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 1ac5_1_A DATA FIRST_RESID 1 DATA SEQUENCE LPSSEEYKVA YELLPGLSEV PDPSNIPQMH AGHIPLRSED ADEQDSSDLE DATA SEQUENCE YFFWKFTNND SNGNVDRPLI IWLNGGPGcS SMDGALVESG PFRVNSDGKL DATA SEQUENCE YLNEGSWISK GDLLFIDQPT GTGFSVEQNK DEGKIDKNKF DEDLEDVTKH DATA SEQUENCE FMDFLENYFK IFPEDLTRKI ILSGESYAGQ YIPFFANAIL NHNKFSKIDG DATA SEQUENCE DTYDLKALLI GNGWIDPNTQ SLSYLPFAME KKLIDESNPN FKHLTNAHEN DATA SEQUENCE cQNLINSAST DEAAHFSYQE cENILNLLLS YTRESSQKGT ADcLNMYNFN DATA SEQUENCE LKDSYPScGM NWPKDISFVS KFFSTPGVID SLHLDSDKID HWKEcTNSVG DATA SEQUENCE TKLSNPISKP SIHLLPGLLE SGIEIVLFNG DKDLICNNKG VLDTIDNLKW DATA SEQUENCE GGIKGFSDDA VSFDWIHKSK STDDSEEFSG YVKYDRNLTF VSVYNASHMV DATA SEQUENCE PFDKSLVSRG IVDIYSNDVM IIDNNGKNVM ITT 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.840 176.870 -0.050 0.000 1.165 1 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 1 L CB 0.000 42.029 42.059 -0.050 0.000 0.961 2 P HA 0.172 nan 4.420 nan 0.000 0.272 2 P C -1.769 175.456 177.300 -0.125 0.000 1.223 2 P CA -0.570 62.451 63.100 -0.133 0.000 0.784 2 P CB 0.452 31.985 31.700 -0.279 0.000 0.923 3 S N 1.671 117.276 115.700 -0.158 0.000 2.600 3 S HA 0.062 nan 4.470 nan 0.000 0.265 3 S C 1.647 176.158 174.600 -0.147 0.000 1.325 3 S CA -0.397 57.713 58.200 -0.150 0.000 1.002 3 S CB 1.542 64.671 63.200 -0.119 0.000 0.921 3 S HN -0.198 8.215 8.310 -0.167 -0.204 0.554 4 S N 2.496 118.065 115.700 -0.217 0.000 2.399 4 S HA -0.302 nan 4.470 nan 0.000 0.231 4 S C 1.869 176.531 174.600 0.103 0.000 1.022 4 S CA 3.088 61.141 58.200 -0.245 0.000 0.983 4 S CB -0.545 62.324 63.200 -0.553 0.000 0.803 4 S HN 0.780 8.940 8.310 -0.250 0.000 0.480 5 E N 1.043 121.265 120.200 0.038 0.000 2.204 5 E HA -0.213 nan 4.350 nan 0.000 0.194 5 E C 2.043 178.640 176.600 -0.006 0.000 0.989 5 E CA 2.734 59.176 56.400 0.070 0.000 0.824 5 E CB -0.846 28.865 29.700 0.019 0.000 0.756 5 E HN 0.561 8.874 8.360 -0.036 0.026 0.477 6 E N -1.308 118.807 120.200 -0.142 0.000 2.347 6 E HA -0.200 nan 4.350 nan 0.000 0.196 6 E C 0.871 177.082 176.600 -0.648 0.000 1.008 6 E CA 1.892 58.075 56.400 -0.363 0.000 0.852 6 E CB 0.030 29.450 29.700 -0.466 0.000 0.783 6 E HN -0.507 7.624 8.360 -0.140 0.145 0.505 7 Y N -3.387 116.820 120.300 -0.154 0.000 2.478 7 Y HA 0.007 nan 4.550 nan 0.000 0.261 7 Y C -0.702 175.290 175.900 0.154 0.000 1.127 7 Y CA -0.142 57.916 58.100 -0.070 0.000 1.288 7 Y CB 0.796 39.469 38.460 0.355 0.000 1.084 7 Y HN -0.661 7.494 8.280 0.079 0.173 0.530 8 K N 0.731 121.282 120.400 0.252 0.000 2.524 8 K HA -0.204 nan 4.320 nan 0.000 0.279 8 K C -0.890 175.837 176.600 0.211 0.000 0.993 8 K CA 1.450 57.770 56.287 0.055 0.000 1.030 8 K CB 0.025 32.541 32.500 0.027 0.000 0.891 8 K HN -0.821 7.446 8.250 0.217 0.113 0.488 9 V N 4.372 124.341 119.914 0.091 0.000 2.378 9 V HA 0.189 nan 4.120 nan 0.000 0.288 9 V C -0.951 175.199 176.094 0.093 0.000 1.016 9 V CA -1.365 60.981 62.300 0.075 0.000 0.840 9 V CB 1.397 33.249 31.823 0.048 0.000 0.994 9 V HN -0.286 7.902 8.190 -0.004 0.000 0.431 10 A N 6.680 129.527 122.820 0.046 0.000 2.404 10 A HA 0.270 nan 4.320 nan 0.000 0.273 10 A C 0.850 178.458 177.584 0.041 0.000 1.144 10 A CA -0.499 51.554 52.037 0.027 0.000 0.806 10 A CB 0.501 19.468 19.000 -0.054 0.000 1.080 10 A HN 0.231 8.385 8.150 0.006 0.000 0.509 11 Y N 3.680 124.028 120.300 0.079 0.000 2.193 11 Y HA -0.547 nan 4.550 nan 0.000 0.285 11 Y C 0.834 176.760 175.900 0.043 0.000 1.166 11 Y CA 2.782 60.935 58.100 0.088 0.000 1.181 11 Y CB -1.035 37.488 38.460 0.104 0.000 0.976 11 Y HN 0.647 9.125 8.280 0.330 0.000 0.520 12 E N -0.148 119.735 120.200 -0.529 0.000 2.333 12 E HA -0.280 nan 4.350 nan 0.000 0.198 12 E C 0.874 177.397 176.600 -0.129 0.000 1.007 12 E CA 2.349 58.543 56.400 -0.343 0.000 0.845 12 E CB -1.546 27.886 29.700 -0.447 0.000 0.766 12 E HN 0.523 8.321 8.360 -0.909 0.017 0.507 13 L N -2.135 119.030 121.223 -0.097 0.000 2.395 13 L HA -0.112 nan 4.340 nan 0.000 0.218 13 L C 0.315 177.167 176.870 -0.031 0.000 1.130 13 L CA 0.564 55.362 54.840 -0.071 0.000 0.826 13 L CB 0.237 42.243 42.059 -0.089 0.000 0.941 13 L HN -0.641 7.477 8.230 -0.107 0.048 0.451 14 L N -0.460 120.789 121.223 0.043 0.000 2.257 14 L HA 0.265 nan 4.340 nan 0.000 0.290 14 L C -1.881 175.072 176.870 0.139 0.000 1.044 14 L CA -2.823 52.098 54.840 0.135 0.000 0.810 14 L CB -0.443 41.781 42.059 0.274 0.000 1.193 14 L HN -0.544 7.563 8.230 0.055 0.156 0.425 15 P HA -0.272 nan 4.420 nan 0.000 0.255 15 P C -0.161 177.205 177.300 0.109 0.000 1.161 15 P CA 1.529 64.701 63.100 0.120 0.000 0.768 15 P CB -0.394 31.383 31.700 0.127 0.000 0.746 16 G N 3.065 111.889 108.800 0.040 0.000 2.254 16 G HA2 -0.413 nan 3.960 nan 0.000 0.225 16 G HA3 -0.413 nan 3.960 nan 0.000 0.225 16 G C 1.206 176.094 174.900 -0.020 0.000 1.003 16 G CA 0.539 45.640 45.100 0.002 0.000 0.622 16 G HN 0.202 8.513 8.290 0.034 0.000 0.507 17 L N 0.421 121.634 121.223 -0.017 0.000 2.275 17 L HA -0.240 nan 4.340 nan 0.000 0.215 17 L C 1.420 178.381 176.870 0.152 0.000 1.119 17 L CA 2.604 57.451 54.840 0.013 0.000 0.790 17 L CB -0.449 41.644 42.059 0.055 0.000 0.919 17 L HN -0.068 8.099 8.230 0.006 0.066 0.443 18 S N -1.848 113.935 115.700 0.139 0.000 2.522 18 S HA -0.138 nan 4.470 nan 0.000 0.227 18 S C 0.696 175.351 174.600 0.091 0.000 0.986 18 S CA 2.029 60.321 58.200 0.153 0.000 0.929 18 S CB -0.280 62.960 63.200 0.066 0.000 0.769 18 S HN 0.193 8.526 8.310 0.085 0.028 0.529 19 E N -0.426 119.805 120.200 0.053 0.000 2.400 19 E HA 0.011 nan 4.350 nan 0.000 0.195 19 E C -0.822 175.791 176.600 0.021 0.000 1.012 19 E CA -0.302 56.114 56.400 0.027 0.000 0.875 19 E CB 0.544 30.249 29.700 0.008 0.000 0.859 19 E HN -0.602 7.605 8.360 0.046 0.181 0.498 20 V N 2.362 122.289 119.914 0.022 0.000 2.475 20 V HA -0.110 nan 4.120 nan 0.000 0.292 20 V C -0.805 175.296 176.094 0.012 0.000 1.003 20 V CA -1.226 61.081 62.300 0.011 0.000 1.120 20 V CB -0.639 31.178 31.823 -0.009 0.000 0.937 20 V HN -0.704 7.353 8.190 0.030 0.151 0.476 21 P HA -0.161 nan 4.420 nan 0.000 0.217 21 P C -1.208 176.096 177.300 0.007 0.000 1.158 21 P CA 1.862 64.967 63.100 0.008 0.000 0.887 21 P CB 0.489 32.191 31.700 0.004 0.000 0.792 22 D N -5.007 115.394 120.400 0.000 0.000 2.462 22 D HA 0.295 nan 4.640 nan 0.000 0.245 22 D C -1.630 174.649 176.300 -0.034 0.000 1.122 22 D CA -3.281 50.715 54.000 -0.007 0.000 0.864 22 D CB 0.358 41.157 40.800 -0.001 0.000 1.098 22 D HN -0.228 8.143 8.370 0.002 0.000 0.541 23 P HA 0.028 nan 4.420 nan 0.000 0.234 23 P C -0.258 176.950 177.300 -0.153 0.000 1.167 23 P CA 0.833 63.830 63.100 -0.172 0.000 0.763 23 P CB 0.023 31.648 31.700 -0.126 0.000 0.835 24 S N -3.474 112.189 115.700 -0.061 0.000 2.527 24 S HA -0.124 nan 4.470 nan 0.000 0.222 24 S C 1.159 175.748 174.600 -0.017 0.000 0.985 24 S CA 1.585 59.767 58.200 -0.029 0.000 0.921 24 S CB 0.187 63.386 63.200 -0.003 0.000 0.772 24 S HN -0.403 8.043 8.310 -0.039 -0.159 0.529 25 N N 0.935 119.623 118.700 -0.020 0.000 2.422 25 N HA 0.024 nan 4.740 nan 0.000 0.181 25 N C -0.744 174.780 175.510 0.024 0.000 1.080 25 N CA 0.567 53.620 53.050 0.004 0.000 0.893 25 N CB 0.782 39.275 38.487 0.010 0.000 0.973 25 N HN -0.464 7.847 8.380 -0.033 0.049 0.456 26 I N 3.176 123.750 120.570 0.006 0.000 2.396 26 I HA 0.122 nan 4.170 nan 0.000 0.289 26 I C -1.323 174.855 176.117 0.102 0.000 1.056 26 I CA -1.957 59.396 61.300 0.088 0.000 1.365 26 I CB 0.302 38.263 38.000 -0.064 0.000 1.407 26 I HN -0.796 7.331 8.210 -0.060 0.047 0.509 27 P HA 0.110 nan 4.420 nan 0.000 0.274 27 P C -2.213 175.239 177.300 0.253 0.000 1.246 27 P CA -0.763 62.451 63.100 0.191 0.000 0.795 27 P CB 0.830 32.649 31.700 0.198 0.000 1.006 28 Q N 0.246 120.178 119.800 0.221 0.000 2.352 28 Q HA -0.038 nan 4.340 nan 0.000 0.260 28 Q C -0.895 175.238 176.000 0.222 0.000 0.976 28 Q CA 0.449 56.376 55.803 0.206 0.000 0.881 28 Q CB 1.225 30.081 28.738 0.196 0.000 1.235 28 Q HN 0.063 8.452 8.270 0.198 0.000 0.419 29 M N 2.412 122.098 119.600 0.143 0.000 2.591 29 M HA 0.584 nan 4.480 nan 0.000 0.306 29 M C -1.108 175.152 176.300 -0.067 0.000 1.190 29 M CA -0.917 54.461 55.300 0.130 0.000 0.889 29 M CB 4.904 37.696 32.600 0.321 0.000 1.728 29 M HN 0.085 8.435 8.290 0.100 0.000 0.458 30 H N -0.512 118.682 119.070 0.206 0.000 2.865 30 H HA 0.636 nan 4.556 nan 0.000 0.362 30 H C -2.288 172.952 175.328 -0.146 0.000 1.114 30 H CA -0.242 55.948 56.048 0.236 0.000 1.208 30 H CB 4.253 34.317 29.762 0.502 0.000 1.727 30 H HN 0.141 8.574 8.280 0.256 0.000 0.534 31 A N 2.439 125.146 122.820 -0.188 0.000 2.608 31 A HA 0.606 nan 4.320 nan 0.000 0.292 31 A C -2.192 175.224 177.584 -0.279 0.000 1.066 31 A CA -0.348 51.192 52.037 -0.828 0.000 0.676 31 A CB 2.992 21.514 19.000 -0.798 0.000 1.277 31 A HN 0.222 8.512 8.150 0.234 0.000 0.413 32 G N -0.775 107.767 108.800 -0.431 0.000 2.340 32 G HA2 -0.113 nan 3.960 nan 0.000 0.282 32 G HA3 -0.113 nan 3.960 nan 0.000 0.282 32 G C -2.546 172.679 174.900 0.542 0.000 1.312 32 G CA 0.436 45.728 45.100 0.320 0.000 0.942 32 G HN -0.224 7.341 8.290 -1.208 0.000 0.495 33 H N 0.739 120.137 119.070 0.547 0.000 2.527 33 H HA 0.524 nan 4.556 nan 0.000 0.321 33 H C -0.371 175.249 175.328 0.486 0.000 1.087 33 H CA -1.458 54.882 56.048 0.485 0.000 1.337 33 H CB 0.875 30.843 29.762 0.343 0.000 1.440 33 H HN -0.005 8.654 8.280 0.632 0.000 0.490 34 I N 5.749 126.605 120.570 0.477 0.000 2.418 34 I HA 0.319 nan 4.170 nan 0.000 0.287 34 I C -2.376 173.819 176.117 0.130 0.000 1.008 34 I CA -2.946 58.509 61.300 0.258 0.000 1.104 34 I CB 2.744 40.778 38.000 0.056 0.000 1.264 34 I HN 0.277 8.787 8.210 0.501 0.000 0.438 35 P HA 0.109 nan 4.420 nan 0.000 0.270 35 P C -1.358 175.885 177.300 -0.096 0.000 1.223 35 P CA 0.029 63.116 63.100 -0.022 0.000 0.785 35 P CB 0.510 32.205 31.700 -0.008 0.000 0.923 36 L N -1.731 119.400 121.223 -0.154 0.000 2.357 36 L HA 0.087 nan 4.340 nan 0.000 0.211 36 L C 0.491 177.284 176.870 -0.129 0.000 1.075 36 L CA 0.156 54.874 54.840 -0.203 0.000 0.830 36 L CB 0.574 42.417 42.059 -0.360 0.000 0.996 36 L HN -0.027 8.112 8.230 -0.151 0.000 0.467 37 R N -0.038 120.403 120.500 -0.098 0.000 2.484 37 R HA -0.148 nan 4.340 nan 0.000 0.293 37 R C -0.450 175.825 176.300 -0.043 0.000 1.023 37 R CA 0.594 56.660 56.100 -0.057 0.000 1.037 37 R CB 0.480 30.756 30.300 -0.041 0.000 0.951 37 R HN -0.410 7.798 8.270 -0.103 0.000 0.418 38 S N 4.343 120.027 115.700 -0.027 0.000 2.592 38 S HA 0.060 nan 4.470 nan 0.000 0.271 38 S C 0.369 174.960 174.600 -0.015 0.000 1.326 38 S CA -0.315 57.873 58.200 -0.019 0.000 1.024 38 S CB 1.153 64.352 63.200 -0.003 0.000 0.921 38 S HN 0.045 8.344 8.310 -0.019 0.000 0.527 39 E N 2.896 123.087 120.200 -0.015 0.000 2.152 39 E HA -0.146 nan 4.350 nan 0.000 0.192 39 E C 0.942 177.538 176.600 -0.007 0.000 0.983 39 E CA 1.219 57.611 56.400 -0.013 0.000 0.818 39 E CB 0.043 29.733 29.700 -0.017 0.000 0.758 39 E HN 0.649 8.999 8.360 -0.017 0.000 0.467 40 D N 1.789 122.188 120.400 -0.002 0.000 3.057 40 D HA 0.161 nan 4.640 nan 0.000 0.246 40 D C -1.946 174.357 176.300 0.004 0.000 1.238 40 D CA -0.645 53.355 54.000 0.002 0.000 0.949 40 D CB -1.414 39.389 40.800 0.005 0.000 1.086 40 D HN -0.366 7.986 8.370 -0.002 0.017 0.487 41 A N -0.692 122.129 122.820 0.002 0.000 2.475 41 A HA 0.271 nan 4.320 nan 0.000 0.301 41 A C -0.983 176.603 177.584 0.004 0.000 1.059 41 A CA -0.116 51.924 52.037 0.005 0.000 0.710 41 A CB 2.318 21.320 19.000 0.003 0.000 1.288 41 A HN -0.627 7.445 8.150 -0.001 0.078 0.408 42 D N 2.346 122.750 120.400 0.006 0.000 2.506 42 D HA -0.182 nan 4.640 nan 0.000 0.234 42 D C 0.732 177.034 176.300 0.004 0.000 1.143 42 D CA -0.271 53.732 54.000 0.006 0.000 0.871 42 D CB 0.411 41.216 40.800 0.008 0.000 1.190 42 D HN 0.378 8.753 8.370 0.009 0.000 0.459 43 E N 0.418 120.620 120.200 0.003 0.000 2.265 43 E HA -0.223 nan 4.350 nan 0.000 0.196 43 E C 1.279 177.882 176.600 0.004 0.000 0.996 43 E CA 1.568 57.970 56.400 0.002 0.000 0.832 43 E CB -0.929 28.772 29.700 0.002 0.000 0.756 43 E HN 0.308 8.669 8.360 0.003 0.000 0.491 44 Q N -0.894 118.909 119.800 0.005 0.000 2.096 44 Q HA -0.137 nan 4.340 nan 0.000 0.197 44 Q C 0.303 176.308 176.000 0.008 0.000 0.964 44 Q CA 0.690 56.497 55.803 0.007 0.000 0.838 44 Q CB -0.285 28.458 28.738 0.008 0.000 0.906 44 Q HN 0.381 8.614 8.270 0.006 0.040 0.444 45 D N 1.391 121.796 120.400 0.009 0.000 2.380 45 D HA -0.009 nan 4.640 nan 0.000 0.270 45 D C 0.143 176.447 176.300 0.007 0.000 1.363 45 D CA -0.284 53.723 54.000 0.011 0.000 1.057 45 D CB -1.521 39.287 40.800 0.013 0.000 1.096 45 D HN 0.024 8.400 8.370 0.009 0.000 0.524 46 S N 2.349 118.054 115.700 0.007 0.000 3.697 46 S HA -0.027 nan 4.470 nan 0.000 0.207 46 S C -0.234 174.367 174.600 0.002 0.000 1.459 46 S CA -0.920 57.283 58.200 0.004 0.000 1.122 46 S CB -0.981 62.222 63.200 0.006 0.000 1.311 46 S HN -0.171 8.145 8.310 0.010 0.000 0.487 47 S N 1.499 117.196 115.700 -0.005 0.000 2.531 47 S HA -0.047 nan 4.470 nan 0.000 0.279 47 S C 0.077 174.661 174.600 -0.027 0.000 1.305 47 S CA 0.237 58.427 58.200 -0.018 0.000 1.058 47 S CB 0.514 63.694 63.200 -0.032 0.000 0.899 47 S HN -0.517 7.719 8.310 -0.004 0.072 0.493 48 D N 3.987 124.372 120.400 -0.025 0.000 2.501 48 D HA 0.102 nan 4.640 nan 0.000 0.224 48 D C -0.150 176.130 176.300 -0.034 0.000 1.202 48 D CA -0.583 53.407 54.000 -0.017 0.000 0.829 48 D CB -0.272 40.532 40.800 0.007 0.000 1.023 48 D HN 0.103 8.460 8.370 -0.021 0.000 0.499 49 L N 1.094 122.267 121.223 -0.084 0.000 2.426 49 L HA 0.064 nan 4.340 nan 0.000 0.271 49 L C -0.939 175.840 176.870 -0.151 0.000 1.169 49 L CA 0.669 55.437 54.840 -0.121 0.000 0.836 49 L CB 0.406 42.326 42.059 -0.232 0.000 1.112 49 L HN -0.896 7.273 8.230 -0.101 0.000 0.465 50 E N 0.067 120.189 120.200 -0.130 0.000 2.290 50 E HA 0.389 nan 4.350 nan 0.000 0.274 50 E C -1.549 175.030 176.600 -0.036 0.000 0.889 50 E CA -1.254 55.051 56.400 -0.159 0.000 0.760 50 E CB 4.019 33.553 29.700 -0.276 0.000 1.206 50 E HN -0.040 8.273 8.360 -0.077 0.000 0.419 51 Y N 1.268 121.563 120.300 -0.010 0.000 2.387 51 Y HA 0.272 nan 4.550 nan 0.000 0.330 51 Y C -1.204 174.884 175.900 0.314 0.000 1.133 51 Y CA -2.805 55.341 58.100 0.076 0.000 1.152 51 Y CB 2.088 40.522 38.460 -0.044 0.000 1.215 51 Y HN 0.057 8.442 8.280 0.174 0.000 0.466 52 F N 3.304 123.501 119.950 0.412 0.000 2.397 52 F HA 0.741 nan 4.527 nan 0.000 0.331 52 F C -2.415 173.666 175.800 0.468 0.000 1.090 52 F CA -1.727 56.583 58.000 0.516 0.000 1.065 52 F CB 2.977 42.271 39.000 0.491 0.000 1.184 52 F HN 0.456 9.076 8.300 0.533 0.000 0.499 53 F N 1.341 120.878 119.950 -0.688 0.000 2.643 53 F HA 0.848 nan 4.527 nan 0.000 0.314 53 F C -3.168 172.300 175.800 -0.554 0.000 1.096 53 F CA -2.045 55.724 58.000 -0.385 0.000 0.953 53 F CB 3.925 42.921 39.000 -0.006 0.000 1.345 53 F HN 0.004 7.658 8.300 -1.077 0.000 0.468 54 W N 1.329 122.425 121.300 -0.340 0.000 2.802 54 W HA 0.406 nan 4.660 nan 0.000 0.331 54 W C -2.474 174.004 176.519 -0.068 0.000 1.021 54 W CA -1.444 55.688 57.345 -0.354 0.000 1.259 54 W CB 3.023 32.448 29.460 -0.058 0.000 1.323 54 W HN 0.438 8.845 8.180 0.378 0.000 0.432 55 K N 5.957 126.505 120.400 0.246 0.000 2.138 55 K HA 0.722 nan 4.320 nan 0.000 0.263 55 K C -1.819 174.707 176.600 -0.124 0.000 0.965 55 K CA -1.259 55.132 56.287 0.173 0.000 0.868 55 K CB 3.472 36.133 32.500 0.268 0.000 1.083 55 K HN 0.833 9.116 8.250 0.232 0.106 0.443 56 F N 5.213 125.282 119.950 0.197 0.000 2.460 56 F HA 0.468 nan 4.527 nan 0.000 0.341 56 F C -1.250 174.618 175.800 0.113 0.000 1.130 56 F CA -1.292 56.778 58.000 0.117 0.000 0.962 56 F CB 2.388 41.367 39.000 -0.036 0.000 1.171 56 F HN 0.731 9.119 8.300 0.323 0.106 0.436 57 T N 5.623 120.347 114.554 0.284 0.000 2.940 57 T HA 0.493 nan 4.350 nan 0.000 0.288 57 T C -0.518 174.286 174.700 0.174 0.000 1.033 57 T CA -1.104 61.126 62.100 0.216 0.000 1.033 57 T CB 2.029 71.038 68.868 0.234 0.000 1.079 57 T HN 0.735 9.043 8.240 0.294 0.108 0.496 58 N N 1.928 120.710 118.700 0.136 0.000 2.267 58 N HA -0.053 nan 4.740 nan 0.000 0.266 58 N C 1.081 176.653 175.510 0.103 0.000 1.295 58 N CA 0.123 53.235 53.050 0.104 0.000 0.914 58 N CB 1.157 39.695 38.487 0.085 0.000 1.083 58 N HN -0.046 8.597 8.380 0.133 -0.183 0.507 59 N N -2.642 116.106 118.700 0.081 0.000 2.607 59 N HA -0.019 nan 4.740 nan 0.000 0.207 59 N C -0.310 175.242 175.510 0.071 0.000 1.040 59 N CA 0.638 53.733 53.050 0.075 0.000 0.947 59 N CB -0.089 38.433 38.487 0.058 0.000 1.293 59 N HN 0.130 8.551 8.380 0.070 0.000 0.446 60 D N -1.169 119.267 120.400 0.060 0.000 2.163 60 D HA 0.313 nan 4.640 nan 0.000 0.248 60 D C -0.233 176.101 176.300 0.056 0.000 1.035 60 D CA -0.686 53.347 54.000 0.054 0.000 0.872 60 D CB 0.670 41.496 40.800 0.043 0.000 1.183 60 D HN -0.147 8.257 8.370 0.056 0.000 0.445 61 S N 0.575 116.307 115.700 0.055 0.000 2.368 61 S HA -0.304 nan 4.470 nan 0.000 0.224 61 S C 2.167 176.794 174.600 0.045 0.000 1.029 61 S CA 1.657 59.889 58.200 0.054 0.000 0.988 61 