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 2c6s_1_G DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLXX DATA SEQUENCE XXXXXXXXXX XXXLKPVIKP LTEDSKKRSY NLISNDSTFT QYRSWYLAYN DATA SEQUENCE YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF RSTSQISNFP DATA SEQUENCE VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE NQILARPPAP DATA SEQUENCE TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC PYVYKALGIV DATA SEQUENCE SPRVLSSRT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.678 174.700 -0.036 0.000 1.109 49 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 49 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 50 G N 1.293 110.087 108.800 -0.011 0.000 2.559 50 G HA2 0.323 4.282 3.960 -0.001 0.000 0.216 50 G HA3 0.323 4.282 3.960 -0.001 0.000 0.216 50 G C 1.057 175.971 174.900 0.023 0.000 1.126 50 G CA 1.106 46.218 45.100 0.019 0.000 0.778 50 G HN 0.685 nan 8.290 nan 0.000 0.543 51 G N 0.390 109.188 108.800 -0.004 0.000 2.961 51 G HA2 0.217 4.176 3.960 -0.001 0.000 0.150 51 G HA3 0.217 4.176 3.960 -0.001 0.000 0.150 51 G C 0.190 175.086 174.900 -0.007 0.000 1.864 51 G CA -0.455 44.639 45.100 -0.010 0.000 0.992 51 G HN 0.169 nan 8.290 nan 0.000 0.458 52 R N 1.814 122.300 120.500 -0.023 0.000 2.215 52 R HA 0.246 4.586 4.340 -0.001 0.000 0.337 52 R C -0.483 175.826 176.300 0.016 0.000 1.010 52 R CA -0.515 55.582 56.100 -0.005 0.000 0.871 52 R CB 0.530 30.825 30.300 -0.007 0.000 1.134 52 R HN 0.652 nan 8.270 nan 0.000 0.477 53 N N -0.730 118.025 118.700 0.092 0.000 2.351 53 N HA 0.024 4.764 4.740 -0.001 0.000 0.254 53 N C -0.798 174.980 175.510 0.447 0.000 1.241 53 N CA -0.466 52.719 53.050 0.225 0.000 0.883 53 N CB 0.536 39.105 38.487 0.136 0.000 1.202 53 N HN 0.026 nan 8.380 nan 0.000 0.512 54 S N 0.884 116.753 115.700 0.282 0.000 2.548 54 S HA 0.407 4.877 4.470 -0.001 0.000 0.277 54 S C 0.284 174.966 174.600 0.136 0.000 1.315 54 S CA -0.378 57.908 58.200 0.143 0.000 1.050 54 S CB 0.752 63.947 63.200 -0.008 0.000 0.918 54 S HN 0.271 nan 8.310 nan 0.000 0.497 55 I N 3.297 123.903 120.570 0.061 0.000 2.464 55 I HA 0.334 4.503 4.170 -0.001 0.000 0.277 55 I C 0.129 176.237 176.117 -0.015 0.000 1.040 55 I CA -0.258 60.999 61.300 -0.072 0.000 1.153 55 I CB 0.752 38.651 38.000 -0.168 0.000 1.274 55 I HN 0.334 nan 8.210 nan 0.000 0.469 56 R N 3.715 124.201 120.500 -0.022 0.000 2.407 56 R HA 0.408 4.747 4.340 -0.001 0.000 0.303 56 R C -0.544 175.778 176.300 0.036 0.000 0.981 56 R CA -0.646 55.460 56.100 0.009 0.000 0.905 56 R CB 2.161 32.447 30.300 -0.023 0.000 1.099 56 R HN 0.403 nan 8.270 nan 0.000 0.459 57 Y N 1.264 121.535 120.300 -0.048 0.000 3.033 57 Y HA 0.169 4.719 4.550 -0.001 0.000 0.491 57 Y C 1.376 177.244 175.900 -0.053 0.000 1.358 57 Y CA -0.119 57.949 58.100 -0.054 0.000 1.979 57 Y CB -0.255 38.187 38.460 -0.030 0.000 1.668 57 Y HN 0.547 nan 8.280 nan 0.000 0.729 58 S N -0.396 114.535 115.700 -1.282 0.000 2.354 58 S HA 0.069 4.539 4.470 -0.001 0.000 0.209 58 S C 0.653 175.043 174.600 -0.350 0.000 1.248 58 S CA 0.230 57.932 58.200 -0.829 0.000 1.211 58 S CB -0.470 62.103 63.200 -1.044 0.000 0.896 58 S HN 0.540 nan 8.310 nan 0.000 0.447 59 E N 0.459 120.528 120.200 -0.218 0.000 2.301 59 E HA 0.159 4.509 4.350 -0.001 0.000 0.195 59 E C 0.175 176.786 176.600 0.019 0.000 1.171 59 E CA -0.276 56.085 56.400 -0.064 0.000 1.142 59 E CB 0.032 29.719 29.700 -0.021 0.000 1.218 59 E HN 0.273 nan 8.360 nan 0.000 0.448 60 L N 0.008 121.264 121.223 0.056 0.000 2.543 60 L HA 0.449 4.789 4.340 -0.001 0.000 0.181 60 L C -0.147 176.792 176.870 0.116 0.000 1.437 60 L CA 0.193 55.136 54.840 0.173 0.000 3.059 60 L CB 0.146 42.449 42.059 0.408 0.000 2.916 60 L HN -0.030 nan 8.230 nan 0.000 1.037 61 A N -0.405 122.498 122.820 0.137 0.000 2.422 61 A HA 0.730 5.050 4.320 -0.001 0.000 0.302 61 A C -2.641 175.007 177.584 0.107 0.000 1.041 61 A CA -1.247 50.854 52.037 0.105 0.000 0.708 61 A CB 0.782 19.844 19.000 0.104 0.000 1.257 61 A HN 0.327 nan 8.150 nan 0.000 0.414 62 P HA 0.377 nan 4.420 nan 0.000 0.276 62 P C -1.091 176.358 177.300 0.249 0.000 1.264 62 P CA 0.133 63.298 63.100 0.109 0.000 0.769 62 P CB 0.522 32.225 31.700 0.005 0.000 0.840 63 L N 5.725 127.081 121.223 0.222 0.000 2.335 63 L HA 0.379 4.719 4.340 -0.001 0.000 0.268 63 L C 0.293 177.352 176.870 0.316 0.000 1.037 63 L CA -0.628 54.355 54.840 0.237 0.000 0.895 63 L CB -0.184 41.936 42.059 0.101 0.000 1.266 63 L HN 0.311 nan 8.230 nan 0.000 0.439 64 F N 0.359 120.336 119.950 0.045 0.000 2.410 64 F HA 0.625 5.151 4.527 -0.001 0.000 0.348 64 F C 0.028 175.882 175.800 0.090 0.000 1.106 64 F CA -0.998 57.050 58.000 0.080 0.000 1.163 64 F CB 0.646 39.690 39.000 0.075 0.000 1.129 64 F HN 0.348 nan 8.300 nan 0.000 0.516 65 D N 1.647 122.257 120.400 0.350 0.000 9.781 65 D HA -0.178 4.462 4.640 -0.001 0.000 0.283 65 D C -0.126 176.287 176.300 0.187 0.000 2.757 65 D CA 0.861 55.020 54.000 0.266 0.000 2.589 65 D CB -0.268 40.619 40.800 0.145 0.000 1.049 65 D HN 1.164 nan 8.370 nan 0.000 0.767 66 T N 0.899 115.598 114.554 0.241 0.000 0.591 66 T HA -0.120 4.229 4.350 -0.001 0.000 0.770 66 T C -0.152 174.555 174.700 0.011 0.000 0.992 66 T CA 2.058 64.231 62.100 0.121 0.000 4.050 66 T CB -0.061 68.872 68.868 0.109 0.000 2.288 66 T HN 0.679 nan 8.240 nan 0.000 0.397 67 T N 4.406 118.925 114.554 -0.057 0.000 2.647 67 T HA 0.694 5.043 4.350 -0.001 0.000 0.295 67 T C -1.540 173.055 174.700 -0.174 0.000 1.126 67 T CA -0.986 61.051 62.100 -0.103 0.000 1.040 67 T CB 0.939 69.749 68.868 -0.097 0.000 1.472 67 T HN 0.657 nan 8.240 nan 0.000 0.500 68 R N 1.411 121.755 120.500 -0.259 0.000 2.445 68 R HA 0.652 4.992 4.340 -0.001 0.000 0.308 68 R C -0.826 175.154 176.300 -0.534 0.000 0.961 68 R CA -0.559 55.264 56.100 -0.461 0.000 0.862 68 R CB 1.078 30.942 30.300 -0.726 0.000 1.144 68 R HN 0.522 nan 8.270 nan 0.000 0.447 69 V N 1.342 120.981 119.914 -0.459 0.000 2.581 69 V HA 0.585 4.704 4.120 -0.001 0.000 0.303 69 V C -0.735 175.233 176.094 -0.211 0.000 1.041 69 V CA -1.078 61.047 62.300 -0.291 0.000 0.907 69 V CB 1.352 33.078 31.823 -0.161 0.000 0.994 69 V HN 0.574 nan 8.190 nan 0.000 0.442 70 Y N 3.179 123.454 120.300 -0.042 0.000 2.331 70 Y HA 0.667 5.217 4.550 -0.000 0.000 0.334 70 Y C -0.238 175.662 175.900 0.001 0.000 0.960 70 Y CA -0.894 57.195 58.100 -0.019 0.000 1.130 70 Y CB 1.839 40.295 38.460 -0.007 0.000 1.164 70 Y HN 0.492 nan 8.280 nan 0.000 0.458 71 L N 5.583 126.912 121.223 0.176 0.000 2.288 71 L HA 0.530 4.870 4.340 -0.001 0.000 0.283 71 L C -0.807 176.191 176.870 0.214 0.000 1.072 71 L CA -0.732 54.190 54.840 0.136 0.000 0.862 71 L CB 0.003 42.092 42.059 0.051 0.000 1.245 71 L HN 0.361 nan 8.230 nan 0.000 0.432 72 V N -0.640 119.410 119.914 0.228 0.000 2.495 72 V HA 0.300 4.420 4.120 -0.001 0.000 0.298 72 V C 0.242 176.503 176.094 0.279 0.000 1.031 72 V CA -0.749 61.677 62.300 0.209 0.000 0.871 72 V CB 1.661 33.528 31.823 0.074 0.000 0.988 72 V HN 0.718 nan 8.190 nan 0.000 0.432 73 D N 1.826 122.330 120.400 0.172 0.000 2.213 73 D HA -0.109 4.530 4.640 -0.001 0.000 0.205 73 D C 1.350 177.599 176.300 -0.085 0.000 0.961 73 D CA 1.009 54.917 54.000 -0.153 0.000 0.853 73 D CB -0.172 40.333 40.800 -0.493 0.000 0.967 73 D HN 0.580 nan 8.370 nan 0.000 0.496 74 N N -0.161 118.538 118.700 -0.002 0.000 2.571 74 N HA -0.043 4.696 4.740 -0.001 0.000 0.189 74 N C -0.122 175.386 175.510 -0.003 0.000 1.154 74 N CA 0.043 53.093 53.050 -0.001 0.000 0.907 74 N CB 0.077 38.569 38.487 0.007 0.000 0.977 74 N HN 0.001 nan 8.380 nan 0.000 0.449 75 K N 1.196 121.601 120.400 0.010 0.000 2.402 75 K HA -0.006 4.314 4.320 -0.001 0.000 0.279 75 K C 0.638 177.242 176.600 0.006 0.000 1.082 75 K CA 0.073 56.367 56.287 0.012 0.000 1.080 75 K CB 0.569 33.088 32.500 0.033 0.000 0.899 75 K HN 0.192 nan 8.250 nan 0.000 0.469 76 S N 1.784 117.484 115.700 0.000 0.000 2.387 76 S HA -0.214 4.256 4.470 -0.001 0.000 0.230 76 S C 2.041 176.641 174.600 -0.001 0.000 1.035 76 S CA 2.179 60.378 58.200 -0.002 0.000 1.014 76 S CB -0.307 62.890 63.200 -0.004 0.000 0.836 76 S HN 0.859 nan 8.310 nan 0.000 0.466 77 T N 1.977 116.533 114.554 0.004 0.000 2.737 77 T HA -0.164 4.186 4.350 -0.001 0.000 0.265 77 T C 1.499 176.201 174.700 0.002 0.000 1.038 77 T CA 1.617 63.720 62.100 0.004 0.000 1.144 77 T CB -0.737 68.140 68.868 0.014 0.000 0.866 77 T HN 0.562 nan 8.240 nan 0.000 0.434 78 D N 1.194 121.602 120.400 0.014 0.000 2.234 78 D HA 0.001 4.640 4.640 -0.001 0.000 0.205 78 D C 2.042 178.350 176.300 0.014 0.000 0.962 78 D CA 0.342 54.354 54.000 0.020 0.000 0.855 78 D CB -0.931 39.896 40.800 0.044 0.000 0.951 78 D HN 0.390 nan 8.370 nan 0.000 0.500 79 V N 0.732 120.650 119.914 0.007 0.000 2.453 79 V HA -0.267 3.853 4.120 -0.001 0.000 0.252 79 V C 2.572 178.678 176.094 0.019 0.000 1.068 79 V CA 1.958 64.262 62.300 0.007 0.000 1.070 79 V CB -0.827 30.996 31.823 -0.001 0.000 0.664 79 V HN 0.462 nan 8.190 nan 0.000 0.461 80 A N -0.528 122.276 122.820 -0.027 0.000 1.850 80 A HA -0.107 4.213 4.320 -0.001 0.000 0.212 80 A C 2.455 179.929 177.584 -0.182 0.000 1.208 80 A CA 1.679 53.645 52.037 -0.119 0.000 0.609 80 A CB -0.642 18.289 19.000 -0.115 0.000 0.860 80 A HN 0.518 nan 8.150 nan 0.000 0.448 81 S N -0.320 115.322 115.700 -0.097 0.000 2.368 81 S HA 0.113 4.583 4.470 -0.001 0.000 0.224 81 S C 0.646 175.224 174.600 -0.036 0.000 1.029 81 S CA 1.292 59.445 58.200 -0.079 0.000 0.988 81 S CB -0.660 62.519 63.200 -0.035 0.000 0.838 81 S HN 0.568 nan 8.310 nan 0.000 0.462 82 L N -1.638 119.591 121.223 0.009 0.000 2.359 82 L HA 0.659 4.998 4.340 -0.001 0.000 0.256 82 L C -0.123 176.797 176.870 0.083 0.000 1.026 82 L CA -1.090 53.782 54.840 0.054 0.000 0.828 82 L CB 0.977 43.069 42.059 0.056 0.000 1.406 82 L HN -0.110 nan 8.230 nan 0.000 0.413 83 N N -1.157 117.608 118.700 0.108 0.000 2.965 83 N HA -0.317 4.423 4.740 -0.001 0.000 0.232 83 N C 0.802 176.390 175.510 0.130 0.000 0.913 83 N CA 1.637 54.748 53.050 0.102 0.000 0.981 83 N CB -1.333 37.184 38.487 0.049 0.000 1.077 83 N HN 0.929 nan 8.380 nan 0.000 0.589 84 Y N 2.042 122.340 120.300 -0.003 0.000 2.062 84 Y HA -0.240 4.310 4.550 -0.001 0.000 0.276 84 Y C 2.185 178.079 175.900 -0.011 0.000 1.189 84 Y CA 2.779 60.875 58.100 -0.008 0.000 1.130 84 Y CB -0.172 38.288 38.460 -0.000 0.000 0.959 84 Y HN 0.438 nan 8.280 nan 0.000 0.499 85 Q N 0.478 120.320 119.800 0.071 0.000 2.341 85 Q HA 0.270 4.610 4.340 -0.001 0.000 0.325 85 Q C -1.004 174.991 176.000 -0.007 0.000 0.920 85 Q CA -0.266 55.510 55.803 -0.046 0.000 1.065 85 Q CB -0.082 28.616 28.738 -0.066 0.000 1.218 85 Q HN 0.324 nan 8.270 nan 0.000 0.434 86 N N 1.518 120.223 118.700 0.009 0.000 2.321 86 N HA 0.238 4.978 4.740 -0.001 0.000 0.290 86 N C -0.973 174.524 175.510 -0.021 0.000 1.212 86 N CA -0.291 52.770 53.050 0.019 0.000 0.767 86 N CB 1.928 40.460 38.487 0.075 0.000 1.494 86 N HN 0.280 nan 8.380 nan 0.000 0.479 87 D N -0.791 119.604 120.400 -0.009 0.000 2.509 87 D HA 0.180 4.820 4.640 -0.001 0.000 0.275 87 D C 0.269 176.525 176.300 -0.074 0.000 1.189 87 D CA 0.230 54.214 54.000 -0.028 0.000 1.098 87 D CB 0.193 40.986 40.800 -0.013 0.000 1.177 87 D HN 0.495 nan 8.370 nan 0.000 0.599 88 H N -1.948 117.103 119.070 -0.033 0.000 2.592 88 H HA 0.204 4.759 4.556 -0.001 0.000 0.265 88 H C 1.087 176.508 175.328 0.155 0.000 0.955 88 H CA 0.744 56.747 56.048 -0.075 0.000 1.175 88 H CB 0.463 30.204 29.762 -0.035 0.000 1.433 88 H HN 0.282 nan 8.280 nan 0.000 0.537 89 S N -0.174 115.668 115.700 0.237 0.000 2.614 89 S HA 0.099 4.569 4.470 -0.001 0.000 0.230 89 S C 0.267 174.987 174.600 0.200 0.000 0.952 89 S CA -0.447 57.863 58.200 0.183 0.000 0.949 89 S CB -0.094 63.138 63.200 0.054 0.000 0.786 89 S HN 0.299 nan 8.310 nan 0.000 0.478 90 N N 0.569 119.461 118.700 0.320 0.000 2.905 90 N HA 0.366 5.105 4.740 -0.001 0.000 0.255 90 N C -1.140 174.604 175.510 0.390 0.000 1.199 90 N CA -0.701 52.508 53.050 0.265 0.000 0.911 90 N CB 0.427 39.001 38.487 0.144 0.000 1.550 90 N HN 0.375 nan 8.380 nan 0.000 0.599 91 F N 0.706 120.693 119.950 0.061 0.000 2.779 91 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 91 F C -1.933 173.893 175.800 0.043 0.000 1.164 91 F CA -1.225 56.797 58.000 0.037 0.000 0.924 91 F CB 1.220 40.224 39.000 0.007 0.000 1.348 91 F HN 0.059 nan 8.300 nan 0.000 0.467 92 L N 1.367 122.751 121.223 0.268 0.000 2.346 92 L HA 0.754 5.094 4.340 -0.001 0.000 0.276 92 L C -0.464 176.521 176.870 0.193 0.000 1.006 92 L CA -0.652 54.251 54.840 0.106 0.000 0.817 92 L CB 2.096 44.204 42.059 0.081 0.000 1.272 92 L HN 0.751 nan 8.230 nan 0.000 0.421 93 T N 0.120 114.732 114.554 0.097 0.000 2.863 93 T HA 0.411 4.761 4.350 -0.001 0.000 0.285 93 T C -0.209 174.532 174.700 0.068 0.000 1.009 93 T CA -0.542 61.638 62.100 0.135 0.000 0.989 93 T CB 1.577 70.534 68.868 0.149 0.000 1.004 93 T HN 0.700 nan 8.240 nan 0.000 0.455 94 T N 1.005 115.599 114.554 0.068 0.000 2.723 94 T HA 0.296 4.646 4.350 -0.001 0.000 0.297 94 T C 1.032 175.756 174.700 0.040 0.000 0.925 94 T CA -0.679 61.447 62.100 0.044 0.000 1.030 94 T CB 0.083 68.977 68.868 0.043 0.000 0.905 94 T HN 0.277 nan 8.240 nan 0.000 0.502 95 V N 3.954 123.882 119.914 0.022 0.000 3.623 95 V HA 0.231 4.351 4.120 -0.001 0.000 0.271 95 V C 1.055 177.141 176.094 -0.012 0.000 1.248 95 V CA 0.100 62.410 62.300 0.016 0.000 1.156 95 V CB -0.873 30.947 31.823 -0.004 0.000 0.870 95 V HN 0.873 nan 8.190 nan 0.000 0.453 96 I N 1.494 122.057 120.570 -0.011 0.000 2.260 96 I HA 0.154 4.324 4.170 -0.001 0.000 0.297 96 I C 0.479 176.585 176.117 -0.019 0.000 1.143 96 I CA -0.016 61.254 61.300 -0.049 0.000 1.271 96 I CB 0.677 38.681 38.000 0.005 0.000 1.461 96 I HN 0.202 nan 8.210 nan 0.000 0.530 97 Q N 3.675 123.453 119.800 -0.036 0.000 2.404 97 Q HA 0.106 4.446 4.340 -0.001 0.000 0.272 97 Q C 0.052 176.049 176.000 -0.006 0.000 0.939 97 Q CA 0.058 55.861 55.803 -0.001 0.000 0.945 97 Q CB -0.472 28.281 28.738 0.025 0.000 1.195 97 Q HN 0.416 nan 8.270 nan 0.000 0.415 98 N N 0.482 119.198 118.700 0.027 0.000 2.425 98 N HA 0.058 4.798 4.740 -0.001 0.000 0.268 98 N C 0.264 175.855 175.510 0.135 0.000 0.991 98 N CA -0.069 53.042 53.050 0.102 0.000 0.931 98 N CB 1.028 39.663 38.487 0.247 0.000 1.130 98 N HN 0.153 nan 8.380 nan 0.000 0.493 99 N N 2.980 121.718 118.700 0.065 0.000 2.104 99 N HA -0.165 4.575 4.740 -0.001 0.000 0.190 99 N C -0.003 175.507 175.510 -0.001 0.000 1.024 99 N CA 1.631 54.697 53.050 0.026 0.000 0.853 99 N CB 0.117 38.604 38.487 -0.000 0.000 1.008 99 N HN 0.551 nan 8.380 nan 0.000 0.424 100 D N -1.422 118.937 120.400 -0.068 0.000 2.338 100 D HA 0.041 4.681 4.640 -0.001 0.000 0.239 100 D C -0.738 175.327 176.300 -0.392 0.000 1.095 100 D CA 0.527 54.378 54.000 -0.249 0.000 0.888 100 D CB 0.018 40.595 40.800 -0.372 0.000 0.899 100 D HN 0.409 nan 8.370 nan 0.000 0.525 101 Y N -0.484 119.836 120.300 0.032 0.000 2.485 101 Y HA 0.346 4.896 4.550 -0.001 0.000 0.345 101 Y C 0.519 176.433 175.900 0.023 0.000 0.998 101 Y CA -1.291 56.830 58.100 0.035 0.000 1.059 101 Y CB 1.632 40.128 38.460 0.060 0.000 1.234 101 Y HN -0.366 nan 8.280 nan 0.000 0.461 102 S N 4.376 120.204 115.700 0.214 0.000 2.515 102 S HA 0.026 4.495 4.470 -0.001 0.000 0.285 102 S C -1.694 172.966 174.600 0.100 0.000 1.265 102 S CA -0.923 57.345 58.200 0.114 0.000 1.079 102 S CB 0.468 63.724 63.200 0.093 0.000 0.877 102 S HN 0.451 nan 8.310 nan 0.000 0.493 103 P HA 0.007 nan 4.420 nan 0.000 0.228 103 P C 1.361 178.683 177.300 0.037 0.000 1.151 103 P CA 0.533 63.665 63.100 0.053 0.000 