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 2p6b_1_C DATA FIRST_RESID 14 DATA SEQUENCE TDRVVKAVPF PPSHRLTAKE VFDNDGKPRV DILKAHLMKE GRLEESVALR DATA SEQUENCE IITEGASILR QEKNLLDIDA PVTVCGDIHG QFFDLMKLFE VGGSPANTRY DATA SEQUENCE LFLGDYVDRG YFSIECVLYL WALKILYPKT LFLLRGNHEC RHLTEYFTFK DATA SEQUENCE QECKIKYSER VYDACMDAFD CLPLAALMNQ QFLCVHGGLS PEINTLDDIR DATA SEQUENCE KLDRFKEPPA YGPMCDILWS DPLEDFGNEK TQEHFTHNTV RGCSYFYSYP DATA SEQUENCE AVCEFLQHNN LLSILRAHEA QDAGYRMYRK SQTTGFPSLI TIFSAPNYLD DATA SEQUENCE VYNNKAAVLK YENNVMNIRQ FNCSPHPYWL PNFMDVFTWS LPFVGEKVTE DATA SEQUENCE MLVNVLN 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 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.702 174.700 0.003 0.000 1.109 14 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 14 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 15 D N -0.092 120.315 120.400 0.012 0.000 2.219 15 D HA 0.094 5.021 4.640 0.479 0.000 0.205 15 D C 1.098 177.411 176.300 0.022 0.000 0.970 15 D CA 0.592 54.603 54.000 0.019 0.000 0.851 15 D CB -0.253 40.563 40.800 0.027 0.000 0.943 15 D HN 0.517 nan 8.370 nan 0.000 0.488 16 R N 0.491 121.009 120.500 0.029 0.000 2.912 16 R HA -0.115 4.512 4.340 0.479 0.000 0.308 16 R C 0.714 177.030 176.300 0.026 0.000 0.787 16 R CA -0.182 55.942 56.100 0.040 0.000 1.117 16 R CB 0.161 30.492 30.300 0.052 0.000 0.893 16 R HN -0.065 nan 8.270 nan 0.000 0.401 17 V N 4.757 124.683 119.914 0.021 0.000 2.239 17 V HA -0.144 4.263 4.120 0.479 0.000 0.242 17 V C 0.785 176.882 176.094 0.006 0.000 1.038 17 V CA 1.418 63.724 62.300 0.009 0.000 1.002 17 V CB -0.061 31.763 31.823 0.003 0.000 0.641 17 V HN 0.577 nan 8.190 nan 0.000 0.449 18 V N 1.795 121.711 119.914 0.003 0.000 2.153 18 V HA 0.114 4.522 4.120 0.479 0.000 0.250 18 V C 1.329 177.431 176.094 0.013 0.000 1.334 18 V CA 0.062 62.361 62.300 -0.002 0.000 1.249 18 V CB -0.498 31.314 31.823 -0.019 0.000 1.371 18 V HN 0.470 nan 8.190 nan 0.000 0.498 19 K N 2.487 122.896 120.400 0.016 0.000 2.360 19 K HA -0.073 4.534 4.320 0.479 0.000 0.201 19 K C 2.045 178.660 176.600 0.025 0.000 1.046 19 K CA 1.221 57.523 56.287 0.025 0.000 0.945 19 K CB 0.019 32.528 32.500 0.015 0.000 0.750 19 K HN 0.685 nan 8.250 nan 0.000 0.464 20 A N 1.184 124.012 122.820 0.013 0.000 2.119 20 A HA 0.018 4.626 4.320 0.479 0.000 0.216 20 A C 0.943 178.535 177.584 0.013 0.000 1.152 20 A CA 0.250 52.294 52.037 0.011 0.000 0.708 20 A CB 0.102 19.103 19.000 0.001 0.000 0.805 20 A HN 0.011 nan 8.150 nan 0.000 0.460 21 V N 2.114 122.036 119.914 0.013 0.000 2.508 21 V HA 0.168 4.576 4.120 0.479 0.000 0.281 21 V C -2.117 