8.280 nan 0.000 0.551 90 I N 1.687 122.577 120.570 0.534 0.000 2.756 90 I HA -0.234 3.937 4.170 0.002 0.000 0.262 90 I C 1.178 177.511 176.117 0.360 0.000 1.225 90 I CA 0.745 62.258 61.300 0.354 0.000 1.472 90 I CB 0.061 38.251 38.000 0.316 0.000 1.094 90 I HN 0.603 nan 8.210 nan 0.000 0.454 91 T N 1.413 116.199 114.554 0.388 0.000 2.685 91 T HA -0.245 4.106 4.350 0.002 0.000 0.268 91 T C 1.806 176.637 174.700 0.219 0.000 1.034 91 T CA 1.584 63.884 62.100 0.335 0.000 1.149 91 T CB -0.358 68.712 68.868 0.336 0.000 0.860 91 T HN 0.367 nan 8.240 nan 0.000 0.449 92 L N 0.860 122.177 121.223 0.156 0.000 2.093 92 L HA -0.085 4.256 4.340 0.002 0.000 0.208 92 L C 2.493 179.363 176.870 0.001 0.000 1.085 92 L CA 1.200 56.068 54.840 0.047 0.000 0.755 92 L CB -0.627 41.425 42.059 -0.012 0.000 0.904 92 L HN 0.280 nan 8.230 nan 0.000 0.435 93 D N -0.564 119.839 120.400 0.005 0.000 2.144 93 D HA -0.189 4.453 4.640 0.002 0.000 0.200 93 D C 2.060 178.259 176.300 -0.168 0.000 0.978 93 D CA 1.404 55.346 54.000 -0.097 0.000 0.833 93 D CB -0.034 40.687 40.800 -0.132 0.000 0.961 93 D HN 0.341 nan 8.370 nan 0.000 0.470 94 Y N 1.070 121.350 120.300 -0.033 0.000 2.242 94 Y HA -0.158 4.393 4.550 0.003 0.000 0.291 94 Y C 2.758 178.515 175.900 -0.239 0.000 1.137 94 Y CA 0.426 58.442 58.100 -0.140 0.000 1.181 94 Y CB -0.655 37.742 38.460 -0.105 0.000 0.989 94 Y HN 0.048 nan 8.280 nan 0.000 0.527 95 C N -0.389 118.892 119.300 -0.033 0.000 2.413 95 C HA -0.210 4.252 4.460 0.002 0.000 0.276 95 C C 2.866 177.794 174.990 -0.103 0.000 1.248 95 C CA 1.291 60.252 59.018 -0.096 0.000 1.742 95 C CB -1.026 26.681 27.740 -0.055 0.000 2.017 95 C HN 0.495 nan 8.230 nan 0.000 0.481 96 R N 1.016 121.462 120.500 -0.090 0.000 2.070 96 R HA -0.184 4.158 4.340 0.002 0.000 0.233 96 R C 2.246 178.494 176.300 -0.088 0.000 1.137 96 R CA 2.029 58.077 56.100 -0.087 0.000 0.945 96 R CB -0.488 29.760 30.300 -0.087 0.000 0.845 96 R HN 0.665 nan 8.270 nan 0.000 0.430 97 E N 0.259 120.396 120.200 -0.104 0.000 2.118 97 E HA -0.180 4.172 4.350 0.002 0.000 0.195 97 E C 1.751 178.306 176.600 -0.076 0.000 0.992 97 E CA 1.197 57.555 56.400 -0.070 0.000 0.804 97 E CB 0.001 29.664 29.700 -0.062 0.000 0.741 97 E HN 0.414 nan 8.360 nan 0.000 0.458 98 L N -0.711 120.412 121.223 -0.167 0.000 2.558 98 L HA 0.220 4.562 4.340 0.002 0.000 0.225 98 L C 1.305 178.092 176.870 -0.138 0.000 1.128 98 L CA 0.307 55.016 54.840 -0.218 0.000 0.868 98 L CB 0.269 42.065 42.059 -0.438 0.000 1.006 98 L HN 0.375 nan 8.230 nan 0.000 0.454 99 G N 0.784 109.522 108.800 -0.102 0.000 2.198 99 G HA2 -0.241 3.721 3.960 0.002 0.000 0.257 99 G HA3 -0.241 3.721 3.960 0.002 0.000 0.257 99 G C 0.063 174.918 174.900 -0.075 0.000 1.042 99 G CA 0.056 45.113 45.100 -0.071 0.000 0.791 99 G HN 0.119 nan 8.290 nan 0.000 0.502 100 V N 1.479 121.335 119.914 -0.097 0.000 2.368 100 V HA 0.291 4.413 4.120 0.002 0.000 0.266 100 V C 0.617 176.679 176.094 -0.053 0.000 1.045 100 V CA -0.920 61.329 62.300 -0.085 0.000 0.899 100 V CB 1.311 33.059 31.823 -0.125 0.000 1.006 100 V HN 0.353 nan 8.190 nan 0.000 0.470 101 E N 5.062 125.243 120.200 -0.032 0.000 2.384 101 E HA 0.270 4.622 4.350 0.002 0.000 0.266 101 E C -0.076 176.532 176.600 0.014 0.000 1.012 101 E CA 0.107 56.501 56.400 -0.010 0.000 0.901 101 E CB 1.559 31.260 29.700 0.000 0.000 0.967 101 E HN 0.738 nan 8.360 nan 0.000 0.435 102 I N -1.096 119.490 120.570 0.028 0.000 2.797 102 I HA 0.482 4.653 4.170 0.002 0.000 0.307 102 I C -0.216 175.984 176.117 0.138 0.000 1.033 102 I CA -0.991 60.358 61.300 0.082 0.000 1.071 102 I CB 1.870 39.911 38.000 0.069 0.000 1.255 102 I HN 0.368 nan 8.210 nan 0.000 0.445 103 Q N 2.575 122.502 119.800 0.212 0.000 2.495 103 Q HA 0.615 4.957 4.340 0.002 0.000 0.287 103 Q C -0.515 175.666 176.000 0.302 0.000 1.078 103 Q CA -1.131 54.817 55.803 0.242 0.000 0.793 103 Q CB 1.741 30.585 28.738 0.177 0.000 1.459 103 Q HN 0.920 nan 8.270 nan 0.000 0.422 104 G N 0.612 109.540 108.800 0.214 0.000 2.432 104 G HA2 0.290 4.251 3.960 0.002 0.000 0.239 104 G HA3 0.290 4.251 3.960 0.002 0.000 0.239 104 G C -1.447 173.423 174.900 -0.049 0.000 1.291 104 G CA -0.287 44.774 45.100 -0.066 0.000 0.863 104 G HN 0.471 nan 8.290 nan 0.000 0.560 105 F N 2.292 122.054 119.950 -0.313 0.000 2.427 105 F HA 0.565 5.093 4.527 0.002 0.000 0.346 105 F C 0.725 176.471 175.800 -0.091 0.000 1.120 105 F CA -0.941 56.921 58.000 -0.231 0.000 1.033 105 F CB 1.593 40.432 39.000 -0.268 0.000 1.126 105 F HN 0.548 nan 8.300 nan 0.000 0.462 106 G N 4.246 112.799 108.800 -0.411 0.000 2.508 106 G HA2 0.011 3.973 3.960 0.002 0.000 0.301 106 G HA3 0.011 3.973 3.960 0.002 0.000 0.301 106 G C 0.164 175.012 174.900 -0.086 0.000 0.965 106 G CA -0.330 44.672 45.100 -0.163 0.000 1.339 106 G HN 0.721 nan 8.290 nan 0.000 0.455 107 N N 0.730 119.536 118.700 0.177 0.000 2.230 107 N HA 0.068 4.810 4.740 0.002 0.000 0.202 107 N C 0.243 175.892 175.510 0.232 0.000 1.119 107 N CA 0.046 53.309 53.050 0.355 0.000 0.851 107 N CB 0.372 39.120 38.487 0.435 0.000 0.990 107 N HN 0.648 nan 8.380 nan 0.000 0.497 108 Q N 0.161 120.018 119.800 0.095 0.000 2.295 108 Q HA 0.356 4.698 4.340 0.002 0.000 0.268 108 Q C -2.120 173.866 176.000 -0.023 0.000 1.010 108 Q CA -0.708 55.094 55.803 -0.000 0.000 0.856 108 Q CB 1.160 29.894 28.738 -0.007 0.000 1.349 108 Q HN 0.010 nan 8.270 nan 0.000 0.412 109 N N 1.683 120.342 118.700 -0.069 0.000 2.503 109 N HA 0.362 5.103 4.740 0.002 0.000 0.287 109 N C -0.393 175.152 175.510 0.058 0.000 1.096 109 N CA 0.358 53.419 53.050 0.017 0.000 0.936 109 N CB 2.009 40.544 38.487 0.080 0.000 1.570 109 N HN 0.668 nan 8.380 nan 0.000 0.504 110 A N 3.166 126.034 122.820 0.080 0.000 2.070 110 A HA -0.077 4.245 4.320 0.002 0.000 0.220 110 A C 1.310 179.034 177.584 0.234 0.000 1.159 110 A CA 1.288 53.412 52.037 0.146 0.000 0.656 110 A CB -0.306 18.749 19.000 0.093 0.000 0.800 110 A HN 0.837 nan 8.150 nan 0.000 0.453 111 N N -0.835 117.995 118.700 0.215 0.000 2.325 111 N HA 0.005 4.747 4.740 0.002 0.000 0.182 111 N C 0.391 176.086 175.510 0.307 0.000 1.088 111 N CA 0.484 53.682 53.050 0.246 0.000 0.879 111 N CB 0.269 38.857 38.487 0.169 0.000 0.983 111 N HN 0.607 nan 8.380 nan 0.000 0.471 112 T N -1.004 113.743 114.554 0.322 0.000 2.754 112 T HA 0.246 4.598 4.350 0.002 0.000 0.286 112 T C -0.125 174.913 174.700 0.563 0.000 0.997 112 T CA -0.214 62.084 62.100 0.330 0.000 0.982 112 T CB 0.589 69.691 68.868 0.389 0.000 1.027 112 T HN -0.189 nan 8.240 nan 0.000 0.529 113 F N 0.310 120.383 119.950 0.206 0.000 2.507 113 F HA 0.603 5.132 4.527 0.003 0.000 0.327 113 F C 0.360 176.008 175.800 -0.252 0.000 1.068 113 F CA -2.136 55.828 58.000 -0.059 0.000 0.965 113 F CB 1.456 40.357 39.000 -0.163 0.000 1.192 113 F HN 0.654 nan 8.300 nan 0.000 0.476 114 V N 0.512 120.279 119.914 -0.244 0.000 2.667 114 V HA 0.687 4.808 4.120 0.002 0.000 0.308 114 V C -0.754 175.007 176.094 -0.555 0.000 1.048 114 V CA -0.534 61.469 62.300 -0.494 0.000 0.928 114 V CB 1.909 33.424 31.823 -0.512 0.000 1.004 114 V HN 0.819 nan 8.190 nan 0.000 0.444 115 N N 2.259 120.416 118.700 -0.905 0.000 2.655 115 N HA 0.416 5.158 4.740 0.002 0.000 0.277 115 N C -2.256 172.831 175.510 -0.706 0.000 1.177 115 N CA -0.175 52.505 53.050 -0.617 0.000 0.882 115 N CB 1.690 39.996 38.487 -0.303 0.000 1.481 115 N HN 0.802 nan 8.380 nan 0.000 0.547 116 Y N 0.197 120.449 120.300 -0.081 0.000 2.553 116 Y HA 0.403 4.955 4.550 0.002 0.000 0.347 116 Y C 0.341 176.195 175.900 -0.076 0.000 1.019 116 Y CA -0.857 57.200 58.100 -0.072 0.000 1.032 116 Y CB 1.109 39.521 38.460 -0.080 0.000 1.284 116 Y HN 0.224 nan 8.280 nan 0.000 0.466 117 Q N 1.691 121.556 119.800 0.108 0.000 2.340 117 Q HA 0.592 4.933 4.340 0.002 0.000 0.249 117 Q C -0.261 175.752 176.000 0.021 0.000 0.957 117 Q CA -0.155 55.667 55.803 0.032 0.000 0.882 117 Q CB 1.648 30.395 28.738 0.015 0.000 1.235 117 Q HN 0.892 nan 8.270 nan 0.000 0.439 118 S N -0.297 115.396 115.700 -0.012 0.000 2.636 118 S HA 0.266 4.737 4.470 0.002 0.000 0.266 118 S C -1.157 173.421 174.600 -0.036 0.000 1.147 118 S CA -0.935 57.249 58.200 -0.027 0.000 0.815 118 S CB 0.830 64.009 63.200 -0.035 0.000 1.119 118 S HN 0.396 nan 8.310 nan 0.000 0.470 119 D N 2.084 122.461 120.400 -0.039 0.000 3.134 119 D HA 0.364 5.006 4.640 0.002 0.000 0.248 119 D C 0.278 176.550 176.300 -0.046 0.000 1.273 119 D CA 0.374 54.351 54.000 -0.038 0.000 0.904 119 D CB 0.118 40.898 40.800 -0.033 0.000 1.089 119 D HN 0.744 nan 8.370 nan 0.000 0.478 120 T N -4.624 109.895 114.554 -0.057 0.000 2.812 120 T HA 0.271 4.623 4.350 0.002 0.000 0.294 120 T C 1.027 175.676 174.700 -0.085 0.000 1.159 120 T CA -0.576 61.481 62.100 -0.072 0.000 1.008 120 T CB 1.629 70.443 68.868 -0.090 0.000 1.289 120 T HN -0.249 nan 8.240 nan 0.000 0.514 121 S N -0.183 115.459 115.700 -0.097 0.000 2.555 121 S HA 0.140 4.611 4.470 0.002 0.000 0.230 121 S C 1.561 176.065 174.600 -0.161 0.000 0.978 121 S CA 0.238 58.375 58.200 -0.105 0.000 0.934 121 S CB -0.699 62.451 63.200 -0.083 0.000 0.766 121 S HN 0.549 nan 8.310 nan 0.000 0.533 122 L N 0.860 121.956 121.223 -0.213 0.000 2.599 122 L HA 0.164 4.505 4.340 0.002 0.000 0.230 122 L C 1.065 177.834 176.870 -0.167 0.000 1.141 122 L CA -0.104 54.575 54.840 -0.270 0.000 0.877 122 L CB -0.196 41.642 42.059 -0.367 0.000 1.009 122 L HN 0.113 nan 8.230 nan 0.000 0.447 123 S N 0.589 116.220 115.700 -0.114 0.000 2.555 123 S HA 0.217 4.688 4.470 0.002 0.000 0.293 123 S C 1.347 175.899 174.600 -0.080 0.000 1.248 123 S CA 0.673 58.829 58.200 -0.074 0.000 1.096 123 S CB 0.050 63.216 63.200 -0.056 0.000 0.881 123 S HN 0.660 nan 8.310 nan 0.000 0.498 124 G N 3.362 112.116 108.800 -0.077 0.000 2.155 124 G HA2 -0.284 3.678 3.960 0.002 0.000 0.257 124 G HA3 -0.284 3.678 3.960 0.002 0.000 0.257 124 G C -0.037 174.792 174.900 -0.118 0.000 0.983 124 G CA 0.649 45.697 45.100 -0.088 0.000 0.676 124 G HN 0.836 nan 8.290 nan 0.000 0.528 125 Q N 0.634 120.346 119.800 -0.147 0.000 2.257 125 Q HA 0.609 4.951 4.340 0.002 0.000 0.255 125 Q C 0.024 175.894 176.000 -0.217 0.000 0.920 125 Q CA -0.398 55.304 55.803 -0.169 0.000 0.927 125 Q CB 0.788 29.416 28.738 -0.184 0.000 1.229 125 Q HN 0.205 nan 8.270 nan 0.000 0.433 126 S N 2.226 117.776 115.700 -0.249 0.000 2.528 126 S HA 0.373 4.845 4.470 0.002 0.000 0.277 126 S C -0.738 173.620 174.600 -0.403 0.000 1.297 126 S CA -0.567 57.415 58.200 -0.363 0.000 1.052 126 S CB 0.995 63.895 63.200 -0.500 0.000 0.917 126 S HN 0.469 nan 8.310 nan 0.000 0.492 127 V N 3.062 122.778 119.914 -0.331 0.000 2.709 127 V HA 0.431 4.553 4.120 0.002 0.000 0.308 127 V C 0.477 176.482 176.094 -0.149 0.000 1.062 127 V CA -1.116 61.078 62.300 -0.176 0.000 0.901 127 V CB 2.072 33.898 31.823 0.005 0.000 1.003 127 V HN 0.989 nan 8.190 nan 0.000 0.425 128 T N 0.632 115.148 114.554 -0.063 0.000 2.900 128 T HA 0.179 4.531 4.350 0.002 0.000 0.307 128 T C 0.920 175.707 174.700 0.144 0.000 1.065 128 T CA 0.227 62.413 62.100 0.143 0.000 1.105 128 T CB 0.385 69.365 68.868 0.187 0.000 0.979 128 T HN 0.479 nan 8.240 nan 0.000 0.544 129 Y N 1.678 122.092 120.300 0.191 0.000 2.165 129 Y HA -0.191 4.361 4.550 0.002 0.000 0.286 129 Y C 2.957 178.879 175.900 0.037 0.000 1.155 129 Y CA 2.110 60.293 58.100 0.138 0.000 1.164 129 Y CB -0.249 38.282 38.460 0.119 0.000 0.978 129 Y HN 0.724 nan 8.280 nan 0.000 0.513 130 R N 0.021 120.640 120.500 0.198 0.000 2.092 130 R HA -0.067 4.275 4.340 0.002 0.000 0.231 130 R C 2.280 178.606 176.300 0.043 0.000 1.119 130 R CA 1.235 57.387 56.100 0.086 0.000 0.970 130 R CB -0.837 29.509 30.300 0.077 0.000 0.864 130 R HN 0.195 nan 8.270 nan 0.000 0.440 131 A N 1.662 124.518 122.820 0.059 0.000 1.898 131 A HA 0.078 4.399 4.320 0.002 0.000 0.216 131 A C 2.542 180.175 177.584 0.081 0.000 1.181 131 A CA 1.351 53.406 52.037 0.030 0.000 0.620 131 A CB -0.714 18.291 19.000 0.008 0.000 0.819 131 A HN 0.516 nan 8.150 nan 0.000 0.442 132 A N -0.100 122.806 122.820 0.143 0.000 1.902 132 A HA -0.164 4.157 4.320 0.002 0.000 0.217 132 A C 2.123 179.824 177.584 0.194 0.000 1.181 132 A CA 1.865 54.045 52.037 0.238 0.000 0.623 132 A CB -0.416 18.776 19.000 0.320 0.000 0.818 132 A HN 0.536 nan 8.150 nan 0.000 0.443 133 K N -0.412 119.959 120.400 -0.047 0.000 2.025 133 K HA -0.012 4.309 4.320 0.002 0.000 0.207 133 K C 2.348 178.761 176.600 -0.312 0.000 1.049 133 K CA 1.056 57.049 56.287 -0.489 0.000 0.933 133 K CB -0.322 31.885 32.500 -0.487 0.000 0.714 133 K HN 0.426 nan 8.250 nan 0.000 0.438 134 A N 1.897 124.637 122.820 -0.133 0.000 1.902 134 A HA -0.219 4.102 4.320 0.002 0.000 0.217 134 A C 1.589 178.975 177.584 -0.330 0.000 1.181 134 A CA 2.044 53.998 52.037 -0.139 0.000 0.623 134 A CB -0.444 18.538 19.000 -0.030 0.000 0.818 134 A HN 0.181 nan 8.150 nan 0.000 0.443 135 D N -0.829 119.470 120.400 -0.167 0.000 2.103 135 D HA -0.058 4.584 4.640 0.002 0.000 0.199 135 D C 2.101 178.290 176.300 -0.186 0.000 0.978 135 D CA 1.794 55.684 54.000 -0.184 0.000 0.829 135 D CB -0.696 40.234 40.800 0.218 0.000 0.981 135 D HN 0.382 nan 8.370 nan 0.000 0.464 136 T N 0.592 115.105 114.554 -0.069 0.000 2.674 136 T HA -0.124 4.227 4.350 0.002 0.000 0.265 136 T C 1.662 176.362 174.700 0.001 0.000 1.039 136 T CA 0.868 62.958 62.100 -0.015 0.000 1.150 136 T CB -0.370 68.484 68.868 -0.022 0.000 0.864 136 T HN 0.048 nan 8.240 nan 0.000 0.427 137 F N 1.482 121.433 119.950 0.002 0.000 2.325 137 F HA 0.204 4.733 4.527 0.002 0.000 0.299 137 F C 2.565 178.239 175.800 -0.210 0.000 1.090 137 F CA 0.009 57.992 58.000 -0.028 0.000 1.392 137 F CB -1.440 37.443 39.000 -0.194 0.000 1.053 137 F HN 0.206 nan 8.300 nan 0.000 0.521 138 G N -0.675 107.857 108.800 -0.447 0.000 2.453 138 G HA2 -0.282 3.679 3.960 0.002 0.000 0.215 138 G HA3 -0.282 3.679 3.960 0.002 0.000 0.215 