S CB -0.067 63.164 63.200 0.051 0.000 0.838 61 S HN 0.690 9.032 8.310 0.053 0.000 0.462 62 N N 1.474 120.197 118.700 0.038 0.000 2.166 62 N HA -0.091 nan 4.740 nan 0.000 0.186 62 N C 1.819 177.348 175.510 0.031 0.000 1.019 62 N CA 1.928 54.997 53.050 0.031 0.000 0.856 62 N CB -0.575 37.928 38.487 0.027 0.000 0.993 62 N HN 0.276 8.679 8.380 0.038 0.000 0.426 63 G N -4.722 104.097 108.800 0.033 0.000 3.026 63 G HA2 -0.047 nan 3.960 nan 0.000 0.208 63 G HA3 -0.047 nan 3.960 nan 0.000 0.208 63 G C -1.366 173.556 174.900 0.037 0.000 1.169 63 G CA 0.040 45.159 45.100 0.031 0.000 0.788 63 G HN 0.129 8.441 8.290 0.036 0.000 0.533 64 N N -1.943 116.783 118.700 0.043 0.000 2.200 64 N HA 0.380 nan 4.740 nan 0.000 0.224 64 N C 0.338 175.877 175.510 0.048 0.000 1.179 64 N CA -0.735 52.345 53.050 0.050 0.000 0.877 64 N CB 0.207 38.732 38.487 0.064 0.000 1.072 64 N HN -0.820 7.390 8.380 0.043 0.196 0.519 65 V N -1.147 118.790 119.914 0.039 0.000 2.215 65 V HA -0.268 nan 4.120 nan 0.000 0.246 65 V C 0.286 176.402 176.094 0.037 0.000 1.047 65 V CA 3.295 65.616 62.300 0.036 0.000 0.999 65 V CB -0.246 31.593 31.823 0.028 0.000 0.635 65 V HN -0.865 7.286 8.190 0.035 0.060 0.450 66 D N -1.795 118.623 120.400 0.031 0.000 2.363 66 D HA -0.102 nan 4.640 nan 0.000 0.220 66 D C -0.519 175.805 176.300 0.040 0.000 0.994 66 D CA -0.070 53.949 54.000 0.031 0.000 0.890 66 D CB -0.295 40.516 40.800 0.017 0.000 0.906 66 D HN 0.035 8.420 8.370 0.026 0.000 0.530 67 R N 0.131 120.657 120.500 0.044 0.000 2.484 67 R HA 0.071 nan 4.340 nan 0.000 0.293 67 R C -1.952 174.388 176.300 0.068 0.000 1.023 67 R CA -1.092 55.039 56.100 0.052 0.000 1.037 67 R CB 0.534 30.865 30.300 0.052 0.000 0.951 67 R HN -0.234 7.989 8.270 0.041 0.072 0.418 68 P HA 0.185 nan 4.420 nan 0.000 0.277 68 P C -2.140 175.212 177.300 0.086 0.000 1.240 68 P CA -1.080 62.073 63.100 0.088 0.000 0.798 68 P CB 1.109 32.870 31.700 0.103 0.000 0.979 69 L N 2.291 123.567 121.223 0.089 0.000 2.259 69 L HA 0.466 nan 4.340 nan 0.000 0.288 69 L C -1.566 175.345 176.870 0.068 0.000 1.051 69 L CA -0.991 53.898 54.840 0.082 0.000 0.824 69 L CB 0.964 43.083 42.059 0.100 0.000 1.206 69 L HN 0.459 8.746 8.230 0.094 0.000 0.429 70 I N 8.276 128.887 120.570 0.068 0.000 2.297 70 I HA 0.258 nan 4.170 nan 0.000 0.291 70 I C -0.963 175.165 176.117 0.018 0.000 1.033 70 I CA -0.396 60.955 61.300 0.085 0.000 1.253 70 I CB 0.091 38.200 38.000 0.183 0.000 1.396 70 I HN 1.018 9.271 8.210 0.071 0.000 0.476 71 I N 6.704 127.288 120.570 0.024 0.000 2.396 71 I HA 0.355 nan 4.170 nan 0.000 0.292 71 I C -1.544 174.592 176.117 0.032 0.000 0.999 71 I CA -0.660 60.632 61.300 -0.012 0.000 1.310 71 I CB 1.376 39.405 38.000 0.048 0.000 1.404 71 I HN 0.660 8.901 8.210 0.052 0.000 0.496 72 W N 7.467 128.621 121.300 -0.242 0.000 2.656 72 W HA 0.573 nan 4.660 nan 0.000 0.327 72 W C -2.877 173.649 176.519 0.011 0.000 1.041 72 W CA -1.363 55.891 57.345 -0.151 0.000 1.229 72 W CB 3.751 33.021 29.460 -0.316 0.000 1.397 72 W HN 0.807 8.945 8.180 -0.071 0.000 0.479 73 L N 5.754 126.794 121.223 -0.305 0.000 2.409 73 L HA 0.314 nan 4.340 nan 0.000 0.272 73 L C -1.965 174.814 176.870 -0.150 0.000 0.980 73 L CA -1.266 53.517 54.840 -0.095 0.000 0.826 73 L CB 2.826 44.825 42.059 -0.101 0.000 1.268 73 L HN 0.160 7.932 8.230 -0.763 0.000 0.407 74 N N 3.235 122.015 118.700 0.133 0.000 2.413 74 N HA 0.082 nan 4.740 nan 0.000 0.266 74 N C -0.133 175.484 175.510 0.177 0.000 1.238 74 N CA 0.407 53.557 53.050 0.166 0.000 0.972 74 N CB 1.471 40.117 38.487 0.265 0.000 1.210 74 N HN -0.380 8.131 8.380 0.219 0.000 0.547 75 G N -2.397 106.486 108.800 0.138 0.000 3.329 75 G HA2 0.191 nan 3.960 nan 0.000 0.180 75 G HA3 0.191 nan 3.960 nan 0.000 0.180 75 G C -1.047 173.908 174.900 0.092 0.000 1.640 75 G CA -0.383 44.805 45.100 0.146 0.000 1.018 75 G HN 0.232 8.592 8.290 0.116 0.000 0.581 76 G N -1.928 106.884 108.800 0.021 0.000 2.134 76 G HA2 -0.188 nan 3.960 nan 0.000 0.225 76 G HA3 -0.188 nan 3.960 nan 0.000 0.225 76 G C -2.276 172.463 174.900 -0.268 0.000 1.944 76 G CA 0.006 45.050 45.100 -0.093 0.000 1.512 76 G HN 0.011 8.348 8.290 0.078 0.000 0.493 77 P HA 0.171 nan 4.420 nan 0.000 0.272 77 P C -1.034 176.149 177.300 -0.195 0.000 1.223 77 P CA -0.435 62.456 63.100 -0.348 0.000 0.784 77 P CB 0.148 31.546 31.700 -0.503 0.000 0.923 78 G N -1.715 107.012 108.800 -0.121 0.000 2.192 78 G HA2 -0.305 nan 3.960 nan 0.000 0.193 78 G HA3 -0.305 nan 3.960 nan 0.000 0.193 78 G C -0.284 174.522 174.900 -0.156 0.000 0.999 78 G CA -0.174 44.824 45.100 -0.170 0.000 0.659 78 G HN -0.193 8.075 8.290 -0.037 0.000 0.503 79 c N 2.069 120.616 118.600 -0.089 0.000 2.347 79 c HA 0.397 nan 4.570 nan 0.000 0.353 79 c C -0.289 173.788 174.090 -0.021 0.000 1.273 79 c CA -0.720 55.562 56.329 -0.078 0.000 1.861 79 c CB -0.698 41.798 42.510 -0.024 0.000 2.420 79 c HN -0.172 8.032 8.230 -0.044 0.000 0.542 80 S N 4.127 119.797 115.700 -0.050 0.000 2.549 80 S HA -0.128 nan 4.470 nan 0.000 0.286 80 S C 1.316 176.075 174.600 0.265 0.000 1.314 80 S CA 0.365 58.626 58.200 0.101 0.000 1.062 80 S CB 0.990 64.294 63.200 0.174 0.000 0.865 80 S HN 0.633 8.840 8.310 -0.173 0.000 0.498 81 S N 9.534 125.422 115.700 0.313 0.000 2.660 81 S HA 0.010 nan 4.470 nan 0.000 0.223 81 S C 0.643 175.467 174.600 0.373 0.000 0.963 81 S CA 1.883 60.341 58.200 0.430 0.000 0.932 81 S CB -0.399 63.095 63.200 0.490 0.000 0.775 81 S HN 0.756 9.490 8.310 0.269 -0.262 0.531 82 M N 0.927 120.751 119.600 0.372 0.000 2.595 82 M HA 0.029 nan 4.480 nan 0.000 0.248 82 M C 1.192 177.519 176.300 0.045 0.000 1.119 82 M CA 0.018 55.465 55.300 0.245 0.000 1.079 82 M CB -1.238 31.573 32.600 0.352 0.000 1.472 82 M HN -0.442 8.018 8.290 0.462 0.107 0.501 83 D N 0.959 121.456 120.400 0.161 0.000 2.123 83 D HA -0.112 nan 4.640 nan 0.000 0.200 83 D C 2.279 178.474 176.300 -0.175 0.000 0.976 83 D CA 4.057 58.083 54.000 0.044 0.000 0.831 83 D CB -0.246 40.627 40.800 0.121 0.000 0.974 83 D HN -0.397 8.088 8.370 0.290 0.059 0.469 84 G N -1.289 107.406 108.800 -0.176 0.000 2.402 84 G HA2 -0.240 nan 3.960 nan 0.000 0.216 84 G HA3 -0.240 nan 3.960 nan 0.000 0.216 84 G C 0.530 174.778 174.900 -1.086 0.000 1.162 84 G CA 1.817 46.525 45.100 -0.653 0.000 0.777 84 G HN -0.453 7.924 8.290 0.074 -0.042 0.539 85 A N 0.719 122.691 122.820 -1.414 0.000 1.930 85 A HA -0.076 nan 4.320 nan 0.000 0.217 85 A C 1.087 178.062 177.584 -1.015 0.000 1.175 85 A CA 2.825 53.803 52.037 -1.764 0.000 0.627 85 A CB -0.161 18.054 19.000 -1.308 0.000 0.815 85 A HN -0.520 6.999 8.150 -0.928 0.074 0.443 86 L N -7.918 112.916 121.223 -0.648 0.000 2.858 86 L HA 0.250 nan 4.340 nan 0.000 0.251 86 L C -0.180 176.454 176.870 -0.393 0.000 1.149 86 L CA 0.327 54.858 54.840 -0.515 0.000 0.955 86 L CB 1.232 43.016 42.059 -0.457 0.000 1.289 86 L HN -0.322 7.481 8.230 -0.538 0.104 0.542 87 V N -3.984 115.722 119.914 -0.347 0.000 3.382 87 V HA -0.016 nan 4.120 nan 0.000 0.296 87 V C -0.454 175.568 176.094 -0.119 0.000 1.529 87 V CA 0.379 62.560 62.300 -0.198 0.000 1.048 87 V CB 0.238 31.917 31.823 -0.239 0.000 0.878 87 V HN 0.057 7.914 8.190 -0.413 0.085 0.442 88 E N -0.415 119.596 120.200 -0.314 0.000 4.156 88 E HA 0.269 nan 4.350 nan 0.000 0.223 88 E C -0.159 176.119 176.600 -0.536 0.000 1.107 88 E CA -0.004 56.191 56.400 -0.341 0.000 0.903 88 E CB 1.224 30.693 29.700 -0.386 0.000 2.687 88 E HN -0.691 7.396 8.360 -0.455 0.000 0.517 89 S N 1.048 116.204 115.700 -0.907 0.000 2.561 89 S HA -0.073 nan 4.470 nan 0.000 0.225 89 S C 1.187 175.404 174.600 -0.638 0.000 0.977 89 S CA 1.462 59.060 58.200 -1.003 0.000 0.926 89 S CB -0.465 61.612 63.200 -1.873 0.000 0.769 89 S HN 0.038 7.627 8.310 -1.201 0.000 0.533 90 G N 2.503 110.886 108.800 -0.695 0.000 2.664 90 G HA2 0.042 nan 3.960 nan 0.000 0.242 90 G HA3 0.042 nan 3.960 nan 0.000 0.242 90 G C -2.149 172.247 174.900 -0.840 0.000 1.225 90 G CA -1.535 43.071 45.100 -0.824 0.000 0.849 90 G HN -0.069 7.680 8.290 -0.798 0.062 0.581 91 P HA -0.072 nan 4.420 nan 0.000 0.225 91 P C -1.311 175.344 177.300 -1.075 0.000 1.148 91 P CA 1.910 64.290 63.100 -1.200 0.000 0.779 91 P CB 0.407 31.066 31.700 -1.735 0.000 0.780 92 F N -4.141 115.423 119.950 -0.644 0.000 2.640 92 F HA 0.737 nan 4.527 nan 0.000 0.324 92 F C -1.663 173.736 175.800 -0.669 0.000 1.077 92 F CA -1.571 56.069 58.000 -0.600 0.000 0.965 92 F CB 2.866 41.527 39.000 -0.565 0.000 1.351 92 F HN -0.957 6.612 8.300 -1.135 0.049 0.487 93 R N -2.466 117.654 120.500 -0.632 0.000 2.867 93 R HA 0.756 nan 4.340 nan 0.000 0.268 93 R C -2.272 173.565 176.300 -0.771 0.000 1.014 93 R CA -2.792 52.867 56.100 -0.734 0.000 0.946 93 R CB 4.306 34.072 30.300 -0.889 0.000 1.208 93 R HN 0.551 8.376 8.270 -0.741 0.000 0.477 94 V N -0.489 119.203 119.914 -0.371 0.000 2.448 94 V HA 0.405 nan 4.120 nan 0.000 0.295 94 V C -0.852 175.326 176.094 0.141 0.000 1.025 94 V CA -1.614 60.589 62.300 -0.162 0.000 0.859 94 V CB 0.543 32.256 31.823 -0.183 0.000 0.988 94 V HN 0.403 8.455 8.190 -0.230 0.000 0.431 95 N N 4.930 123.725 118.700 0.158 0.000 2.327 95 N HA 0.118 nan 4.740 nan 0.000 0.257 95 N C 1.238 176.400 175.510 -0.580 0.000 1.281 95 N CA -0.854 52.162 53.050 -0.056 0.000 0.942 95 N CB 0.948 39.386 38.487 -0.082 0.000 1.199 95 N HN 0.480 8.955 8.380 0.159 0.000 0.532 96 S N -3.380 111.756 115.700 -0.941 0.000 2.440 96 S HA -0.297 nan 4.470 nan 0.000 0.238 96 S C 0.349 174.633 174.600 -0.526 0.000 1.010 96 S CA 2.760 60.183 58.200 -1.296 0.000 0.972 96 S CB -0.399 62.350 63.200 -0.752 0.000 0.774 96 S HN 0.295 8.229 8.310 -0.628 0.000 0.501 97 D N -0.779 119.445 120.400 -0.293 0.000 2.336 97 D HA 0.109 nan 4.640 nan 0.000 0.228 97 D C 0.450 176.718 176.300 -0.053 0.000 1.120 97 D CA 0.066 53.990 54.000 -0.127 0.000 0.839 97 D CB -0.028 40.718 40.800 -0.090 0.000 0.932 97 D HN -0.620 7.718 8.370 -0.294 -0.145 0.509 98 G N 0.619 109.390 108.800 -0.048 0.000 2.203 98 G HA2 -0.505 nan 3.960 nan 0.000 0.263 98 G HA3 -0.505 nan 3.960 nan 0.000 0.263 98 G C -0.672 174.303 174.900 0.124 0.000 1.012 98 G CA 1.005 46.150 45.100 0.075 0.000 0.749 98 G HN -0.259 7.845 8.290 -0.153 0.094 0.512 99 K N -1.197 119.224 120.400 0.035 0.000 2.138 99 K HA 0.587 nan 4.320 nan 0.000 0.263 99 K C -0.999 175.576 176.600 -0.042 0.000 0.965 99 K CA -2.340 53.970 56.287 0.037 0.000 0.868 99 K CB 1.541 34.050 32.500 0.015 0.000 1.083 99 K HN -0.466 8.039 8.250 -0.019 -0.267 0.443 100 L N 2.761 123.893 121.223 -0.152 0.000 2.399 100 L HA 0.428 nan 4.340 nan 0.000 0.266 100 L C -1.127 175.669 176.870 -0.124 0.000 1.114 100 L CA 0.022 54.666 54.840 -0.326 0.000 0.804 100 L CB 0.826 42.514 42.059 -0.618 0.000 1.146 100 L HN 0.265 8.443 8.230 -0.088 0.000 0.451 101 Y N -4.351 115.824 120.300 -0.208 0.000 2.581 101 Y HA 0.365 nan 4.550 nan 0.000 0.337 101 Y C -1.928 173.975 175.900 0.005 0.000 1.108 101 Y CA -2.868 55.165 58.100 -0.111 0.000 1.033 101 Y CB 2.249 40.658 38.460 -0.084 0.000 1.318 101 Y HN 0.234 8.234 8.280 -0.467 0.000 0.459 102 L N 0.672 122.009 121.223 0.190 0.000 2.485 102 L HA -0.126 nan 4.340 nan 0.000 0.275 102 L C 0.030 176.931 176.870 0.051 0.000 1.207 102 L CA 0.707 55.644 54.840 0.161 0.000 0.855 102 L CB 0.272 42.411 42.059 0.133 0.000 1.114 102 L HN 0.259 8.609 8.230 0.201 0.000 0.485 103 N N 2.796 121.445 118.700 -0.084 0.000 2.462 103 N HA 0.075 nan 4.740 nan 0.000 0.242 103 N C 0.772 176.243 175.510 -0.065 0.000 1.010 103 N CA -1.399 51.579 53.050 -0.120 0.000 0.939 103 N CB 0.773 39.108 38.487 -0.253 0.000 1.127 103 N HN 0.265 8.474 8.380 -0.127 0.094 0.509 104 E N 6.523 126.720 120.200 -0.006 0.000 2.160 104 E HA -0.301 nan 4.350 nan 0.000 0.195 104 E C 0.394 176.995 176.600 0.002 0.000 0.991 104 E CA 2.224 58.627 56.400 0.005 0.000 0.810 104 E CB -0.210 29.503 29.700 0.022 0.000 0.742 104 E HN 0.458 8.833 8.360 0.024 0.000 0.466 105 G N -3.851 104.945 108.800 -0.006 0.000 3.707 105 G HA2 0.142 nan 3.960 nan 0.000 0.286 105 G HA3 0.142 nan 3.960 nan 0.000 0.286 105 G C -1.249 173.677 174.900 0.042 0.000 1.112 105 G CA -1.025 44.087 45.100 0.021 0.000 0.861 105 G HN -0.692 7.748 8.290 -0.023 -0.164 0.534 106 S N 0.685 116.376 115.700 -0.014 0.000 2.572 106 S HA -0.129 nan 4.470 nan 0.000 0.279 106 S C 1.169 175.862 174.600 0.155 0.000 1.341 106 S CA -0.198 57.984 58.200 -0.030 0.000 1.043 106 S CB 0.625 63.708 63.200 -0.195 0.000 0.887 106 S HN -0.740 7.467 8.310 -0.048 0.074 0.516 107 W N 6.018 127.227 121.300 -0.151 0.000 2.961 107 W HA 0.054 nan 4.660 nan 0.000 0.240 107 W C 1.714 178.186 176.519 -0.078 0.000 1.305 107 W CA 0.205 57.493 57.345 -0.094 0.000 1.465 107 W CB -0.801 28.616 29.460 -0.072 0.000 1.135 107 W HN 0.585 8.866 8.180 0.167 0.000 0.688 108 I N 1.909 122.532 120.570 0.089 0.000 2.567 108 I HA -0.440 nan 4.170 nan 0.000 0.257 108 I C 0.538 176.676 176.117 0.035 0.000 1.184 108 I CA 1.326 62.643 61.300 0.028 0.000 1.451 108 I CB -0.059 37.897 38.000 -0.074 0.000 1.089 108 I HN -0.707 7.432 8.210 0.028 0.088 0.441 109 S N -0.385 115.332 115.700 0.030 0.000 2.522 109 S HA -0.159 nan 4.470 nan 0.000 0.227 109 S C 1.450 176.056 174.600 0.010 0.000 0.986 109 S CA 2.899 61.110 58.200 0.019 0.000 0.929 109 S CB -0.166 63.044 63.200 0.016 0.000 0.769 109 S HN -0.411 7.885 8.310 0.038 0.038 0.529 110 K N -0.672 119.731 120.400 0.004 0.000 2.367 110 K HA 0.144 nan 4.320 nan 0.000 0.195 110 K C -0.113 176.495 176.600 0.013 0.000 1.060 110 K CA -0.393 55.879 56.287 -0.024 0.000 1.022 110 K CB 1.828 34.256 32.500 -0.120 0.000 0.894 110 K HN -0.422 7.668 8.250 0.025 0.176 0.540 111 G N -0.785 108.045 108.800 0.051 0.000 2.466 111 G HA2 0.068 nan 3.960 nan 0.000 0.291 111 G HA3 0.068 nan 3.960 nan 0.000 0.291 111 G C -2.649 172.306 174.900 0.091 0.000 1.460 111 G CA 0.298 45.442 45.100 0.072 0.000 0.791 111 G HN -0.689 7.638 8.290 0.060 0.000 0.505 112 D N 0.505 120.961 120.400 0.093 0.000 2.304 112 D HA 0.330 nan 4.640 nan 0.000 0.247 112 D C -0.543 175.813 176.300 0.093 0.000 1.089 112 D CA 0.542 54.606 54.000 0.108 0.000 0.910 112 D CB 1.528 42.394 40.800 0.109 0.000 1.199 112 D HN -0.243 8.180 8.370 0.088 0.000 0.426 113 L N -0.329 120.964 121.223 0.116 0.000 2.334 113 L HA 0.822 nan 4.340 nan 0.000 0.276 113 L C -1.578 175.288 176.870 -0.007 0.000 1.014 113 L CA -1.265 53.575 54.840 -0.001 0.000 0.815 113 L CB 2.177 44.222 42.059 -0.023 0.000 1.268 113 L HN 0.241 8.586 8.230 0.191 0.000 0.428 114 L N 2.764 123.861 121.223 -0.209 0.000 2.377 114 L HA 0.576 nan 4.340 nan 0.000 0.270 114 L C -2.301 174.459 176.870 -0.183 0.000 0.991 114 L CA -1.135 53.647 54.840 -0.097 0.000 0.851 114 L CB 2.969 44.928 42.059 -0.166 0.000 1.218 114 L HN 0.588 8.636 8.230 -0.305 0.000 0.420 115 F N 7.471 127.571 119.950 0.250 0.000 2.405 115 F HA 0.529 nan 4.527 nan 0.000 0.355 115 F C -0.667 175.269 175.800 0.227 0.000 1.121 115 F CA -0.533 57.632 58.000 0.273 0.000 1.112 115 F CB 1.620 40.801 39.000 0.301 0.000 1.126 115 F HN 0.466 9.047 8.300 0.469 0.000 0.481 116 I N 4.172 124.904 120.570 0.269 0.000 2.389 116 I HA 0.166 nan 4.170 nan 0.000 0.288 116 I C -1.338 174.805 176.117 0.044 0.000 0.999 116 I CA -1.212 60.126 61.300 0.063 0.000 1.129 116 I CB 1.949 39.814 38.000 -0.226 0.000 1.288 116 I HN -0.282 8.091 8.210 0.271 0.000 0.444 117 D N 9.174 129.623 120.400 0.081 0.000 2.343 117 D HA 0.033 nan 4.640 nan 0.000 0.255 117 D C -1.603 174.471 176.300 -0.376 0.000 1.187 117 D CA 0.029 54.035 54.000 0.011 0.000 0.875 117 D CB 0.426 41.342 40.800 0.193 0.000 1.136 117 D HN 0.078 8.564 8.370 0.194 0.000 0.469 118 Q N -0.086 119.460 119.800 -0.422 0.000 2.527 118 Q HA 0.304 nan 4.340 nan 0.000 0.280 118 Q C -2.368 173.375 176.000 -0.428 0.000 0.977 118 Q CA -2.075 53.306 55.803 -0.703 0.000 0.837 118 Q CB 1.824 29.985 28.738 -0.962 0.000 1.454 118 Q HN -0.391 7.734 8.270 -0.242 0.000 0.387 119 P HA 0.123 nan 4.420 nan 0.000 0.323 119 P C -0.768 176.400 177.300 -0.222 0.000 1.309 119 P CA -0.943 62.007 63.100 -0.250 0.000 0.739 119 P CB 0.953 32.639 31.700 -0.024 0.000 1.454 120 T N 1.391 115.951 114.554 0.010 0.000 2.866 120 T HA -0.333 nan 4.350 nan 0.000 0.293 120 T C 0.739 175.176 174.700 -0.439 0.000 1.005 120 T CA 2.771 64.851 62.100 -0.032 0.000 1.162 120 T CB -0.697 68.249 68.868 0.130 0.000 0.968 120 T HN 0.453 8.808 8.240 0.193 0.000 0.530 121 G N 6.574 115.176 108.800 -0.330 0.000 2.218 121 G HA2 -0.343 nan 3.960 nan 0.000 0.216 121 G HA3 -0.343 nan 3.960 nan 0.000 0.216 121 G C -0.885 173.812 174.900 -0.339 0.000 0.994 121 G CA 0.305 45.114 45.100 -0.485 0.000 0.637 121 G HN 0.336 8.553 8.290 -0.123 0.000 0.505 122 T N 4.705 119.081 114.554 -0.296 0.000 2.749 122 T HA 0.331 nan 4.350 nan 0.000 0.295 122 T C 0.678 175.255 174.700 -0.204 0.000 0.936 122 T CA 0.823 62.773 62.100 -0.250 0.000 1.060 122 T CB -0.044 68.686 68.868 -0.231 0.000 0.904 122 T HN -0.565 7.425 8.240 -0.291 0.075 0.500 123 G N 8.768 117.378 108.800 -0.317 0.000 2.665 123 G HA2 -0.412 nan 3.960 nan 0.000 0.326 123 G HA3 -0.412 nan 3.960 