0.770 103 P CB -0.001 31.722 31.700 0.037 0.000 0.786 104 G N 0.556 109.375 108.800 0.032 0.000 2.425 104 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.213 104 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.213 104 G C 1.428 176.341 174.900 0.020 0.000 1.201 104 G CA 0.165 45.278 45.100 0.022 0.000 0.799 104 G HN 0.266 nan 8.290 nan 0.000 0.534 105 E N 1.292 121.511 120.200 0.032 0.000 2.516 105 E HA 0.114 4.463 4.350 -0.001 0.000 0.199 105 E C 2.336 178.932 176.600 -0.006 0.000 1.069 105 E CA 0.615 57.028 56.400 0.023 0.000 0.876 105 E CB -0.075 29.655 29.700 0.050 0.000 0.843 105 E HN 0.317 nan 8.360 nan 0.000 0.530 106 A N 0.777 123.602 122.820 0.007 0.000 1.930 106 A HA -0.142 4.178 4.320 -0.001 0.000 0.215 106 A C 2.333 179.898 177.584 -0.033 0.000 1.176 106 A CA 1.385 53.409 52.037 -0.022 0.000 0.632 106 A CB -0.579 18.436 19.000 0.025 0.000 0.819 106 A HN 0.446 nan 8.150 nan 0.000 0.445 107 S N 0.114 115.804 115.700 -0.016 0.000 2.392 107 S HA -0.242 4.227 4.470 -0.001 0.000 0.232 107 S C 1.844 176.423 174.600 -0.035 0.000 1.041 107 S CA 2.188 60.376 58.200 -0.019 0.000 1.026 107 S CB -1.574 61.620 63.200 -0.010 0.000 0.845 107 S HN 0.531 nan 8.310 nan 0.000 0.465 108 T N 2.326 116.853 114.554 -0.045 0.000 2.653 108 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 108 T C 0.898 175.547 174.700 -0.084 0.000 1.035 108 T CA 1.622 63.685 62.100 -0.061 0.000 1.154 108 T CB -0.556 68.270 68.868 -0.070 0.000 0.862 108 T HN 0.669 nan 8.240 nan 0.000 0.441 109 Q N 1.355 121.089 119.800 -0.111 0.000 2.394 109 Q HA 0.375 4.714 4.340 -0.001 0.000 0.248 109 Q C -0.308 175.651 176.000 -0.069 0.000 0.992 109 Q CA 0.049 55.770 55.803 -0.136 0.000 0.888 109 Q CB 0.590 29.212 28.738 -0.192 0.000 1.257 109 Q HN 0.279 nan 8.270 nan 0.000 0.462 110 T N 0.820 115.327 114.554 -0.079 0.000 2.856 110 T HA 0.318 4.668 4.350 -0.001 0.000 0.283 110 T C 0.754 175.452 174.700 -0.004 0.000 1.008 110 T CA -0.797 61.274 62.100 -0.050 0.000 0.997 110 T CB 1.141 69.965 68.868 -0.073 0.000 0.992 110 T HN 0.390 nan 8.240 nan 0.000 0.454 111 I N 1.158 121.724 120.570 -0.006 0.000 2.286 111 I HA -0.042 4.128 4.170 -0.001 0.000 0.245 111 I C 0.480 176.567 176.117 -0.050 0.000 1.104 111 I CA 1.031 62.330 61.300 -0.000 0.000 1.397 111 I CB -0.875 37.090 38.000 -0.060 0.000 1.072 111 I HN 0.775 nan 8.210 nan 0.000 0.417 112 N N 1.757 120.404 118.700 -0.089 0.000 2.537 112 N HA -0.195 4.545 4.740 -0.001 0.000 0.286 112 N C -0.526 174.878 175.510 -0.178 0.000 1.245 112 N CA 0.416 53.401 53.050 -0.108 0.000 0.704 112 N CB -1.356 37.086 38.487 -0.076 0.000 0.910 112 N HN 0.204 nan 8.380 nan 0.000 0.542 113 L N 0.754 121.802 121.223 -0.292 0.000 2.417 113 L HA 0.182 4.522 4.340 -0.001 0.000 0.268 113 L C 1.387 178.172 176.870 -0.142 0.000 1.158 113 L CA -0.167 54.342 54.840 -0.552 0.000 0.819 113 L CB 0.448 41.837 42.059 -1.116 0.000 1.112 113 L HN 0.280 nan 8.230 nan 0.000 0.458 114 D N 1.878 122.399 120.400 0.202 0.000 2.493 114 D HA -0.074 4.566 4.640 -0.001 0.000 0.240 114 D C -0.350 176.162 176.300 0.354 0.000 1.142 114 D CA -0.115 54.093 54.000 0.348 0.000 0.872 114 D CB 0.935 41.951 40.800 0.359 0.000 1.173 114 D HN 0.515 nan 8.370 nan 0.000 0.467 115 D N 2.987 123.464 120.400 0.128 0.000 2.881 115 D HA 0.060 4.699 4.640 -0.001 0.000 0.240 115 D C 0.841 177.144 176.300 0.005 0.000 1.249 115 D CA -0.134 53.893 54.000 0.044 0.000 0.839 115 D CB 0.124 40.930 40.800 0.010 0.000 1.042 115 D HN 0.291 nan 8.370 nan 0.000 0.475 116 R N -0.422 120.081 120.500 0.006 0.000 2.412 116 R HA 0.161 4.500 4.340 -0.001 0.000 0.212 116 R C -0.032 176.218 176.300 -0.083 0.000 0.878 116 R CA 0.182 56.264 56.100 -0.031 0.000 1.022 116 R CB 0.685 30.975 30.300 -0.017 0.000 1.265 116 R HN 0.233 nan 8.270 nan 0.000 0.620 117 S N -0.285 115.318 115.700 -0.162 0.000 2.548 117 S HA 0.406 4.875 4.470 -0.001 0.000 0.286 117 S C -0.756 173.600 174.600 -0.407 0.000 1.098 117 S CA -0.938 57.099 58.200 -0.271 0.000 0.930 117 S CB 1.802 64.768 63.200 -0.390 0.000 1.070 117 S HN 0.074 nan 8.310 nan 0.000 0.480 118 H N 0.584 119.539 119.070 -0.190 0.000 2.767 118 H HA 0.158 4.713 4.556 -0.001 0.000 0.316 118 H C -0.941 174.294 175.328 -0.155 0.000 1.059 118 H CA 0.396 56.394 56.048 -0.084 0.000 1.461 118 H CB 0.439 30.181 29.762 -0.034 0.000 1.475 118 H HN 0.596 nan 8.280 nan 0.000 0.531 119 W N 1.495 122.781 121.300 -0.023 0.000 2.359 119 W HA 0.447 5.107 4.660 -0.000 0.000 0.344 119 W C 0.678 177.210 176.519 0.022 0.000 1.170 119 W CA -0.283 57.059 57.345 -0.005 0.000 1.296 119 W CB 1.323 30.762 29.460 -0.035 0.000 1.197 119 W HN 0.617 nan 8.180 nan 0.000 0.618 120 G N -0.355 108.625 108.800 0.299 0.000 2.714 120 G HA2 0.700 4.660 3.960 -0.001 0.000 0.292 120 G HA3 0.700 4.660 3.960 -0.001 0.000 0.292 120 G C -1.368 173.624 174.900 0.153 0.000 1.308 120 G CA -0.934 44.270 45.100 0.173 0.000 0.964 120 G HN 0.689 nan 8.290 nan 0.000 0.484 121 G N -0.294 108.550 108.800 0.074 0.000 2.719 121 G HA2 0.464 4.423 3.960 -0.001 0.000 0.298 121 G HA3 0.464 4.423 3.960 -0.001 0.000 0.298 121 G C -1.566 173.340 174.900 0.009 0.000 1.433 121 G CA -0.458 44.661 45.100 0.032 0.000 1.034 121 G HN 0.426 nan 8.290 nan 0.000 0.517 122 D N 1.170 121.572 120.400 0.003 0.000 2.348 122 D HA 0.254 4.893 4.640 -0.001 0.000 0.253 122 D C -0.502 175.782 176.300 -0.027 0.000 1.161 122 D CA -0.083 53.914 54.000 -0.006 0.000 0.876 122 D CB 1.575 42.373 40.800 -0.003 0.000 1.160 122 D HN 0.176 nan 8.370 nan 0.000 0.459 123 L N 3.962 125.171 121.223 -0.024 0.000 2.305 123 L HA 0.420 4.760 4.340 -0.001 0.000 0.284 123 L C -0.705 176.153 176.870 -0.020 0.000 1.013 123 L CA -0.355 54.453 54.840 -0.052 0.000 0.819 123 L CB 1.052 43.055 42.059 -0.094 0.000 1.227 123 L HN 0.188 nan 8.230 nan 0.000 0.417 124 K N 2.436 122.812 120.400 -0.040 0.000 2.259 124 K HA 0.807 5.127 4.320 -0.001 0.000 0.252 124 K C -0.937 175.629 176.600 -0.056 0.000 0.936 124 K CA -0.612 55.668 56.287 -0.012 0.000 0.810 124 K CB 2.064 34.564 32.500 0.000 0.000 1.143 124 K HN 0.694 nan 8.250 nan 0.000 0.427 125 T N -0.814 113.729 114.554 -0.020 0.000 2.893 125 T HA 0.615 4.965 4.350 -0.001 0.000 0.293 125 T C -0.563 174.202 174.700 0.110 0.000 1.027 125 T CA -0.807 61.257 62.100 -0.061 0.000 0.988 125 T CB 0.806 69.459 68.868 -0.358 0.000 1.043 125 T HN 0.244 nan 8.240 nan 0.000 0.461 126 I N 2.923 123.585 120.570 0.153 0.000 2.371 126 I HA 0.451 4.620 4.170 -0.001 0.000 0.282 126 I C -0.855 175.426 176.117 0.274 0.000 1.031 126 I CA -0.528 60.879 61.300 0.178 0.000 1.180 126 I CB 1.334 39.400 38.000 0.110 0.000 1.336 126 I HN 0.554 nan 8.210 nan 0.000 0.467 127 L N 7.089 128.502 121.223 0.316 0.000 2.329 127 L HA 0.573 4.912 4.340 -0.001 0.000 0.279 127 L C -0.914 176.123 176.870 0.278 0.000 1.014 127 L CA -0.121 54.922 54.840 0.339 0.000 0.814 127 L CB 1.058 43.351 42.059 0.391 0.000 1.257 127 L HN 0.574 nan 8.230 nan 0.000 0.424 128 H N 2.344 121.490 119.070 0.127 0.000 2.865 128 H HA 0.570 5.126 4.556 -0.001 0.000 0.362 128 H C -1.434 173.951 175.328 0.096 0.000 1.114 128 H CA -0.400 55.705 56.048 0.096 0.000 1.208 128 H CB 1.762 31.568 29.762 0.073 0.000 1.727 128 H HN 0.748 nan 8.280 nan 0.000 0.534 129 T N 1.100 115.618 114.554 -0.060 0.000 2.930 129 T HA 0.286 4.636 4.350 -0.001 0.000 0.290 129 T C 0.212 174.724 174.700 -0.313 0.000 1.052 129 T CA -1.053 60.972 62.100 -0.124 0.000 1.017 129 T CB 1.842 70.709 68.868 -0.001 0.000 1.137 129 T HN 0.715 nan 8.240 nan 0.000 0.511 130 N N 0.163 118.799 118.700 -0.107 0.000 2.351 130 N HA 0.209 4.948 4.740 -0.001 0.000 0.254 130 N C -0.284 175.204 175.510 -0.037 0.000 1.241 130 N CA -0.205 52.802 53.050 -0.071 0.000 0.883 130 N CB 0.402 38.911 38.487 0.038 0.000 1.202 130 N HN 0.579 nan 8.380 nan 0.000 0.512 131 M N 2.601 122.119 119.600 -0.137 0.000 2.219 131 M HA 0.217 4.697 4.480 -0.001 0.000 0.353 131 M C -2.172 173.879 176.300 -0.414 0.000 1.304 131 M CA -1.058 53.942 55.300 -0.500 0.000 1.115 131 M CB 0.829 33.071 32.600 -0.596 0.000 1.664 131 M HN 0.002 nan 8.290 nan 0.000 0.459 132 P HA 0.140 nan 4.420 nan 0.000 0.307 132 P C -0.293 176.757 177.300 -0.417 0.000 1.306 132 P CA -0.293 62.464 63.100 -0.571 0.000 0.742 132 P CB 0.538 31.878 31.700 -0.600 0.000 1.349 133 N N -0.843 117.630 118.700 -0.378 0.000 2.191 133 N HA -0.022 4.717 4.740 -0.001 0.000 0.193 133 N C -0.023 175.380 175.510 -0.178 0.000 1.053 133 N CA 0.528 53.476 53.050 -0.169 0.000 0.943 133 N CB -0.905 37.574 38.487 -0.014 0.000 1.119 133 N HN 0.002 nan 8.380 nan 0.000 0.487 134 V N 1.740 121.582 119.914 -0.120 0.000 2.540 134 V HA 0.044 4.164 4.120 -0.001 0.000 0.297 134 V C 0.067 176.107 176.094 -0.090 0.000 1.024 134 V CA 0.561 62.815 62.300 -0.076 0.000 1.105 134 V CB -0.340 31.469 31.823 -0.023 0.000 0.938 134 V HN 0.496 nan 8.190 nan 0.000 0.482 135 N N 2.543 121.207 118.700 -0.061 0.000 2.710 135 N HA 0.264 5.004 4.740 -0.001 0.000 0.257 135 N C 0.578 176.104 175.510 0.026 0.000 1.327 135 N CA -0.694 52.325 53.050 -0.052 0.000 0.861 135 N CB 1.781 40.163 38.487 -0.174 0.000 1.532 135 N HN 0.565 nan 8.380 nan 0.000 0.499 136 E N 0.604 120.860 120.200 0.094 0.000 2.006 136 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 136 E C 1.149 177.829 176.600 0.133 0.000 0.993 136 E CA 1.072 57.565 56.400 0.155 0.000 0.808 136 E CB -0.088 29.721 29.700 0.181 0.000 0.764 136 E HN 0.566 nan 8.360 nan 0.000 0.449 137 F N 0.619 120.559 119.950 -0.016 0.000 2.269 137 F HA -0.183 4.343 4.527 -0.001 0.000 0.301 137 F C 2.081 177.513 175.800 -0.614 0.000 1.082 137 F CA 0.666 58.547 58.000 -0.198 0.000 1.360 137 F CB 0.238 39.203 39.000 -0.058 0.000 1.041 137 F HN 0.036 nan 8.300 nan 0.000 0.512 138 M N -0.332 118.891 119.600 -0.628 0.000 2.618 138 M HA 0.022 4.502 4.480 -0.001 0.000 0.240 138 M C -0.177 175.768 176.300 -0.592 0.000 1.123 138 M CA 0.317 55.188 55.300 -0.716 0.000 1.060 138 M CB -1.304 31.061 32.600 -0.391 0.000 1.535 138 M HN 0.155 nan 8.290 nan 0.000 0.507 139 F N -0.136 119.732 119.950 -0.137 0.000 3.039 139 F HA -0.242 4.284 4.527 -0.001 0.000 0.287 139 F C 0.662 176.460 175.800 -0.004 0.000 0.956 139 F CA 0.838 58.810 58.000 -0.047 0.000 0.971 139 F CB -3.084 35.889 39.000 -0.045 0.000 0.943 139 F HN 0.094 nan 8.300 nan 0.000 0.766 140 T N -2.775 111.838 114.554 0.099 0.000 3.091 140 T HA 0.110 4.459 4.350 -0.001 0.000 0.277 140 T C 1.300 176.049 174.700 0.081 0.000 0.996 140 T CA 0.321 62.454 62.100 0.055 0.000 0.897 140 T CB -0.004 68.838 68.868 -0.044 0.000 1.109 140 T HN 0.691 nan 8.240 nan 0.000 0.534 141 N N 0.389 119.168 118.700 0.131 0.000 2.322 141 N HA 0.139 4.878 4.740 -0.001 0.000 0.181 141 N C 0.321 175.960 175.510 0.215 0.000 1.088 141 N CA -0.270 52.868 53.050 0.146 0.000 0.885 141 N CB 0.418 38.982 38.487 0.128 0.000 1.013 141 N HN 0.067 nan 8.380 nan 0.000 0.472 142 K N 0.363 120.914 120.400 0.251 0.000 2.318 142 K HA 0.424 4.744 4.320 -0.001 0.000 0.249 142 K C -1.634 175.216 176.600 0.416 0.000 0.942 142 K CA -0.900 55.557 56.287 0.284 0.000 0.808 142 K CB 2.001 34.604 32.500 0.171 0.000 1.189 142 K HN 0.193 nan 8.250 nan 0.000 0.428 143 F N -1.079 118.958 119.950 0.145 0.000 2.654 143 F HA 0.558 5.085 4.527 -0.001 0.000 0.308 143 F C -1.297 174.570 175.800 0.110 0.000 1.108 143 F CA -1.182 56.866 58.000 0.079 0.000 0.957 143 F CB 1.365 40.388 39.000 0.040 0.000 1.309 143 F HN 0.134 nan 8.300 nan 0.000 0.446 144 K N 1.958 122.390 120.400 0.054 0.000 2.123 144 K HA 0.900 5.220 4.320 -0.001 0.000 0.259 144 K C -1.052 175.662 176.600 0.190 0.000 0.960 144 K CA -0.943 55.339 56.287 -0.009 0.000 0.872 144 K CB 1.972 34.422 32.500 -0.084 0.000 1.079 144 K HN 0.953 nan 8.250 nan 0.000 0.440 145 A N 1.880 124.938 122.820 0.397 0.000 2.612 145 A HA 0.456 4.776 4.320 -0.001 0.000 0.293 145 A C -1.576 176.249 177.584 0.402 0.000 1.075 145 A CA -0.781 51.559 52.037 0.505 0.000 0.680 145 A CB 1.437 20.645 19.000 0.347 0.000 1.279 145 A HN 0.741 nan 8.150 nan 0.000 0.411 146 R N 1.065 121.517 120.500 -0.080 0.000 2.265 146 R HA 0.641 4.980 4.340 -0.001 0.000 0.319 146 R C -1.293 174.949 176.300 -0.096 0.000 1.006 146 R CA -0.126 55.752 56.100 -0.371 0.000 0.880 146 R CB 0.772 30.409 30.300 -1.104 0.000 1.077 146 R HN 0.562 nan 8.270 nan 0.000 0.454 147 V N 5.035 124.970 119.914 0.035 0.000 3.074 147 V HA 0.405 4.524 4.120 -0.001 0.000 0.314 147 V C 0.106 176.279 176.094 0.132 0.000 1.117 147 V CA -1.246 61.126 62.300 0.121 0.000 1.014 147 V CB 2.024 33.961 31.823 0.190 0.000 1.057 147 V HN 0.872 nan 8.190 nan 0.000 0.438 148 M N 1.183 120.795 119.600 0.021 0.000 2.249 148 M HA 0.592 5.071 4.480 -0.001 0.000 0.351 148 M C -0.397 175.870 176.300 -0.055 0.000 1.180 148 M CA 0.184 55.327 55.300 -0.262 0.000 1.127 148 M CB 1.460 33.663 32.600 -0.662 0.000 1.546 148 M HN 0.275 nan 8.290 nan 0.000 0.461 149 V N 1.141 121.004 119.914 -0.085 0.000 2.806 149 V HA 0.138 4.258 4.120 -0.001 0.000 0.239 149 V C 0.770 176.828 176.094 -0.061 0.000 1.113 149 V CA 0.667 62.959 62.300 -0.013 0.000 1.137 149 V CB 1.065 32.899 31.823 0.019 0.000 0.865 149 V HN 0.953 nan 8.190 nan 0.000 0.482 150 S N 0.378 116.013 115.700 -0.108 0.000 2.442 150 S HA 0.568 5.038 4.470 -0.001 0.000 0.297 150 S C -0.240 174.285 174.600 -0.124 0.000 1.131 150 S CA -0.377 57.765 58.200 -0.097 0.000 1.092 150 S CB 1.131 64.285 63.200 -0.077 0.000 0.998 150 S HN 0.368 nan 8.310 nan 0.000 0.478 151 R N 3.386 123.836 120.500 -0.084 0.000 2.278 151 R HA 0.302 4.642 4.340 -0.001 0.000 0.322 151 R C -0.147 176.120 176.300 -0.055 0.000 1.058 151 R CA -0.060 55.995 56.100 -0.075 0.000 0.991 151 R CB -0.258 30.015 30.300 -0.045 0.000 1.140 151 R HN 0.743 nan 8.270 nan 0.000 0.518 152 S N 3.285 118.951 115.700 -0.057 0.000 3.371 152 S HA -0.192 4.278 4.470 -0.001 0.000 0.353 152 S C 0.638 175.220 174.600 -0.029 0.000 0.849 152 S CA 0.711 58.888 58.200 -0.038 0.000 1.356 152 S CB -1.362 61.819 63.200 -0.031 0.000 1.217 152 S HN 0.742 nan 8.310 nan 0.000 0.559 153 L N 2.033 123.240 121.223 -0.027 0.000 2.450 153 L HA -0.026 4.313 4.340 -0.001 0.000 0.224 153 L C 1.603 178.463 176.870 -0.016 0.000 1.149 153 L CA 0.883 55.710 54.840 -0.022 0.000 0.816 153 L CB -1.054 40.993 42.059 -0.020 0.000 0.932 153 L HN 1.061 nan 8.230 nan 0.000 0.449 154 T N -1.376 113.169 114.554 -0.015 0.000 4.141 154 T HA -0.154 4.196 4.350 -0.001 0.000 0.352 154 T C 0.203 174.897 174.700 -0.009 0.000 0.756 154 T CA 0.114 62.208 62.100 -0.012 0.000 1.958 154 T CB -1.520 67.342 68.868 -0.011 0.000 1.848 154 T HN 0.098 nan 8.240 nan 0.000 0.872 155 K N 2.071 122.466 120.400 -0.008 0.000 2.361 155 K HA 0.199 4.518 4.320 -0.001 0.000 0.283 155 K C 0.587 177.184 176.600 -0.004 0.000 1.078 155 K CA 0.408 56.692 56.287 -0.006 0.000 1.041 155 K CB -0.026 32.470 32.500 -0.005 0.000 0.932 155 K HN 0.547 nan 8.250 nan 0.000 0.462 156 D N 2.840 123.237 120.400 -0.004 0.000 2.718 156 D HA -0.180 4.459 4.640 -0.001 0.000 0.242 156 D C -0.936 175.362 176.300 -0.003 0.000 1.123 156 D CA 0.817 54.815 54.000 -0.003 0.000 0.690 156 D CB -0.985 39.814 40.800 -0.002 0.000 1.059 156 D HN 0.612 nan 8.370 nan 0.000 0.429 157 K N -0.640 119.758 120.400 -0.004 0.000 5.230 157 K HA -0.264 4.056 4.320 -0.001 0.000 0.331 157 K C 0.024 176.622 176.600 -0.004 0.000 0.863 157 K CA 0.920 57.204 56.287 -0.004 0.000 1.030 157 K CB -0.666 31.832 32.500 -0.004 0.000 1.845 157 K HN 0.622 nan 8.250 nan 0.000 0.404 158 Q N 0.683 120.480 119.800 -0.005 0.000 2.599 158 Q HA 0.182 