138 G C 1.479 176.106 174.900 -0.455 0.000 1.201 138 G CA 0.836 45.375 45.100 -0.936 0.000 0.784 138 G HN 0.280 nan 8.290 nan 0.000 0.545 139 Y N -0.075 120.084 120.300 -0.235 0.000 2.242 139 Y HA 0.059 4.610 4.550 0.002 0.000 0.291 139 Y C 2.857 178.800 175.900 0.072 0.000 1.137 139 Y CA 1.099 59.212 58.100 0.021 0.000 1.181 139 Y CB -0.494 38.002 38.460 0.060 0.000 0.989 139 Y HN 0.163 nan 8.280 nan 0.000 0.527 140 M N -0.741 119.004 119.600 0.242 0.000 2.080 140 M HA -0.267 4.214 4.480 0.002 0.000 0.260 140 M C 2.098 178.527 176.300 0.216 0.000 1.068 140 M CA 2.136 57.583 55.300 0.244 0.000 1.109 140 M CB -0.161 32.639 32.600 0.333 0.000 1.342 140 M HN 0.151 nan 8.290 nan 0.000 0.405 141 S N 0.251 116.075 115.700 0.207 0.000 2.368 141 S HA -0.192 4.279 4.470 0.002 0.000 0.224 141 S C 1.658 176.343 174.600 0.143 0.000 1.029 141 S CA 1.624 59.929 58.200 0.175 0.000 0.988 141 S CB -0.417 62.878 63.200 0.157 0.000 0.838 141 S HN 0.601 nan 8.310 nan 0.000 0.462 142 E N 1.133 121.422 120.200 0.149 0.000 2.058 142 E HA -0.176 4.176 4.350 0.002 0.000 0.194 142 E C 1.955 178.643 176.600 0.147 0.000 0.997 142 E CA 1.092 57.588 56.400 0.159 0.000 0.801 142 E CB -0.194 29.640 29.700 0.224 0.000 0.746 142 E HN 0.428 nan 8.360 nan 0.000 0.450 143 L N 0.321 121.639 121.223 0.159 0.000 2.056 143 L HA -0.174 4.167 4.340 0.002 0.000 0.207 143 L C 2.669 179.603 176.870 0.106 0.000 1.078 143 L CA 0.488 55.405 54.840 0.127 0.000 0.749 143 L CB -0.364 41.771 42.059 0.127 0.000 0.901 143 L HN 0.275 nan 8.230 nan 0.000 0.433 144 L N 0.256 121.548 121.223 0.115 0.000 2.093 144 L HA -0.193 4.149 4.340 0.002 0.000 0.208 144 L C 2.499 179.422 176.870 0.088 0.000 1.085 144 L CA 1.745 56.644 54.840 0.099 0.000 0.755 144 L CB -0.602 41.523 42.059 0.110 0.000 0.904 144 L HN 0.135 nan 8.230 nan 0.000 0.435 145 K N -0.367 120.090 120.400 0.095 0.000 2.057 145 K HA -0.245 4.076 4.320 0.002 0.000 0.207 145 K C 2.301 178.943 176.600 0.071 0.000 1.049 145 K CA 1.587 57.923 56.287 0.082 0.000 0.931 145 K CB -0.154 32.397 32.500 0.084 0.000 0.714 145 K HN 0.313 nan 8.250 nan 0.000 0.440 146 K N 0.211 120.657 120.400 0.076 0.000 2.032 146 K HA -0.156 4.165 4.320 0.002 0.000 0.209 146 K C 1.983 178.616 176.600 0.054 0.000 1.048 146 K CA 1.424 57.750 56.287 0.065 0.000 0.927 146 K CB -0.249 32.294 32.500 0.072 0.000 0.712 146 K HN 0.224 nan 8.250 nan 0.000 0.441 147 A N 0.618 123.472 122.820 0.056 0.000 1.902 147 A HA -0.129 4.193 4.320 0.002 0.000 0.217 147 A C 2.185 179.794 177.584 0.041 0.000 1.181 147 A CA 2.165 54.230 52.037 0.047 0.000 0.623 147 A CB -0.994 18.035 19.000 0.048 0.000 0.818 147 A HN 0.478 nan 8.150 nan 0.000 0.443 148 T N 0.296 114.877 114.554 0.046 0.000 2.708 148 T HA -0.130 4.221 4.350 0.002 0.000 0.266 148 T C 1.510 176.232 174.700 0.036 0.000 1.037 148 T CA 1.585 63.709 62.100 0.040 0.000 1.146 148 T CB -0.451 68.445 68.868 0.046 0.000 0.865 148 T HN 0.453 nan 8.240 nan 0.000 0.435 149 D N 0.850 121.273 120.400 0.039 0.000 2.178 149 D HA -0.090 4.551 4.640 0.002 0.000 0.201 149 D C 2.105 178.422 176.300 0.029 0.000 0.980 149 D CA 0.860 54.881 54.000 0.034 0.000 0.842 149 D CB -0.342 40.480 40.800 0.037 0.000 0.948 149 D HN 0.450 nan 8.370 nan 0.000 0.472 150 Q N -0.474 119.344 119.800 0.031 0.000 2.291 150 Q HA -0.036 4.305 4.340 0.002 0.000 0.205 150 Q C 0.964 176.977 176.000 0.023 0.000 0.970 150 Q CA 1.208 57.027 55.803 0.027 0.000 0.876 150 Q CB 0.170 28.925 28.738 0.029 0.000 0.935 150 Q HN 0.335 nan 8.270 nan 0.000 0.455 151 G N -1.220 107.594 108.800 0.023 0.000 2.159 151 G HA2 -0.299 3.663 3.960 0.002 0.000 0.227 151 G HA3 -0.299 3.663 3.960 0.002 0.000 0.227 151 G C 0.692 175.603 174.900 0.018 0.000 0.986 151 G CA 0.367 45.478 45.100 0.019 0.000 0.651 151 G HN 0.502 nan 8.290 nan 0.000 0.523 152 A N -0.403 122.429 122.820 0.021 0.000 2.070 152 A HA 0.407 4.729 4.320 0.002 0.000 0.220 152 A C 1.934 179.528 177.584 0.018 0.000 1.159 152 A CA 1.652 53.701 52.037 0.020 0.000 0.656 152 A CB -0.167 18.847 19.000 0.024 0.000 0.800 152 A HN 0.947 nan 8.150 nan 0.000 0.453 153 L N -0.942 120.292 121.223 0.018 0.000 3.014 153 L HA 0.173 4.515 4.340 0.002 0.000 0.263 153 L C 0.469 177.346 176.870 0.011 0.000 1.207 153 L CA -0.253 54.595 54.840 0.015 0.000 1.017 153 L CB 0.294 42.364 42.059 0.017 0.000 1.360 153 L HN 0.047 nan 8.230 nan 0.000 0.560 154 D N 0.423 120.830 120.400 0.011 0.000 2.263 154 D HA -0.139 4.502 4.640 0.002 0.000 0.208 154 D C 1.959 178.262 176.300 0.006 0.000 0.971 154 D CA 1.002 55.007 54.000 0.009 0.000 0.867 154 D CB 0.274 41.080 40.800 0.010 0.000 0.929 154 D HN 0.262 nan 8.370 nan 0.000 0.492 155 Q N -0.243 119.560 119.800 0.005 0.000 2.432 155 Q HA 0.020 4.361 4.340 0.002 0.000 0.205 155 Q C 1.968 177.968 176.000 0.000 0.000 0.945 155 Q CA 0.415 56.220 55.803 0.003 0.000 0.924 155 Q CB 0.439 29.179 28.738 0.003 0.000 1.016 155 Q HN 0.415 nan 8.270 nan 0.000 0.503 156 V N -4.282 115.632 119.914 0.000 0.000 3.548 156 V HA 0.357 4.479 4.120 0.002 0.000 0.279 156 V C 0.565 176.656 176.094 -0.006 0.000 1.446 156 V CA -0.039 62.258 62.300 -0.004 0.000 1.023 156 V CB 0.246 32.066 31.823 -0.004 0.000 0.820 156 V HN -0.012 nan 8.190 nan 0.000 0.438 157 L N 2.236 123.457 121.223 -0.002 0.000 2.385 157 L HA 0.694 5.035 4.340 0.002 0.000 0.273 157 L C 0.389 177.259 176.870 -0.000 0.000 0.990 157 L CA -0.423 54.415 54.840 -0.003 0.000 0.821 157 L CB 2.276 44.336 42.059 0.001 0.000 1.279 157 L HN 0.305 nan 8.230 nan 0.000 0.412 158 S N 1.400 117.099 115.700 -0.003 0.000 2.624 158 S HA 0.216 4.687 4.470 0.002 0.000 0.263 158 S C 0.978 175.580 174.600 0.003 0.000 1.287 158 S CA -0.436 57.764 58.200 -0.000 0.000 0.990 158 S CB 1.447 64.646 63.200 -0.003 0.000 0.950 158 S HN 0.706 nan 8.310 nan 0.000 0.561 159 R N 0.860 121.363 120.500 0.005 0.000 2.103 159 R HA -0.114 4.227 4.340 0.002 0.000 0.242 159 R C 1.820 178.125 176.300 0.009 0.000 1.142 159 R CA 2.201 58.306 56.100 0.008 0.000 0.960 159 R CB -1.007 29.298 30.300 0.008 0.000 0.858 159 R HN 0.840 nan 8.270 nan 0.000 0.439 160 E N 0.161 120.364 120.200 0.005 0.000 2.107 160 E HA -0.103 4.248 4.350 0.002 0.000 0.191 160 E C 1.607 178.209 176.600 0.004 0.000 0.982 160 E CA 1.456 57.859 56.400 0.005 0.000 0.809 160 E CB -0.176 29.524 29.700 0.001 0.000 0.756 160 E HN 0.378 nan 8.360 nan 0.000 0.459 161 D N 0.617 121.017 120.400 -0.000 0.000 2.117 161 D HA -0.137 4.505 4.640 0.002 0.000 0.197 161 D C 1.628 177.932 176.300 0.006 0.000 0.987 161 D CA 1.088 55.085 54.000 -0.004 0.000 0.829 161 D CB -0.129 40.665 40.800 -0.010 0.000 0.961 161 D HN 0.134 nan 8.370 nan 0.000 0.460 162 K N 0.400 120.807 120.400 0.012 0.000 2.057 162 K HA -0.117 4.204 4.320 0.002 0.000 0.207 162 K C 1.637 178.256 176.600 0.032 0.000 1.049 162 K CA 1.155 57.456 56.287 0.023 0.000 0.931 162 K CB 0.049 32.562 32.500 0.021 0.000 0.714 162 K HN 0.063 nan 8.250 nan 0.000 0.440 163 D N 0.573 120.989 120.400 0.027 0.000 2.117 163 D HA -0.113 4.528 4.640 0.002 0.000 0.198 163 D C 1.862 178.187 176.300 0.042 0.000 0.982 163 D CA 1.295 55.314 54.000 0.032 0.000 0.828 163 D CB -0.213 40.602 40.800 0.024 0.000 0.967 163 D HN 0.207 nan 8.370 nan 0.000 0.464 164 A N 0.812 123.653 122.820 0.034 0.000 1.877 164 A HA -0.132 4.189 4.320 0.002 0.000 0.216 164 A C 2.159 179.786 177.584 0.072 0.000 1.186 164 A CA 1.004 53.066 52.037 0.041 0.000 0.620 164 A CB -0.743 18.264 19.000 0.012 0.000 0.822 164 A HN 0.237 nan 8.150 nan 0.000 0.443 165 L N 0.094 121.352 121.223 0.059 0.000 2.017 165 L HA -0.115 4.227 4.340 0.002 0.000 0.208 165 L C 2.507 179.468 176.870 0.151 0.000 1.073 165 L CA 2.613 57.511 54.840 0.097 0.000 0.745 165 L CB -0.733 41.360 42.059 0.056 0.000 0.894 165 L HN 0.296 nan 8.230 nan 0.000 0.432 166 S N -0.547 115.214 115.700 0.101 0.000 2.370 166 S HA -0.269 4.203 4.470 0.002 0.000 0.226 166 S C 1.853 176.510 174.600 0.094 0.000 1.033 166 S CA 1.516 59.770 58.200 0.090 0.000 1.011 166 S CB -0.407 62.831 63.200 0.063 0.000 0.852 166 S HN 0.633 nan 8.310 nan 0.000 0.457 167 E N 0.266 120.524 120.200 0.097 0.000 2.058 167 E HA -0.223 4.129 4.350 0.002 0.000 0.194 167 E C 1.894 178.566 176.600 0.119 0.000 0.997 167 E CA 1.289 57.744 56.400 0.092 0.000 0.801 167 E CB -0.254 29.499 29.700 0.087 0.000 0.746 167 E HN 0.521 nan 8.360 nan 0.000 0.450 168 F N 1.275 121.240 119.950 0.025 0.000 2.102 168 F HA -0.153 4.375 4.527 0.002 0.000 0.298 168 F C 1.916 177.763 175.800 0.078 0.000 1.105 168 F CA 1.424 59.442 58.000 0.031 0.000 1.239 168 F CB -0.211 38.776 39.000 -0.021 0.000 0.991 168 F HN 0.009 nan 8.300 nan 0.000 0.474 169 L N -0.755 120.474 121.223 0.009 0.000 2.093 169 L HA -0.202 4.140 4.340 0.002 0.000 0.208 169 L C 2.768 179.615 176.870 -0.038 0.000 1.085 169 L CA 1.420 56.236 54.840 -0.039 0.000 0.755 169 L CB -1.077 41.043 42.059 0.101 0.000 0.904 169 L HN 0.233 nan 8.230 nan 0.000 0.435 170 S N -0.494 115.202 115.700 -0.006 0.000 2.370 170 S HA -0.254 4.217 4.470 0.002 0.000 0.226 170 S C 1.829 176.409 174.600 -0.032 0.000 1.033 170 S CA 1.817 60.017 58.200 0.001 0.000 1.011 170 S CB -0.212 62.999 63.200 0.018 0.000 0.852 170 S HN 0.455 nan 8.310 nan 0.000 0.457 171 D N -0.583 119.776 120.400 -0.069 0.000 2.110 171 D HA -0.079 4.563 4.640 0.002 0.000 0.202 171 D C 1.840 178.057 176.300 -0.138 0.000 0.975 171 D CA 0.887 54.837 54.000 -0.083 0.000 0.839 171 D CB -0.327 40.439 40.800 -0.058 0.000 0.996 171 D HN 0.454 nan 8.370 nan 0.000 0.464 172 F N 1.265 120.939 119.950 -0.461 0.000 2.161 172 F HA -0.032 4.497 4.527 0.002 0.000 0.300 172 F C 2.118 177.768 175.800 -0.249 0.000 1.089 172 F CA 2.024 59.724 58.000 -0.500 0.000 1.282 172 F CB -0.253 38.151 39.000 -0.993 0.000 1.010 172 F HN 0.008 nan 8.300 nan 0.000 0.485 173 G N -1.340 107.384 108.800 -0.127 0.000 3.042 173 G HA2 -0.058 3.903 3.960 0.002 0.000 0.212 173 G HA3 -0.058 3.903 3.960 0.002 0.000 0.212 173 G C -0.043 174.822 174.900 -0.059 0.000 1.166 173 G CA 0.535 45.566 45.100 -0.116 0.000 0.767 173 G HN 0.328 nan 8.290 nan 0.000 0.546 174 D N -0.310 120.060 120.400 -0.049 0.000 2.697 174 D HA -0.161 4.480 4.640 0.002 0.000 0.238 174 D C 0.470 176.810 176.300 0.067 0.000 1.152 174 D CA 0.324 54.328 54.000 0.007 0.000 0.666 174 D CB -1.429 39.380 40.800 0.015 0.000 1.037 174 D HN 0.287 nan 8.370 nan 0.000 0.423 175 L N 0.231 121.487 121.223 0.054 0.000 2.436 175 L HA 0.279 4.620 4.340 0.002 0.000 0.265 175 L C 1.614 178.500 176.870 0.026 0.000 1.168 175 L CA -0.433 54.448 54.840 0.068 0.000 0.815 175 L CB 0.906 43.005 42.059 0.067 0.000 1.109 175 L HN 0.249 nan 8.230 nan 0.000 0.462 176 S N -0.288 115.419 115.700 0.012 0.000 2.587 176 S HA -0.006 4.466 4.470 0.002 0.000 0.260 176 S C 0.644 175.249 174.600 0.007 0.000 1.353 176 S CA -0.560 57.637 58.200 -0.005 0.000 0.995 176 S CB 0.686 63.877 63.200 -0.016 0.000 0.912 176 S HN 0.607 nan 8.310 nan 0.000 0.568 177 D N 1.066 121.467 120.400 0.001 0.000 2.182 177 D HA -0.096 4.546 4.640 0.002 0.000 0.201 177 D C 1.122 177.431 176.300 0.014 0.000 0.986 177 D CA 1.558 55.562 54.000 0.007 0.000 0.847 177 D CB -0.399 40.402 40.800 0.002 0.000 0.942 177 D HN 0.865 nan 8.370 nan 0.000 0.467 178 D N -1.152 119.257 120.400 0.015 0.000 2.358 178 D HA 0.160 4.801 4.640 0.002 0.000 0.224 178 D C 1.296 177.616 176.300 0.033 0.000 1.123 178 D CA 0.384 54.397 54.000 0.021 0.000 0.833 178 D CB -0.034 40.777 40.800 0.017 0.000 0.946 178 D HN 0.190 nan 8.370 nan 0.000 0.505 179 G N 0.595 109.418 108.800 0.038 0.000 2.141 179 G HA2 -0.276 3.685 3.960 0.002 0.000 0.231 179 G HA3 -0.276 3.685 3.960 0.002 0.000 0.231 179 G C 0.081 175.026 174.900 0.075 0.000 0.984 179 G CA -0.323 44.810 45.100 0.055 0.000 0.660 179 G HN 0.447 nan 8.290 nan 0.000 0.525 180 R N -0.723 119.816 120.500 0.066 0.000 2.474 180 R HA 0.513 4.854 4.340 0.002 0.000 0.295 180 R C -0.525 175.830 176.300 0.091 0.000 0.980 180 R CA -0.935 55.218 56.100 0.088 0.000 0.934 180 R CB 1.240 31.575 30.300 0.058 0.000 1.101 180 R HN 0.190 nan 8.270 nan 0.000 0.469 181 Y N 3.430 123.716 120.300 -0.024 0.000 2.436 181 Y HA 0.161 4.712 4.550 0.002 0.000 0.343 181 Y C 0.018 175.836 175.900 -0.137 0.000 1.008 181 Y CA -0.254 57.757 58.100 -0.149 0.000 1.241 181 Y CB 0.381 38.619 38.460 -0.370 0.000 1.153 181 Y HN 0.522 nan 8.280 nan 0.000 0.521 182 L N 6.237 127.042 121.223 -0.697 0.000 3.122 182 L HA 0.475 4.816 4.340 0.002 0.000 0.274 182 L C 0.706 177.159 176.870 -0.694 0.000 1.222 182 L CA 0.170 54.683 54.840 -0.546 0.000 1.028 182 L CB -0.195 41.711 42.059 -0.256 0.000 1.386 182 L HN 0.961 nan 8.230 nan 0.000 0.578 183 G N 0.116 108.143 108.800 -1.288 0.000 2.525 183 G HA2 0.034 3.996 3.960 0.002 0.000 0.685 183 G HA3 0.034 3.996 3.960 0.002 0.000 0.685 183 G C -0.872 173.818 174.900 -0.350 0.000 1.290 183 G CA -0.150 44.511 45.100 -0.732 0.000 0.915 183 G HN 0.128 nan 8.290 nan 0.000 0.548 184 S N -1.891 113.707 115.700 -0.170 0.000 2.558 184 S HA 0.652 5.123 4.470 0.002 0.000 0.277 184 S C 1.277 175.787 174.600 -0.150 0.000 1.143 184 S CA 0.808 58.956 58.200 -0.087 0.000 0.865 184 S CB 0.981 64.205 63.200 0.041 0.000 1.102 184 S HN 2.424 nan 8.310 nan 0.000 0.454 185 S N 3.320 118.935 115.700 -0.143 0.000 2.440 185 S HA -0.116 4.355 4.470 0.002 0.000 0.238 185 S C 1.511 176.029 174.600 -0.136 0.000 1.010 185 S CA 0.906 58.982 58.200 -0.206 0.000 0.972 185 S CB -0.450 62.745 63.200 -0.008 0.000 0.774 185 S HN 0.749 nan 8.310 nan 0.000 0.501 186 R N 1.101 121.560 120.500 -0.067 0.000 2.193 186 R HA 0.095 4.436 4.340 0.002 0.000 0.229 186 R C 2.465 178.738 176.300 -0.045 0.000 1.110 186 R CA 1.180 57.259 56.100 -0.034 0.000 0.988 186 R CB -0.277 30.004 30.300 -0.033 0.000 0.871 186 R HN 0.496 nan 8.270 nan 0.000 0.458 187 R N 0.283 