nan 0.000 0.326 123 G C -0.120 174.552 174.900 -0.381 0.000 1.231 123 G CA 1.709 46.532 45.100 -0.461 0.000 0.992 123 G HN 0.348 8.418 8.290 -0.367 0.000 0.549 124 F N 1.894 121.797 119.950 -0.078 0.000 2.765 124 F HA 0.186 nan 4.527 nan 0.000 0.302 124 F C 0.779 176.683 175.800 0.172 0.000 1.111 124 F CA -0.928 57.000 58.000 -0.121 0.000 1.359 124 F CB 0.459 39.098 39.000 -0.603 0.000 1.097 124 F HN -0.104 8.512 8.300 -0.093 -0.371 0.577 125 S N 3.030 118.892 115.700 0.271 0.000 3.811 125 S HA 0.095 nan 4.470 nan 0.000 0.205 125 S C -1.639 173.046 174.600 0.141 0.000 1.445 125 S CA 0.577 58.913 58.200 0.226 0.000 1.097 125 S CB -1.915 61.337 63.200 0.087 0.000 1.350 125 S HN 0.047 8.367 8.310 0.133 0.069 0.471 126 V N -2.339 117.695 119.914 0.200 0.000 3.159 126 V HA 0.579 nan 4.120 nan 0.000 0.308 126 V C -0.438 175.790 176.094 0.223 0.000 1.190 126 V CA -2.012 60.387 62.300 0.164 0.000 1.037 126 V CB 3.805 35.702 31.823 0.124 0.000 1.060 126 V HN -0.268 8.031 8.190 0.328 0.088 0.437 127 E N 0.619 120.919 120.200 0.166 0.000 2.112 127 E HA -0.108 nan 4.350 nan 0.000 0.190 127 E C -0.212 176.473 176.600 0.141 0.000 0.979 127 E CA 2.408 58.904 56.400 0.160 0.000 0.814 127 E CB 0.667 30.432 29.700 0.109 0.000 0.762 127 E HN 0.557 9.003 8.360 0.143 0.000 0.460 128 Q N -5.708 114.160 119.800 0.114 0.000 2.702 128 Q HA 0.107 nan 4.340 nan 0.000 0.289 128 Q C -1.864 174.181 176.000 0.075 0.000 0.923 128 Q CA -0.632 55.220 55.803 0.082 0.000 0.787 128 Q CB 1.956 30.733 28.738 0.065 0.000 1.476 128 Q HN -0.803 7.537 8.270 0.118 0.000 0.402 129 N N -1.705 117.033 118.700 0.064 0.000 2.193 129 N HA 0.075 nan 4.740 nan 0.000 0.236 129 N C -0.462 175.149 175.510 0.169 0.000 1.347 129 N CA -0.110 52.990 53.050 0.083 0.000 0.812 129 N CB 1.113 39.581 38.487 -0.031 0.000 1.297 129 N HN 0.559 8.974 8.380 0.058 0.000 0.499 130 K N -0.829 119.644 120.400 0.120 0.000 2.217 130 K HA -0.152 nan 4.320 nan 0.000 0.202 130 K C -0.158 176.493 176.600 0.086 0.000 1.051 130 K CA 2.117 58.474 56.287 0.116 0.000 0.952 130 K CB 0.294 32.837 32.500 0.072 0.000 0.736 130 K HN -0.514 7.904 8.250 0.086 -0.116 0.453 131 D N -0.965 119.480 120.400 0.074 0.000 2.408 131 D HA 0.197 nan 4.640 nan 0.000 0.261 131 D C 0.049 176.382 176.300 0.056 0.000 1.190 131 D CA -1.014 53.016 54.000 0.051 0.000 0.910 131 D CB 0.898 41.718 40.800 0.035 0.000 1.097 131 D HN -0.586 8.068 8.370 0.078 -0.238 0.522 132 E N 5.725 125.962 120.200 0.061 0.000 2.130 132 E HA -0.306 nan 4.350 nan 0.000 0.196 132 E C 2.119 178.739 176.600 0.033 0.000 0.998 132 E CA 2.811 59.247 56.400 0.059 0.000 0.806 132 E CB -0.232 29.497 29.700 0.048 0.000 0.738 132 E HN 0.676 9.070 8.360 0.057 0.000 0.459 133 G N -2.104 106.707 108.800 0.018 0.000 2.471 133 G HA2 -0.159 nan 3.960 nan 0.000 0.219 133 G HA3 -0.159 nan 3.960 nan 0.000 0.219 133 G C 0.378 175.276 174.900 -0.003 0.000 1.125 133 G CA 1.054 46.155 45.100 0.001 0.000 0.775 133 G HN 0.021 8.306 8.290 0.019 0.016 0.548 134 K N -1.258 119.148 120.400 0.011 0.000 2.365 134 K HA -0.108 nan 4.320 nan 0.000 0.197 134 K C 0.167 176.773 176.600 0.010 0.000 1.042 134 K CA -0.401 55.892 56.287 0.010 0.000 0.987 134 K CB 0.292 32.805 32.500 0.021 0.000 0.779 134 K HN -0.500 7.702 8.250 0.021 0.062 0.484 135 I N 1.868 122.451 120.570 0.022 0.000 2.578 135 I HA -0.312 nan 4.170 nan 0.000 0.286 135 I C -0.705 175.379 176.117 -0.056 0.000 1.126 135 I CA 0.647 61.968 61.300 0.035 0.000 1.380 135 I CB -0.249 37.809 38.000 0.098 0.000 1.408 135 I HN -0.743 7.329 8.210 0.028 0.154 0.532 136 D N 8.076 128.433 120.400 -0.072 0.000 2.344 136 D HA -0.035 nan 4.640 nan 0.000 0.253 136 D C 0.384 176.420 176.300 -0.440 0.000 1.255 136 D CA -0.582 53.316 54.000 -0.169 0.000 0.894 136 D CB 0.368 41.117 40.800 -0.085 0.000 1.067 136 D HN 0.229 8.594 8.370 -0.008 0.000 0.492 137 K N 5.011 125.039 120.400 -0.620 0.000 2.574 137 K HA -0.138 nan 4.320 nan 0.000 0.193 137 K C 0.769 176.949 176.600 -0.700 0.000 1.035 137 K CA 1.761 57.356 56.287 -1.152 0.000 0.982 137 K CB -0.311 31.788 32.500 -0.668 0.000 0.795 137 K HN 0.264 8.275 8.250 -0.399 0.000 0.491 138 N N -1.906 116.581 118.700 -0.354 0.000 2.424 138 N HA -0.003 nan 4.740 nan 0.000 0.178 138 N C 0.653 176.130 175.510 -0.055 0.000 1.060 138 N CA 1.380 54.337 53.050 -0.154 0.000 0.901 138 N CB 0.392 38.822 38.487 -0.095 0.000 0.979 138 N HN -0.662 7.665 8.380 -0.315 -0.136 0.451 139 K N -1.478 118.895 120.400 -0.045 0.000 2.459 139 K HA 0.028 nan 4.320 nan 0.000 0.193 139 K C -0.603 176.189 176.600 0.319 0.000 1.030 139 K CA -0.536 55.823 56.287 0.120 0.000 1.026 139 K CB 0.321 32.897 32.500 0.126 0.000 0.809 139 K HN -0.588 7.411 8.250 -0.171 0.148 0.504 140 F N -0.504 119.474 119.950 0.047 0.000 2.459 140 F HA -0.111 nan 4.527 nan 0.000 0.346 140 F C 0.275 176.111 175.800 0.061 0.000 1.128 140 F CA -0.718 57.313 58.000 0.052 0.000 1.268 140 F CB 0.251 39.260 39.000 0.015 0.000 1.161 140 F HN -1.042 7.256 8.300 0.109 0.067 0.583 141 D N 1.579 122.129 120.400 0.250 0.000 2.382 141 D HA 0.019 nan 4.640 nan 0.000 0.245 141 D C -1.050 175.303 176.300 0.090 0.000 1.120 141 D CA 0.422 54.508 54.000 0.143 0.000 0.890 141 D CB 0.629 41.490 40.800 0.103 0.000 1.201 141 D HN -0.033 8.464 8.370 0.212 0.000 0.433 142 E N 0.642 120.870 120.200 0.046 0.000 2.413 142 E HA 0.074 nan 4.350 nan 0.000 0.203 142 E C -1.320 175.261 176.600 -0.032 0.000 0.957 142 E CA 0.678 57.084 56.400 0.009 0.000 0.950 142 E CB 1.782 31.488 29.700 0.010 0.000 0.957 142 E HN 0.378 8.762 8.360 0.040 0.000 0.497 143 D N -2.842 117.542 120.400 -0.028 0.000 2.601 143 D HA 0.382 nan 4.640 nan 0.000 0.230 143 D C 0.197 176.463 176.300 -0.056 0.000 1.106 143 D CA -1.277 52.693 54.000 -0.049 0.000 0.873 143 D CB 2.602 43.395 40.800 -0.013 0.000 1.515 143 D HN -0.794 7.688 8.370 -0.013 -0.120 0.468 144 L N 1.741 122.885 121.223 -0.130 0.000 2.261 144 L HA -0.378 nan 4.340 nan 0.000 0.216 144 L C 1.328 178.165 176.870 -0.055 0.000 1.114 144 L CA 3.182 57.897 54.840 -0.209 0.000 0.777 144 L CB -0.076 41.534 42.059 -0.750 0.000 0.910 144 L HN 0.357 8.745 8.230 -0.163 -0.256 0.440 145 E N -1.128 119.090 120.200 0.031 0.000 2.150 145 E HA -0.345 nan 4.350 nan 0.000 0.193 145 E C 2.113 178.743 176.600 0.049 0.000 0.985 145 E CA 2.877 59.354 56.400 0.128 0.000 0.814 145 E CB -0.685 29.096 29.700 0.136 0.000 0.752 145 E HN -0.147 8.464 8.360 0.010 -0.245 0.466 146 D N 0.192 120.571 120.400 -0.035 0.000 2.162 146 D HA -0.082 nan 4.640 nan 0.000 0.203 146 D C 2.376 178.505 176.300 -0.285 0.000 0.967 146 D CA 2.663 56.542 54.000 -0.202 0.000 0.840 146 D CB 0.020 40.710 40.800 -0.183 0.000 0.972 146 D HN -0.399 7.835 8.370 -0.021 0.123 0.482 147 V N 0.369 120.258 119.914 -0.041 0.000 2.358 147 V HA -0.353 nan 4.120 nan 0.000 0.246 147 V C 2.217 178.412 176.094 0.168 0.000 1.047 147 V CA 4.615 66.981 62.300 0.109 0.000 1.035 147 V CB -0.802 31.140 31.823 0.198 0.000 0.658 147 V HN -0.221 7.890 8.190 -0.006 0.075 0.452 148 T N 2.083 116.779 114.554 0.237 0.000 2.777 148 T HA -0.281 nan 4.350 nan 0.000 0.266 148 T C 1.663 176.430 174.700 0.112 0.000 1.040 148 T CA 4.647 66.892 62.100 0.241 0.000 1.141 148 T CB -0.567 68.563 68.868 0.436 0.000 0.868 148 T HN 0.199 8.459 8.240 0.209 0.105 0.444 149 K N 1.149 121.595 120.400 0.077 0.000 2.063 149 K HA -0.323 nan 4.320 nan 0.000 0.208 149 K C 2.400 179.074 176.600 0.124 0.000 1.048 149 K CA 2.859 59.188 56.287 0.070 0.000 0.928 149 K CB -0.424 32.079 32.500 0.006 0.000 0.713 149 K HN -0.330 7.949 8.250 0.049 0.000 0.442 150 H N -1.007 118.090 119.070 0.045 0.000 2.423 150 H HA -0.252 nan 4.556 nan 0.000 0.297 150 H C 2.433 177.741 175.328 -0.034 0.000 1.075 150 H CA 2.189 58.227 56.048 -0.018 0.000 1.342 150 H CB 0.219 29.996 29.762 0.026 0.000 1.395 150 H HN -0.396 7.860 8.280 -0.033 0.004 0.530 151 F N 2.174 122.082 119.950 -0.070 0.000 2.146 151 F HA -0.357 nan 4.527 nan 0.000 0.298 151 F C 0.996 176.736 175.800 -0.100 0.000 1.096 151 F CA 3.243 61.096 58.000 -0.245 0.000 1.275 151 F CB 0.200 38.551 39.000 -1.081 0.000 1.008 151 F HN -0.203 8.080 8.300 0.135 0.099 0.480 152 M N -2.466 117.107 119.600 -0.044 0.000 2.229 152 M HA -0.353 nan 4.480 nan 0.000 0.264 152 M C 2.332 178.613 176.300 -0.033 0.000 1.063 152 M CA 1.368 56.657 55.300 -0.017 0.000 1.114 152 M CB -1.821 30.847 32.600 0.113 0.000 1.387 152 M HN -0.043 8.286 8.290 0.066 0.000 0.420 153 D N 0.575 120.965 120.400 -0.017 0.000 2.097 153 D HA -0.233 nan 4.640 nan 0.000 0.197 153 D C 2.222 178.452 176.300 -0.116 0.000 0.984 153 D CA 3.225 57.202 54.000 -0.039 0.000 0.826 153 D CB -0.442 40.337 40.800 -0.034 0.000 0.973 153 D HN -0.367 7.893 8.370 0.018 0.122 0.460 154 F N 1.338 121.094 119.950 -0.323 0.000 2.069 154 F HA -0.388 nan 4.527 nan 0.000 0.298 154 F C 1.400 176.979 175.800 -0.368 0.000 1.113 154 F CA 3.468 61.249 58.000 -0.366 0.000 1.214 154 F CB 0.282 39.052 39.000 -0.382 0.000 0.978 154 F HN -0.382 7.880 8.300 -0.063 0.000 0.474 155 L N -2.580 118.375 121.223 -0.447 0.000 2.042 155 L HA -0.564 nan 4.340 nan 0.000 0.210 155 L C 1.886 178.585 176.870 -0.285 0.000 1.076 155 L CA 3.207 57.704 54.840 -0.571 0.000 0.749 155 L CB -0.726 41.016 42.059 -0.528 0.000 0.893 155 L HN -0.168 7.848 8.230 -0.356 0.000 0.432 156 E N -0.376 119.777 120.200 -0.078 0.000 2.058 156 E HA -0.466 nan 4.350 nan 0.000 0.194 156 E C 2.625 179.202 176.600 -0.037 0.000 0.997 156 E CA 3.416 59.857 56.400 0.070 0.000 0.801 156 E CB -0.257 29.482 29.700 0.066 0.000 0.746 156 E HN -0.395 7.909 8.360 -0.094 0.000 0.450 157 N N -1.773 116.817 118.700 -0.184 0.000 2.300 157 N HA -0.196 nan 4.740 nan 0.000 0.179 157 N C 2.108 177.415 175.510 -0.339 0.000 1.016 157 N CA 2.239 55.154 53.050 -0.225 0.000 0.876 157 N CB -0.041 38.305 38.487 -0.235 0.000 0.979 157 N HN -0.753 7.491 8.380 -0.227 0.000 0.432 158 Y N 2.696 122.574 120.300 -0.703 0.000 2.181 158 Y HA -0.416 nan 4.550 nan 0.000 0.288 158 Y C 1.647 177.277 175.900 -0.451 0.000 1.146 158 Y CA 4.215 61.817 58.100 -0.830 0.000 1.164 158 Y CB 0.124 37.744 38.460 -1.400 0.000 0.982 158 Y HN 0.024 7.855 8.280 -0.598 0.091 0.515 159 F N -5.006 114.794 119.950 -0.250 0.000 2.502 159 F HA -0.221 nan 4.527 nan 0.000 0.298 159 F C 0.921 176.620 175.800 -0.169 0.000 1.111 159 F CA 2.015 59.902 58.000 -0.189 0.000 1.445 159 F CB -0.475 38.480 39.000 -0.075 0.000 1.081 159 F HN -0.043 8.098 8.300 -0.265 0.000 0.558 160 K N -2.191 118.189 120.400 -0.033 0.000 2.243 160 K HA -0.094 nan 4.320 nan 0.000 0.201 160 K C 0.794 177.294 176.600 -0.166 0.000 1.051 160 K CA 1.839 58.087 56.287 -0.065 0.000 0.970 160 K CB 0.291 32.755 32.500 -0.061 0.000 0.755 160 K HN -0.768 7.266 8.250 -0.091 0.161 0.465 161 I N -3.006 117.385 120.570 -0.299 0.000 2.480 161 I HA -0.203 nan 4.170 nan 0.000 0.251 161 I C 0.202 175.868 176.117 -0.751 0.000 1.124 161 I CA 2.507 63.502 61.300 -0.509 0.000 1.444 161 I CB 1.130 38.767 38.000 -0.606 0.000 1.098 161 I HN -0.771 7.139 8.210 -0.309 0.115 0.428 162 F N -2.922 116.752 119.950 -0.459 0.000 2.471 162 F HA 0.414 nan 4.527 nan 0.000 0.318 162 F C -2.135 173.568 175.800 -0.161 0.000 1.308 162 F CA -2.673 55.087 58.000 -0.400 0.000 1.162 162 F CB -0.624 37.934 39.000 -0.738 0.000 1.383 162 F HN -0.428 7.653 8.300 -0.365 0.000 0.552 163 P HA -0.217 nan 4.420 nan 0.000 0.219 163 P C 0.373 177.719 177.300 0.076 0.000 1.146 163 P CA 2.274 65.408 63.100 0.057 0.000 0.808 163 P CB -0.252 31.451 31.700 0.004 0.000 0.779 164 E N -2.848 117.406 120.200 0.089 0.000 2.106 164 E HA -0.275 nan 4.350 nan 0.000 0.192 164 E C 1.359 178.028 176.600 0.115 0.000 0.984 164 E CA 2.267 58.721 56.400 0.089 0.000 0.806 164 E CB -1.437 28.319 29.700 0.093 0.000 0.750 164 E HN 0.449 8.813 8.360 0.086 0.048 0.458 165 D N 0.904 121.416 120.400 0.186 0.000 2.310 165 D HA -0.127 nan 4.640 nan 0.000 0.212 165 D C 2.269 178.695 176.300 0.210 0.000 0.965 165 D CA 2.295 56.446 54.000 0.252 0.000 0.879 165 D CB -0.598 40.428 40.800 0.377 0.000 0.921 165 D HN -0.405 8.088 8.370 0.205 0.000 0.510 166 L N -2.022 119.228 121.223 0.045 0.000 2.353 166 L HA -0.139 nan 4.340 nan 0.000 0.220 166 L C 0.337 177.110 176.870 -0.161 0.000 1.133 166 L CA 2.001 56.615 54.840 -0.376 0.000 0.798 166 L CB 0.116 41.985 42.059 -0.315 0.000 0.922 166 L HN -0.706 7.452 8.230 0.137 0.154 0.445 167 T N -7.416 107.119 114.554 -0.031 0.000 3.054 167 T HA 0.152 nan 4.350 nan 0.000 0.255 167 T C 0.668 175.387 174.700 0.032 0.000 1.035 167 T CA -0.948 61.153 62.100 0.001 0.000 0.941 167 T CB 0.044 68.921 68.868 0.015 0.000 1.026 167 T HN -0.694 7.494 8.240 0.011 0.059 0.533 168 R N 2.134 122.666 120.500 0.053 0.000 2.546 168 R HA 0.188 nan 4.340 nan 0.000 0.266 168 R C -0.810 175.538 176.300 0.080 0.000 1.086 168 R CA -0.886 55.259 56.100 0.075 0.000 1.160 168 R CB 1.430 31.791 30.300 0.102 0.000 1.138 168 R HN -0.430 7.689 8.270 0.054 0.184 0.567 169 K N -0.295 120.156 120.400 0.085 0.000 2.322 169 K HA 0.105 nan 4.320 nan 0.000 0.283 169 K C -0.580 176.079 176.600 0.099 0.000 1.042 169 K CA 0.240 56.583 56.287 0.095 0.000 0.958 169 K CB 0.476 33.040 32.500 0.106 0.000 0.984 169 K HN 0.304 8.603 8.250 0.082 0.000 0.473 170 I N 3.724 124.354 120.570 0.099 0.000 2.441 170 I HA 0.694 nan 4.170 nan 0.000 0.295 170 I C -1.358 174.791 176.117 0.053 0.000 0.994 170 I CA -1.051 60.307 61.300 0.097 0.000 1.144 170 I CB 2.633 40.715 38.000 0.136 0.000 1.314 170 I HN 0.169 8.439 8.210 0.100 0.000 0.445 171 I N 4.520 125.112 120.570 0.036 0.000 2.466 171 I HA 0.570 nan 4.170 nan 0.000 0.289 171 I C -1.694 174.438 176.117 0.023 0.000 1.026 171 I CA -1.209 60.078 61.300 -0.022 0.000 1.078 171 I CB 3.082 41.046 38.000 -0.060 0.000 1.249 171 I HN 0.421 8.666 8.210 0.058 0.000 0.429 172 L N 6.924 128.149 121.223 0.003 0.000 2.265 172 L HA 0.554 nan 4.340 nan 0.000 0.289 172 L C -1.257 175.592 176.870 -0.036 0.000 1.033 172 L CA -0.843 54.000 54.840 0.005 0.000 0.814 172 L CB -0.065 41.999 42.059 0.007 0.000 1.203 172 L HN 0.395 8.606 8.230 -0.030 0.000 0.423 173 S N 2.106 117.777 115.700 -0.048 0.000 2.634 173 S HA 0.940 nan 4.470 nan 0.000 0.296 173 S C -0.904 173.370 174.600 -0.544 0.000 1.104 173 S CA -2.019 56.110 58.200 -0.119 0.000 0.920 173 S CB 3.185 66.512 63.200 0.212 0.000 1.111 173 S HN 0.828 9.122 8.310 -0.027 0.000 0.493 174 G N -1.868 106.402 108.800 -0.883 0.000 2.336 174 G HA2 0.293 nan 3.960 nan 0.000 0.286 174 G HA3 0.293 nan 3.960 nan 0.000 0.286 174 G C -3.342 171.060 174.900 -0.831 0.000 1.269 174 G CA 0.868 45.232 45.100 -1.226 0.000 0.873 174 G HN 0.165 8.094 8.290 -0.603 0.000 0.494 175 E N -2.848 117.044 120.200 -0.515 0.000 2.437 175 E HA 0.747 nan 4.350 nan 0.000 0.280 175 E C -0.475 176.009 176.600 -0.193 0.000 1.044 175 E CA -1.334 54.859 56.400 -0.344 0.000 0.826 175 E CB 3.740 33.305 29.700 -0.225 0.000 1.358 175 E HN -0.205 7.899 8.360 -0.426 0.000 0.459 176 S N 0.424 116.024 115.700 -0.166 0.000 4.114 176 S HA -0.454 nan 4.470 nan 0.000 0.618 176 S C 0.631 175.249 174.600 0.030 0.000 1.937 176 S CA 2.737 60.962 58.200 0.041 0.000 4.228 176 S CB -1.150 62.161 63.200 0.186 0.000 0.216 176 S HN 0.342 8.491 8.310 -0.270 0.000 0.528 177 Y N 5.223 125.467 120.300 -0.093 0.000 2.569 177 Y HA -0.231 nan 4.550 nan 0.000 0.293 177 Y C 0.809 176.391 175.900 -0.530 0.000 1.144 177 Y CA 2.271 60.218 58.100 -0.256 0.000 1.321 177 Y CB -0.354 37.884 38.460 -0.369 0.000 0.982 177 Y HN 0.257 8.638 8.280 0.170 0.000 0.558 178 A N -0.795 121.854 122.820 -0.285 0.000 2.172 178 A HA -0.255 nan 4.320 nan 0.000 0.216 178 A C 1.707 179.093 177.584 -0.331 0.000 1.154 178 A CA 2.114 54.000 52.037 -0.252 0.000 0.701 178 A CB -1.345 17.559 19.000 -0.160 0.000 0.789 178 A HN 0.216 8.133 8.150 -0.136 0.151 0.465 179 G N -2.631 105.974 108.800 -0.324 0.000 2.470 179 G HA2 -0.289 nan 3.960 nan 0.000 0.220 179 G HA3 -0.289 nan 3.960 nan 0.000 0.220 179 G C 0.560 175.268 174.900 -0.321 0.000 1.121 179 G CA 1.666 46.595 45.100 -0.285 0.000 0.766 179 G HN 0.179 8.118 8.290 -0.284 0.180 0.553 180 Q N -0.161 119.350 119.800 -0.483 0.000 2.178 180 Q HA 0.042 nan 4.340 nan 0.000 0.195 180 Q C 2.046 177.872 176.000 -0.290 0.000 0.960 180 Q CA 1.596 57.146 55.803 -0.423 0.000 0.843 180 Q CB 0.561 28.801 28.738 -0.830 0.000 0.927 180 Q HN -0.304 7.406 8.270 -0.639 0.177 0.487 181 Y N 0.099 120.112 120.300 -0.479 0.000 2.030 181 Y HA -0.391 nan 4.550 nan 0.000 0.274 181 Y C 2.505 177.746 175.900 -1.098 0.000 1.153 181 Y CA 2.586 60.123 58.100 -0.938 0.000 1.115 181 Y CB -1.055 36.837 38.460 -0.947 0.000 0.969 181 Y HN -0.710 7.130 8.280 -0.734 0.000 0.488 182 I N -2.459 117.793 120.570 -0.530 0.000 2.113 182 I HA -0.501 nan 4.170 nan 0.000 0.242 182 I C -0.798 175.201 176.117 -0.196 0.000 1.057 182 I CA 5.720 66.803 61.300 -0.362 0.000 1.314 182 I CB -2.798 35.051 38.000 -0.251 0.000 1.022 182 I HN -0.182 7.799 8.210 -0.381 0.000 0.408 183 P HA -0.213 nan 4.420 nan 0.000 0.217 183 P C 1.646 178.894 