4.522 4.340 -0.001 0.000 0.248 158 Q C -0.958 175.039 176.000 -0.006 0.000 0.964 158 Q CA -0.702 55.099 55.803 -0.004 0.000 1.011 158 Q CB 1.774 30.511 28.738 -0.002 0.000 1.592 158 Q HN 0.319 nan 8.270 nan 0.000 0.443 159 V N 1.303 121.214 119.914 -0.006 0.000 2.377 159 V HA 0.311 4.430 4.120 -0.001 0.000 0.254 159 V C -0.025 176.064 176.094 -0.008 0.000 1.060 159 V CA 0.098 62.392 62.300 -0.009 0.000 1.068 159 V CB 0.545 32.362 31.823 -0.010 0.000 1.113 159 V HN 0.728 nan 8.190 nan 0.000 0.484 160 E N 5.824 126.016 120.200 -0.013 0.000 2.103 160 E HA 0.410 4.759 4.350 -0.001 0.000 0.254 160 E C -0.435 176.145 176.600 -0.033 0.000 0.940 160 E CA -0.630 55.763 56.400 -0.013 0.000 0.771 160 E CB 1.129 30.825 29.700 -0.007 0.000 1.153 160 E HN 0.936 nan 8.360 nan 0.000 0.428 161 L N 1.785 122.981 121.223 -0.046 0.000 2.275 161 L HA 0.582 4.922 4.340 -0.001 0.000 0.288 161 L C -0.523 176.249 176.870 -0.163 0.000 1.046 161 L CA -0.840 53.925 54.840 -0.124 0.000 0.805 161 L CB 1.022 42.987 42.059 -0.157 0.000 1.193 161 L HN 0.125 nan 8.230 nan 0.000 0.426 162 K N 3.293 123.570 120.400 -0.205 0.000 2.090 162 K HA 0.572 4.892 4.320 -0.001 0.000 0.249 162 K C -1.411 174.976 176.600 -0.355 0.000 0.995 162 K CA -0.510 55.688 56.287 -0.148 0.000 0.914 162 K CB 1.339 33.799 32.500 -0.066 0.000 1.057 162 K HN 0.481 nan 8.250 nan 0.000 0.462 163 Y N -0.176 120.094 120.300 -0.050 0.000 2.605 163 Y HA 0.371 4.920 4.550 -0.001 0.000 0.343 163 Y C -0.362 175.501 175.900 -0.062 0.000 1.036 163 Y CA -0.777 57.275 58.100 -0.081 0.000 1.065 163 Y CB 2.536 40.904 38.460 -0.154 0.000 1.288 163 Y HN 0.558 nan 8.280 nan 0.000 0.481 164 E N 0.692 120.949 120.200 0.095 0.000 2.375 164 E HA 0.239 4.588 4.350 -0.001 0.000 0.280 164 E C -2.107 174.538 176.600 0.075 0.000 0.972 164 E CA -0.730 55.719 56.400 0.081 0.000 0.782 164 E CB 1.400 31.152 29.700 0.086 0.000 1.229 164 E HN 0.639 nan 8.360 nan 0.000 0.439 165 W N 3.311 124.605 121.300 -0.011 0.000 2.316 165 W HA 0.417 5.076 4.660 -0.001 0.000 0.311 165 W C -0.202 176.224 176.519 -0.155 0.000 1.217 165 W CA -0.338 56.971 57.345 -0.059 0.000 1.199 165 W CB 1.217 30.649 29.460 -0.047 0.000 1.202 165 W HN 0.231 nan 8.180 nan 0.000 0.528 166 V N 0.088 119.995 119.914 -0.012 0.000 3.078 166 V HA 0.450 4.570 4.120 -0.001 0.000 0.311 166 V C -0.914 174.784 176.094 -0.659 0.000 1.138 166 V CA -1.570 60.492 62.300 -0.396 0.000 1.007 166 V CB 1.903 33.309 31.823 -0.695 0.000 1.045 166 V HN 0.528 nan 8.190 nan 0.000 0.432 167 E N 1.532 121.374 120.200 -0.597 0.000 2.035 167 E HA 0.506 4.856 4.350 -0.001 0.000 0.271 167 E C -1.359 174.905 176.600 -0.560 0.000 0.953 167 E CA -0.528 55.590 56.400 -0.471 0.000 0.777 167 E CB 0.604 30.174 29.700 -0.218 0.000 1.104 167 E HN 0.573 nan 8.360 nan 0.000 0.408 168 F N 1.666 121.413 119.950 -0.338 0.000 2.410 168 F HA 0.275 4.802 4.527 -0.001 0.000 0.334 168 F C 0.838 176.597 175.800 -0.069 0.000 1.134 168 F CA -0.207 57.641 58.000 -0.253 0.000 1.227 168 F CB 1.237 39.926 39.000 -0.518 0.000 1.194 168 F HN 0.160 nan 8.300 nan 0.000 0.571 169 T N 2.786 117.465 114.554 0.208 0.000 2.893 169 T HA 0.713 5.063 4.350 -0.001 0.000 0.291 169 T C -0.603 174.225 174.700 0.213 0.000 1.028 169 T CA -0.804 61.406 62.100 0.183 0.000 0.995 169 T CB 1.615 70.551 68.868 0.113 0.000 1.051 169 T HN 0.327 nan 8.240 nan 0.000 0.470 170 L N 2.621 123.959 121.223 0.192 0.000 2.319 170 L HA 0.582 4.921 4.340 -0.001 0.000 0.267 170 L C -1.878 175.066 176.870 0.123 0.000 1.011 170 L CA -2.376 52.565 54.840 0.168 0.000 0.818 170 L CB 2.037 44.195 42.059 0.164 0.000 1.316 170 L HN 0.466 nan 8.230 nan 0.000 0.432 171 P HA 0.208 nan 4.420 nan 0.000 0.205 171 P C 0.157 177.496 177.300 0.066 0.000 1.858 171 P CA -0.190 62.964 63.100 0.089 0.000 0.998 171 P CB 0.931 32.689 31.700 0.096 0.000 1.875 172 E N 0.999 121.232 120.200 0.055 0.000 3.995 172 E HA -0.355 3.994 4.350 -0.001 0.000 0.245 172 E C 1.831 178.415 176.600 -0.027 0.000 1.300 172 E CA 2.343 58.754 56.400 0.019 0.000 2.077 172 E CB -1.742 27.977 29.700 0.031 0.000 1.830 172 E HN 0.438 nan 8.360 nan 0.000 0.271 173 G N 2.341 111.129 108.800 -0.020 0.000 2.556 173 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.220 173 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.220 173 G C 0.608 175.452 174.900 -0.093 0.000 1.156 173 G CA 1.342 46.400 45.100 -0.069 0.000 0.766 173 G HN 0.566 nan 8.290 nan 0.000 0.583 174 N N 0.076 118.826 118.700 0.084 0.000 2.374 174 N HA 0.103 4.843 4.740 -0.001 0.000 0.241 174 N C -0.440 175.248 175.510 0.297 0.000 1.262 174 N CA 0.635 53.834 53.050 0.248 0.000 0.880 174 N CB 0.076 38.644 38.487 0.136 0.000 1.105 174 N HN 0.737 nan 8.380 nan 0.000 0.438 175 Y N -3.091 117.184 120.300 -0.042 0.000 2.782 175 Y HA 0.387 4.936 4.550 -0.001 0.000 0.264 175 Y C -1.336 174.533 175.900 -0.051 0.000 1.020 175 Y CA -1.060 57.009 58.100 -0.052 0.000 1.223 175 Y CB -0.108 38.323 38.460 -0.048 0.000 1.137 175 Y HN 0.321 nan 8.280 nan 0.000 0.560 176 S N 1.177 116.880 115.700 0.005 0.000 2.568 176 S HA 0.167 4.637 4.470 -0.001 0.000 0.293 176 S C 0.800 175.368 174.600 -0.054 0.000 1.089 176 S CA -0.622 57.546 58.200 -0.054 0.000 0.945 176 S CB 1.918 65.063 63.200 -0.092 0.000 1.077 176 S HN 0.776 nan 8.310 nan 0.000 0.485 177 E N 0.693 120.863 120.200 -0.050 0.000 2.274 177 E HA -0.078 4.272 4.350 -0.001 0.000 0.194 177 E C 1.034 177.586 176.600 -0.080 0.000 0.996 177 E CA 1.444 57.808 56.400 -0.060 0.000 0.840 177 E CB -0.349 29.327 29.700 -0.039 0.000 0.772 177 E HN 0.515 nan 8.360 nan 0.000 0.491 178 T N 0.778 115.281 114.554 -0.085 0.000 2.755 178 T HA -0.005 4.344 4.350 -0.001 0.000 0.251 178 T C 1.768 176.381 174.700 -0.145 0.000 1.044 178 T CA 0.993 63.030 62.100 -0.105 0.000 1.154 178 T CB -0.211 68.594 68.868 -0.105 0.000 0.866 178 T HN 0.095 nan 8.240 nan 0.000 0.416 179 M N 1.411 120.906 119.600 -0.173 0.000 2.460 179 M HA -0.077 4.403 4.480 -0.001 0.000 0.263 179 M C 1.796 177.959 176.300 -0.228 0.000 1.071 179 M CA 1.129 56.267 55.300 -0.269 0.000 1.096 179 M CB -0.597 31.846 32.600 -0.262 0.000 1.408 179 M HN 0.236 nan 8.290 nan 0.000 0.463 180 T N 1.159 115.623 114.554 -0.150 0.000 2.915 180 T HA -0.062 4.288 4.350 -0.001 0.000 0.269 180 T C 1.685 176.281 174.700 -0.172 0.000 1.071 180 T CA 0.763 62.786 62.100 -0.129 0.000 1.132 180 T CB -0.001 68.803 68.868 -0.107 0.000 0.878 180 T HN 0.232 nan 8.240 nan 0.000 0.479 181 I N 2.061 122.526 120.570 -0.176 0.000 2.133 181 I HA -0.085 4.085 4.170 -0.001 0.000 0.238 181 I C 2.086 178.151 176.117 -0.087 0.000 1.074 181 I CA 1.300 62.500 61.300 -0.167 0.000 1.342 181 I CB -1.442 36.504 38.000 -0.090 0.000 1.053 181 I HN 0.163 nan 8.210 nan 0.000 0.404 182 D N 0.742 121.073 120.400 -0.116 0.000 2.158 182 D HA -0.184 4.456 4.640 -0.001 0.000 0.197 182 D C 2.244 178.568 176.300 0.040 0.000 0.995 182 D CA 0.786 54.728 54.000 -0.097 0.000 0.846 182 D CB -0.182 40.334 40.800 -0.473 0.000 0.941 182 D HN 0.090 nan 8.370 nan 0.000 0.456 183 L N -0.052 121.149 121.223 -0.037 0.000 2.056 183 L HA -0.027 4.312 4.340 -0.001 0.000 0.207 183 L C 2.152 179.125 176.870 0.170 0.000 1.078 183 L CA 1.365 56.277 54.840 0.119 0.000 0.749 183 L CB -0.811 41.281 42.059 0.055 0.000 0.901 183 L HN 0.169 nan 8.230 nan 0.000 0.433 184 M N -0.819 118.834 119.600 0.089 0.000 2.067 184 M HA -0.225 4.254 4.480 -0.001 0.000 0.260 184 M C 1.930 178.399 176.300 0.281 0.000 1.069 184 M CA 1.547 56.952 55.300 0.175 0.000 1.117 184 M CB -0.611 31.845 32.600 -0.240 0.000 1.334 184 M HN 0.199 nan 8.290 nan 0.000 0.407 185 N N 0.820 119.685 118.700 0.274 0.000 2.137 185 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 185 N C 1.420 177.066 175.510 0.226 0.000 1.017 185 N CA 1.599 54.815 53.050 0.277 0.000 0.859 185 N CB -0.687 37.952 38.487 0.252 0.000 1.002 185 N HN 0.386 nan 8.380 nan 0.000 0.428 186 N N 0.765 119.618 118.700 0.256 0.000 2.069 186 N HA -0.103 4.637 4.740 -0.001 0.000 0.191 186 N C 1.220 176.856 175.510 0.210 0.000 1.031 186 N CA 1.794 54.984 53.050 0.234 0.000 0.852 186 N CB -0.319 38.352 38.487 0.307 0.000 1.018 186 N HN 0.188 nan 8.380 nan 0.000 0.423 187 A N -0.843 122.112 122.820 0.224 0.000 2.238 187 A HA 0.215 4.535 4.320 -0.001 0.000 0.208 187 A C 1.972 179.660 177.584 0.173 0.000 1.177 187 A CA 0.078 52.261 52.037 0.244 0.000 0.804 187 A CB -0.441 18.734 19.000 0.292 0.000 0.823 187 A HN 0.372 nan 8.150 nan 0.000 0.482 188 I N -1.219 119.363 120.570 0.021 0.000 2.500 188 I HA -0.125 4.045 4.170 -0.001 0.000 0.252 188 I C 2.164 178.418 176.117 0.229 0.000 1.142 188 I CA 0.822 62.081 61.300 -0.068 0.000 1.451 188 I CB 0.166 38.125 38.000 -0.069 0.000 1.093 188 I HN 0.162 nan 8.210 nan 0.000 0.430 189 V N -0.249 119.807 119.914 0.236 0.000 2.500 189 V HA -0.125 3.994 4.120 -0.001 0.000 0.243 189 V C 2.202 178.483 176.094 0.312 0.000 1.039 189 V CA 1.256 63.728 62.300 0.286 0.000 1.053 189 V CB -0.401 31.553 31.823 0.219 0.000 0.695 189 V HN 0.335 nan 8.190 nan 0.000 0.463 190 E N -0.559 119.794 120.200 0.255 0.000 2.331 190 E HA -0.280 4.069 4.350 -0.001 0.000 0.199 190 E C 1.976 178.717 176.600 0.235 0.000 1.008 190 E CA 1.389 57.916 56.400 0.213 0.000 0.843 190 E CB -0.068 29.742 29.700 0.183 0.000 0.761 190 E HN 0.738 nan 8.360 nan 0.000 0.507 191 H N -0.593 118.630 119.070 0.254 0.000 2.317 191 H HA -0.144 4.412 4.556 -0.001 0.000 0.304 191 H C 1.907 177.374 175.328 0.231 0.000 1.067 191 H CA 1.700 57.897 56.048 0.248 0.000 1.352 191 H CB -0.342 29.652 29.762 0.387 0.000 1.398 191 H HN 0.167 nan 8.280 nan 0.000 0.510 192 Y N 1.044 121.440 120.300 0.161 0.000 2.151 192 Y HA -0.245 4.305 4.550 -0.001 0.000 0.284 192 Y C 1.939 177.845 175.900 0.010 0.000 1.166 192 Y CA 1.967 60.115 58.100 0.079 0.000 1.163 192 Y CB -0.452 38.100 38.460 0.153 0.000 0.974 192 Y HN 0.255 nan 8.280 nan 0.000 0.511 193 L N 0.278 121.553 121.223 0.087 0.000 2.456 193 L HA -0.150 4.189 4.340 -0.001 0.000 0.224 193 L C 2.474 179.284 176.870 -0.099 0.000 1.148 193 L CA 1.147 55.965 54.840 -0.037 0.000 0.825 193 L CB -0.458 41.646 42.059 0.076 0.000 0.937 193 L HN 0.191 nan 8.230 nan 0.000 0.450 194 K N -0.516 119.809 120.400 -0.125 0.000 2.276 194 K HA 0.059 4.378 4.320 -0.001 0.000 0.198 194 K C 1.450 177.927 176.600 -0.205 0.000 1.052 194 K CA 0.708 56.908 56.287 -0.144 0.000 0.984 194 K CB 0.881 33.306 32.500 -0.125 0.000 0.836 194 K HN 0.136 nan 8.250 nan 0.000 0.490 195 V N -1.522 118.213 119.914 -0.299 0.000 3.161 195 V HA 0.072 4.192 4.120 -0.001 0.000 0.228 195 V C 1.914 177.875 176.094 -0.223 0.000 1.415 195 V CA 0.862 63.007 62.300 -0.259 0.000 1.285 195 V CB 0.584 32.222 31.823 -0.307 0.000 1.100 195 V HN 0.315 nan 8.190 nan 0.000 0.478 196 G N 2.220 110.876 108.800 -0.240 0.000 2.511 196 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.216 196 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.216 196 G C 1.468 176.172 174.900 -0.327 0.000 1.218 196 G CA 1.462 46.469 45.100 -0.156 0.000 0.788 196 G HN 0.614 nan 8.290 nan 0.000 0.560 197 R N 0.098 120.133 120.500 -0.775 0.000 2.120 197 R HA -0.014 4.326 4.340 -0.001 0.000 0.234 197 R C 2.311 178.455 176.300 -0.261 0.000 1.123 197 R CA 1.549 57.313 56.100 -0.561 0.000 0.975 197 R CB -0.503 29.377 30.300 -0.701 0.000 0.866 197 R HN 0.342 nan 8.270 nan 0.000 0.446 198 Q N 0.673 120.328 119.800 -0.241 0.000 2.224 198 Q HA -0.020 4.320 4.340 -0.001 0.000 0.203 198 Q C 0.575 176.510 176.000 -0.108 0.000 0.970 198 Q CA 0.846 56.560 55.803 -0.147 0.000 0.865 198 Q CB -0.183 28.474 28.738 -0.134 0.000 0.922 198 Q HN 0.474 nan 8.270 nan 0.000 0.445 199 N N -0.544 118.090 118.700 -0.110 0.000 2.389 199 N HA 0.168 4.907 4.740 -0.001 0.000 0.260 199 N C 0.338 175.809 175.510 -0.065 0.000 1.191 199 N CA 0.654 53.658 53.050 -0.076 0.000 0.885 199 N CB 1.429 39.876 38.487 -0.067 0.000 1.162 199 N HN 0.423 nan 8.380 nan 0.000 0.512 200 G N -0.449 108.311 108.800 -0.067 0.000 2.213 200 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.226 200 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.226 200 G C 0.102 174.994 174.900 -0.013 0.000 0.992 200 G CA -0.254 44.821 45.100 -0.041 0.000 0.632 200 G HN 0.182 nan 8.290 nan 0.000 0.511 201 V N 2.612 122.527 119.914 0.003 0.000 2.521 201 V HA 0.472 4.592 4.120 -0.001 0.000 0.286 201 V C 1.117 177.372 176.094 0.268 0.000 1.034 201 V CA -0.209 62.160 62.300 0.115 0.000 1.045 201 V CB 1.087 33.015 31.823 0.174 0.000 0.974 201 V HN 0.344 nan 8.190 nan 0.000 0.480 202 L N 4.458 125.782 121.223 0.169 0.000 2.453 202 L HA 0.241 4.581 4.340 -0.001 0.000 0.261 202 L C 1.604 178.522 176.870 0.080 0.000 1.179 202 L CA 0.496 55.422 54.840 0.143 0.000 0.813 202 L CB 0.110 42.195 42.059 0.044 0.000 1.110 202 L HN 0.634 nan 8.230 nan 0.000 0.466 203 E N 0.211 120.415 120.200 0.006 0.000 2.204 203 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 203 E C 1.592 177.960 176.600 -0.387 0.000 0.989 203 E CA 1.355 57.556 56.400 -0.333 0.000 0.824 203 E CB 0.025 29.576 29.700 -0.248 0.000 0.756 203 E HN 0.781 nan 8.360 nan 0.000 0.477 204 S N 0.827 116.427 115.700 -0.166 0.000 2.607 204 S HA -0.033 4.436 4.470 -0.001 0.000 0.224 204 S C 0.486 175.057 174.600 -0.049 0.000 0.969 204 S CA 0.330 58.486 58.200 -0.074 0.000 0.927 204 S CB 0.122 63.313 63.200 -0.014 0.000 0.772 204 S HN 0.049 nan 8.310 nan 0.000 0.533 205 D N 0.985 121.331 120.400 -0.090 0.000 2.892 205 D HA 0.331 4.970 4.640 -0.001 0.000 0.291 205 D C 0.781 177.033 176.300 -0.079 0.000 1.341 205 D CA -0.395 53.571 54.000 -0.058 0.000 0.844 205 D CB 0.270 41.045 40.800 -0.041 0.000 1.093 205 D HN 0.215 nan 8.370 nan 0.000 0.480 206 I N 0.616 121.121 120.570 -0.108 0.000 2.133 206 I HA -0.050 4.119 4.170 -0.001 0.000 0.238 206 I C 1.982 178.064 176.117 -0.058 0.000 1.074 206 I CA 1.794 62.988 61.300 -0.177 0.000 1.342 206 I CB -0.807 37.041 38.000 -0.253 0.000 1.053 206 I HN 0.370 nan 8.210 nan 0.000 0.404 207 G N 0.334 109.133 108.800 -0.002 0.000 3.110 207 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.238 207 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.238 207 G C 0.099 174.939 174.900 -0.100 0.000 1.647 207 G CA 0.030 45.121 45.100 -0.015 0.000 1.146 207 G HN 0.426 nan 8.290 nan 0.000 0.545 208 V N -0.209 119.627 119.914 -0.129 0.000 2.470 208 V HA 0.719 4.838 4.120 -0.001 0.000 0.276 208 V C 0.175 176.072 176.094 -0.327 0.000 1.040 208 V CA 0.099 62.250 62.300 -0.249 0.000 1.008 208 V CB 1.296 32.990 31.823 -0.215 0.000 0.990 208 V HN 0.791 nan 8.190 nan 0.000 0.477 209 K N 4.737 124.870 120.400 -0.446 0.000 2.535 209 K HA 0.482 4.801 4.320 -0.001 0.000 0.251 209 K C -1.850 174.483 176.600 -0.445 0.000 0.942 209 K CA -0.575 55.493 56.287 -0.366 0.000 0.798 209 K CB 2.021 34.390 32.500 -0.219 0.000 1.267 209 K HN 0.645 nan 8.250 nan 0.000 0.434 210 F N 2.833 122.791 119.950 0.013 0.000 2.313 210 F HA 0.243 4.770 4.527 -0.001 0.000 0.369 210 F C 0.903 176.713 175.800 0.017 0.000 1.109 210 F CA -0.608 57.402 58.000 0.017 0.000 1.132 210 F CB 0.842 39.834 39.000 -0.015 0.000 1.291 210 F HN 0.357 nan 8.300 nan 0.000 0.496 211 D N 0.518 121.007 120.400 0.148 0.000 2.549 211 D HA 0.352 4.992 4.640 -0.001 0.000 0.270 211 D C 0.890 177.235 176.300 0.076 0.000 1.181 211 D CA -0.130 53.932 54.000 0.103 0.000 1.070 211 D CB 1.850 42.725 40.800 0.125 0.000 1.154 211 D HN 0.467 nan 8.370 nan 0.000 0.602 212 T N -3.234 111.309 114.554 -0.020 0.000 3.041 212 T HA 0.204 4.554 4.350 -0.001 0.000 0.276 212 T