120.728 120.500 -0.091 0.000 2.235 187 R HA 0.047 4.388 4.340 0.002 0.000 0.213 187 R C 0.972 177.214 176.300 -0.097 0.000 1.059 187 R CA 0.585 56.630 56.100 -0.092 0.000 0.997 187 R CB -0.006 30.212 30.300 -0.137 0.000 0.884 187 R HN 0.324 nan 8.270 nan 0.000 0.462 188 G N -0.143 108.566 108.800 -0.151 0.000 2.660 188 G HA2 -0.263 3.699 3.960 0.002 0.000 0.247 188 G HA3 -0.263 3.699 3.960 0.002 0.000 0.247 188 G C -1.237 173.491 174.900 -0.288 0.000 1.328 188 G CA -0.785 44.272 45.100 -0.072 0.000 0.884 188 G HN 0.205 nan 8.290 nan 0.000 0.531 189 Y N -0.276 120.027 120.300 0.007 0.000 2.457 189 Y HA 0.480 5.031 4.550 0.002 0.000 0.343 189 Y C 0.852 176.756 175.900 0.008 0.000 0.994 189 Y CA -0.679 57.424 58.100 0.004 0.000 1.031 189 Y CB 2.284 40.752 38.460 0.013 0.000 1.246 189 Y HN 0.480 nan 8.280 nan 0.000 0.449 190 D N 0.487 120.970 120.400 0.138 0.000 2.234 190 D HA -0.039 4.603 4.640 0.002 0.000 0.205 190 D C 0.133 176.493 176.300 0.101 0.000 0.962 190 D CA 1.037 55.091 54.000 0.090 0.000 0.855 190 D CB 0.569 41.396 40.800 0.045 0.000 0.951 190 D HN 0.235 nan 8.370 nan 0.000 0.500 191 S N 0.055 115.837 115.700 0.136 0.000 2.594 191 S HA 0.233 4.704 4.470 0.002 0.000 0.296 191 S C -0.968 173.668 174.600 0.060 0.000 1.124 191 S CA -0.679 57.572 58.200 0.084 0.000 1.011 191 S CB 1.917 65.153 63.200 0.061 0.000 1.016 191 S HN -0.131 nan 8.310 nan 0.000 0.485 192 E N 4.466 124.657 120.200 -0.014 0.000 2.324 192 E HA 0.351 4.703 4.350 0.002 0.000 0.271 192 E C -2.445 174.034 176.600 -0.202 0.000 1.028 192 E CA -1.493 54.826 56.400 -0.135 0.000 0.890 192 E CB 0.517 30.168 29.700 -0.081 0.000 1.004 192 E HN 0.286 nan 8.360 nan 0.000 0.431 193 P HA 0.120 nan 4.420 nan 0.000 0.264 193 P C -0.338 176.871 177.300 -0.152 0.000 1.193 193 P CA 0.193 63.145 63.100 -0.246 0.000 0.763 193 P CB 1.245 32.744 31.700 -0.336 0.000 0.810 194 G N 1.253 109.989 108.800 -0.106 0.000 3.302 194 G HA2 0.691 4.653 3.960 0.002 0.000 0.170 194 G HA3 0.691 4.653 3.960 0.002 0.000 0.170 194 G C -1.040 173.812 174.900 -0.080 0.000 1.119 194 G CA -0.233 44.813 45.100 -0.089 0.000 0.826 194 G HN 0.610 nan 8.290 nan 0.000 0.646 195 A N -1.927 120.842 122.820 -0.085 0.000 2.269 195 A HA 0.783 5.104 4.320 0.002 0.000 0.327 195 A C 1.197 178.712 177.584 -0.115 0.000 1.112 195 A CA 0.865 52.857 52.037 -0.076 0.000 0.865 195 A CB 0.298 19.262 19.000 -0.060 0.000 1.227 195 A HN 2.529 nan 8.150 nan 0.000 0.498 196 G N -0.811 107.933 108.800 -0.093 0.000 2.622 196 G HA2 -0.261 3.700 3.960 0.002 0.000 0.307 196 G HA3 -0.261 3.700 3.960 0.002 0.000 0.307 196 G C 0.561 175.315 174.900 -0.244 0.000 1.226 196 G CA 0.683 45.711 45.100 -0.121 0.000 0.997 196 G HN 1.254 nan 8.290 nan 0.000 0.551 197 L N 1.338 122.338 121.223 -0.373 0.000 2.629 197 L HA 0.241 4.582 4.340 0.002 0.000 0.230 197 L C 1.077 177.304 176.870 -1.072 0.000 1.151 197 L CA 0.134 54.476 54.840 -0.829 0.000 0.924 197 L CB -0.242 41.542 42.059 -0.458 0.000 1.137 197 L HN 0.404 nan 8.230 nan 0.000 0.457 198 N N 0.574 118.919 118.700 -0.591 0.000 2.895 198 N HA 0.027 4.769 4.740 0.002 0.000 0.277 198 N C 0.630 175.967 175.510 -0.289 0.000 1.185 198 N CA -0.135 52.693 53.050 -0.371 0.000 1.106 198 N CB 0.042 38.411 38.487 -0.197 0.000 1.422 198 N HN 0.009 nan 8.380 nan 0.000 0.521 199 F N 1.109 121.047 119.950 -0.021 0.000 2.558 199 F HA 0.251 4.779 4.527 0.002 0.000 0.298 199 F C 2.008 177.792 175.800 -0.026 0.000 1.119 199 F CA 0.586 58.575 58.000 -0.018 0.000 1.451 199 F CB -0.783 38.223 39.000 0.010 0.000 1.091 199 F HN 0.445 nan 8.300 nan 0.000 0.563 200 G N 0.325 109.193 108.800 0.115 0.000 2.782 200 G HA2 -0.018 3.943 3.960 0.002 0.000 0.228 200 G HA3 -0.018 3.943 3.960 0.002 0.000 0.228 200 G C -0.326 174.711 174.900 0.228 0.000 1.372 200 G CA -0.454 44.706 45.100 0.099 0.000 0.862 200 G HN 0.622 nan 8.290 nan 0.000 0.547 201 T N -2.144 112.585 114.554 0.292 0.000 2.949 201 T HA 0.653 5.005 4.350 0.002 0.000 0.300 201 T C -0.325 174.496 174.700 0.203 0.000 0.988 201 T CA -0.293 61.937 62.100 0.216 0.000 0.993 201 T CB 1.917 70.854 68.868 0.114 0.000 0.984 201 T HN 0.757 nan 8.240 nan 0.000 0.442 202 E N 2.303 122.509 120.200 0.011 0.000 2.398 202 E HA 0.140 4.492 4.350 0.002 0.000 0.263 202 E C -0.005 176.476 176.600 -0.198 0.000 1.046 202 E CA -0.358 55.848 56.400 -0.323 0.000 0.908 202 E CB 0.852 30.342 29.700 -0.350 0.000 0.963 202 E HN 0.515 nan 8.360 nan 0.000 0.431 203 K N 2.908 123.165 120.400 -0.238 0.000 2.368 203 K HA 0.088 4.410 4.320 0.002 0.000 0.282 203 K C -0.024 176.441 176.600 -0.226 0.000 1.035 203 K CA 0.110 56.284 56.287 -0.187 0.000 0.973 203 K CB 0.572 32.966 32.500 -0.176 0.000 0.957 203 K HN 0.206 nan 8.250 nan 0.000 0.474 204 K N 3.884 124.156 120.400 -0.214 0.000 2.185 204 K HA 0.199 4.521 4.320 0.002 0.000 0.271 204 K C -2.110 174.296 176.600 -0.323 0.000 1.013 204 K CA -1.652 54.502 56.287 -0.222 0.000 0.943 204 K CB 0.436 32.844 32.500 -0.154 0.000 0.998 204 K HN 0.426 nan 8.250 nan 0.000 0.468 205 P HA 0.092 nan 4.420 nan 0.000 0.274 205 P C -0.671 176.523 177.300 -0.176 0.000 1.231 205 P CA -0.172 62.787 63.100 -0.235 0.000 0.790 205 P CB 0.395 32.008 31.700 -0.143 0.000 0.951 206 F N 0.370 120.412 119.950 0.153 0.000 2.403 206 F HA 0.406 4.935 4.527 0.002 0.000 0.320 206 F C 1.429 177.376 175.800 0.245 0.000 1.176 206 F CA -0.467 57.622 58.000 0.148 0.000 1.206 206 F CB -0.347 38.722 39.000 0.115 0.000 1.235 206 F HN 0.322 nan 8.300 nan 0.000 0.565 207 A N 2.125 125.145 122.820 0.334 0.000 2.332 207 A HA 0.316 4.638 4.320 0.002 0.000 0.258 207 A C 1.283 178.805 177.584 -0.103 0.000 1.087 207 A CA -0.508 51.615 52.037 0.143 0.000 0.802 207 A CB 0.263 19.300 19.000 0.062 0.000 1.042 207 A HN 1.013 nan 8.150 nan 0.000 0.489 208 M N 0.197 119.459 119.600 -0.564 0.000 2.065 208 M HA -0.224 4.257 4.480 0.002 0.000 0.259 208 M C 2.175 178.251 176.300 -0.373 0.000 1.069 208 M CA 2.431 57.127 55.300 -1.005 0.000 1.110 208 M CB -0.282 31.733 32.600 -0.975 0.000 1.328 208 M HN 0.969 nan 8.290 nan 0.000 0.405 209 Q N 0.101 119.773 119.800 -0.214 0.000 2.084 209 Q HA -0.231 4.111 4.340 0.002 0.000 0.202 209 Q C 1.649 177.598 176.000 -0.086 0.000 0.978 209 Q CA 2.090 57.822 55.803 -0.118 0.000 0.844 209 Q CB -0.121 28.570 28.738 -0.079 0.000 0.898 209 Q HN 0.643 nan 8.270 nan 0.000 0.426 210 E N -0.433 119.724 120.200 -0.071 0.000 2.070 210 E HA -0.214 4.138 4.350 0.002 0.000 0.197 210 E C 2.091 178.656 176.600 -0.057 0.000 1.004 210 E CA 1.701 58.064 56.400 -0.062 0.000 0.805 210 E CB -0.071 29.601 29.700 -0.047 0.000 0.744 210 E HN 0.210 nan 8.360 nan 0.000 0.451 211 V N 1.428 121.337 119.914 -0.009 0.000 2.295 211 V HA -0.269 3.853 4.120 0.002 0.000 0.246 211 V C 2.274 178.367 176.094 -0.003 0.000 1.049 211 V CA 1.659 63.987 62.300 0.047 0.000 1.024 211 V CB -0.402 31.541 31.823 0.199 0.000 0.648 211 V HN 0.262 nan 8.190 nan 0.000 0.447 212 I N -0.604 119.949 120.570 -0.027 0.000 2.179 212 I HA -0.191 3.980 4.170 0.002 0.000 0.242 212 I C 2.630 178.719 176.117 -0.045 0.000 1.088 212 I CA 1.352 62.635 61.300 -0.029 0.000 1.357 212 I CB -0.406 37.575 38.000 -0.032 0.000 1.051 212 I HN 0.198 nan 8.210 nan 0.000 0.409 213 R N 0.642 121.111 120.500 -0.051 0.000 2.236 213 R HA -0.020 4.322 4.340 0.002 0.000 0.208 213 R C 2.353 178.617 176.300 -0.061 0.000 1.036 213 R CA 1.250 57.318 56.100 -0.053 0.000 1.001 213 R CB -0.616 29.654 30.300 -0.050 0.000 0.896 213 R HN 0.481 nan 8.270 nan 0.000 0.464 214 S N -0.468 115.193 115.700 -0.066 0.000 2.461 214 S HA -0.006 4.466 4.470 0.002 0.000 0.228 214 S C 1.492 176.056 174.600 -0.060 0.000 1.005 214 S CA 0.708 58.869 58.200 -0.064 0.000 0.942 214 S CB -0.103 63.046 63.200 -0.084 0.000 0.776 214 S HN 0.424 nan 8.310 nan 0.000 0.514 215 G N 2.260 111.002 108.800 -0.097 0.000 2.225 215 G HA2 -0.300 3.661 3.960 0.002 0.000 0.267 215 G HA3 -0.300 3.661 3.960 0.002 0.000 0.267 215 G C 0.536 175.309 174.900 -0.211 0.000 1.024 215 G CA 0.495 45.489 45.100 -0.176 0.000 0.784 215 G HN 1.077 nan 8.290 nan 0.000 0.507 216 I N -2.784 117.734 120.570 -0.087 0.000 2.916 216 I HA 0.220 4.391 4.170 0.002 0.000 0.267 216 I C 1.895 177.835 176.117 -0.294 0.000 1.263 216 I CA 1.164 62.477 61.300 0.021 0.000 1.471 216 I CB -0.222 37.810 38.000 0.053 0.000 1.089 216 I HN 0.121 nan 8.210 nan 0.000 0.468 217 G N 1.988 110.406 108.800 -0.635 0.000 3.141 217 G HA2 0.033 3.995 3.960 0.002 0.000 0.218 217 G HA3 0.033 3.995 3.960 0.002 0.000 0.218 217 G C 1.646 175.992 174.900 -0.923 0.000 1.170 217 G CA 0.018 44.186 45.100 -1.552 0.000 0.769 217 G HN 0.568 nan 8.290 nan 0.000 0.546 218 R N -0.036 120.145 120.500 -0.533 0.000 2.193 218 R HA 0.018 4.360 4.340 0.002 0.000 0.229 218 R C 1.488 177.692 176.300 -0.160 0.000 1.110 218 R CA 1.353 57.250 56.100 -0.340 0.000 0.988 218 R CB -0.428 29.603 30.300 -0.449 0.000 0.871 218 R HN 0.329 nan 8.270 nan 0.000 0.458 219 N N -0.462 118.202 118.700 -0.060 0.000 2.236 219 N HA 0.015 4.756 4.740 0.002 0.000 0.196 219 N C 0.411 176.166 175.510 0.409 0.000 1.114 219 N CA -0.231 52.945 53.050 0.211 0.000 0.859 219 N CB 0.240 38.926 38.487 0.331 0.000 0.982 219 N HN 0.075 nan 8.380 nan 0.000 0.493 220 F N 1.739 121.805 119.950 0.194 0.000 2.171 220 F HA -0.115 4.413 4.527 0.002 0.000 0.300 220 F C 2.820 178.575 175.800 -0.076 0.000 1.090 220 F CA 0.756 58.836 58.000 0.134 0.000 1.293 220 F CB -1.174 37.928 39.000 0.169 0.000 1.013 220 F HN 0.091 nan 8.300 nan 0.000 0.486 221 S N -0.263 115.547 115.700 0.183 0.000 2.474 221 S HA -0.224 4.247 4.470 0.002 0.000 0.235 221 S C 1.965 176.585 174.600 0.034 0.000 0.997 221 S CA 0.356 58.576 58.200 0.033 0.000 0.949 221 S CB -1.560 61.799 63.200 0.266 0.000 0.766 221 S HN 0.316 nan 8.310 nan 0.000 0.517 222 F N 3.363 123.326 119.950 0.021 0.000 2.154 222 F HA -0.161 4.367 4.527 0.002 0.000 0.301 222 F C 1.504 177.299 175.800 -0.009 0.000 1.087 222 F CA 1.947 59.980 58.000 0.055 0.000 1.274 222 F CB -0.524 38.541 39.000 0.108 0.000 1.009 222 F HN 0.135 nan 8.300 nan 0.000 0.485 223 D N -0.213 120.142 120.400 -0.075 0.000 2.265 223 D HA -0.185 4.457 4.640 0.002 0.000 0.208 223 D C 1.702 177.934 176.300 -0.113 0.000 0.977 223 D CA 1.253 55.151 54.000 -0.170 0.000 0.871 223 D CB -0.399 40.229 40.800 -0.287 0.000 0.925 223 D HN 0.328 nan 8.370 nan 0.000 0.485 224 F N 0.216 120.175 119.950 0.015 0.000 2.749 224 F HA 0.299 4.827 4.527 0.003 0.000 0.300 224 F C 1.787 177.565 175.800 -0.038 0.000 1.103 224 F CA -0.745 57.260 58.000 0.009 0.000 1.342 224 F CB -0.727 38.311 39.000 0.063 0.000 1.098 224 F HN -0.259 nan 8.300 nan 0.000 0.586 225 G N -0.435 108.368 108.800 0.005 0.000 2.353 225 G HA2 -0.142 3.819 3.960 0.002 0.000 0.239 225 G HA3 -0.142 3.819 3.960 0.002 0.000 0.239 225 G C 0.658 175.539 174.900 -0.032 0.000 1.295 225 G CA -0.141 44.937 45.100 -0.037 0.000 0.884 225 G HN 0.320 nan 8.290 nan 0.000 0.537 226 Y N 1.124 121.370 120.300 -0.091 0.000 2.151 226 Y HA -0.179 4.372 4.550 0.003 0.000 0.284 226 Y C 2.012 177.766 175.900 -0.243 0.000 1.166 226 Y CA 2.332 60.353 58.100 -0.131 0.000 1.163 226 Y CB 0.349 38.740 38.460 -0.115 0.000 0.974 226 Y HN 0.524 nan 8.280 nan 0.000 0.511 227 D N -0.879 119.275 120.400 -0.410 0.000 2.339 227 D HA -0.030 4.611 4.640 0.002 0.000 0.217 227 D C 1.272 177.249 176.300 -0.540 0.000 1.050 227 D CA 0.405 53.949 54.000 -0.760 0.000 0.856 227 D CB 0.304 40.474 40.800 -1.050 0.000 0.922 227 D HN 0.517 nan 8.370 nan 0.000 0.518 228 Q N -0.237 119.350 119.800 -0.355 0.000 2.288 228 Q HA 0.227 4.569 4.340 0.002 0.000 0.256 228 Q C 0.638 176.498 176.000 -0.233 0.000 0.835 228 Q CA 0.011 55.638 55.803 -0.294 0.000 0.958 228 Q CB 0.754 29.111 28.738 -0.635 0.000 1.125 228 Q HN 0.072 nan 8.270 nan 0.000 0.513 229 A N 2.174 124.869 122.820 -0.208 0.000 2.498 229 A HA 0.211 4.533 4.320 0.002 0.000 0.239 229 A C 0.609 178.145 177.584 -0.080 0.000 1.068 229 A CA -0.003 51.976 52.037 -0.097 0.000 0.766 229 A CB 0.103 19.084 19.000 -0.032 0.000 1.003 229 A HN 0.114 nan 8.150 nan 0.000 0.497 230 M N 2.354 121.937 119.600 -0.028 0.000 2.252 230 M HA 0.113 4.594 4.480 0.002 0.000 0.333 230 M C 0.275 176.563 176.300 -0.021 0.000 1.111 230 M CA 0.507 55.786 55.300 -0.035 0.000 1.140 230 M CB 0.070 32.663 32.600 -0.012 0.000 1.538 230 M HN 0.563 nan 8.290 nan 0.000 0.448 231 M N 2.978 122.572 119.600 -0.010 0.000 2.249 231 M HA 0.409 4.890 4.480 0.002 0.000 0.351 231 M C -0.232 175.951 176.300 -0.196 0.000 1.180 231 M CA 0.083 55.324 55.300 -0.098 0.000 1.127 231 M CB 1.060 33.677 32.600 0.029 0.000 1.546 231 M HN 0.508 nan 8.290 nan 0.000 0.461 232 M N 2.473 121.804 119.600 -0.448 0.000 2.664 232 M HA 0.628 5.110 4.480 0.002 0.000 0.314 232 M C -1.117 174.662 176.300 -0.868 0.000 1.200 232 M CA -0.342 54.734 55.300 -0.374 0.000 0.916 232 M CB 1.982 34.531 32.600 -0.086 0.000 1.717 232 M HN 0.471 nan 8.290 nan 0.000 0.470 233 F N -0.774 119.198 119.950 0.037 0.000 2.629 233 F HA 0.725 5.253 4.527 0.002 0.000 0.316 233 F C 0.180 175.981 175.800 0.002 0.000 1.081 233 F CA -0.615 57.409 58.000 0.040 0.000 0.954 233 F CB 2.244 41.252 39.000 0.013 0.000 1.337 233 F HN 0.468 nan 8.300 nan 0.000 0.474 234 T N 1.461 116.118 114.554 0.171 0.000 2.932 234 T HA 0.505 4.856 4.350 0.002 0.000 0.318 234 T C -3.130 171.631 174.700 0.102 0.000 1.265 234 T CA -1.919 60.221 62.100 0.067 0.000 1.036 234 T CB 2.025 70.835 68.868 -0.098 0.000 1.209 234 T HN 0.133 nan 8.240 nan 0.000 0.484 235 P HA 0.234 nan 4.420 nan 0.000 0.271 235 P C -0.567 176.804 177.300 0.118 0.000 1.216 235 P CA -0.391 62.759 63.100 0.083 0.000 0.771 235 P CB 0.404 32.130 31.700 0.044 0.000 0.864 236 V N 3.683 123.655 119.914 0.097 0.000 2.540 236 V HA 0.219 4.341 4.120 0.002 0.000 0.297 236 V C 