177.300 -0.088 0.000 1.150 183 P CA 3.376 66.394 63.100 -0.136 0.000 0.832 183 P CB -0.363 31.220 31.700 -0.194 0.000 0.787 184 F N -2.278 117.592 119.950 -0.134 0.000 2.113 184 F HA -0.315 nan 4.527 nan 0.000 0.297 184 F C 2.099 178.033 175.800 0.223 0.000 1.103 184 F CA 4.272 62.287 58.000 0.025 0.000 1.248 184 F CB -0.113 38.921 39.000 0.056 0.000 0.999 184 F HN -0.904 7.526 8.300 0.217 0.000 0.475 185 F N -1.413 118.623 119.950 0.143 0.000 2.134 185 F HA -0.371 nan 4.527 nan 0.000 0.299 185 F C 2.311 178.181 175.800 0.117 0.000 1.097 185 F CA 0.666 58.708 58.000 0.071 0.000 1.264 185 F CB -1.758 37.056 39.000 -0.310 0.000 1.001 185 F HN 0.162 8.526 8.300 0.107 0.000 0.479 186 A N -1.286 121.675 122.820 0.235 0.000 1.902 186 A HA -0.404 nan 4.320 nan 0.000 0.217 186 A C 1.957 179.615 177.584 0.125 0.000 1.181 186 A CA 3.268 55.394 52.037 0.148 0.000 0.623 186 A CB -0.920 18.106 19.000 0.043 0.000 0.818 186 A HN 0.535 8.782 8.150 0.163 0.000 0.443 187 N N -1.533 117.216 118.700 0.083 0.000 2.188 187 N HA -0.265 nan 4.740 nan 0.000 0.184 187 N C 1.867 177.444 175.510 0.111 0.000 1.018 187 N CA 3.046 56.124 53.050 0.046 0.000 0.858 187 N CB 0.252 38.705 38.487 -0.056 0.000 0.989 187 N HN -0.338 8.084 8.380 0.069 0.000 0.426 188 A N 0.344 123.276 122.820 0.186 0.000 1.933 188 A HA -0.224 nan 4.320 nan 0.000 0.218 188 A C 2.303 180.018 177.584 0.218 0.000 1.175 188 A CA 2.902 55.066 52.037 0.212 0.000 0.628 188 A CB -0.652 18.513 19.000 0.275 0.000 0.814 188 A HN -0.234 7.976 8.150 0.227 0.076 0.444 189 I N -1.519 119.198 120.570 0.244 0.000 2.252 189 I HA -0.517 nan 4.170 nan 0.000 0.245 189 I C 1.742 177.968 176.117 0.181 0.000 1.102 189 I CA 3.979 65.427 61.300 0.246 0.000 1.385 189 I CB -0.030 38.162 38.000 0.320 0.000 1.064 189 I HN -0.369 7.895 8.210 0.260 0.102 0.414 190 L N -1.601 119.706 121.223 0.139 0.000 2.131 190 L HA -0.454 nan 4.340 nan 0.000 0.210 190 L C 2.241 179.155 176.870 0.073 0.000 1.092 190 L CA 3.078 57.974 54.840 0.093 0.000 0.759 190 L CB -0.765 41.333 42.059 0.065 0.000 0.903 190 L HN -0.418 7.896 8.230 0.140 0.000 0.435 191 N N -1.946 116.807 118.700 0.087 0.000 2.354 191 N HA -0.242 nan 4.740 nan 0.000 0.179 191 N C 1.767 177.308 175.510 0.052 0.000 1.021 191 N CA 3.224 56.311 53.050 0.063 0.000 0.887 191 N CB 0.190 38.721 38.487 0.072 0.000 0.974 191 N HN -0.544 7.795 8.380 0.109 0.106 0.437 192 H N 1.815 120.872 119.070 -0.023 0.000 2.389 192 H HA -0.176 nan 4.556 nan 0.000 0.299 192 H C 1.773 177.017 175.328 -0.140 0.000 1.081 192 H CA 4.125 60.119 56.048 -0.091 0.000 1.345 192 H CB 0.333 30.003 29.762 -0.152 0.000 1.393 192 H HN -0.312 7.957 8.280 0.197 0.128 0.520 193 N N -1.904 116.775 118.700 -0.034 0.000 2.459 193 N HA -0.211 nan 4.740 nan 0.000 0.181 193 N C 0.807 176.256 175.510 -0.102 0.000 1.046 193 N CA 1.609 54.610 53.050 -0.082 0.000 0.904 193 N CB -0.536 37.961 38.487 0.017 0.000 0.964 193 N HN -0.239 8.101 8.380 0.093 0.096 0.444 194 K N -1.779 118.574 120.400 -0.079 0.000 2.005 194 K HA -0.155 nan 4.320 nan 0.000 0.206 194 K C 1.467 178.012 176.600 -0.091 0.000 1.044 194 K CA 1.736 57.986 56.287 -0.060 0.000 0.942 194 K CB 0.221 32.703 32.500 -0.030 0.000 0.727 194 K HN -0.643 7.399 8.250 -0.058 0.173 0.439 195 F N -3.116 116.763 119.950 -0.118 0.000 2.558 195 F HA 0.025 nan 4.527 nan 0.000 0.298 195 F C 0.259 175.952 175.800 -0.178 0.000 1.119 195 F CA -0.484 57.442 58.000 -0.123 0.000 1.451 195 F CB -0.180 38.760 39.000 -0.101 0.000 1.091 195 F HN -0.699 7.532 8.300 -0.115 0.000 0.563 196 S N -0.232 115.296 115.700 -0.287 0.000 2.519 196 S HA -0.133 nan 4.470 nan 0.000 0.310 196 S C 0.506 175.004 174.600 -0.170 0.000 1.201 196 S CA 0.257 58.268 58.200 -0.315 0.000 1.179 196 S CB -1.304 61.604 63.200 -0.486 0.000 1.104 196 S HN -0.356 7.718 8.310 -0.325 0.040 0.527 197 K N 5.562 125.888 120.400 -0.124 0.000 2.097 197 K HA -0.145 nan 4.320 nan 0.000 0.205 197 K C 0.126 176.686 176.600 -0.066 0.000 1.050 197 K CA 1.084 57.324 56.287 -0.078 0.000 0.938 197 K CB -0.119 32.346 32.500 -0.059 0.000 0.718 197 K HN 0.301 8.474 8.250 -0.129 0.000 0.442 198 I N -1.118 119.409 120.570 -0.071 0.000 2.517 198 I HA -0.088 nan 4.170 nan 0.000 0.285 198 I C 0.926 177.012 176.117 -0.053 0.000 1.106 198 I CA -0.016 61.253 61.300 -0.051 0.000 1.402 198 I CB 0.353 38.330 38.000 -0.040 0.000 1.399 198 I HN -0.575 7.564 8.210 -0.088 0.018 0.535 199 D N 9.122 129.500 120.400 -0.037 0.000 2.264 199 D HA -0.129 nan 4.640 nan 0.000 0.208 199 D C 1.272 177.557 176.300 -0.024 0.000 0.966 199 D CA 1.984 55.966 54.000 -0.031 0.000 0.864 199 D CB -0.261 40.526 40.800 -0.021 0.000 0.933 199 D HN 0.606 8.958 8.370 -0.031 0.000 0.499 200 G N -3.667 105.121 108.800 -0.021 0.000 3.523 200 G HA2 -0.039 nan 3.960 nan 0.000 0.270 200 G HA3 -0.039 nan 3.960 nan 0.000 0.270 200 G C -1.262 173.629 174.900 -0.015 0.000 1.134 200 G CA 0.265 45.356 45.100 -0.016 0.000 0.825 200 G HN -0.011 8.234 8.290 -0.021 0.032 0.534 201 D N -0.160 120.231 120.400 -0.015 0.000 2.417 201 D HA 0.171 nan 4.640 nan 0.000 0.207 201 D C -0.560 175.757 176.300 0.028 0.000 1.075 201 D CA -0.257 53.753 54.000 0.016 0.000 0.851 201 D CB 1.481 42.279 40.800 -0.003 0.000 0.976 201 D HN -0.609 7.656 8.370 -0.030 0.086 0.505 202 T N -3.020 111.524 114.554 -0.016 0.000 2.918 202 T HA -0.036 nan 4.350 nan 0.000 0.302 202 T C 0.383 175.119 174.700 0.060 0.000 1.045 202 T CA -0.632 61.452 62.100 -0.025 0.000 1.114 202 T CB 0.250 69.107 68.868 -0.018 0.000 0.965 202 T HN -0.826 7.399 8.240 -0.026 0.000 0.540 203 Y N 0.709 121.013 120.300 0.007 0.000 2.385 203 Y HA 0.027 nan 4.550 nan 0.000 0.341 203 Y C -0.035 175.872 175.900 0.011 0.000 0.965 203 Y CA -3.732 54.325 58.100 -0.071 0.000 1.180 203 Y CB 0.232 38.670 38.460 -0.036 0.000 1.139 203 Y HN 0.078 8.602 8.280 -0.096 -0.302 0.502 204 D N 6.733 127.223 120.400 0.149 0.000 2.767 204 D HA -0.065 nan 4.640 nan 0.000 0.231 204 D C -0.662 175.710 176.300 0.121 0.000 1.105 204 D CA -1.074 52.993 54.000 0.112 0.000 1.024 204 D CB -0.881 39.967 40.800 0.080 0.000 1.123 204 D HN 0.523 8.961 8.370 0.113 0.000 0.470 205 L N 1.167 122.475 121.223 0.141 0.000 2.513 205 L HA -0.057 nan 4.340 nan 0.000 0.272 205 L C -0.614 176.306 176.870 0.083 0.000 1.187 205 L CA 1.004 55.915 54.840 0.119 0.000 0.895 205 L CB 0.551 42.693 42.059 0.138 0.000 1.147 205 L HN -0.107 8.157 8.230 0.164 0.064 0.483 206 K N 4.121 124.551 120.400 0.050 0.000 2.424 206 K HA 0.230 nan 4.320 nan 0.000 0.198 206 K C -1.155 175.413 176.600 -0.054 0.000 1.190 206 K CA 0.252 56.572 56.287 0.054 0.000 0.935 206 K CB 2.237 34.821 32.500 0.140 0.000 1.087 206 K HN 0.924 9.192 8.250 0.030 0.000 0.524 207 A N -3.054 119.640 122.820 -0.210 0.000 2.609 207 A HA 0.762 nan 4.320 nan 0.000 0.291 207 A C -2.817 174.639 177.584 -0.212 0.000 1.096 207 A CA -0.577 51.257 52.037 -0.338 0.000 0.684 207 A CB 3.336 21.733 19.000 -1.005 0.000 1.282 207 A HN -0.736 7.320 8.150 -0.158 0.000 0.412 208 L N -1.395 119.730 121.223 -0.164 0.000 2.372 208 L HA 0.709 nan 4.340 nan 0.000 0.274 208 L C -1.538 175.291 176.870 -0.067 0.000 0.988 208 L CA -0.952 53.825 54.840 -0.105 0.000 0.833 208 L CB 2.184 44.184 42.059 -0.100 0.000 1.236 208 L HN 0.464 8.597 8.230 -0.161 0.000 0.410 209 L N 3.985 125.208 121.223 -0.001 0.000 2.301 209 L HA 0.597 nan 4.340 nan 0.000 0.278 209 L C -1.458 175.501 176.870 0.148 0.000 1.022 209 L CA -0.817 54.135 54.840 0.187 0.000 0.854 209 L CB 0.470 42.720 42.059 0.318 0.000 1.226 209 L HN 0.839 8.952 8.230 -0.015 0.108 0.429 210 I N 3.256 123.787 120.570 -0.065 0.000 2.355 210 I HA 0.408 nan 4.170 nan 0.000 0.288 210 I C -0.685 174.891 176.117 -0.901 0.000 0.999 210 I CA -1.458 59.613 61.300 -0.381 0.000 1.163 210 I CB 1.566 39.392 38.000 -0.289 0.000 1.316 210 I HN 0.653 8.852 8.210 -0.018 0.000 0.454 211 G N 4.603 112.647 108.800 -1.260 0.000 2.322 211 G HA2 0.268 nan 3.960 nan 0.000 0.309 211 G HA3 0.268 nan 3.960 nan 0.000 0.309 211 G C -1.185 173.335 174.900 -0.632 0.000 1.121 211 G CA -1.379 42.809 45.100 -1.520 0.000 0.886 211 G HN 0.788 8.552 8.290 -0.878 0.000 0.447 212 N N 3.251 121.700 118.700 -0.418 0.000 2.689 212 N HA -0.582 nan 4.740 nan 0.000 0.263 212 N C -0.427 175.002 175.510 -0.136 0.000 0.987 212 N CA 1.564 54.503 53.050 -0.185 0.000 0.782 212 N CB -0.968 37.412 38.487 -0.180 0.000 0.903 212 N HN 0.458 8.638 8.380 -0.444 -0.066 0.547 213 G N -4.216 104.500 108.800 -0.141 0.000 2.420 213 G HA2 0.069 nan 3.960 nan 0.000 0.284 213 G HA3 0.069 nan 3.960 nan 0.000 0.284 213 G C -1.276 173.659 174.900 0.059 0.000 1.177 213 G CA -1.171 43.879 45.100 -0.083 0.000 0.841 213 G HN -0.178 8.000 8.290 -0.187 0.000 0.527 214 W N 5.581 126.794 121.300 -0.146 0.000 2.360 214 W HA 0.069 nan 4.660 nan 0.000 0.344 214 W C -1.847 174.544 176.519 -0.214 0.000 1.025 214 W CA -0.500 56.769 57.345 -0.127 0.000 1.480 214 W CB -0.303 29.107 29.460 -0.085 0.000 1.350 214 W HN 0.214 8.369 8.180 0.149 0.115 0.382 215 I N 4.161 124.503 120.570 -0.380 0.000 3.565 215 I HA 0.004 nan 4.170 nan 0.000 0.287 215 I C -1.290 174.546 176.117 -0.468 0.000 1.193 215 I CA 1.353 62.427 61.300 -0.376 0.000 1.402 215 I CB 1.770 39.604 38.000 -0.276 0.000 1.284 215 I HN 0.216 8.535 8.210 -0.368 -0.330 0.454 216 D N -0.474 119.586 120.400 -0.566 0.000 2.404 216 D HA 0.500 nan 4.640 nan 0.000 0.267 216 D C -2.102 173.759 176.300 -0.732 0.000 1.194 216 D CA -3.391 50.295 54.000 -0.522 0.000 0.910 216 D CB 0.487 41.077 40.800 -0.351 0.000 1.090 216 D HN -0.412 7.947 8.370 -0.580 -0.337 0.511 217 P HA -0.283 nan 4.420 nan 0.000 0.216 217 P C 1.134 178.187 177.300 -0.412 0.000 1.154 217 P CA 2.365 64.908 63.100 -0.930 0.000 0.865 217 P CB 0.463 31.910 31.700 -0.421 0.000 0.789 218 N N -2.943 115.591 118.700 -0.278 0.000 2.058 218 N HA -0.210 nan 4.740 nan 0.000 0.191 218 N C 2.283 177.703 175.510 -0.150 0.000 1.037 218 N CA 2.983 55.959 53.050 -0.122 0.000 0.848 218 N CB -0.505 37.938 38.487 -0.074 0.000 1.021 218 N HN -0.139 8.108 8.380 -0.328 -0.064 0.422 219 T N 2.625 117.056 114.554 -0.204 0.000 2.821 219 T HA -0.166 nan 4.350 nan 0.000 0.267 219 T C 1.432 176.007 174.700 -0.208 0.000 1.046 219 T CA 3.656 65.650 62.100 -0.178 0.000 1.139 219 T CB -0.364 68.399 68.868 -0.176 0.000 0.871 219 T HN -0.562 7.800 8.240 -0.242 -0.267 0.454 220 Q N -0.729 118.885 119.800 -0.310 0.000 2.230 220 Q HA -0.180 nan 4.340 nan 0.000 0.202 220 Q C 2.821 178.586 176.000 -0.392 0.000 0.963 220 Q CA 2.511 58.115 55.803 -0.331 0.000 0.866 220 Q CB 0.060 28.563 28.738 -0.392 0.000 0.931 220 Q HN 0.015 8.052 8.270 -0.389 0.000 0.452 221 S N 1.267 116.826 115.700 -0.235 0.000 2.436 221 S HA -0.159 nan 4.470 nan 0.000 0.228 221 S C 1.801 176.353 174.600 -0.079 0.000 1.014 221 S CA 3.203 61.338 58.200 -0.109 0.000 0.950 221 S CB -0.178 63.126 63.200 0.174 0.000 0.784 221 S HN -0.263 7.896 8.310 -0.212 0.024 0.504 222 L N -0.246 120.932 121.223 -0.075 0.000 2.552 222 L HA -0.100 nan 4.340 nan 0.000 0.227 222 L C 0.465 177.412 176.870 0.129 0.000 1.146 222 L CA 1.679 56.540 54.840 0.035 0.000 0.858 222 L CB -0.273 41.767 42.059 -0.031 0.000 0.969 222 L HN -0.542 7.502 8.230 -0.116 0.116 0.451 223 S N -0.749 114.917 115.700 -0.056 0.000 2.503 223 S HA -0.090 nan 4.470 nan 0.000 0.217 223 S C 1.523 176.172 174.600 0.082 0.000 0.999 223 S CA 1.748 59.937 58.200 -0.018 0.000 0.914 223 S CB 0.704 63.831 63.200 -0.122 0.000 0.782 223 S HN -0.585 7.410 8.310 -0.213 0.187 0.520 224 Y N 1.836 122.238 120.300 0.169 0.000 2.081 224 Y HA -0.383 nan 4.550 nan 0.000 0.280 224 Y C 2.047 178.045 175.900 0.164 0.000 1.163 224 Y CA 3.323 61.525 58.100 0.171 0.000 1.135 224 Y CB -0.869 37.676 38.460 0.142 0.000 0.970 224 Y HN -0.727 7.457 8.280 -0.159 0.000 0.498 225 L N -1.647 119.736 121.223 0.267 0.000 1.994 225 L HA -0.097 nan 4.340 nan 0.000 0.208 225 L C -0.884 176.030 176.870 0.072 0.000 1.071 225 L CA 4.151 59.043 54.840 0.087 0.000 0.745 225 L CB -2.193 39.767 42.059 -0.164 0.000 0.892 225 L HN 0.100 8.516 8.230 0.311 0.000 0.431 226 P HA -0.238 nan 4.420 nan 0.000 0.220 226 P C 1.834 179.214 177.300 0.132 0.000 1.148 226 P CA 2.707 65.847 63.100 0.068 0.000 0.803 226 P CB -0.588 31.150 31.700 0.063 0.000 0.782 227 F N 0.345 120.321 119.950 0.043 0.000 2.187 227 F HA -0.287 nan 4.527 nan 0.000 0.295 227 F C 0.517 176.311 175.800 -0.009 0.000 1.091 227 F CA 3.073 61.094 58.000 0.037 0.000 1.308 227 F CB 0.185 39.232 39.000 0.079 0.000 1.030 227 F HN -0.011 8.463 8.300 0.329 0.023 0.487 228 A N -0.148 122.738 122.820 0.111 0.000 1.940 228 A HA -0.418 nan 4.320 nan 0.000 0.219 228 A C 1.818 179.338 177.584 -0.106 0.000 1.176 228 A CA 3.215 55.233 52.037 -0.030 0.000 0.631 228 A CB -0.868 18.191 19.000 0.098 0.000 0.814 228 A HN 0.184 8.500 8.150 0.275 0.000 0.446 229 M N -2.205 117.375 119.600 -0.033 0.000 2.123 229 M HA -0.388 nan 4.480 nan 0.000 0.263 229 M C 2.640 178.871 176.300 -0.114 0.000 1.069 229 M CA 4.188 59.468 55.300 -0.032 0.000 1.133 229 M CB -0.037 32.583 32.600 0.034 0.000 1.356 229 M HN -0.350 7.938 8.290 0.024 0.016 0.415 230 E N 0.640 120.749 120.200 -0.152 0.000 2.118 230 E HA -0.338 nan 4.350 nan 0.000 0.195 230 E C 1.738 178.173 176.600 -0.274 0.000 0.992 230 E CA 3.046 59.337 56.400 -0.182 0.000 0.804 230 E CB -0.051 29.549 29.700 -0.166 0.000 0.741 230 E HN -0.498 7.790 8.360 -0.120 0.000 0.458 231 K N -3.603 116.513 120.400 -0.475 0.000 2.476 231 K HA -0.019 nan 4.320 nan 0.000 0.196 231 K C -0.579 175.816 176.600 -0.342 0.000 1.025 231 K CA -1.635 54.329 56.287 -0.538 0.000 1.138 231 K CB -0.555 31.287 32.500 -1.096 0.000 0.860 231 K HN -0.504 7.396 8.250 -0.558 0.014 0.515 232 K N -3.606 116.660 120.400 -0.223 0.000 3.069 232 K HA -0.366 nan 4.320 nan 0.000 0.267 232 K C 0.442 176.973 176.600 -0.115 0.000 1.082 232 K CA 1.311 57.518 56.287 -0.133 0.000 0.782 232 K CB -2.006 30.439 32.500 -0.091 0.000 1.230 232 K HN -0.273 7.640 8.250 -0.217 0.207 0.488 233 L N -4.252 116.883 121.223 -0.145 0.000 2.307 233 L HA -0.062 nan 4.340 nan 0.000 0.211 233 L C 0.604 177.468 176.870 -0.010 0.000 1.099 233 L CA 1.471 56.260 54.840 -0.086 0.000 0.816 233 L CB 1.121 43.107 42.059 -0.122 0.000 0.952 233 L HN 0.181 8.264 8.230 -0.198 0.028 0.455 234 I N -3.242 117.331 120.570 0.006 0.000 2.842 234 I HA 0.081 nan 4.170 nan 0.000 0.297 234 I C -2.807 173.336 176.117 0.043 0.000 1.380 234 I CA -0.852 60.490 61.300 0.071 0.000 1.018 234 I CB 2.084 40.190 38.000 0.176 0.000 1.311 234 I HN -0.659 7.511 8.210 -0.025 0.025 0.439 235 D N 3.726 124.100 120.400 -0.043 0.000 2.610 235 D HA 0.152 nan 4.640 nan 0.000 0.271 235 D C -0.095 175.788 176.300 -0.694 0.000 1.174 235 D CA -1.624 52.207 54.000 -0.282 0.000 0.949 235 D CB 1.791 42.464 40.800 -0.212 0.000 1.430 235 D HN -0.399 7.962 8.370 -0.016 0.000 0.467 236 E N -1.283 118.299 120.200 -1.030 0.000 2.273 236 E HA -0.338 nan 4.350 nan 0.000 0.198 236 E C -0.085 176.221 176.600 -0.490 0.000 1.002 236 E CA 2.397 58.115 56.400 -1.137 0.000 0.828 236 E CB -0.241 29.066 29.700 -0.655 0.000 0.747 236 E HN 0.323 8.232 8.360 -0.751 0.000 0.491 237 S N -4.955 110.561 115.700 -0.306 0.000 2.562 237 S HA -0.106 nan 4.470 nan 0.000 0.221 237 S C 0.250 174.795 174.600 -0.092 0.000 0.975 237 S CA -0.273 57.834 58.200 -0.156 0.000 0.918 237 S CB -0.048 63.081 63.200 -0.119 0.000 0.772 237 S HN -0.564 7.775 8.310 -0.318 -0.220 0.531 238 N N 4.451 123.108 118.700 -0.071 0.000 2.497 238 N HA 0.166 nan 4.740 nan 0.000 0.268 238 N C -0.502 175.012 175.510 0.006 0.000 1.171 238 N CA -1.459 51.592 53.050 0.001 0.000 0.948 238 N CB 1.083 39.616 38.487 0.077 0.000 1.069 238 N HN -0.402 7.846 8.380 -0.133 0.053 0.460 239 P HA -0.122 nan 4.420 nan 0.000 0.219 239 P C 0.140 177.389 177.300 -0.084 0.000 1.146 239 P CA 1.807 64.881 63.100 -0.044 0.000 0.808 239 P CB 0.203 31.880 31.700 -0.039 0.000 0.779 240 N N -3.129 115.475 118.700 -0.161 0.000 2.214 240 N HA 0.154 nan 4.740 nan 0.000 0.214 240 N C -0.046 175.282 175.510 -0.303 0.000 1.132 240 N CA -0.141 52.679 53.050 -0.382 0.000 0.856 240 N CB 0.912 38.741 38.487 -1.096 0.000 1.020 240 N HN -0.207 8.376 8.380 -0.126 -0.278 0.509 241 F N 2.450 122.280 119.950 -0.201 0.000 2.171 241 F HA -0.386 nan 4.527 nan 0.000 0.300 241 F C 0.422 176.171 175.800 -0.084 0.000 1.090 241 F CA 4.577 62.523 58.000 -0.090 0.000 1.293 241 F CB 0.359 39.318 39.000 -0.069 0.000 1.013 241 F HN -0.341 7.837 8.300 0.093 0.178 0.486 242 K N -2.321 118.006 120.400 -0.122 0.000 2.147 242 K HA -0.430 nan 4.320 nan 0.000 0.205 242 K C 2.416 178.862 176.600 -0.256 0.000 1.049 242 K CA 3.487 59.641 56.287 -0.221 0.000 0.936 242 K CB -0.477 31.875 32.500 -0.246 0.000 0.722 242 K HN 0.333 8.543 8.250 -0.047 0.012 0.446 243 H N -0.178 118.828 119.070 -0.106 0.000 2.395 243 H HA -0.198 nan 4.556 nan 0.000 0.299 243 H C 2.377 177.754 175.328 0.083 0.000 1.070 243 H CA 3.083 59.125 56.048 -0.011 0.000 1.356 243 H CB 0.042 29.797 29.762 -0.011 0.000 1.401 