C 0.640 175.233 174.700 -0.178 0.000 0.948 212 T CA -0.424 61.631 62.100 -0.075 0.000 0.885 212 T CB 0.313 69.120 68.868 -0.101 0.000 1.175 212 T HN 0.429 nan 8.240 nan 0.000 0.529 213 R N 1.101 121.443 120.500 -0.263 0.000 2.643 213 R HA 0.537 4.877 4.340 -0.001 0.000 0.272 213 R C -0.557 175.419 176.300 -0.540 0.000 0.995 213 R CA -0.905 54.996 56.100 -0.332 0.000 1.032 213 R CB 0.445 30.499 30.300 -0.410 0.000 1.126 213 R HN -0.023 nan 8.270 nan 0.000 0.505 214 N N 1.607 120.008 118.700 -0.499 0.000 2.420 214 N HA 0.009 4.748 4.740 -0.001 0.000 0.262 214 N C -0.261 174.981 175.510 -0.447 0.000 1.144 214 N CA -0.005 52.699 53.050 -0.577 0.000 0.952 214 N CB 0.369 38.324 38.487 -0.887 0.000 1.081 214 N HN 0.582 nan 8.380 nan 0.000 0.480 215 F N 2.333 122.202 119.950 -0.136 0.000 2.179 215 F HA 0.166 4.693 4.527 -0.001 0.000 0.292 215 F C 2.168 177.969 175.800 0.001 0.000 1.089 215 F CA 0.442 58.349 58.000 -0.156 0.000 1.295 215 F CB 0.168 39.000 39.000 -0.279 0.000 1.041 215 F HN 0.388 nan 8.300 nan 0.000 0.487 216 R N 0.652 121.249 120.500 0.162 0.000 2.366 216 R HA -0.031 4.309 4.340 -0.001 0.000 0.201 216 R C -0.385 175.930 176.300 0.024 0.000 1.057 216 R CA 0.084 56.195 56.100 0.017 0.000 1.086 216 R CB -0.717 29.443 30.300 -0.233 0.000 0.914 216 R HN 0.109 nan 8.270 nan 0.000 0.476 217 L N -0.203 121.040 121.223 0.035 0.000 2.265 217 L HA 0.292 4.632 4.340 -0.001 0.000 0.288 217 L C 1.026 177.943 176.870 0.079 0.000 1.058 217 L CA 0.848 55.685 54.840 -0.004 0.000 0.809 217 L CB 1.458 43.422 42.059 -0.157 0.000 1.179 217 L HN 0.356 nan 8.230 nan 0.000 0.429 218 G N 3.863 112.709 108.800 0.077 0.000 2.259 218 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G C 0.323 175.273 174.900 0.082 0.000 1.001 218 G CA -0.002 45.142 45.100 0.073 0.000 0.627 218 G HN 0.558 nan 8.290 nan 0.000 0.501 219 F N 3.087 123.018 119.950 -0.033 0.000 2.629 219 F HA 0.449 4.975 4.527 -0.001 0.000 0.377 219 F C 0.301 176.047 175.800 -0.090 0.000 1.101 219 F CA 0.323 58.284 58.000 -0.066 0.000 1.301 219 F CB 0.642 39.587 39.000 -0.092 0.000 1.062 219 F HN 0.094 nan 8.300 nan 0.000 0.583 220 D N 8.166 128.112 120.400 -0.756 0.000 2.278 220 D HA 0.246 4.886 4.640 -0.001 0.000 0.245 220 D C -1.830 173.856 176.300 -1.024 0.000 1.052 220 D CA -1.931 51.685 54.000 -0.640 0.000 0.834 220 D CB 2.277 42.821 40.800 -0.426 0.000 1.194 220 D HN 0.263 nan 8.370 nan 0.000 0.481 221 P HA -0.059 nan 4.420 nan 0.000 0.226 221 P C 1.214 178.360 177.300 -0.257 0.000 1.153 221 P CA 0.484 63.401 63.100 -0.305 0.000 0.777 221 P CB 0.630 32.297 31.700 -0.057 0.000 0.794 222 V N -0.946 118.808 119.914 -0.266 0.000 3.125 222 V HA -0.029 4.091 4.120 -0.001 0.000 0.249 222 V C 2.316 178.277 176.094 -0.221 0.000 1.113 222 V CA 1.603 63.788 62.300 -0.190 0.000 1.106 222 V CB -1.688 30.050 31.823 -0.141 0.000 0.768 222 V HN 0.094 nan 8.190 nan 0.000 0.468 223 T N 0.407 114.774 114.554 -0.312 0.000 2.942 223 T HA 0.147 4.496 4.350 -0.001 0.000 0.265 223 T C 1.736 176.258 174.700 -0.298 0.000 1.062 223 T CA 1.288 63.211 62.100 -0.296 0.000 1.139 223 T CB -0.277 68.395 68.868 -0.325 0.000 0.883 223 T HN 0.834 nan 8.240 nan 0.000 0.468 224 G N 1.164 109.701 108.800 -0.438 0.000 2.155 224 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.257 224 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.257 224 G C -0.057 174.715 174.900 -0.214 0.000 0.983 224 G CA 0.229 45.139 45.100 -0.317 0.000 0.676 224 G HN 0.524 nan 8.290 nan 0.000 0.528 225 L N -1.003 120.002 121.223 -0.363 0.000 2.415 225 L HA 0.585 4.925 4.340 -0.001 0.000 0.256 225 L C 0.293 177.077 176.870 -0.143 0.000 1.010 225 L CA -1.477 53.284 54.840 -0.132 0.000 0.826 225 L CB 2.182 44.163 42.059 -0.129 0.000 1.405 225 L HN -0.125 nan 8.230 nan 0.000 0.410 226 V N 2.441 122.365 119.914 0.016 0.000 2.439 226 V HA 0.027 4.146 4.120 -0.001 0.000 0.271 226 V C 1.116 177.167 176.094 -0.072 0.000 1.040 226 V CA -0.195 62.117 62.300 0.019 0.000 1.002 226 V CB 1.165 33.038 31.823 0.082 0.000 1.000 226 V HN 0.701 nan 8.190 nan 0.000 0.477 227 M N 6.430 125.976 119.600 -0.090 0.000 2.175 227 M HA 0.036 4.515 4.480 -0.001 0.000 0.264 227 M C -0.350 175.909 176.300 -0.068 0.000 1.063 227 M CA 1.166 56.398 55.300 -0.113 0.000 1.119 227 M CB -1.603 30.917 32.600 -0.134 0.000 1.377 227 M HN 0.466 nan 8.290 nan 0.000 0.415 228 P HA 0.332 nan 4.420 nan 0.000 0.249 228 P C 0.695 177.980 177.300 -0.024 0.000 1.583 228 P CA 0.453 63.543 63.100 -0.016 0.000 0.988 228 P CB -0.170 31.532 31.700 0.003 0.000 1.530 229 G N -0.398 108.368 108.800 -0.056 0.000 2.205 229 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.269 229 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.269 229 G C 0.060 174.903 174.900 -0.095 0.000 0.977 229 G CA 0.291 45.347 45.100 -0.072 0.000 0.652 229 G HN 0.418 nan 8.290 nan 0.000 0.539 230 V N 0.225 120.085 119.914 -0.090 0.000 2.623 230 V HA 0.474 4.594 4.120 -0.001 0.000 0.304 230 V C -0.138 175.945 176.094 -0.019 0.000 1.054 230 V CA -1.454 60.815 62.300 -0.052 0.000 0.882 230 V CB 1.519 33.355 31.823 0.021 0.000 1.002 230 V HN 0.258 nan 8.190 nan 0.000 0.424 231 Y N 1.807 122.165 120.300 0.097 0.000 2.544 231 Y HA 0.100 4.650 4.550 -0.001 0.000 0.330 231 Y C 1.547 177.425 175.900 -0.037 0.000 1.136 231 Y CA -0.135 57.992 58.100 0.045 0.000 1.417 231 Y CB 0.292 38.802 38.460 0.083 0.000 1.229 231 Y HN 0.609 nan 8.280 nan 0.000 0.532 232 T N 3.111 117.731 114.554 0.110 0.000 2.758 232 T HA -0.139 4.211 4.350 -0.001 0.000 0.249 232 T C 0.588 175.299 174.700 0.019 0.000 1.011 232 T CA 0.010 62.139 62.100 0.048 0.000 1.301 232 T CB -0.793 68.097 68.868 0.037 0.000 0.992 232 T HN 0.538 nan 8.240 nan 0.000 0.549 233 N N 3.109 121.819 118.700 0.017 0.000 3.117 233 N HA 0.051 4.791 4.740 -0.001 0.000 0.323 233 N C -0.119 175.374 175.510 -0.030 0.000 1.245 233 N CA -0.053 52.987 53.050 -0.016 0.000 1.191 233 N CB 0.157 38.642 38.487 -0.004 0.000 1.451 233 N HN 0.581 nan 8.380 nan 0.000 0.555 234 E N 0.339 120.544 120.200 0.009 0.000 2.218 234 E HA 0.512 4.862 4.350 -0.001 0.000 0.263 234 E C -0.964 175.575 176.600 -0.101 0.000 0.879 234 E CA -0.892 55.486 56.400 -0.037 0.000 0.762 234 E CB 1.267 30.995 29.700 0.046 0.000 1.166 234 E HN 0.342 nan 8.360 nan 0.000 0.415 235 A N 3.967 126.618 122.820 -0.281 0.000 2.511 235 A HA 0.264 4.584 4.320 -0.001 0.000 0.242 235 A C -0.507 176.582 177.584 -0.825 0.000 1.069 235 A CA 0.219 52.022 52.037 -0.391 0.000 0.763 235 A CB -0.081 18.707 19.000 -0.354 0.000 1.001 235 A HN 0.688 nan 8.150 nan 0.000 0.498 236 F N 2.570 122.202 119.950 -0.530 0.000 2.881 236 F HA 0.267 4.794 4.527 -0.001 0.000 0.343 236 F C 1.120 176.625 175.800 -0.492 0.000 1.233 236 F CA 0.243 57.908 58.000 -0.557 0.000 1.262 236 F CB -0.197 38.507 39.000 -0.493 0.000 0.980 236 F HN 0.898 nan 8.300 nan 0.000 0.506 237 H N -2.129 116.902 119.070 -0.064 0.000 1.562 237 H HA -0.197 4.358 4.556 -0.001 0.000 0.090 237 H C -2.025 173.350 175.328 0.079 0.000 0.613 237 H CA 0.925 56.977 56.048 0.005 0.000 1.889 237 H CB -2.430 27.343 29.762 0.019 0.000 2.240 237 H HN 0.037 nan 8.280 nan 0.000 0.959 238 P HA 0.165 nan 4.420 nan 0.000 0.279 238 P C -0.870 176.636 177.300 0.342 0.000 1.318 238 P CA 0.126 63.407 63.100 0.302 0.000 0.819 238 P CB 0.009 31.970 31.700 0.435 0.000 0.927 239 D N 3.623 124.127 120.400 0.173 0.000 2.586 239 D HA -0.038 4.602 4.640 -0.001 0.000 0.234 239 D C 0.607 177.082 176.300 0.292 0.000 1.132 239 D CA 0.424 54.515 54.000 0.151 0.000 0.860 239 D CB -0.132 40.714 40.800 0.077 0.000 1.159 239 D HN 0.241 nan 8.370 nan 0.000 0.490 240 I N 1.538 122.299 120.570 0.318 0.000 3.138 240 I HA 0.121 4.291 4.170 -0.001 0.000 0.288 240 I C 0.556 176.859 176.117 0.310 0.000 1.148 240 I CA -0.389 61.175 61.300 0.439 0.000 1.315 240 I CB 0.335 38.539 38.000 0.339 0.000 1.426 240 I HN 0.275 nan 8.210 nan 0.000 0.615 241 I N 4.141 124.894 120.570 0.304 0.000 2.362 241 I HA 0.397 4.567 4.170 -0.001 0.000 0.289 241 I C -0.861 175.278 176.117 0.038 0.000 0.994 241 I CA -0.510 60.834 61.300 0.073 0.000 1.158 241 I CB 0.927 38.975 38.000 0.080 0.000 1.315 241 I HN 0.305 nan 8.210 nan 0.000 0.451 242 L N 7.551 128.707 121.223 -0.111 0.000 2.307 242 L HA 0.666 5.006 4.340 -0.001 0.000 0.284 242 L C -0.709 176.078 176.870 -0.138 0.000 1.023 242 L CA -0.518 54.246 54.840 -0.127 0.000 0.810 242 L CB 1.497 43.409 42.059 -0.245 0.000 1.231 242 L HN 0.468 nan 8.230 nan 0.000 0.423 243 L N 4.186 125.390 121.223 -0.032 0.000 2.513 243 L HA 0.662 5.002 4.340 -0.001 0.000 0.261 243 L C -2.870 174.017 176.870 0.028 0.000 0.945 243 L CA -1.422 53.400 54.840 -0.031 0.000 0.848 243 L CB 2.501 44.520 42.059 -0.065 0.000 1.334 243 L HN 0.295 nan 8.230 nan 0.000 0.407 244 P HA 0.326 nan 4.420 nan 0.000 0.308 244 P C 0.517 177.255 177.300 -0.936 0.000 1.497 244 P CA -0.234 62.542 63.100 -0.540 0.000 1.101 244 P CB 2.143 33.728 31.700 -0.192 0.000 1.095 245 G N 2.510 110.080 108.800 -2.051 0.000 2.302 245 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.263 245 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.263 245 G C 0.458 174.717 174.900 -1.068 0.000 0.995 245 G CA 0.725 45.039 45.100 -1.309 0.000 0.622 245 G HN 0.826 nan 8.290 nan 0.000 0.538 246 C N -1.841 117.017 119.300 -0.738 0.000 3.462 246 C HA 1.106 5.566 4.460 -0.001 0.000 0.298 246 C C 1.028 175.781 174.990 -0.395 0.000 3.205 246 C CA 0.088 58.772 59.018 -0.556 0.000 1.845 246 C CB 1.388 28.946 27.740 -0.304 0.000 3.397 246 C HN 2.208 nan 8.230 nan 0.000 0.473 247 G N -1.063 107.525 108.800 -0.352 0.000 2.322 247 G HA2 0.599 4.559 3.960 -0.001 0.000 0.295 247 G HA3 0.599 4.559 3.960 -0.001 0.000 0.295 247 G C -1.163 173.699 174.900 -0.064 0.000 1.369 247 G CA 0.167 45.149 45.100 -0.197 0.000 0.821 247 G HN 1.956 nan 8.290 nan 0.000 0.536 248 V N -2.340 117.630 119.914 0.093 0.000 3.234 248 V HA 0.937 5.056 4.120 -0.001 0.000 0.317 248 V C -0.722 175.499 176.094 0.211 0.000 1.147 248 V CA -0.683 61.723 62.300 0.176 0.000 1.037 248 V CB 2.140 34.006 31.823 0.072 0.000 1.148 248 V HN 0.989 nan 8.190 nan 0.000 0.455 249 D N -0.313 120.044 120.400 -0.071 0.000 2.548 249 D HA 0.281 4.921 4.640 -0.001 0.000 0.214 249 D C -1.585 174.484 176.300 -0.385 0.000 1.345 249 D CA -0.257 53.652 54.000 -0.152 0.000 0.945 249 D CB 1.580 42.269 40.800 -0.186 0.000 1.499 249 D HN 0.487 nan 8.370 nan 0.000 0.579 250 F N 2.449 122.421 119.950 0.036 0.000 2.850 250 F HA 0.151 4.677 4.527 -0.001 0.000 0.306 250 F C 2.201 178.083 175.800 0.136 0.000 1.162 250 F CA -0.268 57.790 58.000 0.096 0.000 1.327 250 F CB 1.086 40.107 39.000 0.035 0.000 0.953 250 F HN 0.304 nan 8.300 nan 0.000 0.507 251 T N -0.845 113.782 114.554 0.121 0.000 2.929 251 T HA -0.152 4.198 4.350 -0.001 0.000 0.271 251 T C 0.808 175.408 174.700 -0.166 0.000 1.085 251 T CA 1.489 63.574 62.100 -0.026 0.000 1.125 251 T CB -0.255 68.516 68.868 -0.161 0.000 0.874 251 T HN 0.277 nan 8.240 nan 0.000 0.494 252 H N 0.044 119.154 119.070 0.067 0.000 2.716 252 H HA 0.529 5.084 4.556 -0.001 0.000 0.230 252 H C -0.790 174.603 175.328 0.108 0.000 1.401 252 H CA -0.260 55.800 56.048 0.020 0.000 1.168 252 H CB 0.375 30.062 29.762 -0.124 0.000 1.935 252 H HN 0.089 nan 8.280 nan 0.000 0.538 253 S N -0.026 115.866 115.700 0.320 0.000 2.541 253 S HA 0.404 4.873 4.470 -0.001 0.000 0.271 253 S C 0.624 175.382 174.600 0.264 0.000 1.133 253 S CA -0.616 57.790 58.200 0.343 0.000 0.876 253 S CB 1.800 65.298 63.200 0.496 0.000 1.105 253 S HN 0.493 nan 8.310 nan 0.000 0.470 254 R N 2.063 122.659 120.500 0.160 0.000 2.362 254 R HA 0.330 4.670 4.340 -0.001 0.000 0.227 254 R C 1.319 177.576 176.300 -0.072 0.000 0.905 254 R CA 0.070 56.191 56.100 0.034 0.000 1.067 254 R CB -0.065 30.228 30.300 -0.012 0.000 1.078 254 R HN 0.575 nan 8.270 nan 0.000 0.516 255 L N 0.637 121.818 121.223 -0.070 0.000 2.265 255 L HA -0.187 4.153 4.340 -0.001 0.000 0.215 255 L C 2.278 178.752 176.870 -0.659 0.000 1.117 255 L CA 1.463 56.139 54.840 -0.273 0.000 0.782 255 L CB -0.221 41.744 42.059 -0.157 0.000 0.914 255 L HN 0.235 nan 8.230 nan 0.000 0.441 256 S N -1.128 114.063 115.700 -0.847 0.000 2.419 256 S HA -0.209 4.261 4.470 -0.001 0.000 0.235 256 S C 1.762 176.115 174.600 -0.412 0.000 1.019 256 S CA 1.352 59.006 58.200 -0.909 0.000 0.982 256 S CB -0.534 62.497 63.200 -0.283 0.000 0.789 256 S HN 0.518 nan 8.310 nan 0.000 0.490 257 N N 0.975 119.513 118.700 -0.269 0.000 2.216 257 N HA 0.023 4.763 4.740 -0.001 0.000 0.183 257 N C 1.699 177.093 175.510 -0.193 0.000 1.017 257 N CA 0.907 53.845 53.050 -0.186 0.000 0.861 257 N CB -0.288 38.117 38.487 -0.137 0.000 0.986 257 N HN 0.274 nan 8.380 nan 0.000 0.428 258 L N 2.026 123.109 121.223 -0.233 0.000 2.046 258 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 258 L C 2.005 178.747 176.870 -0.213 0.000 1.077 258 L CA 1.306 56.023 54.840 -0.205 0.000 0.747 258 L CB -1.040 40.885 42.059 -0.223 0.000 0.896 258 L HN 0.176 nan 8.230 nan 0.000 0.432 259 L N -0.381 120.659 121.223 -0.306 0.000 2.201 259 L HA 0.007 4.346 4.340 -0.001 0.000 0.212 259 L C 1.452 178.214 176.870 -0.180 0.000 1.105 259 L CA 0.813 55.495 54.840 -0.263 0.000 0.775 259 L CB -0.820 41.005 42.059 -0.389 0.000 0.913 259 L HN 0.553 nan 8.230 nan 0.000 0.440 260 G N 1.306 109.995 108.800 -0.184 0.000 2.212 260 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.255 260 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.255 260 G C -0.206 174.596 174.900 -0.163 0.000 1.062 260 G CA -0.096 44.938 45.100 -0.111 0.000 0.815 260 G HN 0.313 nan 8.290 nan 0.000 0.497 261 I N -0.194 120.211 120.570 -0.274 0.000 2.436 261 I HA 0.690 4.859 4.170 -0.001 0.000 0.289 261 I C 0.230 176.335 176.117 -0.020 0.000 1.010 261 I CA -0.937 60.160 61.300 -0.340 0.000 1.098 261 I CB 2.042 39.572 38.000 -0.784 0.000 1.266 261 I HN 0.177 nan 8.210 nan 0.000 0.434 262 R N 5.634 126.129 120.500 -0.008 0.000 2.604 262 R HA 0.402 4.741 4.340 -0.001 0.000 0.281 262 R C -1.201 174.960 176.300 -0.231 0.000 1.020 262 R CA -0.865 55.149 56.100 -0.144 0.000 0.899 262 R CB 2.059 32.279 30.300 -0.134 0.000 1.205 262 R HN 0.562 nan 8.270 nan 0.000 0.450 263 K N 3.090 123.140 120.400 -0.583 0.000 2.484 263 K HA -0.039 4.281 4.320 -0.001 0.000 0.280 263 K C 1.072 177.519 176.600 -0.256 0.000 1.013 263 K CA 0.287 56.291 56.287 -0.472 0.000 1.029 263 K CB 0.770 32.917 32.500 -0.587 0.000 0.902 263 K HN 0.503 nan 8.250 nan 0.000 0.481 264 R N 1.841 122.240 120.500 -0.167 0.000 2.189 264 R HA -0.131 4.208 4.340 -0.001 0.000 0.223 264 R C 0.327 176.567 176.300 -0.100 0.000 1.092 264 R CA 1.256 57.306 56.100 -0.083 0.000 0.989 264 R CB 0.266 30.558 30.300 -0.014 0.000 0.876 264 R HN 0.593 nan 8.270 nan 0.000 0.457 265 Q N -0.142 119.564 119.800 -0.156 0.000 2.607 265 Q HA 0.280 4.620 4.340 -0.001 0.000 0.247 265 Q C -2.418 173.504 176.000 -0.129 0.000 1.033 265 Q CA -1.883 53.856 55.803 -0.107 0.000 0.769 265 Q CB 1.763 30.443 28.738 -0.098 0.000 1.169 265 Q HN -0.004 nan 8.270 nan 0.000 0.508 266 P HA 0.095 nan 4.420 nan 0.000 0.257 266 P C -0.036 177.146 177.300 -0.196 0.000 1.281 266 P CA 0.079 63.036 63.100 -0.239 0.000 0.826 266 P CB -0.021 31.491 31.700 -0.314 0.000 1.237 267 F N -0.334 119.551 119.950 -0.108 0.000 2.743 267 F HA 0.163 4.690 4.527 -0.001 0.000 0.297 267 F C 1.449 177.205 175.800 -0.073 0.000 1.131 267 F CA -0.043 57.913 58.000 -0.073 0.000 1.426 267 F CB 0.022 38.992 39.000 -0.051 0.000 1.116 267 F HN -0.120 nan 8.300 nan 