1.684 177.796 176.094 0.030 0.000 1.024 236 V CA 1.868 64.234 62.300 0.111 0.000 1.105 236 V CB -0.563 31.298 31.823 0.064 0.000 0.938 236 V HN 1.040 nan 8.190 nan 0.000 0.482 237 G N 3.168 111.990 108.800 0.036 0.000 2.176 237 G HA2 0.171 4.132 3.960 0.002 0.000 0.253 237 G HA3 0.171 4.132 3.960 0.002 0.000 0.253 237 G C 0.659 174.983 174.900 -0.960 0.000 0.979 237 G CA -0.163 44.738 45.100 -0.331 0.000 0.641 237 G HN 2.377 nan 8.290 nan 0.000 0.530 238 G N -2.166 106.261 108.800 -0.621 0.000 2.535 238 G HA2 0.353 4.314 3.960 0.002 0.000 0.662 238 G HA3 0.353 4.314 3.960 0.002 0.000 0.662 238 G C 0.214 175.085 174.900 -0.049 0.000 1.417 238 G CA 0.298 45.111 45.100 -0.478 0.000 0.866 238 G HN 1.250 nan 8.290 nan 0.000 0.647 239 M N 1.402 121.067 119.600 0.109 0.000 2.279 239 M HA 0.015 4.496 4.480 0.002 0.000 0.264 239 M C 2.235 178.667 176.300 0.220 0.000 1.062 239 M CA 2.640 58.043 55.300 0.172 0.000 1.099 239 M CB -0.313 32.421 32.600 0.222 0.000 1.394 239 M HN 0.729 nan 8.290 nan 0.000 0.426 240 D N -0.988 119.552 120.400 0.234 0.000 2.351 240 D HA -0.185 4.457 4.640 0.002 0.000 0.216 240 D C 1.479 177.979 176.300 0.332 0.000 0.968 240 D CA 0.756 54.975 54.000 0.366 0.000 0.899 240 D CB -0.587 40.457 40.800 0.407 0.000 0.907 240 D HN 0.287 nan 8.370 nan 0.000 0.514 241 R N 0.441 121.029 120.500 0.147 0.000 2.127 241 R HA -0.004 4.337 4.340 0.002 0.000 0.238 241 R C 2.417 178.701 176.300 -0.026 0.000 1.134 241 R CA 0.411 56.556 56.100 0.075 0.000 0.975 241 R CB -0.778 29.506 30.300 -0.026 0.000 0.865 241 R HN 0.402 nan 8.270 nan 0.000 0.447 242 I N -0.238 120.230 120.570 -0.171 0.000 2.208 242 I HA -0.303 3.869 4.170 0.002 0.000 0.245 242 I C 1.702 177.454 176.117 -0.609 0.000 1.097 242 I CA 1.558 62.547 61.300 -0.519 0.000 1.363 242 I CB -0.323 37.211 38.000 -0.776 0.000 1.051 242 I HN 0.069 nan 8.210 nan 0.000 0.413 243 Y N -1.272 119.112 120.300 0.140 0.000 2.448 243 Y HA -0.073 4.478 4.550 0.002 0.000 0.289 243 Y C 2.203 178.124 175.900 0.035 0.000 1.114 243 Y CA 0.512 58.702 58.100 0.150 0.000 1.235 243 Y CB -0.771 37.726 38.460 0.061 0.000 1.045 243 Y HN 0.038 nan 8.280 nan 0.000 0.554 244 Y N -0.323 120.062 120.300 0.141 0.000 2.293 244 Y HA -0.179 4.372 4.550 0.002 0.000 0.291 244 Y C 2.509 178.435 175.900 0.043 0.000 1.137 244 Y CA 1.011 59.165 58.100 0.091 0.000 1.202 244 Y CB -0.641 37.843 38.460 0.040 0.000 0.990 244 Y HN 0.105 nan 8.280 nan 0.000 0.537 245 A N -0.409 122.455 122.820 0.074 0.000 1.898 245 A HA -0.143 4.179 4.320 0.002 0.000 0.216 245 A C 1.931 179.478 177.584 -0.063 0.000 1.181 245 A CA 1.305 53.311 52.037 -0.053 0.000 0.620 245 A CB -1.157 17.720 19.000 -0.206 0.000 0.819 245 A HN 0.369 nan 8.150 nan 0.000 0.442 246 F N 0.277 120.153 119.950 -0.123 0.000 2.095 246 F HA -0.239 4.290 4.527 0.002 0.000 0.298 246 F C 2.654 178.471 175.800 0.028 0.000 1.104 246 F CA 1.851 59.778 58.000 -0.123 0.000 1.232 246 F CB -0.694 38.228 39.000 -0.130 0.000 0.987 246 F HN 0.411 nan 8.300 nan 0.000 0.475 247 Q N 0.352 120.307 119.800 0.258 0.000 2.077 247 Q HA -0.248 4.093 4.340 0.002 0.000 0.206 247 Q C 1.694 177.814 176.000 0.199 0.000 0.989 247 Q CA 2.178 58.111 55.803 0.217 0.000 0.853 247 Q CB -0.237 28.629 28.738 0.214 0.000 0.907 247 Q HN 0.312 nan 8.270 nan 0.000 0.418 248 D N -0.260 120.247 120.400 0.179 0.000 2.144 248 D HA -0.131 4.510 4.640 0.002 0.000 0.200 248 D C 2.021 178.410 176.300 0.149 0.000 0.978 248 D CA 0.798 54.887 54.000 0.148 0.000 0.833 248 D CB -0.104 40.766 40.800 0.117 0.000 0.961 248 D HN 0.215 nan 8.370 nan 0.000 0.470 249 R N 0.305 120.915 120.500 0.184 0.000 2.073 249 R HA 0.052 4.393 4.340 0.002 0.000 0.229 249 R C 2.544 178.995 176.300 0.251 0.000 1.120 249 R CA 0.293 56.541 56.100 0.246 0.000 0.967 249 R CB -0.631 29.907 30.300 0.397 0.000 0.862 249 R HN 0.310 nan 8.270 nan 0.000 0.436 250 I N 0.032 120.763 120.570 0.267 0.000 2.252 250 I HA -0.101 4.071 4.170 0.002 0.000 0.245 250 I C 0.778 176.967 176.117 0.120 0.000 1.102 250 I CA 1.123 62.539 61.300 0.193 0.000 1.385 250 I CB -0.283 37.817 38.000 0.167 0.000 1.064 250 I HN 0.303 nan 8.210 nan 0.000 0.414 251 G N 0.669 109.543 108.800 0.123 0.000 3.209 251 G HA2 -0.182 3.780 3.960 0.002 0.000 0.686 251 G HA3 -0.182 3.780 3.960 0.002 0.000 0.686 251 G C 0.559 175.513 174.900 0.090 0.000 1.065 251 G CA -0.130 45.030 45.100 0.099 0.000 0.812 251 G HN 0.247 nan 8.290 nan 0.000 0.573 252 T N -0.720 113.904 114.554 0.117 0.000 2.929 252 T HA -0.117 4.234 4.350 0.002 0.000 0.271 252 T C 1.616 176.360 174.700 0.074 0.000 1.085 252 T CA 1.996 64.177 62.100 0.136 0.000 1.125 252 T CB -0.056 68.928 68.868 0.195 0.000 0.874 252 T HN 0.636 nan 8.240 nan 0.000 0.494 253 D N 1.694 122.130 120.400 0.059 0.000 2.263 253 D HA -0.073 4.568 4.640 0.002 0.000 0.208 253 D C 1.627 177.932 176.300 0.009 0.000 0.971 253 D CA 0.709 54.731 54.000 0.037 0.000 0.867 253 D CB -0.262 40.561 40.800 0.038 0.000 0.929 253 D HN 0.372 nan 8.370 nan 0.000 0.492 254 N N -0.443 118.255 118.700 -0.003 0.000 2.230 254 N HA 0.149 4.890 4.740 0.002 0.000 0.202 254 N C -0.449 175.000 175.510 -0.101 0.000 1.119 254 N CA 0.084 53.114 53.050 -0.032 0.000 0.851 254 N CB 1.317 39.800 38.487 -0.006 0.000 0.990 254 N HN 0.278 nan 8.380 nan 0.000 0.497 255 I N 0.962 121.443 120.570 -0.148 0.000 2.466 255 I HA 0.260 4.432 4.170 0.002 0.000 0.289 255 I C -0.569 175.331 176.117 -0.361 0.000 1.026 255 I CA -0.896 60.198 61.300 -0.344 0.000 1.078 255 I CB 2.598 40.282 38.000 -0.526 0.000 1.249 255 I HN -0.377 nan 8.210 nan 0.000 0.429 256 V N 6.528 126.208 119.914 -0.391 0.000 2.318 256 V HA 0.335 4.457 4.120 0.002 0.000 0.271 256 V C -0.108 175.772 176.094 -0.356 0.000 1.030 256 V CA -0.373 61.764 62.300 -0.272 0.000 0.844 256 V CB 0.277 31.958 31.823 -0.236 0.000 1.015 256 V HN 0.362 nan 8.190 nan 0.000 0.460 257 F N 1.996 121.909 119.950 -0.063 0.000 2.370 257 F HA 0.606 5.135 4.527 0.002 0.000 0.319 257 F C 1.515 177.284 175.800 -0.052 0.000 1.129 257 F CA 0.517 58.475 58.000 -0.070 0.000 1.109 257 F CB 0.891 39.866 39.000 -0.042 0.000 1.262 257 F HN 0.691 nan 8.300 nan 0.000 0.534 258 G N 0.960 109.849 108.800 0.148 0.000 2.225 258 G HA2 -0.060 3.901 3.960 0.002 0.000 0.267 258 G HA3 -0.060 3.901 3.960 0.002 0.000 0.267 258 G C -0.199 174.727 174.900 0.044 0.000 1.024 258 G CA 0.109 45.250 45.100 0.070 0.000 0.784 258 G HN 1.069 nan 8.290 nan 0.000 0.507 259 A N 0.115 122.919 122.820 -0.026 0.000 2.322 259 A HA 0.685 5.007 4.320 0.002 0.000 0.327 259 A C 0.172 177.722 177.584 -0.057 0.000 1.394 259 A CA 0.004 52.042 52.037 0.001 0.000 0.921 259 A CB 0.541 19.405 19.000 -0.228 0.000 1.153 259 A HN 0.547 nan 8.150 nan 0.000 0.523 260 E N 3.222 123.445 120.200 0.039 0.000 2.044 260 E HA 0.385 4.736 4.350 0.002 0.000 0.282 260 E C -0.693 175.963 176.600 0.093 0.000 1.031 260 E CA -0.391 56.018 56.400 0.014 0.000 0.824 260 E CB 0.665 30.422 29.700 0.094 0.000 1.076 260 E HN 0.424 nan 8.360 nan 0.000 0.395 261 V N 4.618 124.559 119.914 0.046 0.000 2.585 261 V HA -0.010 4.111 4.120 0.002 0.000 0.296 261 V C 1.344 177.488 176.094 0.084 0.000 1.035 261 V CA 1.048 63.400 62.300 0.086 0.000 1.084 261 V CB 1.070 32.908 31.823 0.025 0.000 0.953 261 V HN 0.955 nan 8.190 nan 0.000 0.483 262 T N -0.481 114.126 114.554 0.089 0.000 2.958 262 T HA 0.243 4.595 4.350 0.002 0.000 0.256 262 T C 0.523 175.254 174.700 0.052 0.000 0.983 262 T CA 0.352 62.490 62.100 0.064 0.000 0.924 262 T CB 0.524 69.424 68.868 0.053 0.000 1.136 262 T HN 0.578 nan 8.240 nan 0.000 0.506 263 S N 0.413 116.147 115.700 0.057 0.000 2.536 263 S HA 0.714 5.185 4.470 0.002 0.000 0.271 263 S C -1.682 172.947 174.600 0.049 0.000 1.134 263 S CA -0.826 57.401 58.200 0.045 0.000 0.897 263 S CB 1.739 64.959 63.200 0.034 0.000 1.094 263 S HN 0.482 nan 8.310 nan 0.000 0.473 264 M N 4.528 124.153 119.600 0.041 0.000 2.183 264 M HA 0.521 5.003 4.480 0.002 0.000 0.277 264 M C -2.148 174.166 176.300 0.024 0.000 0.995 264 M CA -0.266 55.054 55.300 0.033 0.000 0.969 264 M CB 1.141 33.763 32.600 0.037 0.000 1.659 264 M HN 0.627 nan 8.290 nan 0.000 0.462 265 K N 3.420 123.828 120.400 0.012 0.000 2.482 265 K HA 0.409 4.731 4.320 0.002 0.000 0.251 265 K C -1.175 175.419 176.600 -0.010 0.000 0.936 265 K CA -0.778 55.511 56.287 0.004 0.000 0.791 265 K CB 2.115 34.619 32.500 0.007 0.000 1.213 265 K HN 0.696 nan 8.250 nan 0.000 0.428 266 N N 1.357 120.045 118.700 -0.019 0.000 2.454 266 N HA 0.098 4.840 4.740 0.002 0.000 0.260 266 N C -0.414 175.080 175.510 -0.026 0.000 1.218 266 N CA -0.004 53.027 53.050 -0.032 0.000 0.904 266 N CB 0.601 39.066 38.487 -0.038 0.000 1.065 266 N HN 0.297 nan 8.380 nan 0.000 0.462 267 V N -0.707 119.188 119.914 -0.032 0.000 3.158 267 V HA 0.449 4.571 4.120 0.002 0.000 0.311 267 V C 0.989 177.062 176.094 -0.036 0.000 1.181 267 V CA -0.758 61.526 62.300 -0.027 0.000 1.054 267 V CB 1.588 33.399 31.823 -0.020 0.000 1.085 267 V HN 0.605 nan 8.190 nan 0.000 0.446 268 S N 1.247 116.929 115.700 -0.029 0.000 2.372 268 S HA -0.197 4.275 4.470 0.002 0.000 0.227 268 S C 1.516 176.091 174.600 -0.043 0.000 1.044 268 S CA 2.270 60.451 58.200 -0.032 0.000 1.050 268 S CB -0.433 62.753 63.200 -0.023 0.000 0.901 268 S HN 1.042 nan 8.310 nan 0.000 0.447 269 E N 0.990 121.165 120.200 -0.042 0.000 2.489 269 E HA 0.300 4.651 4.350 0.002 0.000 0.193 269 E C 1.031 177.587 176.600 -0.074 0.000 1.057 269 E CA 0.714 57.085 56.400 -0.049 0.000 0.866 269 E CB 0.199 29.879 29.700 -0.033 0.000 0.916 269 E HN 0.500 nan 8.360 nan 0.000 0.500 270 G N 0.090 108.838 108.800 -0.086 0.000 2.152 270 G HA2 0.026 3.988 3.960 0.002 0.000 0.058 270 G HA3 0.026 3.988 3.960 0.002 0.000 0.058 270 G C -1.265 173.587 174.900 -0.081 0.000 0.966 270 G CA -0.171 44.855 45.100 -0.124 0.000 1.149 270 G HN 0.109 nan 8.290 nan 0.000 0.402 271 V N 1.134 121.017 119.914 -0.051 0.000 2.686 271 V HA 0.704 4.826 4.120 0.002 0.000 0.306 271 V C -0.432 175.659 176.094 -0.005 0.000 1.065 271 V CA -0.429 61.855 62.300 -0.026 0.000 0.894 271 V CB 1.681 33.494 31.823 -0.017 0.000 1.004 271 V HN 0.764 nan 8.190 nan 0.000 0.424 272 T N 3.989 118.544 114.554 0.001 0.000 2.771 272 T HA 0.637 4.989 4.350 0.002 0.000 0.281 272 T C -0.467 174.251 174.700 0.031 0.000 0.982 272 T CA -0.351 61.759 62.100 0.017 0.000 0.978 272 T CB 1.539 70.414 68.868 0.011 0.000 0.930 272 T HN 0.389 nan 8.240 nan 0.000 0.447 273 V N 4.066 124.015 119.914 0.059 0.000 2.487 273 V HA 0.388 4.509 4.120 0.002 0.000 0.298 273 V C -0.061 176.120 176.094 0.146 0.000 1.028 273 V CA -0.899 61.453 62.300 0.087 0.000 0.860 273 V CB 1.763 33.632 31.823 0.077 0.000 0.991 273 V HN 0.844 nan 8.190 nan 0.000 0.427 274 E N 4.318 124.586 120.200 0.113 0.000 2.204 274 E HA 0.668 5.020 4.350 0.002 0.000 0.276 274 E C -1.486 175.211 176.600 0.162 0.000 0.974 274 E CA -0.526 55.921 56.400 0.078 0.000 0.815 274 E CB 2.150 31.858 29.700 0.012 0.000 1.119 274 E HN 0.736 nan 8.360 nan 0.000 0.393 275 Y N -2.005 118.289 120.300 -0.010 0.000 2.609 275 Y HA 0.499 5.050 4.550 0.002 0.000 0.336 275 Y C -0.987 174.909 175.900 -0.007 0.000 1.129 275 Y CA -1.181 56.911 58.100 -0.013 0.000 1.040 275 Y CB 1.173 39.617 38.460 -0.028 0.000 1.310 275 Y HN 0.161 nan 8.280 nan 0.000 0.460 276 T N 2.432 117.047 114.554 0.102 0.000 2.771 276 T HA 0.825 5.177 4.350 0.002 0.000 0.281 276 T C -0.730 174.050 174.700 0.133 0.000 0.982 276 T CA -0.237 61.881 62.100 0.030 0.000 0.978 276 T CB 0.889 69.781 68.868 0.041 0.000 0.930 276 T HN 0.979 nan 8.240 nan 0.000 0.447 277 A N 1.695 124.566 122.820 0.085 0.000 2.459 277 A HA 0.753 5.075 4.320 0.002 0.000 0.296 277 A C 0.801 178.427 177.584 0.070 0.000 1.039 277 A CA -0.249 51.870 52.037 0.137 0.000 0.698 277 A CB 0.904 20.071 19.000 0.278 0.000 1.261 277 A HN 1.422 nan 8.150 nan 0.000 0.405 278 G N 0.773 109.613 108.800 0.067 0.000 2.249 278 G HA2 0.145 4.106 3.960 0.002 0.000 0.273 278 G HA3 0.145 4.106 3.960 0.002 0.000 0.273 278 G C 1.737 176.654 174.900 0.028 0.000 1.036 278 G CA 1.523 46.650 45.100 0.046 0.000 0.824 278 G HN 2.908 nan 8.290 nan 0.000 0.504 279 G N -2.289 106.528 108.800 0.028 0.000 2.212 279 G HA2 -0.111 3.851 3.960 0.002 0.000 0.266 279 G HA3 -0.111 3.851 3.960 0.002 0.000 0.266 279 G C 0.503 175.402 174.900 -0.002 0.000 0.978 279 G CA 0.915 46.025 45.100 0.016 0.000 0.632 279 G HN 1.781 nan 8.290 nan 0.000 0.537 280 S N 1.227 116.918 115.700 -0.016 0.000 2.489 280 S HA 0.570 5.042 4.470 0.002 0.000 0.291 280 S C 0.147 174.690 174.600 -0.094 0.000 1.151 280 S CA -0.798 57.375 58.200 -0.046 0.000 1.082 280 S CB 1.509 64.681 63.200 -0.046 0.000 1.019 280 S HN 0.287 nan 8.310 nan 0.000 0.492 281 K N 3.452 123.792 120.400 -0.100 0.000 2.383 281 K HA 0.256 4.578 4.320 0.002 0.000 0.286 281 K C -0.081 176.383 176.600 -0.227 0.000 1.051 281 K CA 0.145 56.344 56.287 -0.146 0.000 0.974 281 K CB 0.408 32.852 32.500 -0.092 0.000 0.968 281 K HN 0.525 nan 8.250 nan 0.000 0.475 282 K N 0.687 120.830 120.400 -0.428 0.000 2.350 282 K HA 0.438 4.760 4.320 0.002 0.000 0.241 282 K C -0.467 175.844 176.600 -0.482 0.000 0.994 282 K CA -0.819 55.140 56.287 -0.547 0.000 0.839 282 K CB 2.113 34.044 32.500 -0.949 0.000 1.244 282 K HN 0.402 nan 8.250 nan 0.000 0.443 283 S N 0.907 116.454 115.700 -0.256 0.000 2.540 283 S HA 0.629 5.100 4.470 0.002 0.000 0.275 283 S C -1.629 173.009 174.600 0.063 0.000 1.123 283 S CA -0.776 57.388 58.200 -0.060 0.000 0.907 283 S CB 0.925 64.101 63.200 -0.040 0.000 1.081 283 S HN 0.588 nan 8.310 nan 0.000 0.476 284 I N 2.915 123.571 120.570 0.144 0.000 2.619 284 I HA 0.593 4.764 4.170 0.002 0.000 0.292 284 I C -1.146 175.014 176.117 0.071 0.000 1.100 284 I CA -0.146 61.229 61.300 0.124 0.000 1.043 284 I CB 2.291 40.394 38.000 0.171 0.000 1.239 284 