243 H HN -0.778 7.180 8.280 -0.351 0.112 0.524 244 L N -0.982 120.359 121.223 0.196 0.000 2.156 244 L HA -0.266 nan 4.340 nan 0.000 0.208 244 L C 1.605 178.455 176.870 -0.033 0.000 1.095 244 L CA 2.991 57.930 54.840 0.164 0.000 0.770 244 L CB -0.279 41.879 42.059 0.165 0.000 0.914 244 L HN -0.397 7.875 8.230 0.070 0.000 0.439 245 T N 1.800 116.211 114.554 -0.238 0.000 2.821 245 T HA -0.342 nan 4.350 nan 0.000 0.267 245 T C 1.881 176.565 174.700 -0.026 0.000 1.046 245 T CA 5.228 67.191 62.100 -0.228 0.000 1.139 245 T CB -0.703 67.945 68.868 -0.366 0.000 0.871 245 T HN 0.019 8.039 8.240 -0.342 0.015 0.454 246 N N 1.225 119.920 118.700 -0.008 0.000 2.142 246 N HA -0.301 nan 4.740 nan 0.000 0.186 246 N C 1.398 176.945 175.510 0.061 0.000 1.023 246 N CA 3.236 56.306 53.050 0.034 0.000 0.852 246 N CB 0.158 38.675 38.487 0.052 0.000 0.998 246 N HN -0.428 7.834 8.380 -0.034 0.098 0.424 247 A N -0.689 122.186 122.820 0.091 0.000 1.902 247 A HA -0.302 nan 4.320 nan 0.000 0.217 247 A C 1.817 179.452 177.584 0.084 0.000 1.181 247 A CA 3.035 55.124 52.037 0.087 0.000 0.623 247 A CB -0.903 18.161 19.000 0.107 0.000 0.818 247 A HN -0.055 8.158 8.150 0.106 0.000 0.443 248 H N -0.468 118.611 119.070 0.015 0.000 2.293 248 H HA -0.351 nan 4.556 nan 0.000 0.300 248 H C 2.303 177.628 175.328 -0.005 0.000 1.082 248 H CA 4.086 60.143 56.048 0.015 0.000 1.308 248 H CB 0.249 30.013 29.762 0.003 0.000 1.375 248 H HN -0.128 8.266 8.280 0.189 0.000 0.495 249 E N -1.352 118.884 120.200 0.059 0.000 2.153 249 E HA -0.438 nan 4.350 nan 0.000 0.194 249 E C 2.736 179.290 176.600 -0.077 0.000 0.988 249 E CA 3.034 59.426 56.400 -0.012 0.000 0.811 249 E CB -0.306 29.423 29.700 0.048 0.000 0.746 249 E HN -0.153 8.301 8.360 0.158 0.000 0.466 250 N N 0.078 118.745 118.700 -0.055 0.000 2.084 250 N HA -0.221 nan 4.740 nan 0.000 0.190 250 N C 1.990 177.417 175.510 -0.137 0.000 1.030 250 N CA 2.929 55.935 53.050 -0.073 0.000 0.849 250 N CB -0.424 38.041 38.487 -0.035 0.000 1.012 250 N HN -0.128 8.226 8.380 -0.017 0.016 0.423 251 c N 0.930 119.445 118.600 -0.141 0.000 2.413 251 c HA -0.328 nan 4.570 nan 0.000 0.276 251 c C 1.764 175.707 174.090 -0.245 0.000 1.236 251 c CA 3.611 59.832 56.329 -0.180 0.000 1.735 251 c CB -1.533 40.905 42.510 -0.119 0.000 2.031 251 c HN -0.147 8.021 8.230 -0.103 0.000 0.474 252 Q N 0.200 119.834 119.800 -0.278 0.000 2.096 252 Q HA -0.379 nan 4.340 nan 0.000 0.204 252 Q C 2.375 178.267 176.000 -0.179 0.000 0.982 252 Q CA 3.152 58.811 55.803 -0.240 0.000 0.850 252 Q CB -0.456 28.135 28.738 -0.245 0.000 0.901 252 Q HN 0.307 8.318 8.270 -0.320 0.067 0.422 253 N N -0.111 118.490 118.700 -0.165 0.000 2.188 253 N HA -0.245 nan 4.740 nan 0.000 0.184 253 N C 2.650 178.042 175.510 -0.197 0.000 1.018 253 N CA 2.950 55.915 53.050 -0.142 0.000 0.858 253 N CB -0.197 38.226 38.487 -0.107 0.000 0.989 253 N HN -0.138 8.146 8.380 -0.161 0.000 0.426 254 L N 0.123 121.162 121.223 -0.306 0.000 2.046 254 L HA -0.335 nan 4.340 nan 0.000 0.208 254 L C 1.809 178.360 176.870 -0.533 0.000 1.077 254 L CA 3.460 57.987 54.840 -0.522 0.000 0.747 254 L CB -0.204 41.334 42.059 -0.869 0.000 0.896 254 L HN -0.064 7.992 8.230 -0.290 0.000 0.432 255 I N -1.302 119.039 120.570 -0.382 0.000 2.252 255 I HA -0.507 nan 4.170 nan 0.000 0.245 255 I C 1.566 177.641 176.117 -0.071 0.000 1.102 255 I CA 3.617 64.839 61.300 -0.130 0.000 1.385 255 I CB -0.285 37.671 38.000 -0.074 0.000 1.064 255 I HN -0.130 7.855 8.210 -0.359 0.009 0.414 256 N N -1.421 117.222 118.700 -0.096 0.000 2.188 256 N HA -0.205 nan 4.740 nan 0.000 0.184 256 N C 1.408 176.888 175.510 -0.051 0.000 1.018 256 N CA 2.473 55.486 53.050 -0.063 0.000 0.858 256 N CB 0.193 38.642 38.487 -0.063 0.000 0.989 256 N HN -0.294 8.009 8.380 -0.129 0.000 0.426 257 S N 0.367 116.025 115.700 -0.070 0.000 2.335 257 S HA -0.165 nan 4.470 nan 0.000 0.217 257 S C 0.615 175.204 174.600 -0.019 0.000 1.032 257 S CA 1.171 59.341 58.200 -0.051 0.000 0.985 257 S CB 0.672 63.829 63.200 -0.072 0.000 0.896 257 S HN -0.383 7.863 8.310 -0.106 0.000 0.445 258 A N -0.193 122.630 122.820 0.005 0.000 2.799 258 A HA -0.268 nan 4.320 nan 0.000 0.287 258 A C -0.156 177.458 177.584 0.050 0.000 1.484 258 A CA 1.334 53.420 52.037 0.082 0.000 0.813 258 A CB -1.502 17.533 19.000 0.057 0.000 1.009 258 A HN -0.150 7.977 8.150 -0.039 0.000 0.545 259 S N -3.877 111.840 115.700 0.028 0.000 2.604 259 S HA -0.030 nan 4.470 nan 0.000 0.235 259 S C 0.714 175.321 174.600 0.011 0.000 1.043 259 S CA -0.012 58.195 58.200 0.012 0.000 0.997 259 S CB 0.999 64.197 63.200 -0.003 0.000 0.956 259 S HN 0.133 8.429 8.310 0.014 0.022 0.535 260 T N 1.941 116.507 114.554 0.021 0.000 2.726 260 T HA 0.182 nan 4.350 nan 0.000 0.294 260 T C 0.825 175.524 174.700 -0.001 0.000 1.013 260 T CA -0.874 61.233 62.100 0.011 0.000 0.996 260 T CB 1.258 70.134 68.868 0.014 0.000 1.016 260 T HN -0.463 7.794 8.240 0.028 0.000 0.529 261 D N 0.161 120.540 120.400 -0.035 0.000 2.218 261 D HA -0.223 nan 4.640 nan 0.000 0.204 261 D C 1.854 177.984 176.300 -0.284 0.000 0.976 261 D CA 2.927 56.867 54.000 -0.100 0.000 0.853 261 D CB 0.102 40.862 40.800 -0.068 0.000 0.939 261 D HN 0.348 8.704 8.370 -0.022 0.000 0.481 262 E N -0.988 119.084 120.200 -0.214 0.000 2.338 262 E HA -0.227 nan 4.350 nan 0.000 0.197 262 E C 1.580 178.009 176.600 -0.285 0.000 1.007 262 E CA 1.796 57.994 56.400 -0.335 0.000 0.849 262 E CB -0.378 29.384 29.700 0.103 0.000 0.774 262 E HN -0.077 8.219 8.360 -0.063 0.026 0.506 263 A N -1.254 121.530 122.820 -0.060 0.000 2.172 263 A HA -0.108 nan 4.320 nan 0.000 0.216 263 A C 0.717 178.238 177.584 -0.105 0.000 1.154 263 A CA 2.056 54.062 52.037 -0.052 0.000 0.701 263 A CB -0.661 18.381 19.000 0.069 0.000 0.789 263 A HN -0.268 7.711 8.150 0.007 0.175 0.465 264 A N -4.131 118.626 122.820 -0.104 0.000 2.178 264 A HA 0.083 nan 4.320 nan 0.000 0.211 264 A C -0.136 177.578 177.584 0.216 0.000 1.157 264 A CA 0.331 52.392 52.037 0.040 0.000 0.780 264 A CB 0.349 19.399 19.000 0.083 0.000 0.828 264 A HN -0.524 7.324 8.150 -0.211 0.175 0.476 265 H N -1.395 117.637 119.070 -0.063 0.000 2.509 265 H HA 0.139 nan 4.556 nan 0.000 0.359 265 H C 0.926 176.229 175.328 -0.042 0.000 1.253 265 H CA -1.686 54.347 56.048 -0.025 0.000 1.373 265 H CB 0.468 30.220 29.762 -0.016 0.000 1.555 265 H HN -0.616 7.403 8.280 -0.125 0.186 0.586 266 F N 0.715 120.694 119.950 0.049 0.000 2.095 266 F HA -0.308 nan 4.527 nan 0.000 0.298 266 F C -1.495 174.273 175.800 -0.053 0.000 1.104 266 F CA 3.089 61.095 58.000 0.010 0.000 1.232 266 F CB 1.034 40.062 39.000 0.046 0.000 0.987 266 F HN 0.418 8.922 8.300 0.340 0.000 0.475 267 S N -5.643 110.068 115.700 0.018 0.000 2.656 267 S HA 0.109 nan 4.470 nan 0.000 0.273 267 S C -1.656 172.851 174.600 -0.155 0.000 1.168 267 S CA -1.659 56.453 58.200 -0.148 0.000 0.817 267 S CB 2.352 65.605 63.200 0.088 0.000 1.146 267 S HN -0.983 7.445 8.310 0.198 0.000 0.475 268 Y N -0.709 119.647 120.300 0.094 0.000 2.310 268 Y HA 0.056 nan 4.550 nan 0.000 0.326 268 Y C 0.847 176.810 175.900 0.106 0.000 1.151 268 Y CA 0.061 58.208 58.100 0.078 0.000 1.195 268 Y CB 0.897 39.374 38.460 0.029 0.000 1.210 268 Y HN 0.477 8.782 8.280 0.042 0.000 0.483 269 Q N 4.879 124.831 119.800 0.253 0.000 2.050 269 Q HA -0.460 nan 4.340 nan 0.000 0.202 269 Q C 1.591 177.682 176.000 0.152 0.000 0.980 269 Q CA 3.893 59.801 55.803 0.175 0.000 0.840 269 Q CB 0.280 29.101 28.738 0.138 0.000 0.898 269 Q HN -0.022 8.705 8.270 0.266 -0.297 0.424 270 E N -1.151 119.135 120.200 0.143 0.000 2.070 270 E HA -0.272 nan 4.350 nan 0.000 0.197 270 E C 2.244 178.911 176.600 0.111 0.000 1.004 270 E CA 3.239 59.695 56.400 0.093 0.000 0.805 270 E CB -0.900 28.825 29.700 0.041 0.000 0.744 270 E HN 0.640 9.099 8.360 0.164 0.000 0.451 271 c N -0.792 117.901 118.600 0.156 0.000 2.435 271 c HA -0.008 nan 4.570 nan 0.000 0.279 271 c C 2.623 176.857 174.090 0.240 0.000 1.321 271 c CA 2.227 58.664 56.329 0.182 0.000 1.752 271 c CB -1.236 41.400 42.510 0.211 0.000 1.959 271 c HN 0.045 8.393 8.230 0.198 0.000 0.500 272 E N -1.230 119.108 120.200 0.230 0.000 2.347 272 E HA -0.166 nan 4.350 nan 0.000 0.196 272 E C 0.830 177.500 176.600 0.118 0.000 1.008 272 E CA 2.378 58.907 56.400 0.217 0.000 0.852 272 E CB -0.550 29.265 29.700 0.193 0.000 0.783 272 E HN -0.379 7.993 8.360 0.218 0.119 0.505 273 N N -1.892 116.862 118.700 0.089 0.000 2.280 273 N HA 0.053 nan 4.740 nan 0.000 0.192 273 N C 0.707 176.209 175.510 -0.013 0.000 1.109 273 N CA -0.027 53.034 53.050 0.019 0.000 0.855 273 N CB 0.799 39.297 38.487 0.017 0.000 0.974 273 N HN -0.708 7.579 8.380 0.112 0.161 0.482 274 I N 0.167 120.769 120.570 0.052 0.000 2.179 274 I HA -0.447 nan 4.170 nan 0.000 0.242 274 I C 1.346 177.393 176.117 -0.117 0.000 1.088 274 I CA 3.926 65.255 61.300 0.048 0.000 1.357 274 I CB -0.182 37.960 38.000 0.237 0.000 1.051 274 I HN -0.884 7.346 8.210 0.123 0.054 0.409 275 L N -1.792 119.251 121.223 -0.300 0.000 2.083 275 L HA -0.365 nan 4.340 nan 0.000 0.209 275 L C 1.225 177.895 176.870 -0.333 0.000 1.083 275 L CA 3.494 57.986 54.840 -0.579 0.000 0.752 275 L CB -0.526 41.004 42.059 -0.881 0.000 0.899 275 L HN -0.110 8.007 8.230 -0.189 0.000 0.433 276 N N -0.703 117.852 118.700 -0.241 0.000 2.084 276 N HA -0.356 nan 4.740 nan 0.000 0.190 276 N C 2.484 177.854 175.510 -0.232 0.000 1.030 276 N CA 3.368 56.305 53.050 -0.188 0.000 0.849 276 N CB -0.549 37.856 38.487 -0.137 0.000 1.012 276 N HN -0.151 8.105 8.380 -0.208 0.000 0.423 277 L N -0.899 120.134 121.223 -0.317 0.000 2.046 277 L HA -0.329 nan 4.340 nan 0.000 0.208 277 L C 2.043 178.450 176.870 -0.772 0.000 1.077 277 L CA 2.942 57.387 54.840 -0.658 0.000 0.747 277 L CB -0.269 41.460 42.059 -0.550 0.000 0.896 277 L HN -0.299 7.787 8.230 -0.241 0.000 0.432 278 L N -0.522 120.484 121.223 -0.361 0.000 2.012 278 L HA -0.345 nan 4.340 nan 0.000 0.210 278 L C 2.032 178.839 176.870 -0.105 0.000 1.073 278 L CA 3.273 58.017 54.840 -0.160 0.000 0.748 278 L CB -0.419 41.574 42.059 -0.110 0.000 0.891 278 L HN -0.213 7.765 8.230 -0.293 0.076 0.431 279 L N -3.797 117.352 121.223 -0.123 0.000 2.083 279 L HA -0.433 nan 4.340 nan 0.000 0.209 279 L C 1.996 178.882 176.870 0.026 0.000 1.083 279 L CA 3.178 58.002 54.840 -0.027 0.000 0.752 279 L CB -0.530 41.515 42.059 -0.023 0.000 0.899 279 L HN 0.193 8.316 8.230 -0.179 0.000 0.433 280 S N -1.202 114.473 115.700 -0.042 0.000 2.414 280 S HA -0.167 nan 4.470 nan 0.000 0.227 280 S C 2.358 176.973 174.600 0.025 0.000 1.022 280 S CA 2.820 60.967 58.200 -0.089 0.000 0.958 280 S CB 0.392 63.535 63.200 -0.095 0.000 0.797 280 S HN -0.456 7.666 8.310 -0.142 0.103 0.493 281 Y N -0.741 119.542 120.300 -0.029 0.000 2.457 281 Y HA -0.087 nan 4.550 nan 0.000 0.292 281 Y C 0.909 176.804 175.900 -0.008 0.000 1.125 281 Y CA -0.187 57.908 58.100 -0.008 0.000 1.254 281 Y CB -0.384 38.095 38.460 0.032 0.000 1.012 281 Y HN -0.056 8.064 8.280 -0.120 0.088 0.555 282 T N -6.517 108.117 114.554 0.133 0.000 3.186 282 T HA 0.081 nan 4.350 nan 0.000 0.257 282 T C -0.039 174.680 174.700 0.031 0.000 1.029 282 T CA -1.566 60.580 62.100 0.076 0.000 0.916 282 T CB -0.086 68.821 68.868 0.066 0.000 1.041 282 T HN -0.609 7.549 8.240 0.097 0.140 0.562 283 R N 0.231 120.724 120.500 -0.011 0.000 2.594 283 R HA -0.017 nan 4.340 nan 0.000 0.272 283 R C -0.066 176.218 176.300 -0.027 0.000 1.074 283 R CA 0.790 56.857 56.100 -0.056 0.000 1.105 283 R CB 0.727 30.912 30.300 -0.193 0.000 1.008 283 R HN -0.726 7.465 8.270 -0.009 0.074 0.472 284 E N 1.658 121.849 120.200 -0.015 0.000 2.393 284 E HA 0.252 nan 4.350 nan 0.000 0.265 284 E C -1.449 175.149 176.600 -0.004 0.000 0.941 284 E CA -1.397 55.002 56.400 -0.003 0.000 0.801 284 E CB 3.364 33.072 29.700 0.013 0.000 1.313 284 E HN -0.117 8.237 8.360 -0.009 0.000 0.435 285 S N 0.089 115.790 115.700 0.002 0.000 2.442 285 S HA 0.343 nan 4.470 nan 0.000 0.297 285 S C -0.582 174.027 174.600 0.015 0.000 1.131 285 S CA -0.391 57.812 58.200 0.005 0.000 1.092 285 S CB 0.509 63.711 63.200 0.002 0.000 0.998 285 S HN 0.055 8.367 8.310 0.004 0.000 0.478 286 S N 5.927 121.639 115.700 0.020 0.000 2.548 286 S HA 0.304 nan 4.470 nan 0.000 0.286 286 S C 0.934 175.550 174.600 0.026 0.000 1.098 286 S CA -1.286 56.929 58.200 0.026 0.000 0.930 286 S CB 2.272 65.492 63.200 0.033 0.000 1.070 286 S HN 0.283 8.731 8.310 0.020 -0.126 0.480 287 Q N 4.636 124.451 119.800 0.025 0.000 1.967 287 Q HA -0.341 nan 4.340 nan 0.000 0.210 287 Q C 1.014 177.030 176.000 0.026 0.000 1.005 287 Q CA 2.806 58.623 55.803 0.024 0.000 0.862 287 Q CB -0.339 28.413 28.738 0.023 0.000 0.939 287 Q HN 0.596 8.881 8.270 0.025 0.000 0.417 288 K N -2.175 118.243 120.400 0.030 0.000 2.505 288 K HA 0.172 nan 4.320 nan 0.000 0.192 288 K C 0.036 176.658 176.600 0.038 0.000 1.025 288 K CA -0.326 55.980 56.287 0.032 0.000 1.086 288 K CB -0.589 31.931 32.500 0.033 0.000 0.840 288 K HN 0.268 8.537 8.250 0.031 0.000 0.514 289 G N -1.391 107.432 108.800 0.039 0.000 2.187 289 G HA2 -0.348 nan 3.960 nan 0.000 0.261 289 G HA3 -0.348 nan 3.960 nan 0.000 0.261 289 G C -0.468 174.466 174.900 0.058 0.000 1.000 289 G CA 0.510 45.639 45.100 0.049 0.000 0.718 289 G HN -0.334 7.764 8.290 0.035 0.214 0.519 290 T N -6.412 108.173 114.554 0.052 0.000 3.144 290 T HA 0.063 nan 4.350 nan 0.000 0.249 290 T C -0.701 174.035 174.700 0.060 0.000 1.089 290 T CA -0.491 61.643 62.100 0.057 0.000 0.989 290 T CB -0.634 68.265 68.868 0.053 0.000 0.992 290 T HN -0.066 8.149 8.240 0.047 0.053 0.540 291 A N 0.193 123.047 122.820 0.057 0.000 2.568 291 A HA 0.402 nan 4.320 nan 0.000 0.287 291 A C -1.050 176.566 177.584 0.054 0.000 0.967 291 A CA -0.207 51.863 52.037 0.055 0.000 1.004 291 A CB 0.587 19.617 19.000 0.049 0.000 1.233 291 A HN -0.563 7.545 8.150 0.054 0.074 0.513 292 D N -0.363 120.075 120.400 0.064 0.000 2.085 292 D HA -0.026 nan 4.640 nan 0.000 0.199 292 D C -0.218 176.122 176.300 0.067 0.000 0.981 292 D CA 4.373 58.409 54.000 0.060 0.000 0.834 292 D CB 0.803 41.654 40.800 0.086 0.000 0.992 292 D HN -0.357 8.056 8.370 0.072 0.000 0.457 293 c N -2.630 116.037 118.600 0.112 0.000 2.398 293 c HA 0.268 nan 4.570 nan 0.000 0.364 293 c C -1.320 172.809 174.090 0.065 0.000 1.219 293 c CA -1.239 55.162 56.329 0.121 0.000 2.312 293 c CB 0.839 43.476 42.510 0.211 0.000 2.428 293 c HN -0.144 8.161 8.230 0.126 0.000 0.564 294 L N 2.368 123.621 121.223 0.049 0.000 2.397 294 L HA 0.030 nan 4.340 nan 0.000 0.271 294 L C -0.834 176.020 176.870 -0.027 0.000 1.148 294 L CA -0.258 54.600 54.840 0.031 0.000 0.825 294 L CB 0.778 42.867 42.059 0.051 0.000 1.117 294 L HN 0.174 8.438 8.230 0.058 0.000 0.456 295 N N 2.253 120.917 118.700 -0.061 0.000 2.402 295 N HA 0.022 nan 4.740 nan 0.000 0.252 295 N C 1.523 176.890 175.510 -0.237 0.000 1.118 295 N CA -0.543 52.406 53.050 -0.168 0.000 0.945 295 N CB 0.371 38.718 38.487 -0.234 0.000 1.147 295 N HN 0.060 8.421 8.380 -0.031 0.000 0.495 296 M N 5.151 124.527 119.600 -0.373 0.000 2.530 296 M HA -0.318 nan 4.480 nan 0.000 0.261 296 M C 0.488 176.491 176.300 -0.496 0.000 1.067 296 M CA 3.284 58.318 55.300 -0.444 0.000 1.071 296 M CB -0.383 31.854 32.600 -0.605 0.000 1.405 296 M HN 0.409 8.362 8.290 -0.388 0.103 0.478 297 Y N -3.403 116.720 120.300 -0.295 0.000 2.478 297 Y HA 0.031 nan 4.550 nan 0.000 0.261 297 Y C -1.346 174.339 175.900 -0.359 0.000 1.127 297 Y CA 0.074 57.956 58.100 -0.363 0.000 1.288 297 Y CB -0.010 38.105 38.460 -0.574 0.000 1.084 297 Y HN 0.024 8.210 8.280 -0.566 -0.247 0.530 298 N N -1.226 117.315 118.700 -0.265 0.000 2.976 298 N HA 0.060 nan 4.740 nan 0.000 0.249 298 N C -0.049 175.343 175.510 -0.196 0.000 1.258 298 N CA -0.297 52.595 53.050 -0.262 0.000 0.864 298 N CB 0.534 38.816 38.487 -0.341 0.000 1.551 298 N HN -0.282 7.841 8.380 -0.285 0.086 0.607 299 F N 3.223 123.182 119.950 0.016 0.000 2.722 299 F HA -0.107 nan 4.527 nan 0.000 0.298 299 F C -0.937 174.877 175.800 0.023 0.000 1.175 299 F CA 0.515 58.531 58.000 0.026 0.000 1.462 299 F CB -1.228 37.825 39.000 0.089 0.000 1.111 299 F HN 0.204 8.382 8.300 -0.203 0.000 0.592 300 N N -1.842 116.733 118.700 -0.207 0.000 2.416 300 N HA -0.135 nan 4.740 nan 0.000 0.177 300 N C -0.004 175.502 175.510 -0.008 0.000 1.036 300 N CA 0.995 54.002 53.050 -0.071 0.000 0.901 300 N CB 0.902 39.301 38.487 -0.147 0.000 0.976 300 N HN -0.559 7.765 8.380 -0.450 -0.214 0.444 301 L N -1.195 120.002 121.223 -0.044 0.000 2.352 301 L HA 0.192 nan 4.340 nan 0.000 0.269 301 L C -1.097 175.770 176.870 -0.004 0.000 1.034 301 L CA -0.639 54.189 54.840 -0.019 0.000 0.806 301 L CB 1.771 43.790 42.059 -0.065 0.000 1.244 301 L HN -0.354 7.655 8.230 -0.101 0.160 0.447 302 K N 0.016 120.432 120.400 0.026 0.000 2.313 302 K HA 0.682 nan 4.320 nan 0.000 0.235 302 K C -1.516 175.112 176.600 0.048 0.000 1.035 302 K CA -1.686 54.623 56.287 0.037 0.000 0.868 302 K CB 2.548 35.079 32.500 0.051 0.000 1.232 302 K HN -0.102 8.174 8.250 0.043 0.000 0.459 303 D N -1.333 119.100 120.400 0.054 0.000 2.725 303 D HA 0.168 