0.000 0.583 268 Q N 2.211 122.052 119.800 0.069 0.000 2.359 268 Q HA -0.024 4.316 4.340 -0.001 0.000 0.249 268 Q C 0.081 176.068 176.000 -0.022 0.000 1.181 268 Q CA -0.000 55.802 55.803 -0.000 0.000 0.897 268 Q CB 0.006 28.703 28.738 -0.068 0.000 1.424 268 Q HN 0.198 nan 8.270 nan 0.000 0.478 269 E N 3.052 123.255 120.200 0.005 0.000 2.498 269 E HA 0.184 4.533 4.350 -0.001 0.000 0.252 269 E C -0.535 176.048 176.600 -0.028 0.000 1.025 269 E CA 0.699 57.090 56.400 -0.015 0.000 0.938 269 E CB -0.047 29.653 29.700 -0.000 0.000 0.947 269 E HN 0.837 nan 8.360 nan 0.000 0.478 270 G N 4.762 113.544 108.800 -0.029 0.000 2.491 270 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.508 270 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.508 270 G C -1.238 173.758 174.900 0.159 0.000 1.143 270 G CA -0.691 44.422 45.100 0.021 0.000 1.277 270 G HN 0.398 nan 8.290 nan 0.000 0.599 271 F N 4.953 124.922 119.950 0.032 0.000 2.291 271 F HA 0.703 5.229 4.527 -0.001 0.000 0.368 271 F C 0.501 176.406 175.800 0.176 0.000 1.085 271 F CA -1.790 56.286 58.000 0.126 0.000 1.165 271 F CB 0.535 39.606 39.000 0.119 0.000 1.429 271 F HN 0.604 nan 8.300 nan 0.000 0.503 272 R N 7.549 128.303 120.500 0.424 0.000 2.476 272 R HA 0.690 5.030 4.340 -0.001 0.000 0.305 272 R C -1.723 174.749 176.300 0.288 0.000 0.965 272 R CA -0.796 55.453 56.100 0.248 0.000 0.867 272 R CB 1.480 31.899 30.300 0.199 0.000 1.176 272 R HN 0.630 nan 8.270 nan 0.000 0.447 273 I N -0.021 120.648 120.570 0.166 0.000 2.433 273 I HA 0.557 4.726 4.170 -0.001 0.000 0.292 273 I C -0.699 175.470 176.117 0.086 0.000 1.001 273 I CA -0.722 60.652 61.300 0.124 0.000 1.119 273 I CB 2.261 40.338 38.000 0.129 0.000 1.289 273 I HN 0.615 nan 8.210 nan 0.000 0.438 274 T N 2.760 117.336 114.554 0.037 0.000 2.926 274 T HA 0.287 4.637 4.350 -0.001 0.000 0.289 274 T C 0.384 175.104 174.700 0.032 0.000 1.054 274 T CA -0.387 61.715 62.100 0.003 0.000 1.015 274 T CB 1.285 70.148 68.868 -0.009 0.000 1.167 274 T HN 0.658 nan 8.240 nan 0.000 0.526 275 Y N 1.408 121.627 120.300 -0.135 0.000 2.256 275 Y HA -0.131 4.419 4.550 -0.001 0.000 0.288 275 Y C 1.725 177.548 175.900 -0.127 0.000 1.155 275 Y CA 2.115 60.137 58.100 -0.129 0.000 1.203 275 Y CB -0.040 38.328 38.460 -0.154 0.000 0.980 275 Y HN 0.696 nan 8.280 nan 0.000 0.530 276 D N 0.217 120.649 120.400 0.054 0.000 2.219 276 D HA -0.158 4.482 4.640 -0.001 0.000 0.205 276 D C 1.572 177.784 176.300 -0.147 0.000 0.970 276 D CA 1.511 55.455 54.000 -0.095 0.000 0.851 276 D CB -0.183 40.580 40.800 -0.062 0.000 0.943 276 D HN 0.477 nan 8.370 nan 0.000 0.488 277 D N -0.557 119.757 120.400 -0.142 0.000 2.249 277 D HA -0.012 4.628 4.640 -0.001 0.000 0.205 277 D C 1.379 177.593 176.300 -0.144 0.000 0.962 277 D CA 0.245 54.106 54.000 -0.232 0.000 0.860 277 D CB 0.235 40.833 40.800 -0.337 0.000 0.955 277 D HN 0.174 nan 8.370 nan 0.000 0.505 278 L N 1.458 122.641 121.223 -0.066 0.000 2.645 278 L HA 0.037 4.377 4.340 -0.001 0.000 0.235 278 L C 0.902 177.722 176.870 -0.083 0.000 1.150 278 L CA 0.199 55.032 54.840 -0.012 0.000 0.911 278 L CB -0.517 41.580 42.059 0.063 0.000 1.077 278 L HN -0.025 nan 8.230 nan 0.000 0.438 279 E N 0.211 120.326 120.200 -0.141 0.000 2.558 279 E HA 0.167 4.517 4.350 -0.001 0.000 0.255 279 E C 1.121 177.636 176.600 -0.142 0.000 0.968 279 E CA 0.883 57.175 56.400 -0.180 0.000 0.939 279 E CB 0.211 29.796 29.700 -0.192 0.000 0.921 279 E HN 0.340 nan 8.360 nan 0.000 0.477 280 G N 2.870 111.570 108.800 -0.167 0.000 2.253 280 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.209 280 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.209 280 G C 0.733 175.570 174.900 -0.105 0.000 0.997 280 G CA 0.234 45.257 45.100 -0.128 0.000 0.640 280 G HN 0.820 nan 8.290 nan 0.000 0.496 281 G N 0.500 109.236 108.800 -0.106 0.000 2.662 281 G HA2 0.199 4.158 3.960 -0.001 0.000 0.215 281 G HA3 0.199 4.158 3.960 -0.001 0.000 0.215 281 G C 0.677 175.536 174.900 -0.070 0.000 1.310 281 G CA 0.970 46.037 45.100 -0.054 0.000 0.849 281 G HN 1.147 nan 8.290 nan 0.000 0.568 282 N N 0.842 119.470 118.700 -0.120 0.000 2.608 282 N HA -0.151 4.588 4.740 -0.001 0.000 0.273 282 N C 0.516 176.016 175.510 -0.017 0.000 1.133 282 N CA 0.912 53.858 53.050 -0.173 0.000 0.726 282 N CB -1.191 37.004 38.487 -0.487 0.000 0.890 282 N HN 0.761 nan 8.380 nan 0.000 0.548 283 I N -0.642 119.901 120.570 -0.044 0.000 3.015 283 I HA 0.035 4.205 4.170 -0.001 0.000 0.309 283 I C -1.612 174.623 176.117 0.196 0.000 1.229 283 I CA -0.693 60.579 61.300 -0.046 0.000 1.430 283 I CB 0.209 37.865 38.000 -0.574 0.000 1.347 283 I HN 0.129 nan 8.210 nan 0.000 0.544 284 P HA 0.107 nan 4.420 nan 0.000 0.270 284 P C -0.239 177.314 177.300 0.422 0.000 1.223 284 P CA -0.192 63.151 63.100 0.405 0.000 0.785 284 P CB 0.681 32.571 31.700 0.317 0.000 0.923 285 A N 2.536 125.553 122.820 0.329 0.000 2.366 285 A HA 0.254 4.574 4.320 -0.001 0.000 0.249 285 A C 1.158 178.859 177.584 0.196 0.000 1.084 285 A CA -0.449 51.765 52.037 0.295 0.000 0.794 285 A CB -0.492 18.641 19.000 0.223 0.000 1.034 285 A HN 0.571 nan 8.150 nan 0.000 0.491 286 L N -0.460 120.845 121.223 0.136 0.000 2.483 286 L HA 0.379 4.719 4.340 -0.001 0.000 0.159 286 L C 0.058 176.910 176.870 -0.029 0.000 1.273 286 L CA 0.268 55.075 54.840 -0.055 0.000 2.526 286 L CB -0.112 41.914 42.059 -0.055 0.000 2.598 286 L HN 0.711 nan 8.230 nan 0.000 0.766 287 L N -0.579 120.617 121.223 -0.045 0.000 2.847 287 L HA 0.218 4.557 4.340 -0.001 0.000 0.261 287 L C -1.184 175.664 176.870 -0.037 0.000 0.926 287 L CA -0.490 54.319 54.840 -0.052 0.000 1.010 287 L CB 1.424 43.428 42.059 -0.091 0.000 1.538 287 L HN 0.251 nan 8.230 nan 0.000 0.465 288 D N 3.780 124.163 120.400 -0.028 0.000 2.383 288 D HA 0.051 4.691 4.640 -0.001 0.000 0.275 288 D C 1.366 177.680 176.300 0.023 0.000 1.344 288 D CA 0.373 54.365 54.000 -0.012 0.000 0.984 288 D CB 1.225 42.018 40.800 -0.012 0.000 1.104 288 D HN 0.462 nan 8.370 nan 0.000 0.524 289 V N 4.141 124.069 119.914 0.023 0.000 2.231 289 V HA -0.287 3.833 4.120 -0.001 0.000 0.250 289 V C 1.919 178.058 176.094 0.074 0.000 1.058 289 V CA 1.777 64.109 62.300 0.053 0.000 1.022 289 V CB -0.289 31.553 31.823 0.032 0.000 0.640 289 V HN 0.550 nan 8.190 nan 0.000 0.445 290 D N 0.531 120.955 120.400 0.040 0.000 2.224 290 D HA 0.014 4.654 4.640 -0.001 0.000 0.205 290 D C 1.639 177.958 176.300 0.032 0.000 0.965 290 D CA 1.366 55.381 54.000 0.026 0.000 0.852 290 D CB -0.056 40.749 40.800 0.009 0.000 0.947 290 D HN 0.515 nan 8.370 nan 0.000 0.494 291 A N -0.334 122.514 122.820 0.048 0.000 2.648 291 A HA 0.138 4.458 4.320 -0.001 0.000 0.269 291 A C 0.576 178.241 177.584 0.134 0.000 1.392 291 A CA -0.057 52.014 52.037 0.057 0.000 1.019 291 A CB -0.499 18.521 19.000 0.032 0.000 1.009 291 A HN 0.341 nan 8.150 nan 0.000 0.565 292 Y N -2.479 117.807 120.300 -0.023 0.000 3.032 292 Y HA 0.071 4.620 4.550 -0.001 0.000 0.232 292 Y C 1.706 177.594 175.900 -0.020 0.000 1.107 292 Y CA 0.765 58.850 58.100 -0.024 0.000 1.355 292 Y CB -0.103 38.340 38.460 -0.029 0.000 1.413 292 Y HN 0.216 nan 8.280 nan 0.000 0.447 293 Q N 0.813 120.551 119.800 -0.102 0.000 2.083 293 Q HA 0.040 4.379 4.340 -0.001 0.000 0.198 293 Q C 1.740 177.659 176.000 -0.134 0.000 0.969 293 Q CA 1.505 57.197 55.803 -0.184 0.000 0.838 293 Q CB 0.121 28.843 28.738 -0.026 0.000 0.900 293 Q HN 0.575 nan 8.270 nan 0.000 0.436 294 A N -0.397 122.382 122.820 -0.068 0.000 2.218 294 A HA 0.056 4.376 4.320 -0.001 0.000 0.209 294 A C 1.445 178.994 177.584 -0.058 0.000 1.168 294 A CA 0.499 52.504 52.037 -0.054 0.000 0.804 294 A CB 0.180 19.164 19.000 -0.026 0.000 0.834 294 A HN 0.165 nan 8.150 nan 0.000 0.482 295 S N 0.048 115.705 115.700 -0.072 0.000 2.481 295 S HA 0.543 5.013 4.470 -0.001 0.000 0.243 295 S C 0.201 174.744 174.600 -0.096 0.000 1.152 295 S CA -0.405 57.760 58.200 -0.058 0.000 1.168 295 S CB -1.441 61.749 63.200 -0.017 0.000 0.835 295 S HN 0.439 nan 8.310 nan 0.000 0.474 313 K N 1.282 121.707 120.400 0.040 0.000 2.345 313 K HA 0.523 4.843 4.320 -0.001 0.000 0.255 313 K C -2.065 174.582 176.600 0.079 0.000 0.934 313 K CA -1.241 55.097 56.287 0.085 0.000 0.801 313 K CB 1.978 34.544 32.500 0.110 0.000 1.137 313 K HN -0.160 nan 8.250 nan 0.000 0.424 314 P HA 0.038 nan 4.420 nan 0.000 0.266 314 P C 1.038 178.375 177.300 0.063 0.000 1.561 314 P CA -0.205 62.941 63.100 0.077 0.000 1.089 314 P CB 0.018 31.764 31.700 0.077 0.000 1.534 315 V N -0.081 119.855 119.914 0.037 0.000 2.277 315 V HA -0.309 3.810 4.120 -0.001 0.000 0.255 315 V C 1.958 177.983 176.094 -0.115 0.000 1.074 315 V CA 2.188 64.414 62.300 -0.123 0.000 1.058 315 V CB -2.105 29.587 31.823 -0.219 0.000 0.656 315 V HN 0.272 nan 8.190 nan 0.000 0.449 316 I N -0.844 119.683 120.570 -0.072 0.000 3.472 316 I HA 0.228 4.398 4.170 -0.001 0.000 0.313 316 I C 0.791 176.884 176.117 -0.040 0.000 1.173 316 I CA 0.526 61.788 61.300 -0.063 0.000 1.198 316 I CB -0.910 37.064 38.000 -0.045 0.000 0.992 316 I HN 0.162 nan 8.210 nan 0.000 0.538 317 K N 2.909 123.286 120.400 -0.038 0.000 2.334 317 K HA 0.511 4.830 4.320 -0.001 0.000 0.265 317 K C -2.609 173.975 176.600 -0.027 0.000 1.039 317 K CA -2.162 54.112 56.287 -0.023 0.000 0.920 317 K CB 1.027 33.522 32.500 -0.008 0.000 1.160 317 K HN -0.024 nan 8.250 nan 0.000 0.451 318 P HA 0.019 nan 4.420 nan 0.000 0.272 318 P C -0.688 176.596 177.300 -0.026 0.000 1.230 318 P CA -0.469 62.631 63.100 -0.000 0.000 0.788 318 P CB 0.578 32.298 31.700 0.032 0.000 0.949 319 L N 2.102 123.301 121.223 -0.039 0.000 2.391 319 L HA 0.066 4.406 4.340 -0.001 0.000 0.249 319 L C 1.709 178.418 176.870 -0.270 0.000 1.308 319 L CA 0.394 55.153 54.840 -0.136 0.000 1.209 319 L CB -1.227 40.750 42.059 -0.137 0.000 1.401 319 L HN 0.416 nan 8.230 nan 0.000 0.416 320 T N 0.876 115.336 114.554 -0.158 0.000 2.684 320 T HA -0.207 4.142 4.350 -0.001 0.000 0.267 320 T C 0.792 175.353 174.700 -0.232 0.000 1.032 320 T CA 1.992 64.010 62.100 -0.138 0.000 1.155 320 T CB 0.029 68.857 68.868 -0.066 0.000 0.857 320 T HN 0.683 nan 8.240 nan 0.000 0.457 321 E N -0.586 119.439 120.200 -0.292 0.000 2.428 321 E HA 0.508 4.858 4.350 -0.001 0.000 0.259 321 E C -1.207 175.167 176.600 -0.376 0.000 0.930 321 E CA -0.946 55.288 56.400 -0.276 0.000 0.823 321 E CB 1.222 30.846 29.700 -0.128 0.000 1.403 321 E HN 0.059 nan 8.360 nan 0.000 0.415 322 D N -0.344 119.936 120.400 -0.200 0.000 2.859 322 D HA 0.114 4.754 4.640 -0.001 0.000 0.223 322 D C 0.513 176.804 176.300 -0.016 0.000 1.218 322 D CA -0.217 53.718 54.000 -0.109 0.000 0.850 322 D CB 2.180 42.977 40.800 -0.005 0.000 1.656 322 D HN 0.410 nan 8.370 nan 0.000 0.484 323 S N 2.829 118.530 115.700 0.001 0.000 2.396 323 S HA -0.337 4.133 4.470 -0.001 0.000 0.476 323 S C 0.803 175.418 174.600 0.025 0.000 1.048 323 S CA 2.131 60.343 58.200 0.021 0.000 2.784 323 S CB -0.439 62.786 63.200 0.041 0.000 2.036 323 S HN 0.613 nan 8.310 nan 0.000 0.520 324 K N 1.476 121.903 120.400 0.045 0.000 3.226 324 K HA 0.219 4.539 4.320 -0.001 0.000 0.268 324 K C 0.010 176.636 176.600 0.043 0.000 1.217 324 K CA -0.053 56.263 56.287 0.049 0.000 1.242 324 K CB -0.031 32.510 32.500 0.068 0.000 1.389 324 K HN 0.449 nan 8.250 nan 0.000 0.406 325 K N 2.080 122.492 120.400 0.020 0.000 3.974 325 K HA -0.210 4.110 4.320 -0.001 0.000 0.280 325 K C -1.312 175.295 176.600 0.011 0.000 0.949 325 K CA 0.625 56.915 56.287 0.005 0.000 0.817 325 K CB -0.535 31.970 32.500 0.008 0.000 1.535 325 K HN 0.457 nan 8.250 nan 0.000 0.444 326 R N 1.085 121.592 120.500 0.012 0.000 2.388 326 R HA 0.204 4.544 4.340 -0.001 0.000 0.314 326 R C 0.114 176.439 176.300 0.042 0.000 0.959 326 R CA -0.518 55.605 56.100 0.039 0.000 0.851 326 R CB 1.601 31.950 30.300 0.082 0.000 1.168 326 R HN 0.340 nan 8.270 nan 0.000 0.472 327 S N 2.079 117.798 115.700 0.032 0.000 2.572 327 S HA 0.037 4.507 4.470 -0.001 0.000 0.279 327 S C 0.326 175.035 174.600 0.181 0.000 1.341 327 S CA -0.294 57.925 58.200 0.032 0.000 1.043 327 S CB 0.383 63.584 63.200 0.002 0.000 0.887 327 S HN 0.736 nan 8.310 nan 0.000 0.516 328 Y N 1.398 121.688 120.300 -0.017 0.000 2.468 328 Y HA 0.174 4.723 4.550 -0.001 0.000 0.268 328 Y C 0.623 176.429 175.900 -0.157 0.000 1.177 328 Y CA -0.658 57.434 58.100 -0.014 0.000 1.265 328 Y CB -0.178 38.319 38.460 0.061 0.000 1.103 328 Y HN 0.797 nan 8.280 nan 0.000 0.522 329 N N 1.005 119.696 118.700 -0.015 0.000 2.714 329 N HA -0.217 4.522 4.740 -0.001 0.000 0.252 329 N C -0.833 174.637 175.510 -0.067 0.000 1.014 329 N CA 0.283 53.265 53.050 -0.114 0.000 0.735 329 N CB -1.916 36.395 38.487 -0.293 0.000 0.924 329 N HN 0.351 nan 8.380 nan 0.000 0.540 330 L N 0.217 121.451 121.223 0.019 0.000 2.456 330 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 330 L C 2.392 179.275 176.870 0.022 0.000 1.189 330 L CA -0.394 54.475 54.840 0.049 0.000 0.846 330 L CB 0.286 42.393 42.059 0.079 0.000 1.111 330 L HN 0.109 nan 8.230 nan 0.000 0.475 331 I N 0.008 120.595 120.570 0.028 0.000 2.113 331 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 331 I C 1.329 177.454 176.117 0.013 0.000 1.064 331 I CA 1.693 62.999 61.300 0.010 0.000 1.320 331 I CB -0.241 37.759 38.000 0.001 0.000 1.028 331 I HN 0.771 nan 8.210 nan 0.000 0.406 332 S N -1.456 114.261 115.700 0.028 0.000 2.705 332 S HA 0.323 4.792 4.470 -0.001 0.000 0.280 332 S C 0.507 175.124 174.600 0.028 0.000 1.174 332 S CA -0.751 57.463 58.200 0.022 0.000 0.823 332 S CB 1.259 64.472 63.200 0.021 0.000 1.162 332 S HN 0.123 nan 8.310 nan 0.000 0.487 333 N N 1.229 119.940 118.700 0.019 0.000 2.309 333 N HA -0.090 4.650 4.740 -0.001 0.000 0.182 333 N C 0.533 176.056 175.510 0.022 0.000 1.018 333 N CA 0.944 54.004 53.050 0.017 0.000 0.876 333 N CB -0.152 38.340 38.487 0.008 0.000 0.972 333 N HN 0.540 nan 8.380 nan 0.000 0.434 334 D N 0.839 121.254 120.400 0.025 0.000 2.117 334 D HA -0.059 4.581 4.640 -0.001 0.000 0.198 334 D C 0.759 177.087 176.300 0.047 0.000 0.982 334 D CA 0.533 54.550 54.000 0.028 0.000 0.828 334 D CB -0.058 40.757 40.800 0.025 0.000 0.967 334 D HN 0.008 nan 8.370 nan 0.000 0.464 335 S N -0.049 115.693 115.700 0.069 0.000 2.562 335 S HA 0.052 4.521 4.470 -0.001 0.000 0.281 335 S C 1.286 175.962 174.600 0.127 0.000 1.333 335 S CA -0.114 58.160 58.200 0.123 0.000 1.052 335 S CB 0.935 64.222 63.200 0.145 0.000 0.884 335 S HN 0.261 nan 8.310 nan 0.000 0.506 336 T N 2.356 116.995 114.554 0.143 0.000 3.122 336 T HA 0.339 4.689 4.350 -0.001 0.000 0.250 336 T C 0.056 174.845 174.700 0.147 0.000 1.067 336 T CA -0.148 61.987 62.100 0.059 0.000 0.966 336 T CB -0.472 68.349 68.868 -0.078 0.000 1.002 336 T HN 0.406 nan 8.240 nan 0.000 0.542 337 F N 1.807 121.804 119.950 0.078 0.000 2.556 337 F HA 0.608 5.134 4.527 -0.001 0.000 0.327 337 F C 0.852 176.689 175.800 0.061 0.000 1.059 337 F CA -1.222 56.821 58.000 0.071 0.000 0.953 337 F CB 1.806 40.823 39.000 0.029 0.000 1.227 337 F HN -0.023 nan 8.300 nan 0.000 0.478 338 T N -1.850 112.852 114.554 0.248 0.000 2.944 338 T HA 0.236 4.586 4.350 -0.001 0.000 0.284 338 T C 0.311 175.014 174.700 0.005 0.000 1.010 338 T CA -0.609 61.555 62.100 0.106 0.000 1.025 338 T CB 1.582 70.512 68.868 0.103 0.000 1.079 338 T HN 0.710 nan 8.240 nan 0.000 0.516 339 Q N -0.205 119.550 119.800 -0.076 0.000 2.482 339 Q HA 0.098 4.437 4.340 -0.001 0.000 0.209 339 Q C -0.517 175.482 176.000 -0.002 0.000 0.961 339 Q CA 0.259 56.028 55.803 -0.057 0.000 0.945 339 Q CB -0.078 28.624 28.738 -0.061 0.000 1.012 339 Q HN 0.681 nan 8.270 nan 0.000 0.515 340 Y N 0.687 120.952 