I HN 0.602 nan 8.210 nan 0.000 0.420 285 T N 6.271 120.852 114.554 0.044 0.000 2.829 285 T HA 0.849 5.201 4.350 0.002 0.000 0.280 285 T C -0.603 174.112 174.700 0.025 0.000 0.999 285 T CA -0.482 61.633 62.100 0.025 0.000 0.983 285 T CB 1.622 70.497 68.868 0.011 0.000 0.968 285 T HN 0.722 nan 8.240 nan 0.000 0.446 286 A N 1.582 124.414 122.820 0.021 0.000 2.569 286 A HA 0.672 4.993 4.320 0.002 0.000 0.290 286 A C 0.382 177.973 177.584 0.012 0.000 1.136 286 A CA -0.697 51.362 52.037 0.036 0.000 0.710 286 A CB 1.004 20.039 19.000 0.058 0.000 1.303 286 A HN 0.667 nan 8.150 nan 0.000 0.413 287 D N -0.642 119.781 120.400 0.037 0.000 2.144 287 D HA 0.012 4.654 4.640 0.002 0.000 0.199 287 D C -0.371 175.737 176.300 -0.321 0.000 0.984 287 D CA 2.211 56.159 54.000 -0.086 0.000 0.834 287 D CB -0.079 40.764 40.800 0.070 0.000 0.955 287 D HN 0.496 nan 8.370 nan 0.000 0.465 288 Y N -1.164 119.175 120.300 0.065 0.000 2.581 288 Y HA 0.576 5.127 4.550 0.002 0.000 0.345 288 Y C -0.335 175.578 175.900 0.023 0.000 1.036 288 Y CA -1.326 56.810 58.100 0.059 0.000 1.042 288 Y CB 2.016 40.502 38.460 0.042 0.000 1.289 288 Y HN -0.225 nan 8.280 nan 0.000 0.471 289 A N 2.042 124.980 122.820 0.196 0.000 2.386 289 A HA 0.847 5.169 4.320 0.002 0.000 0.311 289 A C -1.431 176.196 177.584 0.072 0.000 1.068 289 A CA -0.674 51.411 52.037 0.080 0.000 0.743 289 A CB 0.783 19.792 19.000 0.015 0.000 1.258 289 A HN 0.680 nan 8.150 nan 0.000 0.429 290 I N 1.667 122.241 120.570 0.007 0.000 2.382 290 I HA 0.258 4.429 4.170 0.002 0.000 0.285 290 I C -0.482 175.626 176.117 -0.014 0.000 1.007 290 I CA -0.350 60.945 61.300 -0.008 0.000 1.142 290 I CB 1.452 39.421 38.000 -0.052 0.000 1.289 290 I HN 0.630 nan 8.210 nan 0.000 0.453 291 C N 5.607 124.905 119.300 -0.004 0.000 2.246 291 C HA 0.406 4.868 4.460 0.002 0.000 0.329 291 C C 1.554 176.649 174.990 0.175 0.000 1.221 291 C CA -0.151 58.909 59.018 0.071 0.000 1.697 291 C CB -0.420 27.378 27.740 0.096 0.000 2.312 291 C HN 0.919 nan 8.230 nan 0.000 0.509 292 T N 3.218 117.833 114.554 0.102 0.000 3.085 292 T HA 0.296 4.647 4.350 0.002 0.000 0.264 292 T C 0.481 175.234 174.700 0.088 0.000 1.019 292 T CA -0.139 62.030 62.100 0.116 0.000 0.910 292 T CB -0.317 68.569 68.868 0.031 0.000 1.059 292 T HN 0.636 nan 8.240 nan 0.000 0.542 293 I N 3.150 123.758 120.570 0.064 0.000 2.775 293 I HA 0.169 4.341 4.170 0.002 0.000 0.290 293 I C -2.044 174.041 176.117 -0.054 0.000 1.203 293 I CA -2.020 59.281 61.300 0.001 0.000 1.433 293 I CB 0.390 38.391 38.000 0.002 0.000 1.354 293 I HN 0.048 nan 8.210 nan 0.000 0.579 294 P HA -0.047 nan 4.420 nan 0.000 0.265 294 P C -1.865 175.184 177.300 -0.419 0.000 1.187 294 P CA -0.770 62.148 63.100 -0.304 0.000 0.766 294 P CB -0.000 31.515 31.700 -0.308 0.000 0.820 295 P HA -0.212 nan 4.420 nan 0.000 0.218 295 P C 1.207 178.385 177.300 -0.204 0.000 1.149 295 P CA 1.736 64.648 63.100 -0.314 0.000 0.817 295 P CB -0.445 31.032 31.700 -0.372 0.000 0.785 296 H N -0.573 118.383 119.070 -0.190 0.000 2.521 296 H HA 0.079 4.636 4.556 0.002 0.000 0.286 296 H C 1.739 177.024 175.328 -0.072 0.000 1.034 296 H CA 0.562 56.536 56.048 -0.123 0.000 1.278 296 H CB -1.119 28.570 29.762 -0.121 0.000 1.386 296 H HN 0.197 nan 8.280 nan 0.000 0.567 297 L N 0.374 121.325 121.223 -0.453 0.000 2.477 297 L HA 0.037 4.379 4.340 0.002 0.000 0.220 297 L C 2.467 179.272 176.870 -0.108 0.000 1.106 297 L CA 0.006 54.697 54.840 -0.247 0.000 0.851 297 L CB 0.158 42.047 42.059 -0.283 0.000 0.994 297 L HN 0.027 nan 8.230 nan 0.000 0.462 298 V N 0.694 120.549 119.914 -0.099 0.000 2.343 298 V HA -0.185 3.937 4.120 0.002 0.000 0.247 298 V C 2.616 178.717 176.094 0.012 0.000 1.051 298 V CA 2.074 64.368 62.300 -0.010 0.000 1.036 298 V CB -1.099 30.736 31.823 0.019 0.000 0.654 298 V HN 0.564 nan 8.190 nan 0.000 0.451 299 G N -0.138 108.658 108.800 -0.007 0.000 2.470 299 G HA2 -0.220 3.742 3.960 0.002 0.000 0.220 299 G HA3 -0.220 3.742 3.960 0.002 0.000 0.220 299 G C 1.687 176.596 174.900 0.015 0.000 1.121 299 G CA 0.409 45.515 45.100 0.010 0.000 0.766 299 G HN 0.479 nan 8.290 nan 0.000 0.553 300 R N -0.557 119.948 120.500 0.008 0.000 2.189 300 R HA 0.178 4.519 4.340 0.002 0.000 0.218 300 R C 0.594 176.908 176.300 0.024 0.000 1.074 300 R CA -0.143 55.965 56.100 0.014 0.000 0.991 300 R CB -0.219 30.086 30.300 0.009 0.000 0.883 300 R HN 0.295 nan 8.270 nan 0.000 0.457 301 L N 2.084 123.325 121.223 0.030 0.000 2.439 301 L HA 0.034 4.376 4.340 0.002 0.000 0.269 301 L C 0.493 177.385 176.870 0.037 0.000 1.179 301 L CA -0.091 54.772 54.840 0.039 0.000 0.828 301 L CB 0.398 42.487 42.059 0.049 0.000 1.106 301 L HN 0.088 nan 8.230 nan 0.000 0.467 302 Q N 3.991 123.811 119.800 0.034 0.000 2.330 302 Q HA 0.129 4.471 4.340 0.002 0.000 0.279 302 Q C -0.504 175.517 176.000 0.035 0.000 1.024 302 Q CA 0.327 56.147 55.803 0.030 0.000 0.900 302 Q CB 0.426 29.179 28.738 0.024 0.000 1.221 302 Q HN 0.659 nan 8.270 nan 0.000 0.396 303 N N 0.838 119.558 118.700 0.034 0.000 2.927 303 N HA 0.147 4.888 4.740 0.002 0.000 0.248 303 N C -1.242 174.287 175.510 0.033 0.000 1.443 303 N CA -0.724 52.349 53.050 0.039 0.000 0.870 303 N CB 0.818 39.340 38.487 0.059 0.000 1.444 303 N HN 0.521 nan 8.380 nan 0.000 0.519 304 N N 0.243 118.961 118.700 0.031 0.000 2.497 304 N HA 0.224 4.965 4.740 0.002 0.000 0.284 304 N C -0.783 174.746 175.510 0.032 0.000 1.459 304 N CA -0.371 52.694 53.050 0.025 0.000 0.899 304 N CB -0.059 38.436 38.487 0.013 0.000 1.316 304 N HN 0.479 nan 8.380 nan 0.000 0.500 305 L N 0.487 121.741 121.223 0.053 0.000 2.426 305 L HA 0.353 4.694 4.340 0.002 0.000 0.271 305 L C -1.762 175.141 176.870 0.055 0.000 1.169 305 L CA -1.582 53.301 54.840 0.072 0.000 0.836 305 L CB 0.055 42.189 42.059 0.125 0.000 1.112 305 L HN -0.037 nan 8.230 nan 0.000 0.465 306 P HA 0.008 nan 4.420 nan 0.000 0.269 306 P C 0.781 178.106 177.300 0.042 0.000 1.215 306 P CA -0.088 63.035 63.100 0.038 0.000 0.780 306 P CB 0.680 32.400 31.700 0.033 0.000 0.898 307 G N 2.110 110.930 108.800 0.032 0.000 2.469 307 G HA2 -0.277 3.684 3.960 0.002 0.000 0.220 307 G HA3 -0.277 3.684 3.960 0.002 0.000 0.220 307 G C 1.001 175.922 174.900 0.034 0.000 1.136 307 G CA 0.994 46.112 45.100 0.031 0.000 0.759 307 G HN 0.626 nan 8.290 nan 0.000 0.562 308 D N 0.567 120.988 120.400 0.035 0.000 2.224 308 D HA -0.066 4.576 4.640 0.002 0.000 0.205 308 D C 2.381 178.708 176.300 0.045 0.000 0.965 308 D CA 0.798 54.821 54.000 0.037 0.000 0.852 308 D CB -0.691 40.129 40.800 0.032 0.000 0.947 308 D HN 0.264 nan 8.370 nan 0.000 0.494 309 V N 0.873 120.818 119.914 0.052 0.000 2.358 309 V HA -0.168 3.954 4.120 0.002 0.000 0.246 309 V C 2.795 178.910 176.094 0.036 0.000 1.047 309 V CA 1.068 63.405 62.300 0.062 0.000 1.035 309 V CB -0.542 31.351 31.823 0.117 0.000 0.658 309 V HN 0.189 nan 8.190 nan 0.000 0.452 310 L N -0.286 120.962 121.223 0.042 0.000 2.042 310 L HA -0.189 4.153 4.340 0.002 0.000 0.210 310 L C 2.619 179.503 176.870 0.024 0.000 1.076 310 L CA 1.964 56.821 54.840 0.028 0.000 0.749 310 L CB -1.028 41.051 42.059 0.033 0.000 0.893 310 L HN 0.352 nan 8.230 nan 0.000 0.432 311 T N -0.156 114.419 114.554 0.035 0.000 2.737 311 T HA -0.144 4.208 4.350 0.002 0.000 0.265 311 T C 2.039 176.776 174.700 0.063 0.000 1.038 311 T CA 1.281 63.407 62.100 0.043 0.000 1.144 311 T CB -0.233 68.661 68.868 0.043 0.000 0.866 311 T HN 0.444 nan 8.240 nan 0.000 0.434 312 A N 1.269 124.133 122.820 0.073 0.000 1.940 312 A HA -0.021 4.301 4.320 0.002 0.000 0.219 312 A C 2.278 179.959 177.584 0.161 0.000 1.176 312 A CA 1.253 53.367 52.037 0.129 0.000 0.631 312 A CB -0.917 18.146 19.000 0.105 0.000 0.814 312 A HN 0.484 nan 8.150 nan 0.000 0.446 313 L N -0.835 120.415 121.223 0.045 0.000 2.131 313 L HA -0.198 4.144 4.340 0.002 0.000 0.210 313 L C 2.366 179.217 176.870 -0.031 0.000 1.092 313 L CA 1.599 56.425 54.840 -0.024 0.000 0.759 313 L CB -0.328 41.664 42.059 -0.112 0.000 0.903 313 L HN 0.348 nan 8.230 nan 0.000 0.435 314 K N -0.215 120.187 120.400 0.003 0.000 2.439 314 K HA -0.013 4.309 4.320 0.002 0.000 0.197 314 K C 2.011 178.604 176.600 -0.010 0.000 1.041 314 K CA 0.807 57.090 56.287 -0.007 0.000 0.970 314 K CB -0.057 32.450 32.500 0.012 0.000 0.773 314 K HN 0.267 nan 8.250 nan 0.000 0.479 315 A N 1.345 124.195 122.820 0.049 0.000 2.119 315 A HA 0.114 4.436 4.320 0.002 0.000 0.216 315 A C 1.250 178.785 177.584 -0.083 0.000 1.152 315 A CA 0.559 52.659 52.037 0.104 0.000 0.708 315 A CB -0.028 19.163 19.000 0.318 0.000 0.805 315 A HN 0.215 nan 8.150 nan 0.000 0.460 316 A N 1.534 124.081 122.820 -0.455 0.000 2.671 316 A HA 0.438 4.760 4.320 0.002 0.000 0.306 316 A C -0.098 177.214 177.584 -0.455 0.000 1.473 316 A CA -0.473 50.997 52.037 -0.945 0.000 1.155 316 A CB -0.171 18.044 19.000 -1.308 0.000 1.123 316 A HN 0.174 nan 8.150 nan 0.000 0.545 317 K N 3.454 123.668 120.400 -0.311 0.000 2.249 317 K HA 0.322 4.644 4.320 0.002 0.000 0.280 317 K C -2.607 173.844 176.600 -0.249 0.000 1.033 317 K CA -2.135 54.027 56.287 -0.209 0.000 0.946 317 K CB 0.746 33.178 32.500 -0.113 0.000 1.005 317 K HN 0.405 nan 8.250 nan 0.000 0.469 318 P HA 0.045 nan 4.420 nan 0.000 0.272 318 P C -0.411 176.725 177.300 -0.273 0.000 1.240 318 P CA -0.240 62.607 63.100 -0.422 0.000 0.791 318 P CB 0.735 32.053 31.700 -0.638 0.000 0.978 319 S N -0.860 114.652 115.700 -0.313 0.000 2.627 319 S HA 0.545 5.016 4.470 0.002 0.000 0.283 319 S C -0.711 173.689 174.600 -0.334 0.000 1.127 319 S CA -0.785 57.230 58.200 -0.309 0.000 0.863 319 S CB 1.374 64.332 63.200 -0.403 0.000 1.121 319 S HN 0.374 nan 8.310 nan 0.000 0.479 320 S N 0.664 116.219 115.700 -0.241 0.000 2.462 320 S HA 0.777 5.248 4.470 0.002 0.000 0.294 320 S C -0.709 173.794 174.600 -0.162 0.000 1.144 320 S CA -0.308 57.807 58.200 -0.140 0.000 1.088 320 S CB 0.636 63.808 63.200 -0.047 0.000 1.009 320 S HN 0.963 nan 8.310 nan 0.000 0.484 321 S N 2.310 117.984 115.700 -0.043 0.000 2.547 321 S HA 0.832 5.303 4.470 0.002 0.000 0.270 321 S C -0.640 174.183 174.600 0.372 0.000 1.150 321 S CA -0.039 58.234 58.200 0.122 0.000 0.850 321 S CB 1.312 64.486 63.200 -0.044 0.000 1.118 321 S HN 1.194 nan 8.310 nan 0.000 0.461 322 G N 2.115 111.186 108.800 0.450 0.000 2.623 322 G HA2 0.657 4.619 3.960 0.002 0.000 0.290 322 G HA3 0.657 4.619 3.960 0.002 0.000 0.290 322 G C -2.259 172.943 174.900 0.503 0.000 1.437 322 G CA -0.706 44.653 45.100 0.433 0.000 0.798 322 G HN 0.673 nan 8.290 nan 0.000 0.488 323 K N -0.704 119.875 120.400 0.299 0.000 2.512 323 K HA 0.723 5.044 4.320 0.002 0.000 0.263 323 K C -1.653 174.703 176.600 -0.406 0.000 0.966 323 K CA -0.820 55.481 56.287 0.023 0.000 0.851 323 K CB 3.212 35.827 32.500 0.191 0.000 1.395 323 K HN 0.421 nan 8.250 nan 0.000 0.440 324 L N 0.282 120.963 121.223 -0.904 0.000 2.464 324 L HA 0.617 4.958 4.340 0.002 0.000 0.266 324 L C -0.974 175.470 176.870 -0.711 0.000 0.965 324 L CA -0.335 54.066 54.840 -0.732 0.000 0.833 324 L CB 1.978 43.416 42.059 -1.034 0.000 1.296 324 L HN 0.797 nan 8.230 nan 0.000 0.405 325 G N 5.262 113.679 108.800 -0.638 0.000 2.415 325 G HA2 0.669 4.631 3.960 0.002 0.000 0.327 325 G HA3 0.669 4.631 3.960 0.002 0.000 0.327 325 G C -1.098 173.703 174.900 -0.165 0.000 1.182 325 G CA -0.503 44.166 45.100 -0.718 0.000 0.924 325 G HN 0.524 nan 8.290 nan 0.000 0.470 326 I N 1.148 121.556 120.570 -0.270 0.000 2.389 326 I HA 0.250 4.422 4.170 0.002 0.000 0.288 326 I C 0.009 175.929 176.117 -0.329 0.000 0.999 326 I CA -0.623 60.527 61.300 -0.250 0.000 1.129 326 I CB 2.322 40.048 38.000 -0.456 0.000 1.288 326 I HN 0.496 nan 8.210 nan 0.000 0.444 327 E N 6.131 126.212 120.200 -0.199 0.000 2.223 327 E HA 0.235 4.586 4.350 0.002 0.000 0.282 327 E C -1.590 174.888 176.600 -0.204 0.000 1.046 327 E CA -0.336 55.933 56.400 -0.219 0.000 0.857 327 E CB 0.710 30.346 29.700 -0.107 0.000 1.055 327 E HN 0.369 nan 8.360 nan 0.000 0.409 328 Y N 1.749 122.045 120.300 -0.007 0.000 2.361 328 Y HA 0.087 4.639 4.550 0.003 0.000 0.332 328 Y C 1.329 177.237 175.900 0.014 0.000 1.101 328 Y CA -0.378 57.775 58.100 0.088 0.000 1.137 328 Y CB 2.024 40.663 38.460 0.299 0.000 1.207 328 Y HN 0.601 nan 8.280 nan 0.000 0.463 329 S N 1.941 117.742 115.700 0.168 0.000 2.671 329 S HA 0.228 4.699 4.470 0.002 0.000 0.220 329 S C 0.352 174.969 174.600 0.028 0.000 0.951 329 S CA -0.318 57.910 58.200 0.046 0.000 0.932 329 S CB -0.109 63.108 63.200 0.028 0.000 0.777 329 S HN 0.694 nan 8.310 nan 0.000 0.508 330 R N 0.660 121.198 120.500 0.064 0.000 2.522 330 R HA 0.343 4.685 4.340 0.002 0.000 0.283 330 R C -1.266 174.858 176.300 -0.294 0.000 1.074 330 R CA -0.575 55.491 56.100 -0.057 0.000 0.925 330 R CB 1.066 31.390 30.300 0.040 0.000 1.205 330 R HN 0.145 nan 8.270 nan 0.000 0.436 331 R N 5.215 125.328 120.500 -0.645 0.000 4.138 331 R HA 0.067 4.409 4.340 0.002 0.000 0.206 331 R C 0.955 176.396 176.300 -1.431 0.000 1.667 331 R CA -0.169 54.963 56.100 -1.613 0.000 1.481 331 R CB 0.047 29.554 30.300 -1.321 0.000 1.388 331 R HN 0.655 nan 8.270 nan 0.000 0.776 332 W N 0.859 121.672 121.300 -0.811 0.000 2.392 332 W HA -0.217 4.444 4.660 0.002 0.000 0.279 332 W C 0.708 177.009 176.519 -0.363 0.000 1.225 332 W CA 0.452 57.548 57.345 -0.415 0.000 1.233 332 W CB -0.927 28.412 29.460 -0.202 0.000 1.122 332 W HN 0.480 nan 8.180 nan 0.000 0.561 333 W N 1.799 122.535 121.300 -0.939 0.000 2.358 333 W HA -0.020 4.641 4.660 0.002 0.000 0.303 333 W C 1.840 177.993 176.519 -0.609 0.000 1.208 333 W CA 1.786 58.574 57.345 -0.927 0.000 1.274 333 W CB -1.302 27.175 29.460 -1.638 0.000 1.138 333 W HN -0.096 nan 8.180 nan 0.000 0.515 334 E N 0.443 120.019 120.200 -1.041 0.000 2.051 334 E HA -0.161 4.190 4.350 0.002 0.000 0.189 334 E C 2.408 178.724 176.600 -0.473 0.000 0.979 334 E CA 2.146 57.996 56.400 -0.916 