nan 4.640 nan 0.000 0.292 303 D C -2.172 174.169 176.300 0.069 0.000 1.288 303 D CA -1.290 52.749 54.000 0.065 0.000 0.784 303 D CB 3.151 43.988 40.800 0.061 0.000 1.308 303 D HN 0.275 8.678 8.370 0.055 0.000 0.429 304 S N -0.489 115.251 115.700 0.066 0.000 2.576 304 S HA 0.053 nan 4.470 nan 0.000 0.276 304 S C -0.963 173.689 174.600 0.087 0.000 1.339 304 S CA 0.612 58.859 58.200 0.078 0.000 1.039 304 S CB 0.848 64.082 63.200 0.056 0.000 0.902 304 S HN 0.044 8.390 8.310 0.061 0.000 0.516 305 Y N 3.384 123.684 120.300 -0.001 0.000 2.310 305 Y HA 0.192 nan 4.550 nan 0.000 0.326 305 Y C -1.512 174.381 175.900 -0.011 0.000 1.151 305 Y CA -2.741 55.351 58.100 -0.012 0.000 1.195 305 Y CB 1.189 39.643 38.460 -0.010 0.000 1.210 305 Y HN 0.110 8.522 8.280 0.220 0.000 0.483 306 P HA 0.255 nan 4.420 nan 0.000 0.254 306 P C -0.822 176.200 177.300 -0.464 0.000 1.494 306 P CA 0.032 62.465 63.100 -1.111 0.000 0.961 306 P CB 0.685 31.715 31.700 -1.117 0.000 1.493 307 S N 0.889 116.449 115.700 -0.233 0.000 2.348 307 S HA -0.201 nan 4.470 nan 0.000 0.221 307 S C 1.039 175.571 174.600 -0.113 0.000 1.033 307 S CA 1.886 60.013 58.200 -0.122 0.000 1.010 307 S CB 1.029 64.204 63.200 -0.042 0.000 0.891 307 S HN -0.395 7.723 8.310 -0.182 0.082 0.442 308 c N -0.209 118.341 118.600 -0.083 0.000 4.114 308 c HA -0.380 nan 4.570 nan 0.000 0.300 308 c C 0.020 174.034 174.090 -0.127 0.000 1.423 308 c CA 0.542 56.821 56.329 -0.083 0.000 2.034 308 c CB -3.082 39.360 42.510 -0.115 0.000 1.299 308 c HN 0.192 8.390 8.230 -0.054 0.000 0.727 309 G N -2.730 106.059 108.800 -0.018 0.000 2.284 309 G HA2 -0.346 nan 3.960 nan 0.000 0.201 309 G HA3 -0.346 nan 3.960 nan 0.000 0.201 309 G C 0.914 176.023 174.900 0.349 0.000 0.998 309 G CA 0.671 45.829 45.100 0.097 0.000 0.651 309 G HN 0.529 9.163 8.290 0.024 -0.329 0.489 310 M N 1.129 120.845 119.600 0.194 0.000 2.279 310 M HA -0.283 nan 4.480 nan 0.000 0.264 310 M C 0.531 176.919 176.300 0.147 0.000 1.062 310 M CA 2.293 57.706 55.300 0.189 0.000 1.099 310 M CB -0.960 31.674 32.600 0.057 0.000 1.394 310 M HN -0.344 7.812 8.290 0.065 0.173 0.426 311 N N -3.252 115.534 118.700 0.143 0.000 2.412 311 N HA 0.006 nan 4.740 nan 0.000 0.184 311 N C -1.071 174.517 175.510 0.130 0.000 1.101 311 N CA 0.639 53.747 53.050 0.098 0.000 0.881 311 N CB 0.861 39.393 38.487 0.076 0.000 0.969 311 N HN -0.569 8.037 8.380 0.146 -0.139 0.459 312 W N 1.296 122.599 121.300 0.005 0.000 2.376 312 W HA 0.212 nan 4.660 nan 0.000 0.322 312 W C -2.406 174.043 176.519 -0.117 0.000 1.160 312 W CA -2.162 55.169 57.345 -0.023 0.000 1.218 312 W CB 1.323 30.820 29.460 0.062 0.000 1.205 312 W HN -0.672 7.567 8.180 0.412 0.187 0.559 313 P HA 0.149 nan 4.420 nan 0.000 0.283 313 P C -0.588 176.388 177.300 -0.539 0.000 1.278 313 P CA -1.357 61.059 63.100 -1.138 0.000 0.834 313 P CB 2.310 32.973 31.700 -1.728 0.000 1.150 314 K N -0.174 119.995 120.400 -0.385 0.000 2.209 314 K HA -0.317 nan 4.320 nan 0.000 0.204 314 K C 1.587 177.705 176.600 -0.803 0.000 1.048 314 K CA 3.076 59.096 56.287 -0.445 0.000 0.940 314 K CB -0.128 32.175 32.500 -0.328 0.000 0.729 314 K HN 0.457 8.536 8.250 -0.285 0.000 0.451 315 D N -1.297 118.715 120.400 -0.647 0.000 2.265 315 D HA -0.256 nan 4.640 nan 0.000 0.208 315 D C 1.775 177.884 176.300 -0.319 0.000 0.977 315 D CA 3.310 57.016 54.000 -0.491 0.000 0.871 315 D CB -0.802 39.893 40.800 -0.174 0.000 0.925 315 D HN 0.145 8.182 8.370 -0.497 0.035 0.485 316 I N -1.613 118.772 120.570 -0.308 0.000 2.315 316 I HA -0.352 nan 4.170 nan 0.000 0.248 316 I C 1.575 177.729 176.117 0.061 0.000 1.117 316 I CA 2.105 63.368 61.300 -0.062 0.000 1.404 316 I CB -1.145 36.813 38.000 -0.070 0.000 1.071 316 I HN -0.413 7.394 8.210 -0.416 0.153 0.419 317 S N 1.393 117.047 115.700 -0.078 0.000 2.402 317 S HA -0.280 nan 4.470 nan 0.000 0.229 317 S C 2.543 177.269 174.600 0.210 0.000 1.021 317 S CA 3.216 61.444 58.200 0.047 0.000 0.974 317 S CB -0.305 62.877 63.200 -0.029 0.000 0.800 317 S HN -0.432 7.730 8.310 -0.246 0.000 0.484 318 F N 1.603 121.586 119.950 0.055 0.000 2.113 318 F HA -0.171 nan 4.527 nan 0.000 0.297 318 F C 2.174 177.989 175.800 0.025 0.000 1.103 318 F CA 0.962 58.985 58.000 0.038 0.000 1.248 318 F CB -1.154 37.855 39.000 0.015 0.000 0.999 318 F HN -0.795 7.271 8.300 -0.203 0.113 0.475 319 V N -0.488 119.526 119.914 0.166 0.000 2.343 319 V HA -0.524 nan 4.120 nan 0.000 0.247 319 V C 1.845 177.992 176.094 0.089 0.000 1.051 319 V CA 4.504 66.781 62.300 -0.038 0.000 1.036 319 V CB -1.010 30.691 31.823 -0.204 0.000 0.654 319 V HN 0.048 8.252 8.190 0.143 0.071 0.451 320 S N -1.162 114.728 115.700 0.316 0.000 2.382 320 S HA -0.407 nan 4.470 nan 0.000 0.228 320 S C 1.901 176.702 174.600 0.334 0.000 1.027 320 S CA 3.286 61.775 58.200 0.482 0.000 0.991 320 S CB -0.375 63.095 63.200 0.450 0.000 0.823 320 S HN 0.027 8.445 8.310 0.309 0.078 0.469 321 K N 1.298 121.851 120.400 0.254 0.000 2.097 321 K HA -0.309 nan 4.320 nan 0.000 0.205 321 K C 1.862 178.552 176.600 0.150 0.000 1.050 321 K CA 2.874 59.276 56.287 0.190 0.000 0.938 321 K CB -0.115 32.495 32.500 0.184 0.000 0.718 321 K HN -0.663 7.634 8.250 0.265 0.112 0.442 322 F N -0.507 119.422 119.950 -0.034 0.000 2.084 322 F HA -0.327 nan 4.527 nan 0.000 0.296 322 F C 2.058 177.788 175.800 -0.116 0.000 1.111 322 F CA 3.185 61.090 58.000 -0.157 0.000 1.224 322 F CB 0.260 39.047 39.000 -0.355 0.000 0.991 322 F HN -0.610 7.725 8.300 0.240 0.109 0.471 323 F N -2.011 117.933 119.950 -0.010 0.000 2.293 323 F HA -0.310 nan 4.527 nan 0.000 0.300 323 F C 1.435 177.215 175.800 -0.033 0.000 1.086 323 F CA 2.854 60.817 58.000 -0.062 0.000 1.375 323 F CB -0.568 38.544 39.000 0.187 0.000 1.045 323 F HN -0.276 8.082 8.300 0.096 0.000 0.516 324 S N -2.965 112.852 115.700 0.195 0.000 2.593 324 S HA -0.033 nan 4.470 nan 0.000 0.217 324 S C -0.081 174.535 174.600 0.026 0.000 0.966 324 S CA 0.468 58.749 58.200 0.135 0.000 0.914 324 S CB 0.390 63.688 63.200 0.164 0.000 0.776 324 S HN -0.525 7.875 8.310 0.203 0.031 0.523 325 T N 6.789 121.309 114.554 -0.057 0.000 2.817 325 T HA 0.228 nan 4.350 nan 0.000 0.295 325 T C -2.254 172.382 174.700 -0.106 0.000 0.958 325 T CA -0.390 61.655 62.100 -0.092 0.000 1.157 325 T CB -0.377 68.393 68.868 -0.163 0.000 0.898 325 T HN -0.675 7.325 8.240 -0.099 0.180 0.536 326 P HA -0.242 nan 4.420 nan 0.000 0.261 326 P C 0.081 177.319 177.300 -0.103 0.000 1.173 326 P CA 0.973 64.030 63.100 -0.071 0.000 0.760 326 P CB 0.296 31.967 31.700 -0.050 0.000 0.783 327 G N 3.429 112.160 108.800 -0.115 0.000 2.279 327 G HA2 -0.263 nan 3.960 nan 0.000 0.223 327 G HA3 -0.263 nan 3.960 nan 0.000 0.223 327 G C 0.498 175.287 174.900 -0.186 0.000 1.015 327 G CA 0.419 45.437 45.100 -0.136 0.000 0.621 327 G HN -0.046 8.181 8.290 -0.105 0.000 0.506 328 V N 3.374 123.149 119.914 -0.233 0.000 2.237 328 V HA -0.461 nan 4.120 nan 0.000 0.245 328 V C 1.459 177.383 176.094 -0.283 0.000 1.046 328 V CA 4.174 66.285 62.300 -0.314 0.000 1.007 328 V CB -0.322 31.189 31.823 -0.521 0.000 0.638 328 V HN -0.423 7.562 8.190 -0.220 0.073 0.445 329 I N -1.397 119.018 120.570 -0.258 0.000 2.315 329 I HA -0.635 nan 4.170 nan 0.000 0.251 329 I C 1.322 177.231 176.117 -0.348 0.000 1.125 329 I CA 3.767 64.850 61.300 -0.361 0.000 1.392 329 I CB -0.405 37.405 38.000 -0.317 0.000 1.065 329 I HN -0.094 7.993 8.210 -0.206 0.000 0.424 330 D N -1.498 118.744 120.400 -0.262 0.000 2.162 330 D HA -0.224 nan 4.640 nan 0.000 0.203 330 D C 2.510 178.627 176.300 -0.306 0.000 0.967 330 D CA 3.235 57.093 54.000 -0.236 0.000 0.840 330 D CB -0.066 40.631 40.800 -0.170 0.000 0.972 330 D HN -0.144 8.064 8.370 -0.228 0.024 0.482 331 S N 0.769 116.284 115.700 -0.308 0.000 2.442 331 S HA -0.237 nan 4.470 nan 0.000 0.236 331 S C 1.159 175.452 174.600 -0.513 0.000 1.007 331 S CA 2.846 60.830 58.200 -0.360 0.000 0.965 331 S CB 0.174 63.229 63.200 -0.242 0.000 0.773 331 S HN -0.437 7.629 8.310 -0.266 0.084 0.504 332 L N -2.446 118.511 121.223 -0.442 0.000 2.611 332 L HA 0.015 nan 4.340 nan 0.000 0.229 332 L C -1.128 175.613 176.870 -0.215 0.000 1.137 332 L CA -0.405 54.201 54.840 -0.390 0.000 0.901 332 L CB -0.139 41.700 42.059 -0.368 0.000 1.098 332 L HN -0.810 7.054 8.230 -0.388 0.133 0.456 333 H N -5.522 113.470 119.070 -0.130 0.000 2.880 333 H HA -0.340 nan 4.556 nan 0.000 0.304 333 H C -1.341 173.908 175.328 -0.131 0.000 1.259 333 H CA 0.963 56.958 56.048 -0.088 0.000 1.153 333 H CB -2.800 26.962 29.762 -0.000 0.000 1.395 333 H HN -0.239 7.487 8.280 -0.571 0.212 0.420 334 L N -2.520 118.589 121.223 -0.190 0.000 2.319 334 L HA 0.213 nan 4.340 nan 0.000 0.267 334 L C -1.154 175.582 176.870 -0.224 0.000 1.011 334 L CA -1.928 52.727 54.840 -0.309 0.000 0.818 334 L CB 2.032 43.758 42.059 -0.555 0.000 1.316 334 L HN -0.748 7.332 8.230 -0.249 0.000 0.432 335 D N 0.710 120.998 120.400 -0.186 0.000 2.374 335 D HA 0.063 nan 4.640 nan 0.000 0.240 335 D C 0.823 177.054 176.300 -0.116 0.000 1.229 335 D CA -0.475 53.458 54.000 -0.111 0.000 0.895 335 D CB -0.331 40.434 40.800 -0.058 0.000 1.046 335 D HN 0.211 8.451 8.370 -0.216 0.000 0.498 336 S N 5.061 120.692 115.700 -0.116 0.000 2.500 336 S HA -0.246 nan 4.470 nan 0.000 0.239 336 S C 0.921 175.490 174.600 -0.051 0.000 0.989 336 S CA 2.196 60.338 58.200 -0.097 0.000 0.951 336 S CB -0.056 63.085 63.200 -0.097 0.000 0.759 336 S HN 0.170 8.410 8.310 -0.117 0.000 0.523 337 D N 0.025 120.401 120.400 -0.040 0.000 2.354 337 D HA 0.061 nan 4.640 nan 0.000 0.209 337 D C 0.839 177.136 176.300 -0.004 0.000 1.015 337 D CA 1.663 55.653 54.000 -0.017 0.000 0.867 337 D CB 0.450 41.241 40.800 -0.016 0.000 0.933 337 D HN -0.368 8.167 8.370 -0.049 -0.195 0.520 338 K N -1.976 118.418 120.400 -0.009 0.000 2.387 338 K HA 0.181 nan 4.320 nan 0.000 0.197 338 K C -0.621 175.989 176.600 0.016 0.000 1.127 338 K CA 1.166 57.459 56.287 0.011 0.000 0.950 338 K CB 3.230 35.740 32.500 0.018 0.000 1.017 338 K HN -0.263 7.798 8.250 -0.030 0.171 0.519 339 I N 0.486 121.045 120.570 -0.018 0.000 2.382 339 I HA 0.073 nan 4.170 nan 0.000 0.285 339 I C -1.216 174.898 176.117 -0.006 0.000 1.007 339 I CA -0.435 60.852 61.300 -0.021 0.000 1.142 339 I CB 1.188 39.138 38.000 -0.084 0.000 1.289 339 I HN 0.013 8.194 8.210 -0.048 0.000 0.453 340 D N 6.570 127.022 120.400 0.086 0.000 2.440 340 D HA 0.130 nan 4.640 nan 0.000 0.216 340 D C -1.161 175.302 176.300 0.272 0.000 1.150 340 D CA -0.397 53.689 54.000 0.143 0.000 0.832 340 D CB 0.578 41.462 40.800 0.141 0.000 0.992 340 D HN 0.319 8.985 8.370 0.121 -0.223 0.502 341 H N -4.522 114.640 119.070 0.152 0.000 2.849 341 H HA 0.135 nan 4.556 nan 0.000 0.271 341 H C -2.062 173.442 175.328 0.293 0.000 1.461 341 H CA -0.534 55.642 56.048 0.213 0.000 1.146 341 H CB 0.557 30.399 29.762 0.133 0.000 1.834 341 H HN -0.930 7.378 8.280 0.047 0.000 0.555 342 W N -0.244 121.051 121.300 -0.007 0.000 2.781 342 W HA 0.157 nan 4.660 nan 0.000 0.333 342 W C -1.839 174.617 176.519 -0.105 0.000 1.047 342 W CA -0.493 56.631 57.345 -0.368 0.000 1.236 342 W CB 2.282 31.456 29.460 -0.476 0.000 1.394 342 W HN 0.172 8.678 8.180 0.542 0.000 0.466 343 K N 8.035 127.964 120.400 -0.786 0.000 2.323 343 K HA 0.209 nan 4.320 nan 0.000 0.259 343 K C -0.630 175.178 176.600 -1.319 0.000 0.947 343 K CA -1.637 54.236 56.287 -0.689 0.000 0.819 343 K CB 2.117 34.427 32.500 -0.317 0.000 1.109 343 K HN 0.058 7.727 8.250 -0.968 0.000 0.429 344 E N 3.821 123.240 120.200 -1.302 0.000 2.012 344 E HA -0.286 nan 4.350 nan 0.000 0.197 344 E C -0.717 175.519 176.600 -0.606 0.000 1.007 344 E CA 3.054 58.747 56.400 -1.179 0.000 0.816 344 E CB 0.755 30.111 29.700 -0.573 0.000 0.762 344 E HN 0.356 8.188 8.360 -0.880 0.000 0.451 345 c N -4.071 114.294 118.600 -0.391 0.000 2.369 345 c HA 0.334 nan 4.570 nan 0.000 0.322 345 c C -0.711 173.249 174.090 -0.218 0.000 1.258 345 c CA -1.850 54.326 56.329 -0.254 0.000 1.487 345 c CB 1.211 43.624 42.510 -0.162 0.000 2.165 345 c HN -0.323 7.690 8.230 -0.362 0.000 0.483 346 T N 7.670 122.102 114.554 -0.204 0.000 2.832 346 T HA 0.245 nan 4.350 nan 0.000 0.313 346 T C 0.539 175.172 174.700 -0.112 0.000 1.035 346 T CA -0.233 61.778 62.100 -0.149 0.000 0.950 346 T CB 0.173 68.943 68.868 -0.162 0.000 0.984 346 T HN 0.467 8.456 8.240 -0.219 0.120 0.486 347 N N 7.930 126.581 118.700 -0.081 0.000 2.272 347 N HA -0.287 nan 4.740 nan 0.000 0.185 347 N C 1.469 176.960 175.510 -0.032 0.000 1.014 347 N CA 2.964 55.973 53.050 -0.069 0.000 0.870 347 N CB -0.462 37.989 38.487 -0.059 0.000 0.975 347 N HN 0.550 8.883 8.380 -0.078 0.000 0.433 348 S N 0.278 115.998 115.700 0.033 0.000 2.387 348 S HA -0.320 nan 4.470 nan 0.000 0.230 348 S C 1.953 176.670 174.600 0.195 0.000 1.035 348 S CA 2.849 61.139 58.200 0.149 0.000 1.014 348 S CB -0.346 63.045 63.200 0.318 0.000 0.836 348 S HN 0.184 8.480 8.310 0.026 0.030 0.466 349 V N 0.356 120.285 119.914 0.024 0.000 2.343 349 V HA -0.328 nan 4.120 nan 0.000 0.247 349 V C 2.058 178.087 176.094 -0.107 0.000 1.051 349 V CA 3.982 66.193 62.300 -0.147 0.000 1.036 349 V CB -0.869 30.753 31.823 -0.334 0.000 0.654 349 V HN -0.485 7.669 8.190 -0.036 0.014 0.451 350 G N -1.540 107.177 108.800 -0.138 0.000 2.394 350 G HA2 -0.264 nan 3.960 nan 0.000 0.215 350 G HA3 -0.264 nan 3.960 nan 0.000 0.215 350 G C 0.954 175.774 174.900 -0.134 0.000 1.165 350 G CA 2.020 46.998 45.100 -0.203 0.000 0.784 350 G HN -0.462 7.661 8.290 -0.124 0.093 0.535 351 T N 2.900 117.417 114.554 -0.062 0.000 2.746 351 T HA -0.245 nan 4.350 nan 0.000 0.267 351 T C 2.015 176.705 174.700 -0.017 0.000 1.039 351 T CA 2.714 64.793 62.100 -0.035 0.000 1.142 351 T CB -0.031 68.832 68.868 -0.009 0.000 0.866 351 T HN -0.338 7.803 8.240 -0.045 0.072 0.444 352 K N -0.907 119.514 120.400 0.036 0.000 2.217 352 K HA -0.084 nan 4.320 nan 0.000 0.202 352 K C 0.754 177.355 176.600 0.001 0.000 1.051 352 K CA 0.642 56.962 56.287 0.056 0.000 0.952 352 K CB 0.220 32.839 32.500 0.199 0.000 0.736 352 K HN -0.296 8.000 8.250 0.076 0.000 0.453 353 L N 1.845 123.037 121.223 -0.052 0.000 2.415 353 L HA 0.024 nan 4.340 nan 0.000 0.269 353 L C -0.150 176.623 176.870 -0.161 0.000 1.244 353 L CA -0.251 54.521 54.840 -0.113 0.000 1.113 353 L CB -0.753 41.200 42.059 -0.176 0.000 1.352 353 L HN -0.634 7.443 8.230 -0.061 0.116 0.433 354 S N 4.598 120.226 115.700 -0.121 0.000 2.501 354 S HA -0.080 nan 4.470 nan 0.000 0.220 354 S C 0.705 175.211 174.600 -0.157 0.000 0.997 354 S CA 0.792 58.918 58.200 -0.124 0.000 0.919 354 S CB 1.001 64.152 63.200 -0.081 0.000 0.778 354 S HN -0.027 8.206 8.310 -0.083 0.027 0.523 355 N N 2.577 121.174 118.700 -0.172 0.000 2.641 355 N HA -0.242 nan 4.740 nan 0.000 0.267 355 N C -2.129 173.371 175.510 -0.017 0.000 1.087 355 N CA 0.855 53.822 53.050 -0.139 0.000 0.731 355 N CB -1.266 36.996 38.487 -0.375 0.000 0.886 355 N HN -0.047 8.199 8.380 -0.152 0.043 0.547 356 P HA -0.012 nan 4.420 nan 0.000 0.229 356 P C -0.848 176.473 177.300 0.035 0.000 1.160 356 P CA 1.614 64.704 63.100 -0.016 0.000 0.777 356 P CB 0.416 32.101 31.700 -0.025 0.000 0.814 357 I N -4.350 116.258 120.570 0.063 0.000 3.570 357 I HA 0.063 nan 4.170 nan 0.000 0.270 357 I C 0.079 176.286 176.117 0.149 0.000 1.162 357 I CA -0.049 61.306 61.300 0.092 0.000 1.413 357 I CB 1.365 39.414 38.000 0.082 0.000 1.437 357 I HN -0.394 8.073 8.210 0.051 -0.226 0.457 358 S N 3.108 118.924 115.700 0.193 0.000 2.572 358 S HA -0.196 nan 4.470 nan 0.000 0.279 358 S C -1.440 173.429 174.600 0.448 0.000 1.341 358 S CA 0.935 59.336 58.200 0.334 0.000 1.043 358 S CB 0.565 63.932 63.200 0.280 0.000 0.887 358 S HN -0.529 8.337 8.310 0.136 -0.475 0.516 359 K N 2.836 123.517 120.400 0.468 0.000 2.166 359 K HA 0.403 nan 4.320 nan 0.000 0.245 359 K C -2.425 174.437 176.600 0.437 0.000 0.967 359 K CA -3.037 53.410 56.287 0.268 0.000 0.863 359 K CB -0.051 32.404 32.500 -0.075 0.000 1.107 359 K HN -0.285 8.288 8.250 0.538 0.000 0.436 360 P HA -0.049 nan 4.420 nan 0.000 0.264 360 P C 0.492 177.876 177.300 0.140 0.000 1.179 360 P CA 0.648 63.674 63.100 -0.123 0.000 0.763 360 P CB 0.492 31.890 31.700 -0.504 0.000 0.806 361 S N 3.797 119.569 115.700 0.119 0.000 2.493 361 S HA -0.340 nan 4.470 nan 0.000 0.243 361 S C 2.454 176.877 174.600 -0.296 0.000 0.991 361 S CA 3.334 61.483 58.200 -0.086 0.000 0.957 361 S CB -0.465 62.722 63.200 -0.022 0.000 0.756 361 S HN 0.630 9.414 8.310 0.130 -0.395 0.521 362 I N 4.255 124.691 120.570 -0.224 0.000 2.335 362 I HA -0.373 nan 4.170 nan 0.000 0.251 362 I C 0.962 176.963 176.117 -0.193 0.000 1.129 362 I CA 1.822 62.991 61.300 -0.220 0.000 1.402 362 I CB -0.167 37.713 38.000 -0.200 0.000 1.069 362 I HN -0.579 7.456 8.210 -0.186 0.063 0.424 363 H N -1.626 117.347 119.070 -0.161 0.000 2.546 363 H HA -0.126 nan 4.556 nan 0.000 0.277 363 H C 0.946 176.181 175.328 -0.155 0.000 1.004 363 H CA 2.328 58.293 56.048 -0.138 0.000 1.231 363 H CB -0.451 29.242 29.762 -0.115 0.000 1.382 363 H HN -0.477 7.753 8.280 -0.055 0.017 0.580 364 L N -2.400 118.444 121.223 -0.632 0.000 2.416 364 L HA 