120.300 -0.058 0.000 2.496 340 Y HA 0.136 4.685 4.550 -0.001 0.000 0.334 340 Y C 0.346 176.157 175.900 -0.148 0.000 1.080 340 Y CA -0.486 57.535 58.100 -0.132 0.000 1.355 340 Y CB 0.512 38.815 38.460 -0.261 0.000 1.193 340 Y HN -0.105 nan 8.280 nan 0.000 0.523 341 R N 1.744 122.300 120.500 0.094 0.000 2.532 341 R HA 0.404 4.743 4.340 -0.001 0.000 0.295 341 R C -0.819 175.483 176.300 0.003 0.000 0.968 341 R CA -0.531 55.582 56.100 0.021 0.000 0.916 341 R CB 1.744 32.083 30.300 0.065 0.000 1.124 341 R HN 0.524 nan 8.270 nan 0.000 0.463 342 S N 2.230 117.936 115.700 0.010 0.000 2.478 342 S HA 0.132 4.602 4.470 -0.001 0.000 0.312 342 S C 0.253 174.933 174.600 0.133 0.000 1.094 342 S CA -0.801 57.453 58.200 0.090 0.000 1.081 342 S CB 0.524 63.799 63.200 0.125 0.000 1.007 342 S HN 0.762 nan 8.310 nan 0.000 0.475 343 W N 5.626 127.003 121.300 0.128 0.000 2.335 343 W HA -0.199 4.460 4.660 -0.001 0.000 0.311 343 W C 1.510 178.170 176.519 0.236 0.000 1.213 343 W CA 1.787 59.231 57.345 0.166 0.000 1.274 343 W CB -0.718 28.843 29.460 0.168 0.000 1.148 343 W HN 0.967 nan 8.180 nan 0.000 0.498 344 Y N 0.410 120.537 120.300 -0.288 0.000 2.181 344 Y HA -0.246 4.303 4.550 -0.001 0.000 0.288 344 Y C 2.321 178.016 175.900 -0.341 0.000 1.146 344 Y CA 2.565 60.396 58.100 -0.448 0.000 1.164 344 Y CB -0.507 37.898 38.460 -0.091 0.000 0.982 344 Y HN -0.079 nan 8.280 nan 0.000 0.515 345 L N -1.013 120.238 121.223 0.047 0.000 2.156 345 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 345 L C 2.681 179.497 176.870 -0.091 0.000 1.095 345 L CA 0.889 55.769 54.840 0.065 0.000 0.770 345 L CB -0.907 41.261 42.059 0.182 0.000 0.914 345 L HN 0.278 nan 8.230 nan 0.000 0.439 346 A N -0.671 122.057 122.820 -0.152 0.000 1.897 346 A HA -0.247 4.072 4.320 -0.001 0.000 0.215 346 A C 2.158 179.579 177.584 -0.272 0.000 1.181 346 A CA 1.094 53.036 52.037 -0.160 0.000 0.620 346 A CB -0.739 18.207 19.000 -0.089 0.000 0.821 346 A HN 0.399 nan 8.150 nan 0.000 0.443 347 Y N 0.420 120.403 120.300 -0.528 0.000 2.293 347 Y HA -0.106 4.444 4.550 -0.001 0.000 0.291 347 Y C 2.301 177.902 175.900 -0.498 0.000 1.137 347 Y CA 1.902 59.682 58.100 -0.533 0.000 1.202 347 Y CB 0.059 37.926 38.460 -0.990 0.000 0.990 347 Y HN 0.343 nan 8.280 nan 0.000 0.537 348 N N -2.017 116.325 118.700 -0.596 0.000 2.499 348 N HA -0.047 4.693 4.740 -0.001 0.000 0.182 348 N C 0.836 175.994 175.510 -0.588 0.000 1.034 348 N CA 0.903 53.532 53.050 -0.702 0.000 0.882 348 N CB -0.015 37.874 38.487 -0.995 0.000 1.125 348 N HN 0.377 nan 8.380 nan 0.000 0.436 349 Y N 0.330 120.517 120.300 -0.187 0.000 2.442 349 Y HA 0.353 4.903 4.550 -0.001 0.000 0.250 349 Y C 1.579 177.408 175.900 -0.118 0.000 1.113 349 Y CA -0.508 57.514 58.100 -0.131 0.000 1.273 349 Y CB 0.527 38.922 38.460 -0.109 0.000 1.138 349 Y HN -0.085 nan 8.280 nan 0.000 0.522 350 G N 0.030 108.814 108.800 -0.026 0.000 2.588 350 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.278 350 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.278 350 G C -0.750 174.111 174.900 -0.065 0.000 1.307 350 G CA -0.433 44.637 45.100 -0.050 0.000 1.016 350 G HN 0.083 nan 8.290 nan 0.000 0.503 351 D N 0.495 120.860 120.400 -0.058 0.000 2.382 351 D HA 0.068 4.707 4.640 -0.001 0.000 0.259 351 D C -1.002 175.253 176.300 -0.076 0.000 1.224 351 D CA -1.270 52.699 54.000 -0.053 0.000 0.894 351 D CB 1.602 42.379 40.800 -0.037 0.000 1.127 351 D HN 0.020 nan 8.370 nan 0.000 0.487 352 P HA -0.104 nan 4.420 nan 0.000 0.230 352 P C 0.646 177.903 177.300 -0.071 0.000 1.158 352 P CA 0.973 64.003 63.100 -0.118 0.000 0.769 352 P CB 0.490 32.126 31.700 -0.107 0.000 0.807 353 Q N -1.704 118.074 119.800 -0.037 0.000 2.391 353 Q HA 0.091 4.431 4.340 -0.001 0.000 0.243 353 Q C 1.751 177.760 176.000 0.014 0.000 0.874 353 Q CA 0.788 56.587 55.803 -0.007 0.000 0.950 353 Q CB 0.057 28.793 28.738 -0.004 0.000 1.103 353 Q HN 0.129 nan 8.270 nan 0.000 0.544 354 T N 0.260 114.814 114.554 0.001 0.000 2.976 354 T HA 0.098 4.447 4.350 -0.001 0.000 0.257 354 T C 0.691 175.401 174.700 0.017 0.000 1.051 354 T CA 0.982 63.087 62.100 0.008 0.000 1.141 354 T CB 0.175 69.034 68.868 -0.013 0.000 0.881 354 T HN 0.331 nan 8.240 nan 0.000 0.461 355 G N -0.258 108.544 108.800 0.003 0.000 3.107 355 G HA2 0.534 4.494 3.960 -0.001 0.000 0.232 355 G HA3 0.534 4.494 3.960 -0.001 0.000 0.232 355 G C 0.659 175.602 174.900 0.072 0.000 1.339 355 G CA -0.744 44.359 45.100 0.005 0.000 1.033 355 G HN 0.208 nan 8.290 nan 0.000 0.567 356 I N -0.049 120.576 120.570 0.092 0.000 2.730 356 I HA -0.184 3.986 4.170 -0.001 0.000 0.266 356 I C 2.779 179.079 176.117 0.305 0.000 1.228 356 I CA 0.874 62.345 61.300 0.284 0.000 1.445 356 I CB 0.091 38.296 38.000 0.342 0.000 1.102 356 I HN 0.471 nan 8.210 nan 0.000 0.464 357 R N 0.067 120.539 120.500 -0.047 0.000 2.148 357 R HA -0.159 4.180 4.340 -0.001 0.000 0.227 357 R C 2.478 178.764 176.300 -0.023 0.000 1.103 357 R CA 1.639 57.527 56.100 -0.353 0.000 0.983 357 R CB -0.029 29.882 30.300 -0.649 0.000 0.874 357 R HN 0.464 nan 8.270 nan 0.000 0.451 358 S N -0.687 115.068 115.700 0.092 0.000 2.406 358 S HA -0.124 4.346 4.470 -0.001 0.000 0.224 358 S C 1.805 176.531 174.600 0.210 0.000 1.030 358 S CA 0.119 58.399 58.200 0.132 0.000 0.958 358 S CB -0.535 62.746 63.200 0.135 0.000 0.811 358 S HN 0.558 nan 8.310 nan 0.000 0.489 359 W N 1.920 123.288 121.300 0.112 0.000 2.388 359 W HA 0.115 4.775 4.660 -0.000 0.000 0.294 359 W C 0.685 177.310 176.519 0.175 0.000 1.212 359 W CA 1.261 58.693 57.345 0.145 0.000 1.271 359 W CB -0.115 29.459 29.460 0.190 0.000 1.126 359 W HN 0.325 nan 8.180 nan 0.000 0.535 360 T N -0.492 114.307 114.554 0.408 0.000 2.696 360 T HA 0.509 4.859 4.350 -0.001 0.000 0.291 360 T C -1.793 173.205 174.700 0.496 0.000 1.095 360 T CA -0.589 61.753 62.100 0.403 0.000 1.026 360 T CB 1.507 70.766 68.868 0.652 0.000 1.390 360 T HN -0.209 nan 8.240 nan 0.000 0.513 361 L N 1.777 123.205 121.223 0.341 0.000 2.455 361 L HA 0.719 5.059 4.340 -0.001 0.000 0.264 361 L C -1.686 175.146 176.870 -0.063 0.000 0.968 361 L CA -0.803 54.165 54.840 0.213 0.000 0.827 361 L CB 1.884 44.008 42.059 0.110 0.000 1.317 361 L HN 0.492 nan 8.230 nan 0.000 0.407 362 L N 4.902 125.930 121.223 -0.325 0.000 2.295 362 L HA 0.490 4.830 4.340 -0.001 0.000 0.288 362 L C -0.816 176.026 176.870 -0.046 0.000 1.079 362 L CA 0.157 54.834 54.840 -0.272 0.000 0.830 362 L CB -0.253 41.477 42.059 -0.548 0.000 1.200 362 L HN 0.732 nan 8.230 nan 0.000 0.438 363 C N 1.770 121.067 119.300 -0.005 0.000 2.595 363 C HA 0.721 5.181 4.460 -0.001 0.000 0.338 363 C C 0.771 175.772 174.990 0.018 0.000 1.219 363 C CA -0.764 58.253 59.018 -0.002 0.000 1.811 363 C CB 1.592 29.315 27.740 -0.028 0.000 2.313 363 C HN 0.839 nan 8.230 nan 0.000 0.499 364 T N 0.885 115.444 114.554 0.007 0.000 2.926 364 T HA 0.284 4.634 4.350 -0.001 0.000 0.307 364 T C -2.256 172.436 174.700 -0.012 0.000 1.059 364 T CA -0.663 61.442 62.100 0.008 0.000 1.122 364 T CB 0.189 69.047 68.868 -0.016 0.000 0.972 364 T HN 0.642 nan 8.240 nan 0.000 0.545 365 P HA 0.121 nan 4.420 nan 0.000 0.261 365 P C -0.799 176.470 177.300 -0.052 0.000 1.183 365 P CA 0.120 63.197 63.100 -0.038 0.000 0.761 365 P CB 0.291 31.979 31.700 -0.020 0.000 0.785 366 D N 2.757 123.114 120.400 -0.072 0.000 2.412 366 D HA 0.058 4.697 4.640 -0.001 0.000 0.224 366 D C 0.957 177.212 176.300 -0.075 0.000 1.093 366 D CA -0.545 53.414 54.000 -0.068 0.000 0.850 366 D CB 0.807 41.564 40.800 -0.072 0.000 1.046 366 D HN -0.055 nan 8.370 nan 0.000 0.507 367 V N 3.479 123.356 119.914 -0.061 0.000 3.026 367 V HA -0.145 3.975 4.120 -0.001 0.000 0.265 367 V C 1.505 177.569 176.094 -0.051 0.000 1.121 367 V CA 2.093 64.360 62.300 -0.054 0.000 1.142 367 V CB -0.326 31.475 31.823 -0.038 0.000 0.730 367 V HN 0.710 nan 8.190 nan 0.000 0.503 368 T N -2.649 111.871 114.554 -0.057 0.000 3.010 368 T HA -0.026 4.324 4.350 -0.001 0.000 0.252 368 T C 1.308 175.956 174.700 -0.088 0.000 1.047 368 T CA 0.930 62.993 62.100 -0.062 0.000 1.140 368 T CB -0.104 68.737 68.868 -0.045 0.000 0.885 368 T HN 0.502 nan 8.240 nan 0.000 0.464 369 C N -0.087 119.159 119.300 -0.090 0.000 5.277 369 C HA -0.086 4.373 4.460 -0.001 0.000 0.225 369 C C 1.854 176.783 174.990 -0.101 0.000 1.237 369 C CA 0.596 59.552 59.018 -0.103 0.000 1.297 369 C CB -1.670 26.005 27.740 -0.109 0.000 1.947 369 C HN 0.824 nan 8.230 nan 0.000 0.642 370 G N -1.250 107.492 108.800 -0.096 0.000 4.242 370 G HA2 0.391 4.351 3.960 -0.001 0.000 0.159 370 G HA3 0.391 4.351 3.960 -0.001 0.000 0.159 370 G C 0.340 175.190 174.900 -0.084 0.000 0.921 370 G CA 0.985 46.027 45.100 -0.097 0.000 0.910 370 G HN 1.989 nan 8.290 nan 0.000 0.419 371 S N 0.985 116.639 115.700 -0.076 0.000 3.292 371 S HA -0.205 4.265 4.470 -0.001 0.000 0.360 371 S C -0.081 174.479 174.600 -0.067 0.000 0.930 371 S CA 1.459 59.624 58.200 -0.059 0.000 1.317 371 S CB -1.887 61.293 63.200 -0.034 0.000 0.920 371 S HN 0.712 nan 8.310 nan 0.000 0.540 372 E N 2.066 122.211 120.200 -0.091 0.000 2.349 372 E HA 0.243 4.592 4.350 -0.001 0.000 0.265 372 E C 0.807 177.336 176.600 -0.117 0.000 1.064 372 E CA -0.800 55.536 56.400 -0.106 0.000 0.886 372 E CB 0.450 30.072 29.700 -0.130 0.000 1.036 372 E HN 0.793 nan 8.360 nan 0.000 0.413 373 Q N 0.869 120.575 119.800 -0.156 0.000 2.260 373 Q HA 0.350 4.690 4.340 -0.001 0.000 0.242 373 Q C -0.204 175.570 176.000 -0.377 0.000 0.932 373 Q CA -0.617 55.065 55.803 -0.202 0.000 0.891 373 Q CB 1.213 29.847 28.738 -0.173 0.000 1.222 373 Q HN 0.321 nan 8.270 nan 0.000 0.453 374 V N -0.450 119.285 119.914 -0.297 0.000 2.994 374 V HA 0.662 4.782 4.120 -0.001 0.000 0.318 374 V C -1.106 174.832 176.094 -0.259 0.000 1.085 374 V CA -1.040 61.054 62.300 -0.343 0.000 0.998 374 V CB 1.056 32.751 31.823 -0.213 0.000 1.063 374 V HN 0.734 nan 8.190 nan 0.000 0.447 375 Y N -0.888 119.373 120.300 -0.066 0.000 2.442 375 Y HA 0.623 5.173 4.550 -0.001 0.000 0.344 375 Y C -0.733 175.115 175.900 -0.087 0.000 0.976 375 Y CA -1.072 57.025 58.100 -0.006 0.000 1.040 375 Y CB 1.406 39.909 38.460 0.072 0.000 1.228 375 Y HN 0.724 nan 8.280 nan 0.000 0.451 376 W N 1.874 123.241 121.300 0.113 0.000 2.316 376 W HA 0.620 5.279 4.660 -0.000 0.000 0.321 376 W C -0.472 176.019 176.519 -0.048 0.000 1.203 376 W CA -0.265 57.070 57.345 -0.016 0.000 1.214 376 W CB 1.470 30.826 29.460 -0.174 0.000 1.169 376 W HN 0.407 nan 8.180 nan 0.000 0.561 377 S N 2.931 118.772 115.700 0.235 0.000 2.672 377 S HA 0.536 5.005 4.470 -0.001 0.000 0.291 377 S C -0.741 173.847 174.600 -0.021 0.000 1.145 377 S CA -0.832 57.404 58.200 0.060 0.000 1.013 377 S CB 1.078 64.344 63.200 0.108 0.000 1.017 377 S HN 0.486 nan 8.310 nan 0.000 0.487 378 L N 3.147 124.309 121.223 -0.102 0.000 3.209 378 L HA 0.319 4.658 4.340 -0.001 0.000 0.279 378 L C -1.633 175.125 176.870 -0.186 0.000 1.301 378 L CA -1.341 53.416 54.840 -0.138 0.000 1.004 378 L CB 1.101 43.084 42.059 -0.126 0.000 1.402 378 L HN 0.475 nan 8.230 nan 0.000 0.577 379 P HA -0.098 nan 4.420 nan 0.000 0.239 379 P C -0.086 177.084 177.300 -0.216 0.000 1.184 379 P CA 0.809 63.751 63.100 -0.262 0.000 0.760 379 P CB -0.035 31.400 31.700 -0.443 0.000 0.884 380 D N -2.505 117.776 120.400 -0.198 0.000 2.368 380 D HA 0.171 4.810 4.640 -0.001 0.000 0.218 380 D C 1.623 177.859 176.300 -0.106 0.000 1.112 380 D CA -0.020 53.896 54.000 -0.139 0.000 0.834 380 D CB 0.131 40.853 40.800 -0.129 0.000 0.953 380 D HN 0.144 nan 8.370 nan 0.000 0.505 381 M N -0.753 118.781 119.600 -0.110 0.000 2.893 381 M HA 0.307 4.787 4.480 -0.001 0.000 0.201 381 M C -0.710 175.545 176.300 -0.075 0.000 1.926 381 M CA -0.025 55.221 55.300 -0.091 0.000 1.302 381 M CB 0.584 33.123 32.600 -0.100 0.000 1.249 381 M HN -0.157 nan 8.290 nan 0.000 0.599 382 M N 2.375 121.925 119.600 -0.084 0.000 2.249 382 M HA 0.066 4.546 4.480 -0.001 0.000 0.340 382 M C -0.386 175.883 176.300 -0.052 0.000 1.166 382 M CA 0.743 56.004 55.300 -0.065 0.000 1.115 382 M CB 0.383 32.934 32.600 -0.083 0.000 1.606 382 M HN 0.224 nan 8.290 nan 0.000 0.448 383 Q N 3.623 123.411 119.800 -0.019 0.000 2.276 383 Q HA 0.016 4.356 4.340 -0.001 0.000 0.267 383 Q C -0.474 175.512 176.000 -0.024 0.000 1.135 383 Q CA -0.202 55.600 55.803 -0.001 0.000 0.910 383 Q CB -0.129 28.633 28.738 0.038 0.000 1.271 383 Q HN 0.601 nan 8.270 nan 0.000 0.417 384 D N 5.200 125.578 120.400 -0.036 0.000 2.661 384 D HA -0.038 4.602 4.640 -0.001 0.000 0.244 384 D C -1.904 174.395 176.300 -0.002 0.000 1.196 384 D CA -0.756 53.213 54.000 -0.052 0.000 0.881 384 D CB 0.106 40.904 40.800 -0.004 0.000 1.141 384 D HN 0.232 nan 8.370 nan 0.000 0.530 385 P HA -0.078 nan 4.420 nan 0.000 0.272 385 P C 0.455 177.872 177.300 0.195 0.000 1.243 385 P CA -0.450 62.682 63.100 0.052 0.000 0.803 385 P CB 0.270 31.970 31.700 -0.001 0.000 0.974 386 V N -2.839 117.177 119.914 0.170 0.000 2.694 386 V HA 0.154 4.273 4.120 -0.001 0.000 0.306 386 V C 1.443 177.641 176.094 0.173 0.000 1.054 386 V CA 0.745 63.128 62.300 0.138 0.000 1.161 386 V CB -0.873 31.001 31.823 0.085 0.000 0.916 386 V HN 1.078 nan 8.190 nan 0.000 0.490 387 T N 0.685 115.293 114.554 0.091 0.000 9.545 387 T HA -0.276 4.074 4.350 -0.001 0.000 0.344 387 T C -0.134 174.564 174.700 -0.004 0.000 1.908 387 T CA 1.135 63.236 62.100 0.001 0.000 3.011 387 T CB -2.550 66.259 68.868 -0.099 0.000 2.298 387 T HN 0.956 nan 8.240 nan 0.000 0.992 388 F N 3.934 123.887 119.950 0.006 0.000 2.472 388 F HA 0.513 5.040 4.527 -0.001 0.000 0.364 388 F C 1.453 177.265 175.800 0.020 0.000 1.090 388 F CA -0.791 57.216 58.000 0.011 0.000 1.188 388 F CB 0.594 39.599 39.000 0.009 0.000 1.105 388 F HN 0.110 nan 8.300 nan 0.000 0.536 389 R N 1.650 122.261 120.500 0.184 0.000 2.585 389 R HA -0.011 4.329 4.340 -0.001 0.000 0.275 389 R C 0.223 176.617 176.300 0.156 0.000 1.018 389 R CA -0.056 56.121 56.100 0.129 0.000 1.072 389 R CB 0.754 31.109 30.300 0.092 0.000 0.953 389 R HN 0.522 nan 8.270 nan 0.000 0.419 390 S N 1.874 117.641 115.700 0.112 0.000 2.411 390 S HA 0.137 4.607 4.470 -0.001 0.000 0.304 390 S C -0.046 174.620 174.600 0.110 0.000 1.098 390 S CA -0.215 58.044 58.200 0.099 0.000 1.068 390 S CB 0.365 63.604 63.200 0.065 0.000 1.032 390 S HN 0.591 nan 8.310 nan 0.000 0.511 391 T N 1.990 116.642 114.554 0.163 0.000 2.858 391 T HA 0.611 4.960 4.350 -0.001 0.000 0.285 391 T C 0.418 175.287 174.700 0.281 0.000 1.052 391 T CA -0.194 62.014 62.100 0.181 0.000 1.009 391 T CB 1.411 70.371 68.868 0.153 0.000 1.241 391 T HN 0.595 nan 8.240 nan 0.000 0.542 392 S N 0.232 116.077 115.700 0.240 0.000 2.900 392 S HA 0.314 4.783 4.470 -0.001 0.000 0.253 392 S C 0.146 174.824 174.600 0.130 0.000 1.029 392 S CA -0.466 57.919 58.200 0.309 0.000 1.096 392 S CB -0.012 63.286 63.200 0.164 0.000 1.067 392 S HN 0.663 nan 8.310 nan 0.000 0.610 393 Q N 1.280 121.058 119.800 -0.037 0.000 2.349 393 Q HA 0.395 4.735 4.340 -0.001 0.000 0.254 393 Q C 0.244 175.798 176.000 -0.742 0.000 0.980 393 Q CA -0.378 55.284 55.803 -0.234 0.000 0.924 393 Q CB 0.459 29.122 28.738 -0.125 0.000 1.209 393 Q HN 0.455 nan 8.270 nan 0.000 0.445 394 I N 1.756 121.834 120.570 -0.819 0.000 2.953 394 I HA -0.253 3.916 4.170 -0.001 0.000 0.271 394 I C 1.491 177.180 176.117 -0.713 0.000 1.286 394 I CA 1.003 61.602 61.300 -1.168 0.000 1.449 394 I CB -0.224 37.526 38.000 -0.416 0.000 1.086 394 I HN 0.443 nan 8.210 nan 0.000 0.483 395 S N -1.518 113.905 115.700 -0.462 0.000 2.539 395 S HA 0.162 4.631 4.470 -0.001 0.000 0.221 395 S C 1.205 175.739 174.600 -0.109 0.000 0.987 