174.000 176.094 0.039 0.000 1.041 21 V CA -1.256 61.047 62.300 0.005 0.000 1.016 21 V CB 0.681 32.492 31.823 -0.019 0.000 0.984 21 V HN 0.271 nan 8.190 nan 0.000 0.478 22 P HA 0.121 nan 4.420 nan 0.000 0.268 22 P C -0.894 176.461 177.300 0.091 0.000 1.205 22 P CA -0.035 63.106 63.100 0.069 0.000 0.771 22 P CB 0.251 31.978 31.700 0.044 0.000 0.858 23 F N 4.454 124.400 119.950 -0.008 0.000 2.427 23 F HA 0.435 5.251 4.527 0.481 0.000 0.346 23 F C -2.064 173.734 175.800 -0.002 0.000 1.120 23 F CA -2.709 55.284 58.000 -0.012 0.000 1.033 23 F CB 0.724 39.720 39.000 -0.007 0.000 1.126 23 F HN 0.252 nan 8.300 nan 0.000 0.462 24 P HA 0.170 nan 4.420 nan 0.000 0.268 24 P C -2.547 174.867 177.300 0.189 0.000 1.204 24 P CA -0.772 62.339 63.100 0.017 0.000 0.768 24 P CB 0.001 31.631 31.700 -0.117 0.000 0.842 25 P HA 0.068 nan 4.420 nan 0.000 0.272 25 P C -0.071 177.343 177.300 0.189 0.000 1.223 25 P CA -0.004 63.218 63.100 0.203 0.000 0.784 25 P CB 0.880 32.712 31.700 0.220 0.000 0.923 26 S N -0.678 115.151 115.700 0.216 0.000 2.486 26 S HA -0.023 4.735 4.470 0.479 0.000 0.220 26 S C 0.773 175.484 174.600 0.185 0.000 1.011 26 S CA 0.324 58.631 58.200 0.177 0.000 0.921 26 S CB -0.740 62.561 63.200 0.168 0.000 0.785 26 S HN 0.683 nan 8.310 nan 0.000 0.517 27 H N 3.304 122.458 119.070 0.140 0.000 2.886 27 H HA 0.203 5.047 4.556 0.480 0.000 0.329 27 H C 0.180 175.609 175.328 0.167 0.000 1.044 27 H CA 0.192 56.314 56.048 0.124 0.000 1.456 27 H CB 0.321 30.142 29.762 0.098 0.000 1.464 27 H HN -0.004 nan 8.280 nan 0.000 0.573 28 R N 5.734 125.959 120.500 -0.458 0.000 2.229 28 R HA 0.202 4.830 4.340 0.479 0.000 0.328 28 R C -0.130 175.777 176.300 -0.654 0.000 1.009 28 R CA -0.838 55.062 56.100 -0.334 0.000 0.864 28 R CB 0.974 31.203 30.300 -0.118 0.000 1.085 28 R HN 0.659 nan 8.270 nan 0.000 0.453 29 L N 3.223 124.165 121.223 -0.470 0.000 2.578 29 L HA -0.057 4.570 4.340 0.479 0.000 0.279 29 L C 1.356 178.135 176.870 -0.151 0.000 1.227 29 L CA 0.658 55.288 54.840 -0.351 0.000 0.900 29 L CB -0.007 41.876 42.059 -0.293 0.000 1.144 29 L HN 0.714 nan 8.230 nan 0.000 0.496 30 T N -0.060 114.464 114.554 -0.049 0.000 2.847 30 T HA 0.430 5.068 4.350 0.479 0.000 0.279 30 T C 1.158 175.889 174.700 0.051 0.000 0.984 30 T CA -0.254 61.860 62.100 0.023 0.000 0.988 30 T CB 1.656 70.568 68.868 0.073 0.000 1.040 30 T HN 0.607 nan 8.240 nan 0.000 0.528 31 A N 0.863 123.733 122.820 0.084 0.000 1.883 31 A HA -0.072 4.535 4.320 0.479 0.000 0.217 31 A C 2.310 179.987 177.584 0.156 0.000 1.186 31 A CA 1.513 53.642 52.037 0.152 0.000 0.624 31 A CB -0.903 18.165 19.000 0.114 