0.000 0.803 334 E CB -0.426 28.519 29.700 -1.259 0.000 0.761 334 E HN 0.418 nan 8.360 nan 0.000 0.451 335 T N -1.118 113.191 114.554 -0.408 0.000 2.904 335 T HA -0.042 4.310 4.350 0.002 0.000 0.267 335 T C 1.663 176.320 174.700 -0.073 0.000 1.059 335 T CA 0.950 62.935 62.100 -0.192 0.000 1.137 335 T CB -0.013 68.751 68.868 -0.174 0.000 0.879 335 T HN 0.072 nan 8.240 nan 0.000 0.467 336 E N 0.601 120.784 120.200 -0.028 0.000 2.206 336 E HA 0.044 4.395 4.350 0.002 0.000 0.195 336 E C 1.219 177.878 176.600 0.098 0.000 0.935 336 E CA 0.545 56.983 56.400 0.064 0.000 0.875 336 E CB 0.313 30.091 29.700 0.130 0.000 0.841 336 E HN 0.399 nan 8.360 nan 0.000 0.477 337 D N 0.158 120.617 120.400 0.099 0.000 2.349 337 D HA 0.057 4.699 4.640 0.002 0.000 0.214 337 D C -0.064 176.285 176.300 0.082 0.000 1.063 337 D CA 0.083 54.169 54.000 0.143 0.000 0.847 337 D CB 0.464 41.365 40.800 0.168 0.000 0.933 337 D HN -0.082 nan 8.370 nan 0.000 0.513 338 R N 0.237 120.750 120.500 0.021 0.000 3.516 338 R HA -0.186 4.156 4.340 0.002 0.000 0.271 338 R C -0.416 175.944 176.300 0.100 0.000 1.098 338 R CA 0.315 56.468 56.100 0.089 0.000 0.732 338 R CB -2.891 27.488 30.300 0.130 0.000 1.152 338 R HN 0.337 nan 8.270 nan 0.000 0.455 339 I N 1.062 121.582 120.570 -0.084 0.000 2.330 339 I HA 0.228 4.399 4.170 0.002 0.000 0.289 339 I C 0.028 176.066 176.117 -0.132 0.000 1.001 339 I CA -0.580 60.645 61.300 -0.124 0.000 1.193 339 I CB 0.787 38.518 38.000 -0.449 0.000 1.345 339 I HN -0.027 nan 8.210 nan 0.000 0.461 340 Y N 5.073 125.345 120.300 -0.047 0.000 2.464 340 Y HA 0.558 5.110 4.550 0.003 0.000 0.326 340 Y C 0.895 176.847 175.900 0.085 0.000 0.969 340 Y CA -0.380 57.735 58.100 0.025 0.000 1.270 340 Y CB 1.527 39.862 38.460 -0.209 0.000 1.103 340 Y HN 0.825 nan 8.280 nan 0.000 0.491 341 G N 1.626 110.609 108.800 0.306 0.000 2.750 341 G HA2 0.256 4.217 3.960 0.002 0.000 0.228 341 G HA3 0.256 4.217 3.960 0.002 0.000 0.228 341 G C 0.173 175.159 174.900 0.143 0.000 1.367 341 G CA -0.182 45.045 45.100 0.211 0.000 0.871 341 G HN 1.642 nan 8.290 nan 0.000 0.560 342 G N -1.851 106.989 108.800 0.066 0.000 2.725 342 G HA2 0.489 4.451 3.960 0.002 0.000 0.220 342 G HA3 0.489 4.451 3.960 0.002 0.000 0.220 342 G C 0.146 175.168 174.900 0.203 0.000 1.357 342 G CA 0.971 46.136 45.100 0.109 0.000 0.866 342 G HN 2.931 nan 8.290 nan 0.000 0.548 343 A N -0.846 122.111 122.820 0.229 0.000 2.486 343 A HA 0.888 5.209 4.320 0.002 0.000 0.300 343 A C 0.053 177.839 177.584 0.336 0.000 1.048 343 A CA 0.680 52.850 52.037 0.221 0.000 0.696 343 A CB 1.684 20.768 19.000 0.140 0.000 1.278 343 A HN 1.881 nan 8.150 nan 0.000 0.405 344 S N 0.685 116.588 115.700 0.337 0.000 2.586 344 S HA 0.498 4.969 4.470 0.002 0.000 0.274 344 S C -0.007 174.717 174.600 0.208 0.000 1.281 344 S CA -0.341 58.062 58.200 0.339 0.000 1.035 344 S CB 0.819 64.268 63.200 0.415 0.000 0.962 344 S HN 0.746 nan 8.310 nan 0.000 0.512 345 N N 0.281 119.070 118.700 0.148 0.000 2.238 345 N HA 0.643 5.385 4.740 0.002 0.000 0.302 345 N C -1.066 174.433 175.510 -0.020 0.000 1.072 345 N CA -0.255 52.862 53.050 0.112 0.000 0.792 345 N CB 2.004 40.629 38.487 0.229 0.000 1.425 345 N HN 0.520 nan 8.380 nan 0.000 0.478 346 T N 0.005 114.604 114.554 0.074 0.000 2.821 346 T HA 0.219 4.570 4.350 0.002 0.000 0.306 346 T C -0.580 174.251 174.700 0.218 0.000 1.313 346 T CA -0.560 61.559 62.100 0.032 0.000 1.012 346 T CB 0.719 69.569 68.868 -0.029 0.000 1.298 346 T HN 0.624 nan 8.240 nan 0.000 0.502 347 D N 1.138 121.703 120.400 0.276 0.000 2.355 347 D HA 0.103 4.745 4.640 0.002 0.000 0.218 347 D C 0.426 176.782 176.300 0.094 0.000 1.004 347 D CA 0.234 54.345 54.000 0.185 0.000 0.880 347 D CB -0.050 40.860 40.800 0.183 0.000 0.911 347 D HN 0.425 nan 8.370 nan 0.000 0.528 348 K N 0.717 121.161 120.400 0.073 0.000 2.286 348 K HA 0.006 4.328 4.320 0.002 0.000 0.256 348 K C 0.623 177.264 176.600 0.069 0.000 0.999 348 K CA -0.262 56.054 56.287 0.049 0.000 0.908 348 K CB 0.606 33.128 32.500 0.038 0.000 0.981 348 K HN -0.196 nan 8.250 nan 0.000 0.500 349 D N 1.361 121.793 120.400 0.054 0.000 2.158 349 D HA -0.191 4.450 4.640 0.002 0.000 0.197 349 D C 1.716 178.166 176.300 0.249 0.000 0.995 349 D CA 1.442 55.495 54.000 0.089 0.000 0.846 349 D CB -0.309 40.439 40.800 -0.086 0.000 0.941 349 D HN 0.600 nan 8.370 nan 0.000 0.456 350 I N -1.999 118.728 120.570 0.262 0.000 2.335 350 I HA -0.260 3.912 4.170 0.002 0.000 0.251 350 I C 1.216 177.428 176.117 0.157 0.000 1.129 350 I CA 1.051 62.486 61.300 0.226 0.000 1.402 350 I CB -0.122 38.017 38.000 0.231 0.000 1.069 350 I HN -0.172 nan 8.210 nan 0.000 0.424 351 S N 0.222 115.996 115.700 0.122 0.000 1.616 351 S HA -0.315 4.156 4.470 0.002 0.000 0.237 351 S C 0.420 175.068 174.600 0.080 0.000 0.811 351 S CA 1.837 60.091 58.200 0.089 0.000 1.381 351 S CB -1.152 62.081 63.200 0.056 0.000 1.728 351 S HN 0.976 nan 8.310 nan 0.000 0.522 352 Q N -0.436 119.419 119.800 0.092 0.000 2.578 352 Q HA 0.766 5.108 4.340 0.002 0.000 0.284 352 Q C -1.844 174.195 176.000 0.064 0.000 0.960 352 Q CA -0.969 54.882 55.803 0.080 0.000 0.809 352 Q CB 1.392 30.170 28.738 0.067 0.000 1.462 352 Q HN 0.437 nan 8.270 nan 0.000 0.392 353 I N 2.079 122.647 120.570 -0.003 0.000 2.418 353 I HA 0.414 4.585 4.170 0.002 0.000 0.287 353 I C -0.689 175.180 176.117 -0.413 0.000 1.008 353 I CA -0.822 60.366 61.300 -0.187 0.000 1.104 353 I CB 1.749 39.648 38.000 -0.169 0.000 1.264 353 I HN 0.531 nan 8.210 nan 0.000 0.438 354 M N 6.279 125.603 119.600 -0.459 0.000 2.167 354 M HA 0.492 4.974 4.480 0.002 0.000 0.333 354 M C -1.095 174.813 176.300 -0.654 0.000 1.030 354 M CA -0.439 54.644 55.300 -0.362 0.000 0.963 354 M CB 1.391 33.965 32.600 -0.042 0.000 1.589 354 M HN 0.247 nan 8.290 nan 0.000 0.431 355 F N 3.742 123.497 119.950 -0.326 0.000 2.379 355 F HA 0.515 5.044 4.527 0.003 0.000 0.332 355 F C -1.732 173.821 175.800 -0.412 0.000 1.096 355 F CA -2.036 55.615 58.000 -0.582 0.000 1.105 355 F CB 0.372 38.993 39.000 -0.631 0.000 1.189 355 F HN 0.346 nan 8.300 nan 0.000 0.515 356 P HA 0.013 nan 4.420 nan 0.000 0.272 356 P C -0.679 176.464 177.300 -0.262 0.000 1.223 356 P CA -0.049 62.807 63.100 -0.405 0.000 0.784 356 P CB 0.399 31.859 31.700 -0.401 0.000 0.923 357 Y N -1.047 119.112 120.300 -0.235 0.000 2.555 357 Y HA 0.359 4.911 4.550 0.003 0.000 0.259 357 Y C -0.063 175.477 175.900 -0.600 0.000 1.179 357 Y CA -0.994 56.953 58.100 -0.255 0.000 1.230 357 Y CB -0.332 38.017 38.460 -0.185 0.000 1.146 357 Y HN 0.159 nan 8.280 nan 0.000 0.526 358 D N -2.342 117.596 120.400 -0.770 0.000 2.566 358 D HA 0.187 4.829 4.640 0.002 0.000 0.254 358 D C -0.103 175.811 176.300 -0.644 0.000 1.090 358 D CA -0.885 52.669 54.000 -0.743 0.000 1.034 358 D CB 0.371 40.796 40.800 -0.625 0.000 1.434 358 D HN 0.186 nan 8.370 nan 0.000 0.509 359 H N -1.378 117.492 119.070 -0.333 0.000 2.741 359 H HA -0.198 4.359 4.556 0.003 0.000 0.305 359 H C -0.605 174.685 175.328 -0.063 0.000 1.169 359 H CA 0.497 56.451 56.048 -0.157 0.000 1.144 359 H CB -2.385 27.304 29.762 -0.121 0.000 1.397 359 H HN 0.369 nan 8.280 nan 0.000 0.409 360 Y N 1.034 121.407 120.300 0.122 0.000 2.712 360 Y HA -0.063 4.488 4.550 0.003 0.000 0.333 360 Y C 1.722 177.696 175.900 0.124 0.000 1.225 360 Y CA 0.584 58.778 58.100 0.155 0.000 1.499 360 Y CB 0.266 38.862 38.460 0.228 0.000 1.288 360 Y HN 0.283 nan 8.280 nan 0.000 0.575 361 N N -1.254 117.593 118.700 0.244 0.000 2.909 361 N HA -0.221 4.521 4.740 0.002 0.000 0.242 361 N C 0.190 175.719 175.510 0.032 0.000 0.975 361 N CA 1.045 54.163 53.050 0.115 0.000 0.921 361 N CB -1.270 37.314 38.487 0.162 0.000 1.112 361 N HN 0.655 nan 8.380 nan 0.000 0.581 362 S N 0.008 115.726 115.700 0.030 0.000 2.598 362 S HA 0.357 4.829 4.470 0.002 0.000 0.267 362 S C 1.098 175.660 174.600 -0.065 0.000 1.189 362 S CA 0.346 58.553 58.200 0.013 0.000 1.010 362 S CB 0.942 64.183 63.200 0.069 0.000 1.084 362 S HN 0.198 nan 8.310 nan 0.000 0.541 363 D N -0.835 119.528 120.400 -0.062 0.000 2.360 363 D HA 0.121 4.762 4.640 0.002 0.000 0.210 363 D C 0.709 176.934 176.300 -0.126 0.000 1.047 363 D CA -0.055 53.889 54.000 -0.093 0.000 0.854 363 D CB -0.206 40.556 40.800 -0.064 0.000 0.936 363 D HN 0.743 nan 8.370 nan 0.000 0.514 364 R N -1.929 118.488 120.500 -0.138 0.000 2.733 364 R HA 0.677 5.019 4.340 0.002 0.000 0.272 364 R C -0.960 175.279 176.300 -0.103 0.000 1.029 364 R CA -0.975 55.024 56.100 -0.169 0.000 0.888 364 R CB 1.132 31.252 30.300 -0.300 0.000 1.251 364 R HN -0.006 nan 8.270 nan 0.000 0.464 365 G N 0.295 109.093 108.800 -0.003 0.000 2.519 365 G HA2 0.410 4.372 3.960 0.002 0.000 0.292 365 G HA3 0.410 4.372 3.960 0.002 0.000 0.292 365 G C -1.834 173.084 174.900 0.030 0.000 1.507 365 G CA -0.677 44.508 45.100 0.142 0.000 0.806 365 G HN 0.350 nan 8.290 nan 0.000 0.523 366 V N 0.616 120.415 119.914 -0.192 0.000 2.407 366 V HA 0.525 4.646 4.120 0.002 0.000 0.278 366 V C 0.196 175.999 176.094 -0.485 0.000 1.037 366 V CA -0.596 61.448 62.300 -0.427 0.000 0.900 366 V CB 1.270 32.680 31.823 -0.689 0.000 0.983 366 V HN 0.588 nan 8.190 nan 0.000 0.459 367 V N 5.656 125.275 119.914 -0.490 0.000 2.427 367 V HA 0.315 4.437 4.120 0.002 0.000 0.286 367 V C 0.105 175.877 176.094 -0.536 0.000 1.034 367 V CA -0.650 61.278 62.300 -0.621 0.000 0.893 367 V CB 2.017 33.474 31.823 -0.610 0.000 0.982 367 V HN 0.613 nan 8.190 nan 0.000 0.452 368 V N 5.217 124.809 119.914 -0.537 0.000 2.352 368 V HA 0.178 4.299 4.120 0.002 0.000 0.253 368 V C 1.312 177.201 176.094 -0.342 0.000 1.083 368 V CA 0.575 62.584 62.300 -0.485 0.000 0.993 368 V CB 0.415 32.048 31.823 -0.318 0.000 1.111 368 V HN 1.076 nan 8.190 nan 0.000 0.490 369 A N 5.346 127.986 122.820 -0.300 0.000 2.066 369 A HA 0.109 4.431 4.320 0.002 0.000 0.218 369 A C 0.690 178.293 177.584 0.032 0.000 1.157 369 A CA 1.114 53.120 52.037 -0.052 0.000 0.670 369 A CB -0.096 18.920 19.000 0.026 0.000 0.804 369 A HN 1.003 nan 8.150 nan 0.000 0.453 370 Y N -4.879 115.359 120.300 -0.104 0.000 2.552 370 Y HA 0.615 5.167 4.550 0.002 0.000 0.337 370 Y C -1.392 174.528 175.900 0.032 0.000 1.094 370 Y CA -2.716 55.334 58.100 -0.083 0.000 1.028 370 Y CB 0.573 38.876 38.460 -0.261 0.000 1.321 370 Y HN 0.099 nan 8.280 nan 0.000 0.456 371 Y N 3.238 123.661 120.300 0.204 0.000 2.344 371 Y HA 0.705 5.256 4.550 0.003 0.000 0.328 371 Y C -1.420 174.612 175.900 0.221 0.000 1.067 371 Y CA -1.262 56.971 58.100 0.223 0.000 1.247 371 Y CB 1.270 39.835 38.460 0.175 0.000 1.113 371 Y HN 0.921 nan 8.280 nan 0.000 0.465 372 S N 3.057 118.920 115.700 0.271 0.000 2.599 372 S HA 0.972 5.443 4.470 0.002 0.000 0.294 372 S C -1.006 173.665 174.600 0.118 0.000 1.094 372 S CA -0.666 57.580 58.200 0.077 0.000 0.931 372 S CB 2.265 65.519 63.200 0.090 0.000 1.093 372 S HN 0.433 nan 8.310 nan 0.000 0.488 373 S N -0.060 115.686 115.700 0.076 0.000 2.627 373 S HA 0.938 5.410 4.470 0.002 0.000 0.283 373 S C 0.634 175.285 174.600 0.085 0.000 1.127 373 S CA -0.061 58.202 58.200 0.104 0.000 0.863 373 S CB 0.978 64.297 63.200 0.198 0.000 1.121 373 S HN 2.021 nan 8.310 nan 0.000 0.479 374 G N 2.151 110.987 108.800 0.061 0.000 2.596 374 G HA2 -0.358 3.603 3.960 0.002 0.000 0.295 374 G HA3 -0.358 3.603 3.960 0.002 0.000 0.295 374 G C 0.816 175.738 174.900 0.036 0.000 1.240 374 G CA 0.961 46.090 45.100 0.049 0.000 0.985 374 G HN 0.801 nan 8.290 nan 0.000 0.555 375 K N 0.513 120.932 120.400 0.031 0.000 2.074 375 K HA -0.092 4.229 4.320 0.002 0.000 0.209 375 K C 2.570 179.178 176.600 0.012 0.000 1.048 375 K CA 1.920 58.215 56.287 0.013 0.000 0.926 375 K CB -0.212 32.293 32.500 0.008 0.000 0.713 375 K HN 0.483 nan 8.250 nan 0.000 0.444 376 R N -0.194 120.328 120.500 0.037 0.000 2.276 376 R HA -0.074 4.267 4.340 0.002 0.000 0.203 376 R C 2.063 178.447 176.300 0.139 0.000 1.017 376 R CA 0.763 56.896 56.100 0.056 0.000 1.010 376 R CB 0.078 30.421 30.300 0.072 0.000 0.900 376 R HN 0.242 nan 8.270 nan 0.000 0.469 377 Q N 1.063 120.939 119.800 0.127 0.000 2.297 377 Q HA -0.033 4.308 4.340 0.002 0.000 0.203 377 Q C 1.223 177.302 176.000 0.133 0.000 0.931 377 Q CA 1.220 57.134 55.803 0.184 0.000 0.885 377 Q CB 0.375 29.196 28.738 0.138 0.000 0.991 377 Q HN 0.246 nan 8.270 nan 0.000 0.498 378 E N -0.064 120.166 120.200 0.049 0.000 2.209 378 E HA -0.183 4.168 4.350 0.002 0.000 0.196 378 E C 1.584 178.158 176.600 -0.044 0.000 0.993 378 E CA 0.946 57.349 56.400 0.006 0.000 0.819 378 E CB -0.163 29.529 29.700 -0.013 0.000 0.745 378 E HN 0.480 nan 8.360 nan 0.000 0.477 379 A N -0.052 122.701 122.820 -0.112 0.000 2.121 379 A HA -0.101 4.220 4.320 0.002 0.000 0.218 379 A C 1.441 178.727 177.584 -0.498 0.000 1.154 379 A CA 0.945 52.792 52.037 -0.316 0.000 0.679 379 A CB -0.262 18.474 19.000 -0.440 0.000 0.795 379 A HN 0.190 nan 8.150 nan 0.000 0.458 380 F N -1.227 118.649 119.950 -0.123 0.000 2.712 380 F HA 0.182 4.710 4.527 0.002 0.000 0.297 380 F C 2.029 177.807 175.800 -0.038 0.000 1.114 380 F CA 0.186 58.117 58.000 -0.114 0.000 1.305 380 F CB -0.015 38.844 39.000 -0.235 0.000 1.086 380 F HN 0.163 nan 8.300 nan 0.000 0.599 381 E N 0.330 120.610 120.200 0.133 0.000 2.097 381 E HA -0.181 4.170 4.350 0.002 0.000 0.196 381 E C 1.704 178.336 176.600 0.052 0.000 1.000 381 E CA 1.811 58.263 56.400 0.088 0.000 0.804 381 E CB -0.190 29.539 29.700 0.048 0.000 0.740 381 E HN 0.197 nan 8.360 nan 0.000 0.454 382 S N 0.183 115.897 115.700 0.023 0.000 2.575 382 S HA 0.124 4.596 4.470 0.002 0.000 0.215 382 S C 0.650 175.256 174.600 0.009 0.000 0.966 382 S CA -0.114 58.090 58.200 0.006 0.000 0.911 382 S CB 0.199 63.392 63.200 -0.013 0.000 0.780 382 S HN 0.087 nan 8.310 nan 0.000 0.514 383 L N 2.728 123.966 121.223 0.025 0.000 2.417 383 L HA 0.238 4.579 4.340 0.002 0.000 0.268 383 L C 1.163 178.063 176.870 