395 S CA -0.386 57.694 58.200 -0.199 0.000 0.929 395 S CB -0.161 62.969 63.200 -0.117 0.000 0.832 395 S HN 0.571 nan 8.310 nan 0.000 0.492 396 N N 0.214 118.819 118.700 -0.157 0.000 2.217 396 N HA 0.228 4.967 4.740 -0.001 0.000 0.239 396 N C -1.266 174.355 175.510 0.185 0.000 1.330 396 N CA -0.202 52.865 53.050 0.028 0.000 0.838 396 N CB 0.426 38.926 38.487 0.021 0.000 1.287 396 N HN 0.127 nan 8.380 nan 0.000 0.498 397 F N 3.538 123.529 119.950 0.068 0.000 2.590 397 F HA 0.174 4.701 4.527 -0.001 0.000 0.389 397 F C -1.422 174.389 175.800 0.019 0.000 1.049 397 F CA -1.775 56.249 58.000 0.041 0.000 1.199 397 F CB -0.334 38.677 39.000 0.018 0.000 1.058 397 F HN 0.041 nan 8.300 nan 0.000 0.556 398 P HA -0.092 nan 4.420 nan 0.000 0.263 398 P C -0.445 176.612 177.300 -0.405 0.000 1.162 398 P CA 0.258 63.228 63.100 -0.217 0.000 0.758 398 P CB 0.425 32.026 31.700 -0.165 0.000 0.773 399 V N 4.047 123.427 119.914 -0.890 0.000 2.394 399 V HA 0.110 4.230 4.120 -0.001 0.000 0.282 399 V C 1.567 177.420 176.094 -0.401 0.000 1.031 399 V CA -0.199 61.812 62.300 -0.481 0.000 0.881 399 V CB 1.515 33.095 31.823 -0.405 0.000 0.982 399 V HN 0.529 nan 8.190 nan 0.000 0.451 400 V N 1.657 121.470 119.914 -0.170 0.000 3.565 400 V HA 0.719 4.839 4.120 -0.001 0.000 0.260 400 V C 0.656 176.729 176.094 -0.035 0.000 1.231 400 V CA 0.994 63.221 62.300 -0.123 0.000 1.100 400 V CB 0.190 31.940 31.823 -0.121 0.000 0.807 400 V HN 1.000 nan 8.190 nan 0.000 0.454 401 G N -0.844 107.983 108.800 0.046 0.000 2.616 401 G HA2 0.711 4.671 3.960 -0.001 0.000 0.294 401 G HA3 0.711 4.671 3.960 -0.001 0.000 0.294 401 G C -1.453 173.685 174.900 0.396 0.000 1.489 401 G CA -0.156 45.059 45.100 0.193 0.000 0.836 401 G HN 1.080 nan 8.290 nan 0.000 0.527 402 A N 0.816 123.959 122.820 0.539 0.000 2.385 402 A HA 0.823 5.143 4.320 -0.001 0.000 0.290 402 A C -0.433 177.434 177.584 0.471 0.000 1.094 402 A CA -0.435 51.922 52.037 0.533 0.000 0.729 402 A CB 1.636 20.962 19.000 0.543 0.000 1.194 402 A HN 0.670 nan 8.150 nan 0.000 0.442 403 E N 0.961 121.422 120.200 0.434 0.000 2.254 403 E HA 0.575 4.925 4.350 -0.001 0.000 0.261 403 E C -0.844 175.837 176.600 0.136 0.000 1.051 403 E CA -0.695 55.895 56.400 0.316 0.000 0.902 403 E CB 1.212 31.145 29.700 0.389 0.000 1.168 403 E HN 0.603 nan 8.360 nan 0.000 0.423 404 L N 3.013 124.293 121.223 0.094 0.000 2.305 404 L HA 0.282 4.622 4.340 -0.001 0.000 0.281 404 L C -0.890 175.997 176.870 0.028 0.000 1.085 404 L CA -0.264 54.596 54.840 0.034 0.000 0.813 404 L CB 0.956 43.030 42.059 0.024 0.000 1.157 404 L HN 0.547 nan 8.230 nan 0.000 0.436 405 L N 8.264 129.478 121.223 -0.014 0.000 2.628 405 L HA 0.248 4.587 4.340 -0.001 0.000 0.274 405 L C -1.958 174.921 176.870 0.016 0.000 1.209 405 L CA -0.459 54.373 54.840 -0.013 0.000 0.930 405 L CB -0.029 41.999 42.059 -0.051 0.000 1.183 405 L HN 0.553 nan 8.230 nan 0.000 0.492 406 P HA 0.164 nan 4.420 nan 0.000 0.244 406 P C -1.460 175.897 177.300 0.094 0.000 1.769 406 P CA -0.021 63.131 63.100 0.087 0.000 1.102 406 P CB 0.035 31.816 31.700 0.135 0.000 1.937 407 V N 1.186 121.149 119.914 0.081 0.000 2.711 407 V HA 0.602 4.721 4.120 -0.001 0.000 0.304 407 V C -0.485 175.694 176.094 0.143 0.000 1.097 407 V CA -0.764 61.593 62.300 0.095 0.000 0.906 407 V CB 1.962 33.794 31.823 0.014 0.000 1.015 407 V HN 0.585 nan 8.190 nan 0.000 0.427 408 H N 1.994 121.066 119.070 0.005 0.000 2.864 408 H HA 0.758 5.314 4.556 -0.001 0.000 0.354 408 H C -0.483 174.835 175.328 -0.016 0.000 1.208 408 H CA -0.169 55.872 56.048 -0.012 0.000 1.191 408 H CB 2.067 31.820 29.762 -0.014 0.000 1.889 408 H HN 0.866 nan 8.280 nan 0.000 0.574 409 S N 1.095 116.746 115.700 -0.083 0.000 2.452 409 S HA 0.276 4.745 4.470 -0.001 0.000 0.284 409 S C -0.202 174.166 174.600 -0.388 0.000 1.171 409 S CA -0.821 57.259 58.200 -0.200 0.000 1.064 409 S CB 0.391 63.535 63.200 -0.094 0.000 0.967 409 S HN 0.601 nan 8.310 nan 0.000 0.484 410 K N 3.380 123.513 120.400 -0.445 0.000 2.316 410 K HA 0.379 4.699 4.320 -0.001 0.000 0.267 410 K C -0.251 175.962 176.600 -0.644 0.000 1.025 410 K CA -0.393 55.584 56.287 -0.517 0.000 0.896 410 K CB 0.968 33.172 32.500 -0.493 0.000 1.124 410 K HN 0.813 nan 8.250 nan 0.000 0.451 411 S N 3.015 118.369 115.700 -0.577 0.000 2.585 411 S HA 0.591 5.061 4.470 -0.001 0.000 0.277 411 S C -0.366 173.795 174.600 -0.731 0.000 1.241 411 S CA -0.638 57.280 58.200 -0.471 0.000 1.041 411 S CB 0.480 63.551 63.200 -0.214 0.000 0.987 411 S HN 0.361 nan 8.310 nan 0.000 0.512 412 F N -0.191 119.767 119.950 0.013 0.000 2.664 412 F HA 0.569 5.095 4.527 -0.001 0.000 0.329 412 F C -0.590 175.294 175.800 0.140 0.000 1.090 412 F CA -1.232 56.797 58.000 0.048 0.000 0.978 412 F CB 1.128 40.137 39.000 0.015 0.000 1.378 412 F HN 0.586 nan 8.300 nan 0.000 0.495 413 Y N 1.215 121.627 120.300 0.186 0.000 2.446 413 Y HA 0.520 5.070 4.550 -0.001 0.000 0.338 413 Y C -0.795 175.152 175.900 0.078 0.000 1.055 413 Y CA -1.276 56.879 58.100 0.091 0.000 1.101 413 Y CB 1.860 40.349 38.460 0.048 0.000 1.221 413 Y HN 0.616 nan 8.280 nan 0.000 0.460 414 N N 2.723 121.335 118.700 -0.147 0.000 2.697 414 N HA 0.137 4.877 4.740 -0.001 0.000 0.271 414 N C -1.087 174.243 175.510 -0.299 0.000 1.149 414 N CA -0.223 52.743 53.050 -0.139 0.000 0.939 414 N CB 0.912 39.354 38.487 -0.075 0.000 1.534 414 N HN 0.591 nan 8.380 nan 0.000 0.556 415 D N 1.670 121.952 120.400 -0.196 0.000 2.349 415 D HA 0.031 4.671 4.640 -0.001 0.000 0.215 415 D C 0.486 176.732 176.300 -0.090 0.000 1.016 415 D CA 0.601 54.494 54.000 -0.178 0.000 0.870 415 D CB 0.494 41.250 40.800 -0.074 0.000 0.917 415 D HN 0.656 nan 8.370 nan 0.000 0.524 416 Q N -0.235 119.577 119.800 0.019 0.000 2.491 416 Q HA 0.056 4.396 4.340 -0.001 0.000 0.214 416 Q C 1.619 177.611 176.000 -0.013 0.000 0.970 416 Q CA 0.020 55.907 55.803 0.141 0.000 0.960 416 Q CB 0.267 29.097 28.738 0.153 0.000 0.996 416 Q HN 0.177 nan 8.270 nan 0.000 0.524 417 A N -0.157 122.589 122.820 -0.123 0.000 2.014 417 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 417 A C 2.114 179.578 177.584 -0.200 0.000 1.163 417 A CA 0.792 52.740 52.037 -0.148 0.000 0.652 417 A CB -0.111 18.781 19.000 -0.180 0.000 0.808 417 A HN 0.238 nan 8.150 nan 0.000 0.449 418 V N -1.388 118.321 119.914 -0.342 0.000 2.307 418 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 418 V C 1.683 177.490 176.094 -0.478 0.000 1.045 418 V CA 1.496 63.495 62.300 -0.502 0.000 1.024 418 V CB -1.059 30.290 31.823 -0.789 0.000 0.651 418 V HN 0.727 nan 8.190 nan 0.000 0.449 419 Y N 0.610 120.890 120.300 -0.034 0.000 2.596 419 Y HA 0.161 4.710 4.550 -0.001 0.000 0.316 419 Y C 2.281 178.169 175.900 -0.020 0.000 1.156 419 Y CA 0.259 58.345 58.100 -0.024 0.000 1.300 419 Y CB -0.799 37.642 38.460 -0.031 0.000 1.130 419 Y HN 0.279 nan 8.280 nan 0.000 0.518 420 S N -0.695 115.015 115.700 0.017 0.000 2.399 420 S HA -0.259 4.210 4.470 -0.001 0.000 0.231 420 S C 1.729 176.359 174.600 0.049 0.000 1.022 420 S CA 1.100 59.311 58.200 0.018 0.000 0.983 420 S CB -0.209 62.974 63.200 -0.029 0.000 0.803 420 S HN 0.593 nan 8.310 nan 0.000 0.480 421 Q N 0.956 120.784 119.800 0.047 0.000 2.084 421 Q HA 0.046 4.386 4.340 -0.001 0.000 0.202 421 Q C 1.903 177.966 176.000 0.105 0.000 0.978 421 Q CA 1.376 57.221 55.803 0.070 0.000 0.844 421 Q CB -0.474 28.296 28.738 0.054 0.000 0.898 421 Q HN 0.595 nan 8.270 nan 0.000 0.426 422 L N 0.494 121.794 121.223 0.128 0.000 2.650 422 L HA 0.002 4.341 4.340 -0.001 0.000 0.235 422 L C 1.776 178.708 176.870 0.104 0.000 1.149 422 L CA -0.067 54.848 54.840 0.125 0.000 0.887 422 L CB -0.216 41.920 42.059 0.129 0.000 1.021 422 L HN 0.218 nan 8.230 nan 0.000 0.441 423 I N -0.291 120.341 120.570 0.104 0.000 2.188 423 I HA -0.178 3.992 4.170 -0.001 0.000 0.237 423 I C 2.561 178.757 176.117 0.132 0.000 1.073 423 I CA 0.838 62.196 61.300 0.098 0.000 1.359 423 I CB -0.187 37.859 38.000 0.075 0.000 1.083 423 I HN 0.289 nan 8.210 nan 0.000 0.412 424 R N 0.963 121.548 120.500 0.142 0.000 2.096 424 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 424 R C 2.018 178.421 176.300 0.171 0.000 1.127 424 R CA 1.312 57.511 56.100 0.165 0.000 0.968 424 R CB -0.972 29.447 30.300 0.197 0.000 0.861 424 R HN 0.558 nan 8.270 nan 0.000 0.440 425 Q N -0.722 119.190 119.800 0.187 0.000 2.170 425 Q HA -0.075 4.265 4.340 -0.001 0.000 0.203 425 Q C 1.156 177.303 176.000 0.245 0.000 0.976 425 Q CA 1.246 57.169 55.803 0.200 0.000 0.858 425 Q CB 0.023 28.878 28.738 0.195 0.000 0.907 425 Q HN 0.256 nan 8.270 nan 0.000 0.433 426 F N -1.105 118.869 119.950 0.040 0.000 2.682 426 F HA 0.104 4.630 4.527 -0.001 0.000 0.308 426 F C 1.878 177.688 175.800 0.018 0.000 1.093 426 F CA 0.084 58.097 58.000 0.022 0.000 1.244 426 F CB 0.707 39.717 39.000 0.016 0.000 1.052 426 F HN -0.093 nan 8.300 nan 0.000 0.573 427 T N -1.307 113.366 114.554 0.199 0.000 2.614 427 T HA -0.156 4.194 4.350 -0.001 0.000 0.263 427 T C 1.713 176.453 174.700 0.066 0.000 1.055 427 T CA 2.052 64.228 62.100 0.125 0.000 1.162 427 T CB -0.191 68.747 68.868 0.116 0.000 0.863 427 T HN 0.156 nan 8.240 nan 0.000 0.414 428 S N -1.737 113.981 115.700 0.029 0.000 2.583 428 S HA 0.216 4.686 4.470 -0.001 0.000 0.264 428 S C 0.242 174.791 174.600 -0.086 0.000 1.008 428 S CA -0.161 58.022 58.200 -0.029 0.000 1.435 428 S CB -0.117 63.068 63.200 -0.025 0.000 1.236 428 S HN 0.320 nan 8.310 nan 0.000 0.669 429 L N 2.190 123.366 121.223 -0.078 0.000 3.976 429 L HA -0.224 4.115 4.340 -0.001 0.000 0.418 429 L C 1.113 177.700 176.870 -0.472 0.000 1.177 429 L CA 1.752 56.479 54.840 -0.188 0.000 0.968 429 L CB -1.954 40.015 42.059 -0.150 0.000 1.933 429 L HN 0.595 nan 8.230 nan 0.000 0.976 430 T N -4.651 109.721 114.554 -0.304 0.000 2.937 430 T HA 0.020 4.370 4.350 -0.001 0.000 0.260 430 T C 0.978 175.534 174.700 -0.240 0.000 1.051 430 T CA 0.603 62.537 62.100 -0.277 0.000 1.141 430 T CB -0.306 68.467 68.868 -0.159 0.000 0.879 430 T HN 0.612 nan 8.240 nan 0.000 0.459 431 H N 0.210 119.246 119.070 -0.056 0.000 2.741 431 H HA -0.111 4.444 4.556 -0.001 0.000 0.305 431 H C 1.188 176.433 175.328 -0.138 0.000 1.169 431 H CA 0.522 56.535 56.048 -0.059 0.000 1.144 431 H CB -2.524 27.211 29.762 -0.045 0.000 1.397 431 H HN 0.366 nan 8.280 nan 0.000 0.409 432 V N -0.760 119.067 119.914 -0.145 0.000 2.427 432 V HA -0.172 3.948 4.120 -0.001 0.000 0.248 432 V C 1.859 177.731 176.094 -0.370 0.000 1.051 432 V CA 2.023 64.124 62.300 -0.330 0.000 1.048 432 V CB -0.461 31.052 31.823 -0.516 0.000 0.666 432 V HN 0.315 nan 8.190 nan 0.000 0.456 433 F N 0.980 120.938 119.950 0.013 0.000 2.873 433 F HA 0.362 4.889 4.527 -0.001 0.000 0.289 433 F C 0.851 176.641 175.800 -0.016 0.000 1.206 433 F CA 0.011 58.014 58.000 0.005 0.000 1.401 433 F CB -0.195 38.818 39.000 0.021 0.000 0.996 433 F HN 0.185 nan 8.300 nan 0.000 0.511 434 N N 0.387 119.098 118.700 0.018 0.000 2.776 434 N HA 0.013 4.753 4.740 -0.001 0.000 0.215 434 N C 0.734 176.127 175.510 -0.195 0.000 1.347 434 N CA -0.031 52.997 53.050 -0.038 0.000 1.323 434 N CB 0.052 38.562 38.487 0.038 0.000 1.547 434 N HN -0.046 nan 8.380 nan 0.000 0.582 435 R N -0.344 119.868 120.500 -0.481 0.000 2.235 435 R HA 0.170 4.509 4.340 -0.001 0.000 0.213 435 R C -0.254 175.581 176.300 -0.775 0.000 1.059 435 R CA 0.891 56.538 56.100 -0.755 0.000 0.997 435 R CB 0.007 29.650 30.300 -1.094 0.000 0.884 435 R HN 0.303 nan 8.270 nan 0.000 0.462 436 F N 0.216 120.186 119.950 0.033 0.000 2.597 436 F HA 0.296 4.823 4.527 -0.001 0.000 0.336 436 F C -1.559 174.256 175.800 0.025 0.000 1.432 436 F CA -1.854 56.165 58.000 0.032 0.000 1.120 436 F CB 1.238 40.260 39.000 0.036 0.000 1.253 436 F HN -0.140 nan 8.300 nan 0.000 0.546 437 P HA -0.206 nan 4.420 nan 0.000 0.220 437 P C 1.291 178.633 177.300 0.069 0.000 1.148 437 P CA 1.513 64.623 63.100 0.017 0.000 0.803 437 P CB 0.283 31.916 31.700 -0.111 0.000 0.782 438 E N -0.141 120.117 120.200 0.097 0.000 2.076 438 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 438 E C 0.894 177.591 176.600 0.161 0.000 0.979 438 E CA 0.441 56.906 56.400 0.108 0.000 0.807 438 E CB -1.326 28.430 29.700 0.094 0.000 0.761 438 E HN 0.168 nan 8.360 nan 0.000 0.454 439 N N 1.747 120.572 118.700 0.209 0.000 2.475 439 N HA -0.059 4.681 4.740 -0.001 0.000 0.267 439 N C 0.281 175.942 175.510 0.251 0.000 1.169 439 N CA 0.089 53.302 53.050 0.271 0.000 0.947 439 N CB 0.862 39.498 38.487 0.249 0.000 1.061 439 N HN 0.110 nan 8.380 nan 0.000 0.466 440 Q N 3.359 123.344 119.800 0.309 0.000 2.373 440 Q HA 0.065 4.405 4.340 -0.001 0.000 0.206 440 Q C 0.550 176.731 176.000 0.302 0.000 0.942 440 Q CA 0.249 56.239 55.803 0.311 0.000 0.953 440 Q CB 0.316 29.271 28.738 0.362 0.000 1.022 440 Q HN 0.686 nan 8.270 nan 0.000 0.502 441 I N -1.514 119.114 120.570 0.098 0.000 3.534 441 I HA -0.095 4.074 4.170 -0.001 0.000 0.251 441 I C 1.105 177.184 176.117 -0.064 0.000 1.136 441 I CA 0.228 61.477 61.300 -0.085 0.000 1.475 441 I CB 0.074 37.806 38.000 -0.448 0.000 1.526 441 I HN 0.017 nan 8.210 nan 0.000 0.454 442 L N 1.557 122.749 121.223 -0.052 0.000 2.610 442 L HA 0.233 4.572 4.340 -0.001 0.000 0.232 442 L C 1.312 178.320 176.870 0.230 0.000 1.149 442 L CA 0.122 54.990 54.840 0.046 0.000 0.872 442 L CB -2.390 39.658 42.059 -0.018 0.000 0.992 442 L HN 0.150 nan 8.230 nan 0.000 0.447 443 A N 1.084 124.011 122.820 0.177 0.000 2.504 443 A HA 0.044 4.364 4.320 -0.001 0.000 0.242 443 A C 0.780 178.436 177.584 0.120 0.000 1.100 443 A CA -0.277 51.855 52.037 0.159 0.000 0.786 443 A CB -0.080 19.003 19.000 0.139 0.000 1.050 443 A HN 0.546 nan 8.150 nan 0.000 0.512 444 R N 0.988 121.541 120.500 0.088 0.000 2.488 444 R HA 0.200 4.540 4.340 -0.001 0.000 0.317 444 R C -2.564 173.769 176.300 0.055 0.000 0.941 444 R CA -0.877 55.267 56.100 0.074 0.000 1.076 444 R CB -0.720 29.618 30.300 0.063 0.000 0.917 444 R HN 0.428 nan 8.270 nan 0.000 0.407 445 P HA 0.119 nan 4.420 nan 0.000 0.271 445 P C -2.299 174.990 177.300 -0.019 0.000 1.218 445 P CA -1.374 61.733 63.100 0.012 0.000 0.780 445 P CB 0.235 31.945 31.700 0.017 0.000 0.901 446 P HA 0.178 nan 4.420 nan 0.000 0.272 446 P C -0.612 176.633 177.300 -0.093 0.000 1.240 446 P CA -0.199 62.855 63.100 -0.076 0.000 0.791 446 P CB 0.502 32.142 31.700 -0.101 0.000 0.978 447 A N 2.048 124.806 122.820 -0.104 0.000 2.295 447 A HA 0.669 4.988 4.320 -0.001 0.000 0.318 447 A C -2.192 175.308 177.584 -0.140 0.000 1.134 447 A CA -1.645 50.325 52.037 -0.111 0.000 0.827 447 A CB -0.329 18.613 19.000 -0.097 0.000 1.136 447 A HN 0.424 nan 8.150 nan 0.000 0.493 448 P HA 0.203 nan 4.420 nan 0.000 0.278 448 P C 0.745 177.971 177.300 -0.124 0.000 1.258 448 P CA -0.052 62.981 63.100 -0.112 0.000 0.811 448 P CB 0.740 32.431 31.700 -0.016 0.000 1.063 449 T N -1.424 113.048 114.554 -0.137 0.000 2.867 449 T HA -0.024 4.326 4.350 -0.001 0.000 0.268 449 T C 1.048 175.565 174.700 -0.305 0.000 1.057 449 T CA 0.904 62.794 62.100 -0.351 0.000 1.136 449 T CB -0.813 67.830 68.868 -0.376 0.000 0.874 449 T HN 0.467 nan 8.240 nan 0.000 0.466 450 I N 1.533 122.095 120.570 -0.013 0.000 2.405 450 I HA 0.465 4.634 4.170 -0.001 0.000 0.280 450 I C -0.908 175.251 176.117 0.070 0.000 1.027 450 I CA -0.949 60.412 61.300 0.103 0.000 1.161 450 I CB 1.512 39.586 38.000 0.124 0.000 1.300 450 I HN -0.219 nan 8.210 nan 0.000 0.463 451 T N 3.441 118.055 114.554 0.099 0.000 2.799 451 T HA 0.477 4.826 4.350 -0.001 0.000 0.286 451 T C 0.427 175.207 174.700 0.134 0.000 0.973 451 T CA -0.549 61.606 62.100 0.091 0.000 1.035 451 T CB 1.327 70.240 