0.012 nan 4.340 nan 0.000 0.216 364 L C 0.925 177.612 176.870 -0.304 0.000 1.098 364 L CA 0.309 54.844 54.840 -0.508 0.000 0.840 364 L CB 0.271 41.919 42.059 -0.684 0.000 0.981 364 L HN -0.410 7.214 8.230 -0.698 0.187 0.462 365 L N 0.012 121.061 121.223 -0.290 0.000 1.989 365 L HA -0.246 nan 4.340 nan 0.000 0.211 365 L C -1.105 175.616 176.870 -0.247 0.000 1.071 365 L CA 5.527 60.201 54.840 -0.277 0.000 0.749 365 L CB -3.205 38.662 42.059 -0.320 0.000 0.890 365 L HN -0.758 7.175 8.230 -0.312 0.110 0.431 366 P HA -0.256 nan 4.420 nan 0.000 0.216 366 P C 1.844 179.138 177.300 -0.010 0.000 1.157 366 P CA 3.864 66.944 63.100 -0.034 0.000 0.880 366 P CB -0.848 30.885 31.700 0.055 0.000 0.791 367 G N -3.648 105.130 108.800 -0.037 0.000 2.418 367 G HA2 -0.216 nan 3.960 nan 0.000 0.217 367 G HA3 -0.216 nan 3.960 nan 0.000 0.217 367 G C 1.573 176.456 174.900 -0.028 0.000 1.158 367 G CA 1.622 46.710 45.100 -0.020 0.000 0.771 367 G HN -0.240 8.012 8.290 -0.064 0.000 0.545 368 L N 1.499 122.677 121.223 -0.075 0.000 2.046 368 L HA -0.413 nan 4.340 nan 0.000 0.208 368 L C 1.869 178.712 176.870 -0.045 0.000 1.077 368 L CA 2.784 57.585 54.840 -0.066 0.000 0.747 368 L CB -0.201 41.792 42.059 -0.109 0.000 0.896 368 L HN -0.742 7.421 8.230 -0.113 0.000 0.432 369 L N -2.388 118.784 121.223 -0.086 0.000 2.046 369 L HA -0.428 nan 4.340 nan 0.000 0.208 369 L C 3.091 180.013 176.870 0.087 0.000 1.077 369 L CA 3.217 58.027 54.840 -0.051 0.000 0.747 369 L CB -0.474 41.423 42.059 -0.271 0.000 0.896 369 L HN -0.117 8.028 8.230 -0.141 0.000 0.432 370 E N -0.850 119.414 120.200 0.107 0.000 2.204 370 E HA -0.242 nan 4.350 nan 0.000 0.194 370 E C 1.727 178.374 176.600 0.078 0.000 0.989 370 E CA 2.566 59.038 56.400 0.121 0.000 0.824 370 E CB -0.225 29.542 29.700 0.111 0.000 0.756 370 E HN -0.095 8.310 8.360 0.074 0.000 0.477 371 S N -2.655 113.076 115.700 0.053 0.000 2.522 371 S HA -0.086 nan 4.470 nan 0.000 0.227 371 S C 0.404 175.038 174.600 0.056 0.000 0.986 371 S CA 0.739 58.966 58.200 0.045 0.000 0.929 371 S CB 0.439 63.656 63.200 0.030 0.000 0.769 371 S HN -0.325 7.879 8.310 0.040 0.130 0.529 372 G N -0.395 108.446 108.800 0.069 0.000 2.179 372 G HA2 -0.342 nan 3.960 nan 0.000 0.220 372 G HA3 -0.342 nan 3.960 nan 0.000 0.220 372 G C -0.564 174.388 174.900 0.086 0.000 0.990 372 G CA -0.129 45.022 45.100 0.085 0.000 0.646 372 G HN -0.578 7.566 8.290 0.071 0.189 0.517 373 I N 1.863 122.467 120.570 0.057 0.000 2.505 373 I HA -0.201 nan 4.170 nan 0.000 0.287 373 I C -0.241 175.903 176.117 0.045 0.000 1.104 373 I CA -1.052 60.273 61.300 0.042 0.000 1.387 373 I CB -1.082 36.922 38.000 0.006 0.000 1.404 373 I HN -0.301 7.883 8.210 0.042 0.051 0.528 374 E N 7.000 127.250 120.200 0.083 0.000 2.344 374 E HA 0.028 nan 4.350 nan 0.000 0.270 374 E C -1.139 175.478 176.600 0.028 0.000 1.021 374 E CA 0.022 56.498 56.400 0.125 0.000 0.887 374 E CB 0.586 30.454 29.700 0.280 0.000 0.997 374 E HN -0.330 8.088 8.360 0.097 0.000 0.429 375 I N 3.742 124.327 120.570 0.026 0.000 2.418 375 I HA 0.499 nan 4.170 nan 0.000 0.287 375 I C -1.739 174.391 176.117 0.022 0.000 1.008 375 I CA -0.797 60.483 61.300 -0.032 0.000 1.104 375 I CB 2.205 40.134 38.000 -0.118 0.000 1.264 375 I HN 0.652 8.900 8.210 0.064 0.000 0.438 376 V N 7.909 127.842 119.914 0.031 0.000 2.378 376 V HA 0.607 nan 4.120 nan 0.000 0.288 376 V C -1.346 174.796 176.094 0.080 0.000 1.016 376 V CA -1.196 61.152 62.300 0.080 0.000 0.840 376 V CB 1.131 33.014 31.823 0.100 0.000 0.994 376 V HN 1.052 9.245 8.190 0.005 0.000 0.431 377 L N 6.973 128.216 121.223 0.033 0.000 2.287 377 L HA 0.620 nan 4.340 nan 0.000 0.280 377 L C -0.991 175.801 176.870 -0.130 0.000 1.055 377 L CA -1.263 53.542 54.840 -0.058 0.000 0.863 377 L CB -0.412 41.646 42.059 -0.001 0.000 1.245 377 L HN 0.695 8.958 8.230 0.055 0.000 0.432 378 F N 2.324 122.167 119.950 -0.178 0.000 2.394 378 F HA 0.584 nan 4.527 nan 0.000 0.340 378 F C -1.891 173.818 175.800 -0.152 0.000 1.105 378 F CA -3.026 54.835 58.000 -0.232 0.000 1.124 378 F CB 0.927 39.865 39.000 -0.102 0.000 1.145 378 F HN -0.086 8.117 8.300 -0.161 0.000 0.505 379 N N 2.057 120.713 118.700 -0.074 0.000 2.310 379 N HA 0.343 nan 4.740 nan 0.000 0.292 379 N C -1.235 174.369 175.510 0.157 0.000 1.049 379 N CA -0.349 52.712 53.050 0.017 0.000 0.849 379 N CB 4.297 42.819 38.487 0.058 0.000 1.532 379 N HN 0.606 8.890 8.380 -0.161 0.000 0.479 380 G N 1.683 110.608 108.800 0.209 0.000 2.349 380 G HA2 0.020 nan 3.960 nan 0.000 0.281 380 G HA3 0.020 nan 3.960 nan 0.000 0.281 380 G C 0.257 175.334 174.900 0.295 0.000 1.182 380 G CA -0.538 44.719 45.100 0.262 0.000 0.899 380 G HN 0.460 9.226 8.290 0.174 -0.371 0.455 381 D N 5.129 125.740 120.400 0.351 0.000 2.378 381 D HA -0.191 nan 4.640 nan 0.000 0.227 381 D C 0.810 177.374 176.300 0.440 0.000 1.012 381 D CA 1.600 55.861 54.000 0.436 0.000 0.905 381 D CB -0.550 40.550 40.800 0.501 0.000 0.895 381 D HN -0.112 8.473 8.370 0.358 0.000 0.532 382 K N -3.464 117.082 120.400 0.244 0.000 2.358 382 K HA 0.183 nan 4.320 nan 0.000 0.197 382 K C -0.679 175.957 176.600 0.060 0.000 1.025 382 K CA -1.326 54.907 56.287 -0.090 0.000 1.104 382 K CB 0.071 32.439 32.500 -0.220 0.000 0.855 382 K HN -0.372 7.935 8.250 0.234 0.084 0.531 383 D N -0.185 120.384 120.400 0.281 0.000 2.362 383 D HA 0.045 nan 4.640 nan 0.000 0.242 383 D C -0.446 176.078 176.300 0.373 0.000 1.132 383 D CA 1.275 55.456 54.000 0.301 0.000 0.907 383 D CB 1.459 42.457 40.800 0.330 0.000 1.195 383 D HN -0.744 7.754 8.370 0.301 0.053 0.429 384 L N 3.750 125.146 121.223 0.288 0.000 2.614 384 L HA 0.282 nan 4.340 nan 0.000 0.185 384 L C 1.385 178.385 176.870 0.217 0.000 1.098 384 L CA 1.425 56.428 54.840 0.271 0.000 0.852 384 L CB 1.687 43.909 42.059 0.273 0.000 1.213 384 L HN -0.343 8.006 8.230 0.199 0.000 0.491 385 I N -1.394 119.243 120.570 0.111 0.000 2.236 385 I HA -0.450 nan 4.170 nan 0.000 0.249 385 I C -0.735 175.593 176.117 0.350 0.000 1.102 385 I CA 3.662 65.056 61.300 0.156 0.000 1.365 385 I CB 0.346 38.254 38.000 -0.154 0.000 1.051 385 I HN -0.290 7.911 8.210 -0.016 0.000 0.420 386 C N -1.170 118.314 119.300 0.306 0.000 3.290 386 C HA 0.328 nan 4.460 nan 0.000 0.206 386 C C -1.011 174.061 174.990 0.137 0.000 1.639 386 C CA -2.451 56.744 59.018 0.295 0.000 1.408 386 C CB -1.517 26.454 27.740 0.386 0.000 2.197 386 C HN -0.554 8.193 8.230 0.296 -0.338 0.508 387 N N 2.285 120.958 118.700 -0.046 0.000 2.307 387 N HA -0.153 nan 4.740 nan 0.000 0.230 387 N C 0.630 176.035 175.510 -0.174 0.000 1.297 387 N CA 0.210 53.059 53.050 -0.335 0.000 0.884 387 N CB 0.609 38.330 38.487 -1.277 0.000 1.115 387 N HN -0.443 7.924 8.380 -0.021 0.000 0.436 388 N N 0.241 118.908 118.700 -0.054 0.000 2.120 388 N HA -0.406 nan 4.740 nan 0.000 0.188 388 N C 1.925 177.501 175.510 0.110 0.000 1.024 388 N CA 3.929 57.101 53.050 0.204 0.000 0.852 388 N CB -0.223 38.517 38.487 0.420 0.000 1.003 388 N HN 0.633 8.966 8.380 -0.078 0.000 0.424 389 K N 0.744 121.184 120.400 0.068 0.000 2.057 389 K HA -0.270 nan 4.320 nan 0.000 0.207 389 K C 2.046 178.635 176.600 -0.018 0.000 1.049 389 K CA 3.037 59.376 56.287 0.088 0.000 0.931 389 K CB -0.307 32.331 32.500 0.229 0.000 0.714 389 K HN -0.481 7.825 8.250 -0.009 -0.061 0.440 390 G N -2.099 106.647 108.800 -0.091 0.000 2.422 390 G HA2 -0.246 nan 3.960 nan 0.000 0.218 390 G HA3 -0.246 nan 3.960 nan 0.000 0.218 390 G C 1.435 176.274 174.900 -0.102 0.000 1.146 390 G CA 2.077 47.103 45.100 -0.123 0.000 0.769 390 G HN -0.139 8.374 8.290 -0.155 -0.316 0.547 391 V N 3.253 123.140 119.914 -0.044 0.000 2.453 391 V HA -0.299 nan 4.120 nan 0.000 0.247 391 V C 1.916 177.956 176.094 -0.090 0.000 1.048 391 V CA 3.383 65.677 62.300 -0.009 0.000 1.049 391 V CB -0.610 31.318 31.823 0.174 0.000 0.672 391 V HN -0.646 7.449 8.190 -0.017 0.085 0.457 392 L N -1.233 119.892 121.223 -0.163 0.000 2.141 392 L HA -0.425 nan 4.340 nan 0.000 0.209 392 L C 2.092 178.868 176.870 -0.156 0.000 1.094 392 L CA 3.269 57.955 54.840 -0.255 0.000 0.763 392 L CB -0.610 41.291 42.059 -0.263 0.000 0.908 392 L HN 0.045 8.210 8.230 -0.107 0.000 0.437 393 D N -0.694 119.642 120.400 -0.108 0.000 2.117 393 D HA -0.206 nan 4.640 nan 0.000 0.198 393 D C 2.536 178.765 176.300 -0.118 0.000 0.982 393 D CA 3.711 57.657 54.000 -0.090 0.000 0.828 393 D CB -0.464 40.295 40.800 -0.069 0.000 0.967 393 D HN 0.134 8.448 8.370 -0.093 0.000 0.464 394 T N 2.330 116.799 114.554 -0.142 0.000 2.720 394 T HA -0.268 nan 4.350 nan 0.000 0.268 394 T C 2.124 176.720 174.700 -0.174 0.000 1.037 394 T CA 4.401 66.403 62.100 -0.163 0.000 1.144 394 T CB -0.339 68.419 68.868 -0.183 0.000 0.864 394 T HN -0.437 7.721 8.240 -0.137 0.000 0.444 395 I N -0.120 120.324 120.570 -0.211 0.000 2.315 395 I HA -0.463 nan 4.170 nan 0.000 0.248 395 I C 2.152 178.124 176.117 -0.242 0.000 1.117 395 I CA 3.645 64.769 61.300 -0.294 0.000 1.404 395 I CB -0.335 37.378 38.000 -0.480 0.000 1.071 395 I HN -0.441 7.649 8.210 -0.200 0.000 0.419 396 D N 0.752 121.033 120.400 -0.198 0.000 2.218 396 D HA -0.196 nan 4.640 nan 0.000 0.204 396 D C 1.304 177.559 176.300 -0.076 0.000 0.976 396 D CA 2.866 56.792 54.000 -0.124 0.000 0.853 396 D CB -0.535 40.219 40.800 -0.078 0.000 0.939 396 D HN -0.149 8.024 8.370 -0.191 0.083 0.481 397 N N -3.067 115.587 118.700 -0.077 0.000 2.353 397 N HA -0.013 nan 4.740 nan 0.000 0.185 397 N C -0.774 174.718 175.510 -0.031 0.000 1.098 397 N CA 0.448 53.465 53.050 -0.055 0.000 0.872 397 N CB 1.196 39.641 38.487 -0.070 0.000 0.970 397 N HN -0.472 7.723 8.380 -0.101 0.125 0.467 398 L N 1.717 122.932 121.223 -0.013 0.000 2.369 398 L HA -0.020 nan 4.340 nan 0.000 0.279 398 L C -1.694 175.314 176.870 0.229 0.000 1.108 398 L CA -0.235 54.642 54.840 0.061 0.000 0.852 398 L CB 0.616 42.662 42.059 -0.021 0.000 1.169 398 L HN -0.731 7.284 8.230 -0.044 0.189 0.452 399 K N 8.312 128.813 120.400 0.169 0.000 2.293 399 K HA 0.403 nan 4.320 nan 0.000 0.267 399 K C -1.806 174.950 176.600 0.260 0.000 1.010 399 K CA -0.951 55.422 56.287 0.143 0.000 0.875 399 K CB 1.290 33.811 32.500 0.034 0.000 1.106 399 K HN 0.189 8.498 8.250 0.099 0.000 0.450 400 W N 3.131 124.390 121.300 -0.069 0.000 3.137 400 W HA 0.243 nan 4.660 nan 0.000 0.324 400 W C -1.205 175.288 176.519 -0.043 0.000 1.253 400 W CA -1.120 56.191 57.345 -0.056 0.000 1.183 400 W CB 1.905 31.327 29.460 -0.064 0.000 1.424 400 W HN 0.344 8.523 8.180 -0.001 0.000 0.566 401 G N 1.483 110.261 108.800 -0.036 0.000 2.258 401 G HA2 -0.579 nan 3.960 nan 0.000 0.274 401 G HA3 -0.579 nan 3.960 nan 0.000 0.274 401 G C 0.251 175.033 174.900 -0.196 0.000 1.021 401 G CA 0.921 45.928 45.100 -0.155 0.000 0.798 401 G HN 0.558 9.264 8.290 0.156 -0.323 0.507 402 G N -1.621 107.094 108.800 -0.142 0.000 2.320 402 G HA2 -0.416 nan 3.960 nan 0.000 0.242 402 G HA3 -0.416 nan 3.960 nan 0.000 0.242 402 G C -0.351 174.447 174.900 -0.169 0.000 1.033 402 G CA 0.091 45.117 45.100 -0.125 0.000 0.620 402 G HN 0.332 8.532 8.290 -0.089 0.037 0.517 403 I N 2.426 122.822 120.570 -0.290 0.000 2.412 403 I HA 0.073 nan 4.170 nan 0.000 0.296 403 I C -1.527 174.384 176.117 -0.342 0.000 0.987 403 I CA -0.981 60.136 61.300 -0.306 0.000 1.180 403 I CB 1.918 39.706 38.000 -0.354 0.000 1.340 403 I HN -0.496 7.379 8.210 -0.393 0.099 0.455 404 K N 6.450 126.730 120.400 -0.200 0.000 2.248 404 K HA 0.095 nan 4.320 nan 0.000 0.281 404 K C 0.254 176.780 176.600 -0.123 0.000 1.054 404 K CA -0.136 56.079 56.287 -0.120 0.000 0.903 404 K CB 0.555 33.017 32.500 -0.064 0.000 1.077 404 K HN 0.310 8.465 8.250 -0.159 0.000 0.474 405 G N 5.924 114.681 108.800 -0.071 0.000 2.693 405 G HA2 -0.403 nan 3.960 nan 0.000 0.226 405 G HA3 -0.403 nan 3.960 nan 0.000 0.226 405 G C -1.881 172.939 174.900 -0.133 0.000 1.354 405 G CA -0.420 44.628 45.100 -0.088 0.000 0.873 405 G HN 0.704 8.919 8.290 0.040 0.099 0.562 406 F N 1.545 121.511 119.950 0.027 0.000 2.506 406 F HA -0.043 nan 4.527 nan 0.000 0.371 406 F C 0.505 176.253 175.800 -0.087 0.000 1.078 406 F CA 0.180 58.173 58.000 -0.013 0.000 1.195 406 F CB -0.390 38.623 39.000 0.021 0.000 1.099 406 F HN 0.194 8.438 8.300 -0.093 0.000 0.548 407 S N 5.325 121.057 115.700 0.054 0.000 2.640 407 S HA 0.101 nan 4.470 nan 0.000 0.262 407 S C 0.994 175.596 174.600 0.002 0.000 1.232 407 S CA -0.734 57.449 58.200 -0.028 0.000 0.988 407 S CB 1.459 64.598 63.200 -0.102 0.000 1.034 407 S HN 0.485 9.164 8.310 0.039 -0.346 0.569 408 D N 0.358 120.746 120.400 -0.020 0.000 2.219 408 D HA -0.164 nan 4.640 nan 0.000 0.205 408 D C 0.501 176.788 176.300 -0.021 0.000 0.970 408 D CA 2.922 56.911 54.000 -0.018 0.000 0.851 408 D CB -0.110 40.677 40.800 -0.021 0.000 0.943 408 D HN 0.457 8.807 8.370 -0.034 0.000 0.488 409 D N -1.479 118.909 120.400 -0.019 0.000 2.363 409 D HA -0.024 nan 4.640 nan 0.000 0.226 409 D C -0.062 176.235 176.300 -0.006 0.000 1.020 409 D CA -0.061 53.934 54.000 -0.008 0.000 0.892 409 D CB -0.287 40.514 40.800 0.001 0.000 0.900 409 D HN -0.428 7.897 8.370 -0.026 0.029 0.531 410 A N 0.196 122.999 122.820 -0.030 0.000 2.498 410 A HA 0.011 nan 4.320 nan 0.000 0.239 410 A C 0.327 177.841 177.584 -0.118 0.000 1.068 410 A CA 0.526 52.516 52.037 -0.077 0.000 0.766 410 A CB 1.077 19.993 19.000 -0.140 0.000 1.003 410 A HN -0.623 7.325 8.150 -0.023 0.188 0.497 411 V N -3.283 116.556 119.914 -0.126 0.000 2.769 411 V HA 0.505 nan 4.120 nan 0.000 0.312 411 V C -1.456 174.363 176.094 -0.459 0.000 1.058 411 V CA -2.380 59.752 62.300 -0.280 0.000 0.952 411 V CB 2.620 34.317 31.823 -0.211 0.000 1.019 411 V HN 0.071 8.232 8.190 -0.048 0.000 0.445 412 S N 0.671 115.940 115.700 -0.719 0.000 2.546 412 S HA 0.798 nan 4.470 nan 0.000 0.274 412 S C -1.317 172.804 174.600 -0.797 0.000 1.121 412 S CA -1.150 56.726 58.200 -0.540 0.000 0.887 412 S CB 1.865 64.927 63.200 -0.230 0.000 1.094 412 S HN -0.053 7.800 8.310 -0.761 0.000 0.474 413 F N -0.275 119.719 119.950 0.074 0.000 2.645 413 F HA 0.408 nan 4.527 nan 0.000 0.310 413 F C -1.552 174.268 175.800 0.034 0.000 1.102 413 F CA -1.373 56.649 58.000 0.035 0.000 0.952 413 F CB 3.278 42.301 39.000 0.038 0.000 1.326 413 F HN 0.610 8.996 8.300 0.144 0.000 0.456 414 D N 0.504 120.947 120.400 0.072 0.000 2.210 414 D HA 0.397 nan 4.640 nan 0.000 0.249 414 D C -1.887 174.398 176.300 -0.026 0.000 1.078 414 D CA 0.775 54.601 54.000 -0.290 0.000 0.875 414 D CB 2.273 42.300 40.800 -1.288 0.000 1.175 414 D HN -0.000 8.416 8.370 0.078 0.000 0.440 415 W N 4.924 126.152 121.300 -0.120 0.000 2.632 415 W HA 0.668 nan 4.660 nan 0.000 0.328 415 W C -2.347 174.247 176.519 0.126 0.000 1.044 415 W CA -1.334 56.015 57.345 0.007 0.000 1.225 415 W CB 2.213 31.667 29.460 -0.010 0.000 1.396 415 W HN 0.751 8.916 8.180 0.159 0.111 0.499 416 I N 6.394 126.929 120.570 -0.058 0.000 2.465 416 I HA 0.345 nan 4.170 nan 0.000 0.291 416 I C -2.474 173.475 176.117 -0.281 0.000 1.014 416 I CA -1.202 59.978 61.300 -0.199 0.000 1.093 416 I CB 3.295 41.336 38.000 0.068 0.000 1.267 416 I HN 0.825 9.166 8.210 0.219 0.000 0.431 417 H N 8.771 127.556 119.070 -0.476 0.000 2.595 417 H HA 0.328 nan 4.556 nan 0.000 0.313 417 H C -1.495 173.763 175.328 -0.117 0.000 1.023 417 H CA -1.594 54.331 56.048 -0.204 0.000 1.218 417 H CB 1.529 31.166 29.762 -0.209 0.000 1.403 417 H HN 0.187 8.223 8.280 -0.408 0.000 0.477 418 K N 7.586 127.763 120.400 -0.372 0.000 2.172 418 K HA 0.211 nan 4.320 nan 0.000 0.276 418 K C -0.324 176.121 176.600 -0.258 0.000 1.013 418 K CA -0.738 55.412 56.287 -0.228 0.000 0.913 418 K CB 0.750 33.159 32.500 -0.153 0.000 1.055 418 K HN 0.165 8.173 8.250 -0.403 0.000 0.461 419 S N 3.313 118.961 115.700 -0.086 0.000 2.368 419 S HA -0.160 nan 4.470 nan 0.000 0.225 419 S C 0.331 174.900 174.600 -0.053 0.000 1.030 419 S CA 2.472 60.658 58.200 -0.024 0.000 0.999 419 S CB 0.503 63.707 63.200 0.007 0.000 0.844 419 S HN 0.450 8.727 8.310 -0.055 0.000 0.459 420 K N -0.206 120.158 120.400 -0.060 0.000 2.324 420 K HA 0.272 nan 4.320 nan 0.000 0.253 420 K C 0.009 176.568 176.600 -0.069 0.000 0.932 420 K CA -1.789 54.466 56.287 -0.053 0.000 0.799 420 K CB 2.028 34.508 32.500 -0.033 0.000 1.154 420 K HN -0.738 7.719 8.250 -0.059 -0.242 0.425 421 S N 2.613 118.274 115.700 -0.065 0.000 2.469 421 S HA -0.244 nan 4.470 nan 0.000 0.238 421 S C 0.434 175.007 174.600 -0.045 0.000 0.998 421 S CA 2.513 60.675 58.200 -0.063 0.000 0.957 421 S CB -0.123 63.045 63.200 -0.053 0.000 0.764 421 S HN 0.560 8.836 8.310 -0.057 0.000 0.514 422 T N -5.572 108.960 114.554 -0.037 0.000 3.272 422 T HA 0.104 nan 4.350 nan 0.000 0.250 422 T C -0.312 174.371 174.700 -0.028 0.000 1.082 422 T CA -1.113 60.970 62.100 -0.028 0.000 0.968 422 T CB -0.812 68.043 68.868 -0.022 0.000 1.015 422 T HN -0.459 7.705 8.240 -0.038 0.053 0.563 423 D N 2.352 122.731 120.400 -0.035 0.000 2.177 423 D HA 0.202 nan 4.640 nan 0.000 0.247 423 D C -0.791 175.491 176.300 -0.031 0.000 1.063 423 D CA -0.259 53.721 54.000 -0.034 0.000 0.867 423 D CB 2.508 43.283 40.800 -0.041 0.000 1.168 423 D HN -0.481 7.751 8.370 -0.043 