0.050 0.000 1.158 383 L CA -0.618 54.240 54.840 0.030 0.000 0.819 383 L CB 0.353 42.437 42.059 0.041 0.000 1.112 383 L HN 0.173 nan 8.230 nan 0.000 0.458 384 T N -2.896 111.680 114.554 0.036 0.000 2.802 384 T HA -0.040 4.311 4.350 0.002 0.000 0.305 384 T C 1.044 175.784 174.700 0.067 0.000 1.053 384 T CA -0.121 62.007 62.100 0.047 0.000 1.058 384 T CB 0.678 69.566 68.868 0.033 0.000 0.988 384 T HN 0.682 nan 8.240 nan 0.000 0.539 385 H N 0.990 120.060 119.070 -0.000 0.000 2.352 385 H HA -0.091 4.467 4.556 0.002 0.000 0.299 385 H C 2.481 177.824 175.328 0.024 0.000 1.097 385 H CA 2.256 58.300 56.048 -0.007 0.000 1.311 385 H CB -0.105 29.613 29.762 -0.074 0.000 1.377 385 H HN 0.732 nan 8.280 nan 0.000 0.504 386 R N 0.136 120.599 120.500 -0.061 0.000 2.091 386 R HA -0.158 4.183 4.340 0.002 0.000 0.238 386 R C 2.336 178.589 176.300 -0.078 0.000 1.136 386 R CA 2.033 58.082 56.100 -0.084 0.000 0.959 386 R CB -0.076 30.225 30.300 0.002 0.000 0.856 386 R HN 0.520 nan 8.270 nan 0.000 0.437 387 Q N -0.425 119.356 119.800 -0.032 0.000 2.119 387 Q HA -0.111 4.231 4.340 0.002 0.000 0.201 387 Q C 2.230 178.252 176.000 0.037 0.000 0.972 387 Q CA 1.540 57.342 55.803 -0.002 0.000 0.847 387 Q CB 0.005 28.746 28.738 0.004 0.000 0.903 387 Q HN 0.345 nan 8.270 nan 0.000 0.433 388 R N 0.224 120.760 120.500 0.061 0.000 2.083 388 R HA -0.174 4.167 4.340 0.002 0.000 0.237 388 R C 2.295 178.702 176.300 0.177 0.000 1.137 388 R CA 1.237 57.480 56.100 0.239 0.000 0.951 388 R CB -0.448 29.997 30.300 0.243 0.000 0.851 388 R HN 0.173 nan 8.270 nan 0.000 0.434 389 L N 0.712 121.880 121.223 -0.092 0.000 2.017 389 L HA -0.099 4.242 4.340 0.002 0.000 0.208 389 L C 2.264 179.159 176.870 0.042 0.000 1.073 389 L CA 2.014 56.805 54.840 -0.082 0.000 0.745 389 L CB -0.670 41.255 42.059 -0.223 0.000 0.894 389 L HN 0.146 nan 8.230 nan 0.000 0.432 390 A N -0.503 122.334 122.820 0.028 0.000 1.908 390 A HA -0.288 4.034 4.320 0.002 0.000 0.218 390 A C 2.469 180.110 177.584 0.094 0.000 1.181 390 A CA 2.112 54.180 52.037 0.052 0.000 0.627 390 A CB -0.674 18.341 19.000 0.025 0.000 0.818 390 A HN 0.525 nan 8.150 nan 0.000 0.445 391 K N -0.397 120.075 120.400 0.120 0.000 2.057 391 K HA -0.062 4.260 4.320 0.002 0.000 0.207 391 K C 2.152 178.898 176.600 0.243 0.000 1.049 391 K CA 1.227 57.599 56.287 0.142 0.000 0.931 391 K CB -0.347 32.214 32.500 0.102 0.000 0.714 391 K HN 0.352 nan 8.250 nan 0.000 0.440 392 A N 1.217 124.245 122.820 0.346 0.000 1.902 392 A HA -0.141 4.181 4.320 0.002 0.000 0.217 392 A C 2.086 179.863 177.584 0.322 0.000 1.181 392 A CA 1.571 53.832 52.037 0.373 0.000 0.623 392 A CB -0.566 18.651 19.000 0.362 0.000 0.818 392 A HN 0.357 nan 8.150 nan 0.000 0.443 393 I N -0.421 120.321 120.570 0.286 0.000 2.252 393 I HA -0.229 3.943 4.170 0.002 0.000 0.245 393 I C 2.968 179.224 176.117 0.233 0.000 1.102 393 I CA 0.897 62.405 61.300 0.347 0.000 1.385 393 I CB -0.333 37.800 38.000 0.222 0.000 1.064 393 I HN 0.353 nan 8.210 nan 0.000 0.414 394 A N 0.664 123.570 122.820 0.143 0.000 1.865 394 A HA -0.241 4.081 4.320 0.002 0.000 0.217 394 A C 2.232 179.842 177.584 0.044 0.000 1.191 394 A CA 1.858 53.943 52.037 0.080 0.000 0.623 394 A CB -0.629 18.404 19.000 0.055 0.000 0.826 394 A HN 0.442 nan 8.150 nan 0.000 0.444 395 E N -0.907 119.326 120.200 0.055 0.000 2.106 395 E HA -0.079 4.273 4.350 0.002 0.000 0.192 395 E C 2.137 178.690 176.600 -0.079 0.000 0.984 395 E CA 0.678 57.087 56.400 0.015 0.000 0.806 395 E CB -0.344 29.397 29.700 0.068 0.000 0.750 395 E HN 0.614 nan 8.360 nan 0.000 0.458 396 G N 1.337 110.030 108.800 -0.179 0.000 2.408 396 G HA2 -0.292 3.670 3.960 0.002 0.000 0.217 396 G HA3 -0.292 3.670 3.960 0.002 0.000 0.217 396 G C 1.729 176.226 174.900 -0.672 0.000 1.150 396 G CA 1.087 45.754 45.100 -0.723 0.000 0.776 396 G HN 0.375 nan 8.290 nan 0.000 0.542 397 S N 0.576 116.120 115.700 -0.260 0.000 2.423 397 S HA -0.046 4.426 4.470 0.002 0.000 0.231 397 S C 1.876 176.445 174.600 -0.052 0.000 1.014 397 S CA 1.495 59.663 58.200 -0.053 0.000 0.965 397 S CB -0.238 63.001 63.200 0.065 0.000 0.785 397 S HN 0.551 nan 8.310 nan 0.000 0.495 398 E N 0.592 120.752 120.200 -0.068 0.000 2.347 398 E HA 0.103 4.455 4.350 0.002 0.000 0.196 398 E C 1.629 178.189 176.600 -0.067 0.000 1.008 398 E CA 0.991 57.359 56.400 -0.054 0.000 0.852 398 E CB -0.146 29.526 29.700 -0.047 0.000 0.783 398 E HN 0.658 nan 8.360 nan 0.000 0.505 399 I N -0.617 119.902 120.570 -0.084 0.000 2.947 399 I HA -0.055 4.116 4.170 0.002 0.000 0.263 399 I C 1.721 177.803 176.117 -0.059 0.000 1.130 399 I CA 0.453 61.705 61.300 -0.080 0.000 1.448 399 I CB 0.196 38.152 38.000 -0.075 0.000 1.222 399 I HN 0.129 nan 8.210 nan 0.000 0.453 400 H N 0.857 119.972 119.070 0.075 0.000 2.652 400 H HA 0.324 4.882 4.556 0.003 0.000 0.274 400 H C 0.822 176.180 175.328 0.051 0.000 1.021 400 H CA 0.806 56.958 56.048 0.174 0.000 1.187 400 H CB 0.727 30.621 29.762 0.220 0.000 1.505 400 H HN 0.380 nan 8.280 nan 0.000 0.530 401 G N 1.262 110.106 108.800 0.074 0.000 2.728 401 G HA2 -0.254 3.708 3.960 0.002 0.000 0.294 401 G HA3 -0.254 3.708 3.960 0.002 0.000 0.294 401 G C 0.696 175.593 174.900 -0.004 0.000 1.342 401 G CA -0.058 45.057 45.100 0.025 0.000 0.866 401 G HN 0.331 nan 8.290 nan 0.000 0.534 402 E N 0.532 120.722 120.200 -0.018 0.000 2.209 402 E HA -0.200 4.151 4.350 0.002 0.000 0.196 402 E C 2.524 179.075 176.600 -0.082 0.000 0.993 402 E CA 1.463 57.850 56.400 -0.023 0.000 0.819 402 E CB -0.173 29.516 29.700 -0.017 0.000 0.745 402 E HN 0.669 nan 8.360 nan 0.000 0.477 403 K N 0.297 120.586 120.400 -0.185 0.000 2.211 403 K HA -0.235 4.087 4.320 0.002 0.000 0.204 403 K C 1.849 178.060 176.600 -0.648 0.000 1.047 403 K CA 1.392 57.439 56.287 -0.401 0.000 0.935 403 K CB -0.454 31.748 32.500 -0.495 0.000 0.728 403 K HN 0.144 nan 8.250 nan 0.000 0.452 404 Y N 3.171 123.094 120.300 -0.629 0.000 2.403 404 Y HA -0.181 4.371 4.550 0.003 0.000 0.291 404 Y C 2.340 178.264 175.900 0.041 0.000 1.143 404 Y CA 1.924 59.794 58.100 -0.384 0.000 1.257 404 Y CB -0.076 38.312 38.460 -0.121 0.000 0.984 404 Y HN 0.403 nan 8.280 nan 0.000 0.550 405 T N -2.083 112.527 114.554 0.094 0.000 3.081 405 T HA 0.217 4.568 4.350 0.002 0.000 0.250 405 T C 0.681 175.432 174.700 0.084 0.000 1.100 405 T CA -0.258 61.908 62.100 0.111 0.000 1.038 405 T CB -0.030 68.890 68.868 0.087 0.000 0.962 405 T HN 0.029 nan 8.240 nan 0.000 0.516 406 R N 1.238 121.780 120.500 0.069 0.000 2.720 406 R HA 0.391 4.733 4.340 0.002 0.000 0.272 406 R C -0.423 176.000 176.300 0.204 0.000 0.991 406 R CA -0.600 55.549 56.100 0.081 0.000 1.010 406 R CB 0.545 30.855 30.300 0.017 0.000 1.141 406 R HN 0.137 nan 8.270 nan 0.000 0.494 407 D N 0.633 121.128 120.400 0.157 0.000 2.870 407 D HA -0.180 4.461 4.640 0.002 0.000 0.228 407 D C -0.445 175.972 176.300 0.195 0.000 1.147 407 D CA 0.982 55.101 54.000 0.197 0.000 0.757 407 D CB -1.020 39.940 40.800 0.265 0.000 1.091 407 D HN 0.433 nan 8.370 nan 0.000 0.429 408 I N 0.812 121.413 120.570 0.051 0.000 2.352 408 I HA 0.025 4.196 4.170 0.002 0.000 0.290 408 I C 1.579 177.653 176.117 -0.072 0.000 1.036 408 I CA -0.049 61.165 61.300 -0.143 0.000 1.336 408 I CB 1.399 39.289 38.000 -0.184 0.000 1.407 408 I HN -0.173 nan 8.210 nan 0.000 0.497 409 S N 3.244 118.896 115.700 -0.080 0.000 2.398 409 S HA 0.099 4.571 4.470 0.002 0.000 0.220 409 S C 0.489 175.091 174.600 0.004 0.000 1.046 409 S CA 0.388 58.576 58.200 -0.021 0.000 0.953 409 S CB 0.262 63.456 63.200 -0.010 0.000 0.856 409 S HN 0.844 nan 8.310 nan 0.000 0.506 410 S N 0.177 115.893 115.700 0.027 0.000 2.636 410 S HA 0.700 5.172 4.470 0.002 0.000 0.268 410 S C -1.126 173.567 174.600 0.155 0.000 1.159 410 S CA -0.403 57.845 58.200 0.081 0.000 0.815 410 S CB 1.559 64.813 63.200 0.089 0.000 1.130 410 S HN 0.542 nan 8.310 nan 0.000 0.471 411 S N 0.149 115.953 115.700 0.172 0.000 2.596 411 S HA 0.874 5.346 4.470 0.002 0.000 0.270 411 S C -1.605 173.108 174.600 0.189 0.000 1.155 411 S CA -0.870 57.487 58.200 0.261 0.000 0.827 411 S CB 1.460 64.795 63.200 0.225 0.000 1.130 411 S HN 1.732 nan 8.310 nan 0.000 0.467 412 F N 1.311 121.291 119.950 0.050 0.000 2.639 412 F HA 0.621 5.149 4.527 0.001 0.000 0.320 412 F C -0.844 174.987 175.800 0.052 0.000 1.128 412 F CA 0.100 57.997 58.000 -0.171 0.000 1.037 412 F CB 1.825 40.643 39.000 -0.304 0.000 1.288 412 F HN 1.092 nan 8.300 nan 0.000 0.463 413 S N 3.420 118.825 115.700 -0.492 0.000 2.599 413 S HA 0.999 5.470 4.470 0.002 0.000 0.294 413 S C -0.678 173.710 174.600 -0.353 0.000 1.094 413 S CA -0.438 57.653 58.200 -0.181 0.000 0.931 413 S CB 1.966 65.210 63.200 0.074 0.000 1.093 413 S HN 1.178 nan 8.310 nan 0.000 0.488 414 G N -0.194 108.523 108.800 -0.140 0.000 2.591 414 G HA2 0.605 4.566 3.960 0.002 0.000 0.306 414 G HA3 0.605 4.566 3.960 0.002 0.000 0.306 414 G C -1.409 173.411 174.900 -0.134 0.000 1.334 414 G CA -0.708 44.285 45.100 -0.178 0.000 0.981 414 G HN 0.841 nan 8.290 nan 0.000 0.491 415 S N 0.601 116.202 115.700 -0.165 0.000 2.707 415 S HA 0.320 4.792 4.470 0.002 0.000 0.303 415 S C 0.216 174.750 174.600 -0.110 0.000 1.132 415 S CA -0.727 57.443 58.200 -0.051 0.000 1.046 415 S CB 0.519 63.748 63.200 0.047 0.000 1.004 415 S HN 0.591 nan 8.310 nan 0.000 0.483 416 W N 3.557 124.903 121.300 0.076 0.000 2.402 416 W HA 0.056 4.718 4.660 0.004 0.000 0.286 416 W C 2.403 178.917 176.519 -0.009 0.000 1.221 416 W CA 0.312 57.682 57.345 0.041 0.000 1.257 416 W CB 0.015 29.476 29.460 0.001 0.000 1.120 416 W HN 0.571 nan 8.180 nan 0.000 0.551 417 R N 0.243 120.827 120.500 0.140 0.000 2.152 417 R HA -0.064 4.278 4.340 0.002 0.000 0.232 417 R C 1.503 177.820 176.300 0.028 0.000 1.117 417 R CA 0.832 56.961 56.100 0.049 0.000 0.981 417 R CB -0.196 30.103 30.300 -0.003 0.000 0.870 417 R HN 0.080 nan 8.270 nan 0.000 0.451 418 R N 0.134 120.641 120.500 0.012 0.000 2.388 418 R HA 0.133 4.474 4.340 0.002 0.000 0.247 418 R C -0.112 176.155 176.300 -0.055 0.000 0.931 418 R CA 0.203 56.289 56.100 -0.022 0.000 1.082 418 R CB 0.731 31.018 30.300 -0.022 0.000 1.135 418 R HN -0.039 nan 8.270 nan 0.000 0.525 419 T N 1.438 115.965 114.554 -0.044 0.000 2.758 419 T HA 0.191 4.542 4.350 0.002 0.000 0.285 419 T C 0.099 174.751 174.700 -0.079 0.000 0.981 419 T CA -0.444 61.596 62.100 -0.100 0.000 0.965 419 T CB 2.208 70.973 68.868 -0.172 0.000 0.927 419 T HN -0.046 nan 8.240 nan 0.000 0.448 420 K N 2.430 122.722 120.400 -0.180 0.000 2.489 420 K HA 0.017 4.338 4.320 0.002 0.000 0.278 420 K C -0.257 176.191 176.600 -0.254 0.000 1.000 420 K CA 0.224 56.297 56.287 -0.356 0.000 1.012 420 K CB 0.041 32.214 32.500 -0.546 0.000 0.903 420 K HN 0.697 nan 8.250 nan 0.000 0.485 421 Y N 0.298 120.594 120.300 -0.007 0.000 4.936 421 Y HA -0.337 4.214 4.550 0.002 0.000 0.260 421 Y C 0.927 176.841 175.900 0.023 0.000 0.928 421 Y CA 1.045 59.138 58.100 -0.011 0.000 1.869 421 Y CB -2.128 36.315 38.460 -0.028 0.000 1.344 421 Y HN 0.622 nan 8.280 nan 0.000 0.521 422 S N -1.647 114.160 115.700 0.178 0.000 3.249 422 S HA 0.107 4.579 4.470 0.002 0.000 0.237 422 S C 0.840 175.601 174.600 0.268 0.000 1.007 422 S CA 0.164 58.505 58.200 0.234 0.000 0.811 422 S CB 0.515 63.972 63.200 0.428 0.000 0.832 422 S HN 0.414 nan 8.310 nan 0.000 0.573 423 E N 0.950 121.280 120.200 0.217 0.000 2.660 423 E HA -0.171 4.181 4.350 0.002 0.000 0.260 423 E C -0.459 176.207 176.600 0.110 0.000 1.122 423 E CA 0.707 57.213 56.400 0.178 0.000 0.755 423 E CB -1.195 28.621 29.700 0.194 0.000 1.345 423 E HN 0.265 nan 8.360 nan 0.000 0.421 424 S N -2.857 112.914 115.700 0.118 0.000 2.678 424 S HA 0.518 4.989 4.470 0.002 0.000 0.290 424 S C 0.085 174.661 174.600 -0.041 0.000 1.047 424 S CA -0.031 58.129 58.200 -0.066 0.000 0.851 424 S CB 1.378 64.435 63.200 -0.238 0.000 1.058 424 S HN 0.278 nan 8.310 nan 0.000 0.451 425 A N 2.109 124.760 122.820 -0.281 0.000 1.935 425 A HA 0.538 4.860 4.320 0.002 0.000 0.214 425 A C 0.242 177.660 177.584 -0.277 0.000 1.178 425 A CA 1.425 53.159 52.037 -0.504 0.000 0.640 425 A CB -0.397 17.982 19.000 -1.034 0.000 0.825 425 A HN 1.598 nan 8.150 nan 0.000 0.447 426 W N -4.631 116.628 121.300 -0.067 0.000 3.079 426 W HA 0.615 5.277 4.660 0.003 0.000 0.329 426 W C -0.707 175.772 176.519 -0.067 0.000 1.181 426 W CA -1.160 56.152 57.345 -0.055 0.000 1.160 426 W CB 0.156 29.590 29.460 -0.043 0.000 1.423 426 W HN 0.235 nan 8.180 nan 0.000 0.566 427 A N 1.735 124.706 122.820 0.251 0.000 2.310 427 A HA 0.739 5.060 4.320 0.002 0.000 0.299 427 A C -0.919 176.726 177.584 0.102 0.000 1.147 427 A CA -0.769 51.275 52.037 0.010 0.000 0.818 427 A CB 0.370 19.247 19.000 -0.205 0.000 1.096 427 A HN 0.630 nan 8.150 nan 0.000 0.495 428 N N 0.761 119.455 118.700 -0.010 0.000 2.443 428 N HA 0.362 5.104 4.740 0.002 0.000 0.269 428 N C -1.600 173.896 175.510 -0.022 0.000 0.985 428 N CA -0.203 52.889 53.050 0.071 0.000 0.921 428 N CB 0.997 39.558 38.487 0.124 0.000 1.195 428 N HN 0.733 nan 8.380 nan 0.000 0.492 429 W N 2.249 123.622 121.300 0.121 0.000 2.304 429 W HA 0.406 5.068 4.660 0.003 0.000 0.313 429 W C 0.577 177.138 176.519 0.071 0.000 1.323 429 W CA -0.603 56.805 57.345 0.104 0.000 1.223 429 W CB 0.460 29.987 29.460 0.111 0.000 1.237 429 W HN 0.402 nan 8.180 nan 0.000 0.535 430 A N 3.219 126.196 122.820 0.263 0.000 2.520 430 A HA 0.455 4.777 4.320 0.002 0.000 0.245 430 A C 1.313 179.003 177.584 0.178 0.000 1.072 430 A CA 0.808 52.949 52.037 0.172 0.000 0.761 430 A CB -0.387 18.689 19.000 0.125 0.000 1.004 430 A HN 1.596 nan 8.150 nan 0.000 0.499 431 G N 1.588 110.463 108.800 0.124 0.000 2.176 431 G HA2 -0.180 3.781 3.960 0.002 0.000 0.253 431 G HA3 -0.180 3.781 3.960 0.002 0.000 0.253 431 G C 0.640 175.589 174.900 0.082 0.000 0.979 431 G CA 0.927 46.083 45.100 0.093 0.000 0.641 431 G HN 2.082 