68.868 0.075 0.000 0.932 451 T HN 0.760 nan 8.240 nan 0.000 0.469 452 T N 0.067 114.652 114.554 0.051 0.000 2.859 452 T HA 0.696 5.045 4.350 -0.001 0.000 0.281 452 T C -0.614 174.101 174.700 0.024 0.000 1.005 452 T CA -0.673 61.430 62.100 0.005 0.000 1.025 452 T CB 1.030 69.865 68.868 -0.055 0.000 0.977 452 T HN 0.328 nan 8.240 nan 0.000 0.458 453 V N 3.809 123.740 119.914 0.028 0.000 2.531 453 V HA 0.481 4.601 4.120 -0.001 0.000 0.301 453 V C 0.394 176.485 176.094 -0.005 0.000 1.034 453 V CA -0.977 61.331 62.300 0.013 0.000 0.865 453 V CB 2.180 34.027 31.823 0.040 0.000 0.995 453 V HN 1.179 nan 8.190 nan 0.000 0.424 454 S N 3.412 119.147 115.700 0.059 0.000 2.519 454 S HA 0.171 4.640 4.470 -0.001 0.000 0.320 454 S C -0.132 174.534 174.600 0.110 0.000 1.179 454 S CA -0.179 58.063 58.200 0.069 0.000 1.173 454 S CB -0.065 63.189 63.200 0.090 0.000 1.224 454 S HN 0.815 nan 8.310 nan 0.000 0.542 455 E N 3.681 123.886 120.200 0.008 0.000 2.146 455 E HA 0.139 4.489 4.350 -0.001 0.000 0.282 455 E C -0.369 176.289 176.600 0.096 0.000 0.989 455 E CA -0.655 55.773 56.400 0.048 0.000 0.799 455 E CB 0.515 30.200 29.700 -0.026 0.000 1.088 455 E HN 0.658 nan 8.360 nan 0.000 0.397 456 N N 2.531 121.305 118.700 0.124 0.000 2.492 456 N HA 0.122 4.861 4.740 -0.001 0.000 0.260 456 N C -0.966 174.687 175.510 0.238 0.000 1.215 456 N CA 0.182 53.318 53.050 0.143 0.000 0.923 456 N CB 1.672 40.196 38.487 0.062 0.000 1.092 456 N HN 0.235 nan 8.380 nan 0.000 0.448 457 V N 3.599 123.675 119.914 0.272 0.000 3.012 457 V HA 0.384 4.504 4.120 -0.001 0.000 0.307 457 V C -2.416 173.801 176.094 0.205 0.000 1.166 457 V CA -1.904 60.537 62.300 0.236 0.000 0.974 457 V CB 2.595 34.539 31.823 0.203 0.000 1.040 457 V HN 0.521 nan 8.190 nan 0.000 0.428 458 P HA 0.289 nan 4.420 nan 0.000 0.267 458 P C -0.960 176.368 177.300 0.046 0.000 1.209 458 P CA 0.122 63.200 63.100 -0.037 0.000 0.763 458 P CB 0.914 32.517 31.700 -0.162 0.000 0.816 459 A N 4.839 127.719 122.820 0.100 0.000 2.288 459 A HA 0.585 4.905 4.320 -0.001 0.000 0.320 459 A C -0.416 177.240 177.584 0.120 0.000 1.217 459 A CA -0.485 51.616 52.037 0.106 0.000 0.840 459 A CB 0.248 19.334 19.000 0.143 0.000 1.179 459 A HN 0.464 nan 8.150 nan 0.000 0.504 460 L N 1.105 122.376 121.223 0.080 0.000 2.490 460 L HA 0.647 4.986 4.340 -0.001 0.000 0.256 460 L C -0.541 176.354 176.870 0.041 0.000 1.089 460 L CA -0.927 53.955 54.840 0.069 0.000 0.916 460 L CB -0.295 41.788 42.059 0.041 0.000 1.188 460 L HN 0.323 nan 8.230 nan 0.000 0.476 461 T N -0.579 114.005 114.554 0.050 0.000 2.876 461 T HA 0.438 4.787 4.350 -0.001 0.000 0.289 461 T C -0.764 173.861 174.700 -0.125 0.000 1.014 461 T CA -0.405 61.669 62.100 -0.043 0.000 0.986 461 T CB 2.349 71.177 68.868 -0.067 0.000 1.021 461 T HN 0.523 nan 8.240 nan 0.000 0.458 462 D N 0.006 120.320 120.400 -0.143 0.000 2.336 462 D HA 0.190 4.830 4.640 -0.001 0.000 0.249 462 D C 0.582 176.737 176.300 -0.242 0.000 1.213 462 D CA -0.148 53.776 54.000 -0.127 0.000 0.870 462 D CB 0.493 41.255 40.800 -0.064 0.000 1.076 462 D HN 0.570 nan 8.370 nan 0.000 0.483 463 H N 2.760 121.808 119.070 -0.036 0.000 2.551 463 H HA 0.283 4.839 4.556 -0.001 0.000 0.266 463 H C 1.355 176.673 175.328 -0.017 0.000 0.977 463 H CA 0.796 56.830 56.048 -0.023 0.000 1.163 463 H CB 0.386 30.105 29.762 -0.072 0.000 1.381 463 H HN 0.650 nan 8.280 nan 0.000 0.581 464 G N -0.321 108.494 108.800 0.025 0.000 2.548 464 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.208 464 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.208 464 G C -0.524 174.390 174.900 0.023 0.000 1.308 464 G CA -0.403 44.709 45.100 0.019 0.000 0.924 464 G HN 0.221 nan 8.290 nan 0.000 0.540 465 T N 1.249 115.816 114.554 0.021 0.000 2.756 465 T HA 0.637 4.987 4.350 -0.001 0.000 0.290 465 T C 0.303 175.018 174.700 0.025 0.000 0.985 465 T CA -0.216 61.897 62.100 0.022 0.000 0.955 465 T CB 0.996 69.879 68.868 0.024 0.000 0.930 465 T HN 0.622 nan 8.240 nan 0.000 0.451 466 L N 4.794 126.029 121.223 0.020 0.000 2.330 466 L HA 0.556 4.896 4.340 -0.001 0.000 0.271 466 L C -2.138 174.752 176.870 0.033 0.000 1.013 466 L CA -2.805 52.045 54.840 0.016 0.000 0.816 466 L CB 1.361 43.415 42.059 -0.009 0.000 1.287 466 L HN 0.314 nan 8.230 nan 0.000 0.435 467 P HA 0.136 nan 4.420 nan 0.000 0.269 467 P C -1.101 176.239 177.300 0.066 0.000 1.209 467 P CA -0.233 62.911 63.100 0.073 0.000 0.776 467 P CB 1.057 32.798 31.700 0.069 0.000 0.876 468 L N 2.410 123.697 121.223 0.107 0.000 2.385 468 L HA 0.433 4.773 4.340 -0.001 0.000 0.273 468 L C 0.379 177.295 176.870 0.077 0.000 0.990 468 L CA -0.962 53.921 54.840 0.071 0.000 0.821 468 L CB 1.532 43.636 42.059 0.076 0.000 1.279 468 L HN 0.321 nan 8.230 nan 0.000 0.412 469 R N 2.141 122.654 120.500 0.022 0.000 2.543 469 R HA 0.142 4.482 4.340 -0.001 0.000 0.277 469 R C -0.059 176.226 176.300 -0.025 0.000 1.074 469 R CA -0.077 56.029 56.100 0.011 0.000 1.076 469 R CB 0.606 30.898 30.300 -0.013 0.000 0.993 469 R HN 0.683 nan 8.270 nan 0.000 0.459 470 N N 0.601 119.288 118.700 -0.021 0.000 2.314 470 N HA 0.008 4.748 4.740 -0.001 0.000 0.200 470 N C -1.148 174.310 175.510 -0.086 0.000 1.135 470 N CA 0.006 53.018 53.050 -0.063 0.000 0.835 470 N CB 0.916 39.406 38.487 0.006 0.000 0.989 470 N HN 0.471 nan 8.380 nan 0.000 0.478 471 S N 0.041 115.699 115.700 -0.071 0.000 2.571 471 S HA 0.435 4.905 4.470 -0.001 0.000 0.238 471 S C -0.666 173.895 174.600 -0.065 0.000 1.153 471 S CA -0.858 57.302 58.200 -0.067 0.000 1.141 471 S CB 0.077 63.249 63.200 -0.048 0.000 1.133 471 S HN 0.081 nan 8.310 nan 0.000 0.464 472 I N 2.499 123.024 120.570 -0.074 0.000 2.328 472 I HA 0.482 4.652 4.170 -0.001 0.000 0.287 472 I C 1.071 177.157 176.117 -0.052 0.000 1.012 472 I CA -0.771 60.487 61.300 -0.069 0.000 1.195 472 I CB 0.977 38.925 38.000 -0.086 0.000 1.350 472 I HN 0.787 nan 8.210 nan 0.000 0.464 473 G N 3.649 112.420 108.800 -0.049 0.000 2.484 473 G HA2 0.199 4.159 3.960 -0.001 0.000 0.235 473 G HA3 0.199 4.159 3.960 -0.001 0.000 0.235 473 G C 0.965 175.847 174.900 -0.031 0.000 1.282 473 G CA -0.331 44.746 45.100 -0.039 0.000 0.857 473 G HN 0.917 nan 8.290 nan 0.000 0.571 474 G N -0.665 108.123 108.800 -0.019 0.000 3.234 474 G HA2 0.321 4.280 3.960 -0.001 0.000 0.221 474 G HA3 0.321 4.280 3.960 -0.001 0.000 0.221 474 G C 0.332 175.229 174.900 -0.005 0.000 1.229 474 G CA 0.685 45.781 45.100 -0.008 0.000 0.909 474 G HN 1.346 nan 8.290 nan 0.000 0.510 475 V N -2.787 117.117 119.914 -0.016 0.000 2.666 475 V HA 0.349 4.469 4.120 -0.001 0.000 0.261 475 V C -0.648 175.425 176.094 -0.035 0.000 0.892 475 V CA -1.266 61.026 62.300 -0.012 0.000 0.937 475 V CB 0.324 32.144 31.823 -0.005 0.000 1.063 475 V HN 0.009 nan 8.190 nan 0.000 0.494 476 Q N 2.141 121.912 119.800 -0.049 0.000 2.306 476 Q HA 0.483 4.823 4.340 -0.001 0.000 0.241 476 Q C -0.127 175.797 176.000 -0.126 0.000 0.948 476 Q CA -0.127 55.622 55.803 -0.091 0.000 0.886 476 Q CB 2.409 31.090 28.738 -0.095 0.000 1.227 476 Q HN 0.809 nan 8.270 nan 0.000 0.457 477 R N 0.796 121.195 120.500 -0.168 0.000 2.295 477 R HA 0.492 4.831 4.340 -0.001 0.000 0.324 477 R C -1.302 174.838 176.300 -0.266 0.000 0.968 477 R CA -0.366 55.613 56.100 -0.202 0.000 0.837 477 R CB 0.879 31.076 30.300 -0.172 0.000 1.133 477 R HN 0.327 nan 8.270 nan 0.000 0.450 478 V N 3.757 123.419 119.914 -0.420 0.000 2.459 478 V HA 0.485 4.604 4.120 -0.001 0.000 0.295 478 V C -0.416 175.568 176.094 -0.184 0.000 1.029 478 V CA -0.513 61.553 62.300 -0.390 0.000 0.874 478 V CB 2.003 33.329 31.823 -0.829 0.000 0.985 478 V HN 0.860 nan 8.190 nan 0.000 0.438 479 T N 5.970 120.545 114.554 0.036 0.000 3.050 479 T HA 0.449 4.799 4.350 -0.001 0.000 0.310 479 T C -0.584 174.153 174.700 0.062 0.000 0.978 479 T CA -0.273 61.891 62.100 0.107 0.000 1.013 479 T CB 0.731 69.732 68.868 0.222 0.000 1.000 479 T HN 0.440 nan 8.240 nan 0.000 0.447 480 I N 3.584 124.126 120.570 -0.046 0.000 2.282 480 I HA 0.312 4.482 4.170 -0.001 0.000 0.290 480 I C 0.942 177.020 176.117 -0.065 0.000 1.090 480 I CA -0.766 60.399 61.300 -0.225 0.000 1.231 480 I CB -0.780 36.944 38.000 -0.460 0.000 1.434 480 I HN 0.510 nan 8.210 nan 0.000 0.487 481 T N 2.692 117.263 114.554 0.028 0.000 2.847 481 T HA 0.408 4.758 4.350 -0.001 0.000 0.279 481 T C 0.159 174.910 174.700 0.084 0.000 0.984 481 T CA -0.736 61.428 62.100 0.106 0.000 0.988 481 T CB 1.975 70.975 68.868 0.219 0.000 1.040 481 T HN 0.652 nan 8.240 nan 0.000 0.528 482 D N -0.406 120.060 120.400 0.110 0.000 2.595 482 D HA 0.366 5.006 4.640 -0.001 0.000 0.268 482 D C 1.254 177.556 176.300 0.003 0.000 1.181 482 D CA -0.742 53.277 54.000 0.031 0.000 1.085 482 D CB 0.942 41.856 40.800 0.190 0.000 1.186 482 D HN 0.570 nan 8.370 nan 0.000 0.621 483 A N -0.763 122.010 122.820 -0.079 0.000 2.248 483 A HA -0.057 4.263 4.320 -0.001 0.000 0.210 483 A C 1.567 179.259 177.584 0.180 0.000 1.174 483 A CA 0.624 52.654 52.037 -0.011 0.000 0.750 483 A CB -0.474 18.488 19.000 -0.064 0.000 0.780 483 A HN 0.422 nan 8.150 nan 0.000 0.478 484 R N -1.098 119.525 120.500 0.205 0.000 2.662 484 R HA 0.221 4.561 4.340 -0.001 0.000 0.396 484 R C -0.406 176.018 176.300 0.207 0.000 1.096 484 R CA -0.403 55.827 56.100 0.217 0.000 1.081 484 R CB 0.131 30.571 30.300 0.233 0.000 1.382 484 R HN 0.434 nan 8.270 nan 0.000 0.580 485 R N 1.707 122.352 120.500 0.243 0.000 3.184 485 R HA -0.202 4.138 4.340 -0.001 0.000 0.242 485 R C -0.573 175.783 176.300 0.094 0.000 0.907 485 R CA 0.941 57.158 56.100 0.196 0.000 0.618 485 R CB -0.734 29.669 30.300 0.173 0.000 1.016 485 R HN 0.145 nan 8.270 nan 0.000 0.469 486 R N -0.433 120.115 120.500 0.079 0.000 2.803 486 R HA 0.284 4.624 4.340 -0.001 0.000 0.276 486 R C 0.335 176.575 176.300 -0.100 0.000 0.978 486 R CA -0.507 55.559 56.100 -0.057 0.000 0.939 486 R CB 1.482 31.684 30.300 -0.165 0.000 1.179 486 R HN 0.211 nan 8.270 nan 0.000 0.472 487 T N -1.639 112.822 114.554 -0.154 0.000 2.930 487 T HA 0.043 4.393 4.350 -0.001 0.000 0.306 487 T C 0.309 174.902 174.700 -0.178 0.000 1.045 487 T CA -0.398 61.632 62.100 -0.116 0.000 1.134 487 T CB 0.465 69.281 68.868 -0.086 0.000 0.961 487 T HN 0.584 nan 8.240 nan 0.000 0.545 488 C N 7.272 126.531 119.300 -0.068 0.000 2.265 488 C HA 0.612 5.072 4.460 -0.001 0.000 0.332 488 C C -1.937 173.025 174.990 -0.045 0.000 1.248 488 C CA -1.836 57.182 59.018 0.000 0.000 1.727 488 C CB 0.152 27.948 27.740 0.093 0.000 2.348 488 C HN 0.811 nan 8.230 nan 0.000 0.519 489 P HA 0.220 nan 4.420 nan 0.000 0.243 489 P C -0.508 176.436 177.300 -0.593 0.000 1.672 489 P CA 0.381 63.283 63.100 -0.329 0.000 1.000 489 P CB -0.411 31.056 31.700 -0.389 0.000 1.562 490 Y N -1.742 118.492 120.300 -0.109 0.000 2.500 490 Y HA 0.159 4.708 4.550 -0.001 0.000 0.246 490 Y C 0.836 176.656 175.900 -0.133 0.000 1.146 490 Y CA -0.216 57.794 58.100 -0.150 0.000 1.230 490 Y CB 0.831 39.225 38.460 -0.110 0.000 1.214 490 Y HN -0.298 nan 8.280 nan 0.000 0.526 491 V N 1.686 121.609 119.914 0.014 0.000 2.370 491 V HA -0.051 4.069 4.120 -0.001 0.000 0.257 491 V C 0.679 176.789 176.094 0.028 0.000 1.064 491 V CA 0.379 62.705 62.300 0.044 0.000 0.975 491 V CB -0.420 31.439 31.823 0.060 0.000 1.067 491 V HN 0.494 nan 8.190 nan 0.000 0.485 492 Y N 2.878 123.068 120.300 -0.184 0.000 2.397 492 Y HA 0.125 4.674 4.550 -0.001 0.000 0.292 492 Y C 1.522 176.963 175.900 -0.764 0.000 1.115 492 Y CA 0.140 57.986 58.100 -0.425 0.000 1.208 492 Y CB 0.763 39.084 38.460 -0.231 0.000 1.046 492 Y HN 0.420 nan 8.280 nan 0.000 0.552 493 K N 0.898 121.215 120.400 -0.138 0.000 2.579 493 K HA 0.540 4.860 4.320 -0.001 0.000 0.250 493 K C -1.571 175.117 176.600 0.145 0.000 0.952 493 K CA -0.434 55.815 56.287 -0.064 0.000 0.857 493 K CB 1.246 33.759 32.500 0.022 0.000 1.123 493 K HN 0.033 nan 8.250 nan 0.000 0.433 494 A N 3.888 126.859 122.820 0.252 0.000 2.355 494 A HA 0.884 5.204 4.320 -0.001 0.000 0.324 494 A C -1.652 176.212 177.584 0.467 0.000 1.117 494 A CA -0.634 51.673 52.037 0.450 0.000 0.785 494 A CB 0.984 20.337 19.000 0.587 0.000 1.254 494 A HN 0.597 nan 8.150 nan 0.000 0.453 495 L N 0.481 121.974 121.223 0.450 0.000 2.469 495 L HA 0.854 5.193 4.340 -0.001 0.000 0.256 495 L C -0.075 176.892 176.870 0.163 0.000 1.006 495 L CA 0.187 55.202 54.840 0.291 0.000 0.832 495 L CB 2.381 44.553 42.059 0.187 0.000 1.421 495 L HN 1.059 nan 8.230 nan 0.000 0.410 496 G N 2.835 111.703 108.800 0.114 0.000 2.741 496 G HA2 0.633 4.593 3.960 -0.001 0.000 0.293 496 G HA3 0.633 4.593 3.960 -0.001 0.000 0.293 496 G C -1.677 173.269 174.900 0.077 0.000 1.457 496 G CA -0.265 44.839 45.100 0.007 0.000 1.098 496 G HN 0.453 nan 8.290 nan 0.000 0.536 497 I N 2.567 123.159 120.570 0.037 0.000 2.382 497 I HA 0.358 4.528 4.170 -0.001 0.000 0.286 497 I C -0.442 175.649 176.117 -0.042 0.000 1.002 497 I CA -1.013 60.325 61.300 0.062 0.000 1.135 497 I CB 2.065 40.128 38.000 0.106 0.000 1.288 497 I HN 0.103 nan 8.210 nan 0.000 0.448 498 V N 4.239 124.098 119.914 -0.091 0.000 2.513 498 V HA 0.431 4.550 4.120 -0.001 0.000 0.299 498 V C 0.079 176.089 176.094 -0.139 0.000 1.035 498 V CA -0.539 61.696 62.300 -0.109 0.000 0.889 498 V CB 1.717 33.474 31.823 -0.110 0.000 0.988 498 V HN 0.744 nan 8.190 nan 0.000 0.440 499 S N 5.508 121.153 115.700 -0.091 0.000 2.406 499 S HA 0.398 4.867 4.470 -0.001 0.000 0.224 499 S C -2.622 171.962 174.600 -0.026 0.000 1.426 499 S CA -0.981 57.173 58.200 -0.077 0.000 1.179 499 S CB 0.925 64.093 63.200 -0.053 0.000 1.042 499 S HN 0.640 nan 8.310 nan 0.000 0.479 500 P HA 0.285 nan 4.420 nan 0.000 0.271 500 P C -0.504 176.920 177.300 0.206 0.000 1.216 500 P CA -0.301 62.820 63.100 0.035 0.000 0.776 500 P CB 0.549 32.161 31.700 -0.147 0.000 0.881 501 R N 0.457 121.211 120.500 0.424 0.000 2.663 501 R HA 0.565 4.905 4.340 -0.001 0.000 0.267 501 R C -0.519 175.931 176.300 0.250 0.000 1.038 501 R CA -1.213 55.129 56.100 0.403 0.000 0.886 501 R CB 0.504 30.902 30.300 0.165 0.000 1.249 501 R HN 0.185 nan 8.270 nan 0.000 0.463 502 V N 0.124 119.954 119.914 -0.140 0.000 3.051 502 V HA 0.218 4.337 4.120 -0.001 0.000 0.306 502 V C 0.304 176.262 176.094 -0.225 0.000 1.083 502 V CA -0.535 61.464 62.300 -0.502 0.000 1.104 502 V CB 0.658 32.111 31.823 -0.616 0.000 1.027 502 V HN 0.700 nan 8.190 nan 0.000 0.483 503 L N 1.228 122.312 121.223 -0.233 0.000 3.066 503 L HA 0.304 4.644 4.340 -0.001 0.000 0.272 503 L C 0.991 177.815 176.870 -0.077 0.000 1.101 503 L CA 1.311 56.093 54.840 -0.097 0.000 1.022 503 L CB -0.016 42.031 42.059 -0.020 0.000 1.600 503 L HN 1.111 nan 8.230 nan 0.000 0.559 504 S N -2.396 113.247 115.700 -0.095 0.000 4.078 504 S HA 0.753 5.223 4.470 -0.001 0.000 0.290 504 S C -0.105 174.459 174.600 -0.061 0.000 1.069 504 S CA -0.192 57.980 58.200 -0.047 0.000 1.246 504 S CB 2.437 65.643 63.200 0.011 0.000 1.659 504 S HN -0.057 nan 8.310 nan 0.000 0.624 505 S N -0.685 115.014 115.700 -0.001 0.000 3.003 505 S HA 0.566 5.036 4.470 -0.001 0.000 0.313 505 S C -1.505 173.133 174.600 0.063 0.000 1.230 505 S CA -0.900 57.298 58.200 -0.003 0.000 0.977 505 S CB 1.044 64.231 63.200 -0.022 0.000 1.340 505 S HN 0.576 nan 8.310 nan 0.000 0.608 506 R N 1.372 121.896 120.500 0.041 0.000 2.860 506 R HA 0.635 4.974 4.340 -0.001 0.000 0.282 506 R C -0.203 176.118 176.300 0.034 0.000 1.408 506 R CA 0.207 56.345 56.100 0.064 0.000 1.636 506 R CB 0.539 30.875 30.300 0.059 0.000 1.187 506 R HN 0.840 nan 8.270 nan 0.000 0.611 507 T N 0.000 114.567 114.554 0.021 0.000 3.816 507 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658