0.112 0.445 424 D N -1.489 118.895 120.400 -0.027 0.000 2.388 424 D HA 0.039 nan 4.640 nan 0.000 0.221 424 D C -0.251 176.031 176.300 -0.030 0.000 1.133 424 D CA -0.159 53.826 54.000 -0.024 0.000 0.831 424 D CB 0.100 40.888 40.800 -0.020 0.000 0.962 424 D HN 0.235 8.589 8.370 -0.026 0.000 0.502 425 S N -0.104 115.575 115.700 -0.036 0.000 2.715 425 S HA -0.269 nan 4.470 nan 0.000 0.318 425 S C -0.111 174.453 174.600 -0.059 0.000 1.242 425 S CA 1.407 59.579 58.200 -0.046 0.000 1.044 425 S CB 0.259 63.431 63.200 -0.046 0.000 0.760 425 S HN -0.219 7.975 8.310 -0.035 0.094 0.501 426 E N 2.714 122.860 120.200 -0.089 0.000 2.162 426 E HA 0.028 nan 4.350 nan 0.000 0.193 426 E C -0.363 176.075 176.600 -0.271 0.000 0.953 426 E CA 0.602 56.909 56.400 -0.156 0.000 0.849 426 E CB 0.295 29.906 29.700 -0.148 0.000 0.810 426 E HN 0.154 8.466 8.360 -0.080 0.000 0.470 427 E N 0.330 120.418 120.200 -0.186 0.000 2.558 427 E HA -0.158 nan 4.350 nan 0.000 0.255 427 E C -0.954 175.600 176.600 -0.076 0.000 0.968 427 E CA 0.483 56.787 56.400 -0.161 0.000 0.939 427 E CB 0.036 29.704 29.700 -0.053 0.000 0.921 427 E HN -0.340 7.945 8.360 -0.124 0.000 0.477 428 F N 2.864 122.865 119.950 0.086 0.000 2.443 428 F HA 0.033 nan 4.527 nan 0.000 0.353 428 F C 0.237 176.057 175.800 0.034 0.000 1.101 428 F CA -0.880 57.173 58.000 0.088 0.000 1.226 428 F CB 0.718 39.870 39.000 0.255 0.000 1.140 428 F HN 0.059 8.292 8.300 -0.113 0.000 0.557 429 S N 1.935 117.596 115.700 -0.066 0.000 2.458 429 S HA 0.097 nan 4.470 nan 0.000 0.223 429 S C -0.528 173.747 174.600 -0.541 0.000 1.019 429 S CA 2.016 59.976 58.200 -0.399 0.000 0.937 429 S CB 1.045 63.631 63.200 -1.023 0.000 0.788 429 S HN 0.970 9.103 8.310 -0.122 0.104 0.511 430 G N -2.857 105.615 108.800 -0.547 0.000 2.393 430 G HA2 0.342 nan 3.960 nan 0.000 0.264 430 G HA3 0.342 nan 3.960 nan 0.000 0.264 430 G C -3.268 171.594 174.900 -0.063 0.000 1.221 430 G CA 0.812 45.389 45.100 -0.872 0.000 0.912 430 G HN -0.507 7.631 8.290 -0.252 0.000 0.483 431 Y N -3.388 116.933 120.300 0.035 0.000 2.571 431 Y HA 0.823 nan 4.550 nan 0.000 0.341 431 Y C -2.660 173.339 175.900 0.166 0.000 1.076 431 Y CA -2.017 56.178 58.100 0.158 0.000 1.029 431 Y CB 2.793 41.359 38.460 0.177 0.000 1.308 431 Y HN -0.280 7.992 8.280 -0.014 0.000 0.461 432 V N 1.001 121.087 119.914 0.286 0.000 2.588 432 V HA 0.535 nan 4.120 nan 0.000 0.304 432 V C -1.956 174.303 176.094 0.275 0.000 1.042 432 V CA -1.340 61.052 62.300 0.153 0.000 0.877 432 V CB 2.236 34.108 31.823 0.080 0.000 0.996 432 V HN 0.742 9.191 8.190 0.430 0.000 0.425 433 K N 6.214 126.733 120.400 0.199 0.000 2.463 433 K HA 0.689 nan 4.320 nan 0.000 0.255 433 K C -2.489 174.119 176.600 0.013 0.000 0.942 433 K CA -1.350 54.944 56.287 0.012 0.000 0.814 433 K CB 3.736 36.147 32.500 -0.149 0.000 1.122 433 K HN 0.460 8.828 8.250 0.195 0.000 0.425 434 Y N 6.811 127.061 120.300 -0.084 0.000 2.509 434 Y HA 0.657 nan 4.550 nan 0.000 0.341 434 Y C -2.730 173.204 175.900 0.057 0.000 1.038 434 Y CA -1.713 56.421 58.100 0.058 0.000 1.089 434 Y CB 4.028 42.572 38.460 0.140 0.000 1.241 434 Y HN 0.684 9.005 8.280 0.068 0.000 0.468 435 D N 3.734 123.592 120.400 -0.904 0.000 2.301 435 D HA 0.078 nan 4.640 nan 0.000 0.187 435 D C -1.651 174.461 176.300 -0.312 0.000 1.264 435 D CA 0.143 53.845 54.000 -0.496 0.000 0.849 435 D CB 1.554 42.423 40.800 0.114 0.000 1.828 435 D HN 0.173 7.829 8.370 -1.190 0.000 0.526 436 R N 4.617 124.930 120.500 -0.312 0.000 3.205 436 R HA -0.450 nan 4.340 nan 0.000 0.249 436 R C -0.437 176.011 176.300 0.246 0.000 0.937 436 R CA 0.903 57.063 56.100 0.100 0.000 0.641 436 R CB -2.088 28.318 30.300 0.177 0.000 1.114 436 R HN 0.728 8.782 8.270 -0.360 0.000 0.451 437 N N -8.633 110.179 118.700 0.188 0.000 2.909 437 N HA -0.472 nan 4.740 nan 0.000 0.242 437 N C -1.629 173.996 175.510 0.192 0.000 0.975 437 N CA 1.846 55.082 53.050 0.309 0.000 0.921 437 N CB -0.580 38.043 38.487 0.226 0.000 1.112 437 N HN 0.148 8.651 8.380 0.205 0.000 0.581 438 L N -0.638 120.628 121.223 0.071 0.000 2.333 438 L HA 0.561 nan 4.340 nan 0.000 0.280 438 L C -2.186 174.809 176.870 0.208 0.000 1.004 438 L CA -0.675 54.197 54.840 0.053 0.000 0.820 438 L CB 2.649 44.626 42.059 -0.137 0.000 1.247 438 L HN -0.793 7.325 8.230 -0.064 0.074 0.416 439 T N 8.405 123.114 114.554 0.257 0.000 2.824 439 T HA 0.649 nan 4.350 nan 0.000 0.282 439 T C -2.300 172.559 174.700 0.264 0.000 0.993 439 T CA -0.690 61.597 62.100 0.312 0.000 0.967 439 T CB 1.753 70.778 68.868 0.261 0.000 0.960 439 T HN 0.760 9.106 8.240 0.178 0.000 0.441 440 F N 6.873 126.928 119.950 0.174 0.000 2.443 440 F HA 0.777 nan 4.527 nan 0.000 0.335 440 F C -2.552 173.231 175.800 -0.028 0.000 1.104 440 F CA -1.787 56.280 58.000 0.112 0.000 1.013 440 F CB 3.013 42.145 39.000 0.219 0.000 1.136 440 F HN 0.756 9.298 8.300 0.405 0.000 0.470 441 V N 8.121 127.449 119.914 -0.977 0.000 2.577 441 V HA 0.463 nan 4.120 nan 0.000 0.303 441 V C -2.272 173.283 176.094 -0.900 0.000 1.042 441 V CA -1.421 60.437 62.300 -0.737 0.000 0.872 441 V CB 3.089 34.645 31.823 -0.445 0.000 0.998 441 V HN 0.510 7.978 8.190 -1.202 0.000 0.423 442 S N 5.342 120.655 115.700 -0.646 0.000 2.438 442 S HA 0.541 nan 4.470 nan 0.000 0.316 442 S C -1.362 173.229 174.600 -0.015 0.000 1.084 442 S CA -1.895 56.151 58.200 -0.257 0.000 1.107 442 S CB 1.193 64.357 63.200 -0.060 0.000 0.981 442 S HN 0.307 8.236 8.310 -0.635 0.000 0.466 443 V N 9.200 129.200 119.914 0.143 0.000 2.348 443 V HA 0.311 nan 4.120 nan 0.000 0.270 443 V C -0.483 175.780 176.094 0.282 0.000 1.037 443 V CA -1.019 61.409 62.300 0.213 0.000 0.872 443 V CB -0.393 31.600 31.823 0.283 0.000 1.002 443 V HN 0.782 8.947 8.190 0.146 0.112 0.464 444 Y N 6.832 127.261 120.300 0.215 0.000 2.526 444 Y HA -0.244 nan 4.550 nan 0.000 0.330 444 Y C 0.358 176.342 175.900 0.140 0.000 1.156 444 Y CA -1.260 56.953 58.100 0.190 0.000 1.419 444 Y CB -0.626 37.941 38.460 0.178 0.000 1.250 444 Y HN 0.325 8.560 8.280 -0.076 0.000 0.540 445 N N -1.102 117.782 118.700 0.307 0.000 2.758 445 N HA -0.524 nan 4.740 nan 0.000 0.248 445 N C -1.682 173.927 175.510 0.165 0.000 1.076 445 N CA 0.861 54.019 53.050 0.180 0.000 0.696 445 N CB -1.685 36.886 38.487 0.141 0.000 0.979 445 N HN 0.239 9.255 8.380 0.339 -0.433 0.550 446 A N -2.522 120.420 122.820 0.203 0.000 2.380 446 A HA 0.556 nan 4.320 nan 0.000 0.315 446 A C -1.621 176.100 177.584 0.228 0.000 1.101 446 A CA -1.427 50.740 52.037 0.217 0.000 0.771 446 A CB 3.315 22.460 19.000 0.242 0.000 1.287 446 A HN -0.601 7.831 8.150 0.238 -0.139 0.436 447 S N 2.243 118.115 115.700 0.286 0.000 2.566 447 S HA 0.416 nan 4.470 nan 0.000 0.277 447 S C 0.447 175.258 174.600 0.351 0.000 1.150 447 S CA -0.554 57.821 58.200 0.290 0.000 1.032 447 S CB 1.551 64.978 63.200 0.378 0.000 1.157 447 S HN 0.005 8.804 8.310 0.336 -0.288 0.507 448 H N 0.163 119.395 119.070 0.269 0.000 2.456 448 H HA -0.186 nan 4.556 nan 0.000 0.296 448 H C 0.534 176.032 175.328 0.284 0.000 1.079 448 H CA 2.740 58.950 56.048 0.271 0.000 1.322 448 H CB 0.469 30.427 29.762 0.328 0.000 1.388 448 H HN -0.177 8.349 8.280 0.410 0.000 0.538 449 M N -0.033 119.820 119.600 0.422 0.000 2.901 449 M HA 0.074 nan 4.480 nan 0.000 0.294 449 M C -0.008 176.525 176.300 0.388 0.000 1.255 449 M CA -1.082 54.420 55.300 0.338 0.000 1.274 449 M CB -0.791 31.999 32.600 0.316 0.000 1.173 449 M HN -0.562 8.071 8.290 0.626 0.032 0.525 450 V N 4.556 124.680 119.914 0.351 0.000 2.233 450 V HA -0.396 nan 4.120 nan 0.000 0.252 450 V C -0.356 175.918 176.094 0.300 0.000 1.063 450 V CA 6.791 69.312 62.300 0.367 0.000 1.032 450 V CB -2.918 29.203 31.823 0.497 0.000 0.645 450 V HN 0.274 8.643 8.190 0.298 0.000 0.446 451 P HA -0.142 nan 4.420 nan 0.000 0.225 451 P C 1.129 178.471 177.300 0.069 0.000 1.148 451 P CA 2.485 65.642 63.100 0.096 0.000 0.779 451 P CB -0.492 31.123 31.700 -0.142 0.000 0.780 452 F N -0.830 119.127 119.950 0.011 0.000 2.113 452 F HA -0.334 nan 4.527 nan 0.000 0.297 452 F C 0.534 176.357 175.800 0.040 0.000 1.103 452 F CA 3.395 61.385 58.000 -0.018 0.000 1.248 452 F CB 0.265 39.256 39.000 -0.015 0.000 0.999 452 F HN -0.057 8.280 8.300 0.322 0.156 0.475 453 D N -1.894 118.445 120.400 -0.101 0.000 2.162 453 D HA -0.099 nan 4.640 nan 0.000 0.205 453 D C 1.020 177.273 176.300 -0.077 0.000 0.964 453 D CA 2.599 56.501 54.000 -0.164 0.000 0.847 453 D CB 0.739 41.577 40.800 0.063 0.000 0.988 453 D HN -0.585 7.900 8.370 0.192 0.000 0.480 454 K N 0.135 120.546 120.400 0.018 0.000 2.682 454 K HA 0.414 nan 4.320 nan 0.000 0.189 454 K C -0.852 175.771 176.600 0.038 0.000 1.062 454 K CA -1.811 54.491 56.287 0.024 0.000 0.997 454 K CB -0.657 31.879 32.500 0.060 0.000 1.405 454 K HN -0.185 8.111 8.250 0.077 0.000 0.588 455 S N 2.908 118.609 115.700 0.002 0.000 2.345 455 S HA -0.273 nan 4.470 nan 0.000 0.220 455 S C 1.238 175.870 174.600 0.053 0.000 1.031 455 S CA 2.857 61.070 58.200 0.023 0.000 0.996 455 S CB -0.159 63.015 63.200 -0.044 0.000 0.882 455 S HN 0.197 8.484 8.310 -0.038 0.000 0.445 456 L N 0.056 121.283 121.223 0.007 0.000 1.989 456 L HA -0.216 nan 4.340 nan 0.000 0.211 456 L C 2.063 178.817 176.870 -0.194 0.000 1.071 456 L CA 3.012 57.848 54.840 -0.007 0.000 0.749 456 L CB -0.459 41.622 42.059 0.037 0.000 0.890 456 L HN -0.283 7.946 8.230 -0.003 0.000 0.431 457 V N -1.576 118.225 119.914 -0.188 0.000 2.407 457 V HA -0.343 nan 4.120 nan 0.000 0.248 457 V C 2.300 178.255 176.094 -0.231 0.000 1.055 457 V CA 3.118 65.201 62.300 -0.362 0.000 1.049 457 V CB -0.780 30.930 31.823 -0.190 0.000 0.662 457 V HN -0.084 8.061 8.190 -0.075 0.000 0.455 458 S N -1.542 114.151 115.700 -0.012 0.000 2.447 458 S HA -0.303 nan 4.470 nan 0.000 0.233 458 S C 2.348 176.884 174.600 -0.105 0.000 1.006 458 S CA 2.706 60.972 58.200 0.110 0.000 0.957 458 S CB -0.308 63.090 63.200 0.330 0.000 0.773 458 S HN -0.148 8.070 8.310 0.021 0.105 0.507 459 R N 2.155 122.511 120.500 -0.239 0.000 2.083 459 R HA -0.279 nan 4.340 nan 0.000 0.237 459 R C 2.397 178.442 176.300 -0.424 0.000 1.137 459 R CA 3.183 58.988 56.100 -0.491 0.000 0.951 459 R CB -0.410 29.757 30.300 -0.221 0.000 0.851 459 R HN -0.443 7.562 8.270 -0.189 0.152 0.434 460 G N -1.623 107.028 108.800 -0.249 0.000 2.532 460 G HA2 -0.261 nan 3.960 nan 0.000 0.222 460 G HA3 -0.261 nan 3.960 nan 0.000 0.222 460 G C 0.722 175.500 174.900 -0.203 0.000 1.102 460 G CA 1.800 46.949 45.100 0.081 0.000 0.742 460 G HN -0.402 7.539 8.290 -0.583 0.000 0.577 461 I N 1.470 121.807 120.570 -0.388 0.000 2.286 461 I HA -0.500 nan 4.170 nan 0.000 0.248 461 I C 1.446 177.313 176.117 -0.418 0.000 1.115 461 I CA 3.491 64.488 61.300 -0.505 0.000 1.392 461 I CB -0.051 37.557 38.000 -0.653 0.000 1.065 461 I HN -0.525 7.290 8.210 -0.368 0.174 0.418 462 V N -0.025 119.574 119.914 -0.524 0.000 2.358 462 V HA -0.505 nan 4.120 nan 0.000 0.246 462 V C 1.812 177.828 176.094 -0.129 0.000 1.047 462 V CA 4.364 66.460 62.300 -0.340 0.000 1.035 462 V CB -1.052 30.487 31.823 -0.474 0.000 0.658 462 V HN 0.063 7.721 8.190 -0.695 0.115 0.452 463 D N -0.249 120.042 120.400 -0.181 0.000 2.144 463 D HA -0.229 nan 4.640 nan 0.000 0.200 463 D C 2.308 178.493 176.300 -0.191 0.000 0.978 463 D CA 3.255 57.165 54.000 -0.151 0.000 0.833 463 D CB -0.459 40.282 40.800 -0.099 0.000 0.961 463 D HN -0.787 7.368 8.370 -0.226 0.079 0.470 464 I N -0.730 119.708 120.570 -0.219 0.000 2.208 464 I HA -0.499 nan 4.170 nan 0.000 0.245 464 I C 2.306 178.316 176.117 -0.178 0.000 1.097 464 I CA 3.556 64.704 61.300 -0.252 0.000 1.363 464 I CB 0.013 37.794 38.000 -0.365 0.000 1.051 464 I HN 0.071 8.058 8.210 -0.241 0.079 0.413 465 Y N 1.999 122.189 120.300 -0.184 0.000 2.070 465 Y HA -0.411 nan 4.550 nan 0.000 0.280 465 Y C 1.118 176.953 175.900 -0.109 0.000 1.148 465 Y CA 2.801 60.830 58.100 -0.118 0.000 1.125 465 Y CB -0.057 38.346 38.460 -0.095 0.000 0.975 465 Y HN -0.493 7.776 8.280 -0.004 0.009 0.492 466 S N -0.739 114.308 115.700 -1.088 0.000 2.595 466 S HA -0.254 nan 4.470 nan 0.000 0.235 466 S C 0.490 174.805 174.600 -0.476 0.000 0.974 466 S CA 0.576 58.190 58.200 -0.976 0.000 0.942 466 S CB -0.078 62.712 63.200 -0.682 0.000 0.766 466 S HN -0.456 7.433 8.310 -0.702 0.000 0.536 467 N N 0.131 118.609 118.700 -0.370 0.000 2.782 467 N HA -0.371 nan 4.740 nan 0.000 0.251 467 N C -0.979 174.398 175.510 -0.222 0.000 1.101 467 N CA 0.633 53.517 53.050 -0.277 0.000 0.764 467 N CB -0.268 38.065 38.487 -0.256 0.000 1.122 467 N HN -0.468 7.470 8.380 -0.375 0.216 0.561 468 D N 0.550 120.822 120.400 -0.213 0.000 2.994 468 D HA 0.103 nan 4.640 nan 0.000 0.240 468 D C -1.553 174.667 176.300 -0.134 0.000 1.195 468 D CA -0.501 53.406 54.000 -0.155 0.000 0.957 468 D CB -0.692 40.024 40.800 -0.140 0.000 1.105 468 D HN -0.450 7.728 8.370 -0.248 0.044 0.477 469 V N -5.773 114.052 119.914 -0.148 0.000 3.113 469 V HA 0.786 nan 4.120 nan 0.000 0.316 469 V C -1.733 174.289 176.094 -0.121 0.000 1.125 469 V CA -3.507 58.712 62.300 -0.135 0.000 1.026 469 V CB 2.973 34.680 31.823 -0.193 0.000 1.080 469 V HN -0.536 7.478 8.190 -0.164 0.078 0.444 470 M N 2.459 122.000 119.600 -0.099 0.000 2.125 470 M HA 0.422 nan 4.480 nan 0.000 0.321 470 M C -1.600 174.642 176.300 -0.096 0.000 0.983 470 M CA -0.948 54.304 55.300 -0.081 0.000 0.934 470 M CB 2.644 35.214 32.600 -0.050 0.000 1.542 470 M HN 0.195 8.435 8.290 -0.082 0.000 0.424 471 I N 6.701 127.206 120.570 -0.109 0.000 2.307 471 I HA 0.356 nan 4.170 nan 0.000 0.289 471 I C -0.611 175.488 176.117 -0.031 0.000 1.021 471 I CA -1.912 59.318 61.300 -0.116 0.000 1.224 471 I CB -0.648 37.255 38.000 -0.160 0.000 1.376 471 I HN 0.476 8.628 8.210 -0.098 0.000 0.470 472 I N 8.319 128.893 120.570 0.006 0.000 2.312 472 I HA 0.123 nan 4.170 nan 0.000 0.290 472 I C -1.739 174.423 176.117 0.075 0.000 1.008 472 I CA -2.041 59.283 61.300 0.040 0.000 1.226 472 I CB -0.009 38.023 38.000 0.053 0.000 1.371 472 I HN 0.628 8.839 8.210 0.002 0.000 0.468 473 D N 6.779 127.222 120.400 0.070 0.000 2.359 473 D HA 0.249 nan 4.640 nan 0.000 0.230 473 D C -1.459 174.885 176.300 0.074 0.000 1.118 473 D CA -0.312 53.740 54.000 0.087 0.000 0.844 473 D CB 0.400 41.247 40.800 0.078 0.000 1.059 473 D HN 0.460 8.861 8.370 0.053 0.000 0.493 474 N N 2.417 121.167 118.700 0.085 0.000 2.623 474 N HA 0.158 nan 4.740 nan 0.000 0.256 474 N C -0.631 174.921 175.510 0.070 0.000 1.045 474 N CA 0.321 53.416 53.050 0.074 0.000 0.863 474 N CB 0.419 38.956 38.487 0.083 0.000 1.182 474 N HN -0.216 8.224 8.380 0.101 0.000 0.523 475 N N 2.383 121.115 118.700 0.054 0.000 2.815 475 N HA -0.229 nan 4.740 nan 0.000 0.248 475 N C 0.186 175.722 175.510 0.044 0.000 1.110 475 N CA 0.209 53.287 53.050 0.046 0.000 0.699 475 N CB -2.226 36.289 38.487 0.046 0.000 1.040 475 N HN 0.600 9.009 8.380 0.049 0.000 0.555 476 G N -6.556 102.271 108.800 0.045 0.000 2.284 476 G HA2 -0.389 nan 3.960 nan 0.000 0.247 476 G HA3 -0.389 nan 3.960 nan 0.000 0.247 476 G C -0.868 174.057 174.900 0.041 0.000 1.012 476 G CA -0.036 45.086 45.100 0.036 0.000 0.618 476 G HN 0.290 8.609 8.290 0.048 0.000 0.521 477 K N 3.989 124.423 120.400 0.057 0.000 2.250 477 K HA 0.192 nan 4.320 nan 0.000 0.280 477 K C -1.797 174.868 176.600 0.109 0.000 1.098 477 K CA -1.485 54.842 56.287 0.067 0.000 0.916 477 K CB -0.906 31.641 32.500 0.078 0.000 1.209 477 K HN -0.288 7.882 8.250 0.062 0.117 0.461 478 N N 5.234 124.017 118.700 0.139 0.000 2.497 478 N HA 0.525 nan 4.740 nan 0.000 0.271 478 N C -1.788 173.911 175.510 0.314 0.000 1.142 478 N CA -0.156 53.048 53.050 0.257 0.000 0.965 478 N CB 1.422 40.159 38.487 0.417 0.000 1.077 478 N HN 0.063 8.498 8.380 0.092 0.000 0.462 479 V N 3.764 123.812 119.914 0.223 0.000 2.555 479 V HA 0.709 nan 4.120 nan 0.000 0.302 479 V C -1.889 174.253 176.094 0.081 0.000 1.038 479 V CA -1.256 61.151 62.300 0.178 0.000 0.887 479 V CB 2.706 34.652 31.823 0.206 0.000 0.991 479 V HN 0.797 9.094 8.190 0.179 0.000 0.434 480 M N 6.290 125.927 119.600 0.062 0.000 2.238 480 M HA 0.773 nan 4.480 nan 0.000 0.350 480 M C -2.005 174.389 176.300 0.156 0.000 1.138 480 M CA -0.687 54.585 55.300 -0.048 0.000 1.040 480 M CB 2.675 35.159 32.600 -0.193 0.000 1.639 480 M HN 0.567 8.950 8.290 0.156 0.000 0.451 481 I N 5.063 125.683 120.570 0.084 0.000 2.509 481 I HA 0.737 nan 4.170 nan 0.000 0.293 481 I C -1.797 174.372 176.117 0.088 0.000 1.020 481 I CA -1.360 60.008 61.300 0.113 0.000 1.088 481 I CB 3.049 41.072 38.000 0.038 0.000 1.267 481 I HN 0.578 8.781 8.210 -0.012 0.000 0.430 482 T N 2.801 117.427 114.554 0.120 0.000 2.883 482 T HA 0.743 nan 4.350 nan 0.000 0.301 482 T C -1.841 172.710 174.700 -0.248 0.000 1.158 482 T CA -1.974 60.163 62.100 0.063 0.000 1.007 482 T CB 3.490 72.546 68.868 0.312 0.000 1.186 482 T HN 0.400 8.718 8.240 0.130 0.000 0.499 483 T N 0.000 114.422 114.554 -0.220 0.000 3.816 483 T HA 0.000 nan 4.350 nan 0.000 0.228 483 T CA 0.000 61.900 62.100 -0.334 0.000 1.349 483 T CB 0.000 68.746 68.868 -0.203 0.000 0.612 483 T HN 0.000 8.194 8.240 -0.077 0.000 0.658