nan 8.290 nan 0.000 0.530 441 T N 0.258 114.664 114.554 -0.248 0.000 2.868 441 T HA 0.539 4.890 4.350 0.002 0.000 0.292 441 T C -1.690 172.978 174.700 -0.054 0.000 1.028 441 T CA -1.009 61.032 62.100 -0.097 0.000 1.059 441 T CB 0.725 69.577 68.868 -0.027 0.000 0.991 441 T HN 0.241 nan 8.240 nan 0.000 0.531 442 P HA -0.051 nan 4.420 nan 0.000 0.216 442 P C 1.174 178.481 177.300 0.012 0.000 1.150 442 P CA 0.989 64.094 63.100 0.009 0.000 0.837 442 P CB 0.072 31.787 31.700 0.024 0.000 0.786 443 E N -1.670 118.553 120.200 0.039 0.000 2.072 443 E HA -0.188 4.164 4.350 0.002 0.000 0.191 443 E C 1.986 178.548 176.600 -0.063 0.000 0.985 443 E CA 0.934 57.384 56.400 0.083 0.000 0.801 443 E CB -1.174 28.688 29.700 0.270 0.000 0.750 443 E HN 0.334 nan 8.360 nan 0.000 0.452 444 Y N 1.838 121.795 120.300 -0.572 0.000 2.097 444 Y HA -0.268 4.283 4.550 0.002 0.000 0.282 444 Y C 1.928 177.597 175.900 -0.384 0.000 1.152 444 Y CA 1.952 59.499 58.100 -0.922 0.000 1.136 444 Y CB 0.056 37.781 38.460 -1.226 0.000 0.975 444 Y HN 0.021 nan 8.280 nan 0.000 0.498 445 E N -0.068 120.126 120.200 -0.010 0.000 2.085 445 E HA -0.278 4.073 4.350 0.002 0.000 0.194 445 E C 2.090 178.652 176.600 -0.062 0.000 0.994 445 E CA 1.442 57.835 56.400 -0.011 0.000 0.801 445 E CB -0.201 29.515 29.700 0.026 0.000 0.743 445 E HN 0.222 nan 8.360 nan 0.000 0.453 446 K N 1.390 121.765 120.400 -0.041 0.000 2.063 446 K HA -0.125 4.197 4.320 0.002 0.000 0.208 446 K C 1.761 178.352 176.600 -0.013 0.000 1.048 446 K CA 1.175 57.453 56.287 -0.016 0.000 0.928 446 K CB -0.250 32.257 32.500 0.013 0.000 0.713 446 K HN 0.086 nan 8.250 nan 0.000 0.442 447 L N 0.635 121.833 121.223 -0.043 0.000 2.610 447 L HA 0.059 4.400 4.340 0.002 0.000 0.232 447 L C 1.582 178.464 176.870 0.020 0.000 1.149 447 L CA 0.097 54.945 54.840 0.012 0.000 0.872 447 L CB -0.140 41.898 42.059 -0.034 0.000 0.992 447 L HN 0.135 nan 8.230 nan 0.000 0.447 448 L N -1.109 120.056 121.223 -0.095 0.000 2.395 448 L HA 0.009 4.350 4.340 0.002 0.000 0.218 448 L C 0.849 177.683 176.870 -0.060 0.000 1.130 448 L CA 0.314 55.103 54.840 -0.084 0.000 0.826 448 L CB -0.227 41.756 42.059 -0.125 0.000 0.941 448 L HN 0.189 nan 8.230 nan 0.000 0.451 449 E N 1.617 121.782 120.200 -0.059 0.000 2.331 449 E HA 0.223 4.575 4.350 0.002 0.000 0.272 449 E C -2.089 174.401 176.600 -0.185 0.000 1.036 449 E CA -2.153 54.178 56.400 -0.114 0.000 0.864 449 E CB 0.341 29.996 29.700 -0.076 0.000 1.035 449 E HN -0.025 nan 8.360 nan 0.000 0.408 450 P HA 0.036 nan 4.420 nan 0.000 0.269 450 P C -0.286 176.813 177.300 -0.335 0.000 1.209 450 P CA -0.199 62.508 63.100 -0.656 0.000 0.776 450 P CB 0.566 31.686 31.700 -0.966 0.000 0.876 451 V N 3.501 123.227 119.914 -0.314 0.000 2.270 451 V HA 0.101 4.223 4.120 0.002 0.000 0.263 451 V C 0.755 176.749 176.094 -0.167 0.000 1.066 451 V CA 0.053 62.257 62.300 -0.161 0.000 0.857 451 V CB -0.370 31.403 31.823 -0.083 0.000 1.099 451 V HN 0.681 nan 8.190 nan 0.000 0.476 452 D N 2.993 123.312 120.400 -0.134 0.000 4.334 452 D HA -0.254 4.387 4.640 0.002 0.000 0.183 452 D C 1.256 177.497 176.300 -0.100 0.000 0.667 452 D CA 1.860 55.801 54.000 -0.098 0.000 1.106 452 D CB -0.262 40.496 40.800 -0.070 0.000 0.544 452 D HN 0.490 nan 8.370 nan 0.000 0.458 453 K N 0.731 121.085 120.400 -0.077 0.000 2.372 453 K HA 0.328 4.650 4.320 0.002 0.000 0.200 453 K C 0.396 177.052 176.600 0.093 0.000 1.022 453 K CA -0.002 56.294 56.287 0.015 0.000 1.125 453 K CB 0.699 33.103 32.500 -0.159 0.000 0.855 453 K HN 0.427 nan 8.250 nan 0.000 0.524 454 I N 1.255 121.762 120.570 -0.105 0.000 2.336 454 I HA 0.196 4.367 4.170 0.002 0.000 0.292 454 I C -0.615 175.272 176.117 -0.384 0.000 0.991 454 I CA -0.828 60.361 61.300 -0.184 0.000 1.227 454 I CB 0.653 38.472 38.000 -0.302 0.000 1.366 454 I HN -0.085 nan 8.210 nan 0.000 0.466 455 Y N 5.382 125.510 120.300 -0.286 0.000 2.364 455 Y HA 0.471 5.022 4.550 0.002 0.000 0.340 455 Y C -0.318 175.370 175.900 -0.353 0.000 0.975 455 Y CA -0.696 57.248 58.100 -0.260 0.000 1.089 455 Y CB 1.565 39.962 38.460 -0.105 0.000 1.192 455 Y HN 0.304 nan 8.280 nan 0.000 0.454 456 F N 2.082 122.101 119.950 0.115 0.000 2.385 456 F HA 0.714 5.242 4.527 0.002 0.000 0.336 456 F C 0.323 176.156 175.800 0.055 0.000 1.100 456 F CA -0.602 57.450 58.000 0.088 0.000 1.116 456 F CB 1.181 40.231 39.000 0.084 0.000 1.166 456 F HN 0.481 nan 8.300 nan 0.000 0.511 457 A N 1.294 124.250 122.820 0.226 0.000 2.587 457 A HA 0.948 5.270 4.320 0.002 0.000 0.293 457 A C -0.420 177.208 177.584 0.075 0.000 1.087 457 A CA -0.121 51.963 52.037 0.079 0.000 0.692 457 A CB 1.731 20.752 19.000 0.035 0.000 1.291 457 A HN 1.403 nan 8.150 nan 0.000 0.407 458 G N 0.195 108.981 108.800 -0.023 0.000 2.352 458 G HA2 0.443 4.405 3.960 0.002 0.000 0.302 458 G HA3 0.443 4.405 3.960 0.002 0.000 0.302 458 G C -0.152 174.760 174.900 0.019 0.000 1.370 458 G CA 0.485 45.623 45.100 0.063 0.000 0.918 458 G HN 1.187 nan 8.290 nan 0.000 0.610 459 D N -0.653 119.844 120.400 0.163 0.000 2.218 459 D HA -0.171 4.470 4.640 0.002 0.000 0.204 459 D C 1.710 178.167 176.300 0.261 0.000 0.976 459 D CA 2.043 56.149 54.000 0.177 0.000 0.853 459 D CB -0.631 40.276 40.800 0.178 0.000 0.939 459 D HN 0.711 nan 8.370 nan 0.000 0.481 460 H N 0.579 119.803 119.070 0.256 0.000 2.491 460 H HA 0.010 4.568 4.556 0.003 0.000 0.290 460 H C 1.310 177.013 175.328 0.625 0.000 1.050 460 H CA 0.383 56.690 56.048 0.432 0.000 1.309 460 H CB -0.638 29.294 29.762 0.283 0.000 1.392 460 H HN 0.217 nan 8.280 nan 0.000 0.554 461 L N 2.402 123.530 121.223 -0.157 0.000 3.036 461 L HA 0.210 4.552 4.340 0.002 0.000 0.237 461 L C 0.195 177.039 176.870 -0.044 0.000 1.319 461 L CA -0.338 54.337 54.840 -0.276 0.000 1.112 461 L CB 0.086 41.881 42.059 -0.440 0.000 1.480 461 L HN 0.272 nan 8.230 nan 0.000 0.506 462 S N -2.776 113.094 115.700 0.284 0.000 2.685 462 S HA 0.402 4.873 4.470 0.002 0.000 0.282 462 S C 0.110 174.906 174.600 0.327 0.000 1.159 462 S CA -0.917 57.447 58.200 0.273 0.000 0.833 462 S CB 1.500 64.794 63.200 0.157 0.000 1.151 462 S HN 0.140 nan 8.310 nan 0.000 0.485 463 N N 0.658 119.488 118.700 0.217 0.000 2.295 463 N HA 0.322 5.063 4.740 0.002 0.000 0.221 463 N C -0.105 175.515 175.510 0.183 0.000 1.129 463 N CA 0.387 53.526 53.050 0.148 0.000 0.836 463 N CB 0.942 39.482 38.487 0.088 0.000 1.040 463 N HN 0.753 nan 8.380 nan 0.000 0.494 464 A N 0.805 123.771 122.820 0.242 0.000 3.308 464 A HA 0.350 4.672 4.320 0.002 0.000 0.275 464 A C 0.221 178.036 177.584 0.384 0.000 0.950 464 A CA -0.506 51.727 52.037 0.327 0.000 0.987 464 A CB -0.112 19.065 19.000 0.294 0.000 1.146 464 A HN 0.099 nan 8.150 nan 0.000 0.488 465 I N 0.735 121.489 120.570 0.307 0.000 2.710 465 I HA 0.202 4.373 4.170 0.002 0.000 0.286 465 I C 1.456 177.611 176.117 0.063 0.000 1.181 465 I CA 1.081 62.521 61.300 0.235 0.000 1.430 465 I CB 0.870 39.025 38.000 0.258 0.000 1.367 465 I HN 0.885 nan 8.210 nan 0.000 0.577 466 A N 4.214 127.018 122.820 -0.025 0.000 2.945 466 A HA -0.190 4.132 4.320 0.002 0.000 0.251 466 A C -0.583 176.642 177.584 -0.599 0.000 1.355 466 A CA 0.778 52.617 52.037 -0.329 0.000 0.905 466 A CB -2.145 16.318 19.000 -0.894 0.000 1.104 466 A HN 0.773 nan 8.150 nan 0.000 0.733 467 W N -1.018 120.315 121.300 0.055 0.000 2.883 467 W HA 0.622 5.284 4.660 0.003 0.000 0.335 467 W C 1.066 177.640 176.519 0.092 0.000 1.083 467 W CA -0.355 57.051 57.345 0.102 0.000 1.233 467 W CB 0.912 30.459 29.460 0.145 0.000 1.412 467 W HN 0.246 nan 8.180 nan 0.000 0.490 468 Q N 0.314 120.327 119.800 0.355 0.000 2.152 468 Q HA -0.317 4.024 4.340 0.002 0.000 0.206 468 Q C 1.767 177.901 176.000 0.223 0.000 0.985 468 Q CA 2.156 58.114 55.803 0.259 0.000 0.863 468 Q CB -0.218 28.713 28.738 0.321 0.000 0.904 468 Q HN 0.620 nan 8.270 nan 0.000 0.422 469 H N -0.103 119.030 119.070 0.106 0.000 2.353 469 H HA -0.138 4.419 4.556 0.002 0.000 0.298 469 H C 1.963 177.284 175.328 -0.012 0.000 1.103 469 H CA 1.977 57.980 56.048 -0.076 0.000 1.293 469 H CB -0.419 28.942 29.762 -0.669 0.000 1.372 469 H HN 0.293 nan 8.280 nan 0.000 0.501 470 G N -0.283 108.563 108.800 0.078 0.000 2.421 470 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 470 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 470 G C 1.916 176.822 174.900 0.010 0.000 1.171 470 G CA 0.921 46.058 45.100 0.061 0.000 0.775 470 G HN 0.621 nan 8.290 nan 0.000 0.543 471 A N 0.473 123.315 122.820 0.037 0.000 1.902 471 A HA 0.120 4.442 4.320 0.002 0.000 0.217 471 A C 2.448 180.003 177.584 -0.049 0.000 1.181 471 A CA 1.289 53.328 52.037 0.002 0.000 0.623 471 A CB -0.372 18.630 19.000 0.003 0.000 0.818 471 A HN 0.354 nan 8.150 nan 0.000 0.443 472 L N -0.192 120.999 121.223 -0.053 0.000 2.072 472 L HA -0.134 4.208 4.340 0.002 0.000 0.205 472 L C 3.002 179.830 176.870 -0.070 0.000 1.079 472 L CA 1.753 56.550 54.840 -0.072 0.000 0.752 472 L CB -0.986 41.072 42.059 -0.002 0.000 0.906 472 L HN 0.627 nan 8.230 nan 0.000 0.436 473 T N -4.090 110.368 114.554 -0.160 0.000 2.821 473 T HA -0.181 4.170 4.350 0.002 0.000 0.267 473 T C 2.086 176.733 174.700 -0.088 0.000 1.046 473 T CA 1.338 63.346 62.100 -0.154 0.000 1.139 473 T CB -0.340 68.355 68.868 -0.287 0.000 0.871 473 T HN 0.217 nan 8.240 nan 0.000 0.454 474 S N 1.644 117.299 115.700 -0.074 0.000 2.348 474 S HA -0.028 4.443 4.470 0.002 0.000 0.221 474 S C 2.514 177.082 174.600 -0.052 0.000 1.033 474 S CA 1.437 59.608 58.200 -0.049 0.000 1.010 474 S CB -1.060 62.112 63.200 -0.046 0.000 0.891 474 S HN 0.747 nan 8.310 nan 0.000 0.442 475 A N 1.728 124.507 122.820 -0.067 0.000 1.892 475 A HA -0.157 4.164 4.320 0.002 0.000 0.218 475 A C 2.249 179.781 177.584 -0.086 0.000 1.188 475 A CA 1.822 53.808 52.037 -0.085 0.000 0.631 475 A CB -0.759 18.171 19.000 -0.118 0.000 0.822 475 A HN 0.652 nan 8.150 nan 0.000 0.447 476 R N -0.585 119.881 120.500 -0.057 0.000 2.081 476 R HA -0.119 4.222 4.340 0.002 0.000 0.235 476 R C 1.732 177.963 176.300 -0.115 0.000 1.131 476 R CA 1.491 57.562 56.100 -0.050 0.000 0.960 476 R CB -0.400 29.906 30.300 0.010 0.000 0.856 476 R HN 0.487 nan 8.270 nan 0.000 0.436 477 D N -0.058 120.270 120.400 -0.119 0.000 2.117 477 D HA -0.112 4.529 4.640 0.002 0.000 0.197 477 D C 1.932 178.077 176.300 -0.259 0.000 0.987 477 D CA 0.996 54.873 54.000 -0.205 0.000 0.829 477 D CB -0.161 40.572 40.800 -0.112 0.000 0.961 477 D HN -0.011 nan 8.370 nan 0.000 0.460 478 V N 0.466 120.322 119.914 -0.097 0.000 2.358 478 V HA -0.180 3.942 4.120 0.002 0.000 0.246 478 V C 2.606 178.538 176.094 -0.269 0.000 1.047 478 V CA 0.921 63.181 62.300 -0.067 0.000 1.035 478 V CB -0.341 31.460 31.823 -0.036 0.000 0.658 478 V HN 0.058 nan 8.190 nan 0.000 0.452 479 V N -0.008 119.752 119.914 -0.256 0.000 2.343 479 V HA -0.282 3.840 4.120 0.002 0.000 0.247 479 V C 2.573 178.502 176.094 -0.275 0.000 1.051 479 V CA 2.632 64.746 62.300 -0.311 0.000 1.036 479 V CB -1.019 30.654 31.823 -0.249 0.000 0.654 479 V HN 0.624 nan 8.190 nan 0.000 0.451 480 T N -1.218 113.194 114.554 -0.236 0.000 2.746 480 T HA -0.235 4.117 4.350 0.002 0.000 0.267 480 T C 1.694 176.295 174.700 -0.165 0.000 1.039 480 T CA 2.039 64.024 62.100 -0.192 0.000 1.142 480 T CB -0.383 68.346 68.868 -0.233 0.000 0.866 480 T HN 0.655 nan 8.240 nan 0.000 0.444 481 H N 0.326 119.306 119.070 -0.150 0.000 2.321 481 H HA 0.038 4.595 4.556 0.002 0.000 0.300 481 H C 2.252 177.423 175.328 -0.261 0.000 1.087 481 H CA 1.285 57.250 56.048 -0.139 0.000 1.319 481 H CB -0.204 29.517 29.762 -0.067 0.000 1.379 481 H HN 0.246 nan 8.280 nan 0.000 0.501 482 I N -0.270 120.056 120.570 -0.406 0.000 2.226 482 I HA -0.305 3.866 4.170 0.002 0.000 0.245 482 I C 2.441 178.345 176.117 -0.354 0.000 1.100 482 I CA 1.495 62.410 61.300 -0.642 0.000 1.374 482 I CB -0.210 37.232 38.000 -0.930 0.000 1.057 482 I HN 0.329 nan 8.210 nan 0.000 0.413 483 H N 1.096 119.986 119.070 -0.300 0.000 2.353 483 H HA -0.164 4.394 4.556 0.002 0.000 0.300 483 H C 2.102 177.382 175.328 -0.079 0.000 1.090 483 H CA 1.899 57.878 56.048 -0.115 0.000 1.327 483 H CB 0.054 29.771 29.762 -0.076 0.000 1.383 483 H HN 0.299 nan 8.280 nan 0.000 0.508 484 E N -0.212 119.960 120.200 -0.047 0.000 2.110 484 E HA -0.189 4.163 4.350 0.002 0.000 0.193 484 E C 2.370 178.933 176.600 -0.061 0.000 0.988 484 E CA 0.842 57.209 56.400 -0.057 0.000 0.804 484 E CB -0.005 29.706 29.700 0.018 0.000 0.745 484 E HN 0.383 nan 8.360 nan 0.000 0.458 485 R N 0.620 121.096 120.500 -0.040 0.000 2.075 485 R HA -0.111 4.230 4.340 0.002 0.000 0.232 485 R C 2.239 178.536 176.300 -0.004 0.000 1.126 485 R CA 0.992 57.099 56.100 0.011 0.000 0.963 485 R CB -0.089 30.255 30.300 0.073 0.000 0.858 485 R HN 0.012 nan 8.270 nan 0.000 0.435 486 V N 1.074 120.938 119.914 -0.084 0.000 2.343 486 V HA -0.218 3.903 4.120 0.002 0.000 0.247 486 V C 2.383 178.374 176.094 -0.172 0.000 1.051 486 V CA 1.946 64.172 62.300 -0.124 0.000 1.036 486 V CB -0.665 30.995 31.823 -0.271 0.000 0.654 486 V HN 0.549 nan 8.190 nan 0.000 0.451 487 A N -2.340 120.337 122.820 -0.238 0.000 2.067 487 A HA -0.175 4.146 4.320 0.002 0.000 0.219 487 A C 1.689 179.218 177.584 -0.091 0.000 1.158 487 A CA 1.830 53.748 52.037 -0.199 0.000 0.661 487 A CB -0.209 18.636 19.000 -0.259 0.000 0.801 487 A HN 0.618 nan 8.150 nan 0.000 0.452 488 Q N -3.900 115.866 119.800 -0.056 0.000 3.222 488 Q HA -0.206 4.135 4.340 0.002 0.000 0.210 488 Q C 0.412 176.405 176.000 -0.012 0.000 2.766 488 Q CA 3.865 59.660 55.803 -0.014 0.000 0.323 488 Q CB -1.397 27.339 28.738 -0.004 0.000 0.469 488 Q HN 1.640 nan 8.270 nan 0.000 0.462 489 E N 0.000 120.190 120.200 -0.016 0.000 2.725 489 E HA 0.000 4.351 4.350 0.002 0.000 0.291 489 E CA 0.000 nan 56.400 nan 0.000 0.976 489 E CB 0.000 nan 29.700 nan 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440