0.000 0.822 31 A HN 0.902 nan 8.150 nan 0.000 0.444 32 K N -0.543 119.915 120.400 0.096 0.000 2.362 32 K HA -0.097 4.511 4.320 0.479 0.000 0.200 32 K C 1.715 178.351 176.600 0.060 0.000 1.046 32 K CA 1.252 57.587 56.287 0.080 0.000 0.952 32 K CB -0.059 32.474 32.500 0.054 0.000 0.753 32 K HN 0.648 nan 8.250 nan 0.000 0.466 33 E N -0.160 120.068 120.200 0.046 0.000 2.170 33 E HA -0.070 4.567 4.350 0.479 0.000 0.191 33 E C 1.765 178.346 176.600 -0.032 0.000 0.981 33 E CA 0.592 57.000 56.400 0.013 0.000 0.830 33 E CB 0.404 30.114 29.700 0.017 0.000 0.775 33 E HN 0.004 nan 8.360 nan 0.000 0.470 34 V N 0.410 120.293 119.914 -0.051 0.000 2.599 34 V HA 0.001 4.408 4.120 0.479 0.000 0.245 34 V C 0.342 176.228 176.094 -0.347 0.000 1.046 34 V CA 0.880 63.054 62.300 -0.209 0.000 1.065 34 V CB 0.007 31.669 31.823 -0.269 0.000 0.703 34 V HN 0.030 nan 8.190 nan 0.000 0.464 35 F N 0.952 120.889 119.950 -0.022 0.000 2.480 35 F HA 0.528 5.342 4.527 0.479 0.000 0.329 35 F C 0.212 175.997 175.800 -0.025 0.000 1.091 35 F CA -1.547 56.435 58.000 -0.029 0.000 0.972 35 F CB 1.264 40.246 39.000 -0.030 0.000 1.150 35 F HN 0.168 nan 8.300 nan 0.000 0.467 36 D N -0.240 120.258 120.400 0.163 0.000 2.588 36 D HA 0.258 5.186 4.640 0.479 0.000 0.268 36 D C 0.474 176.818 176.300 0.073 0.000 1.176 36 D CA -0.583 53.467 54.000 0.084 0.000 1.080 36 D CB 0.270 41.093 40.800 0.038 0.000 1.186 36 D HN 0.490 nan 8.370 nan 0.000 0.619 37 N N -0.880 117.843 118.700 0.038 0.000 2.060 37 N HA -0.232 4.796 4.740 0.479 0.000 0.195 37 N C 0.612 176.131 175.510 0.015 0.000 1.028 37 N CA 1.507 54.569 53.050 0.021 0.000 0.861 37 N CB -0.174 38.321 38.487 0.012 0.000 1.029 37 N HN 0.502 nan 8.380 nan 0.000 0.428 38 D N -0.770 119.640 120.400 0.017 0.000 2.363 38 D HA 0.061 4.988 4.640 0.479 0.000 0.226 38 D C 0.854 177.162 176.300 0.013 0.000 1.020 38 D CA 0.543 54.547 54.000 0.007 0.000 0.892 38 D CB -0.192 40.609 40.800 0.002 0.000 0.900 38 D HN 0.370 nan 8.370 nan 0.000 0.531 39 G N 0.749 109.574 108.800 0.042 0.000 2.147 39 G HA2 -0.302 3.946 3.960 0.479 0.000 0.244 39 G HA3 -0.302 3.946 3.960 0.479 0.000 0.244 39 G C 0.126 175.131 174.900 0.175 0.000 1.005 39 G CA 0.118 45.253 45.100 0.060 0.000 0.713 39 G HN 0.376 nan 8.290 nan 0.000 0.515 40 K N 0.737 121.221 120.400 0.140 0.000 2.156 40 K HA 0.474 5.082 4.320 0.479 0.000 0.271 40 K C -2.600 174.014 176.600 0.023 0.000 0.995 40 K CA -2.020 54.306 56.287 0.066 0.000 0.890 40 K CB 1.747 34.225 32.500 -0.036 0.000 1.073 40 K HN 0.003 nan 8.250 nan 0.000 0.454 41 P HA 0.109 nan 4.420 nan 0.000 0.275 41 P C -0.887 176.255 177.300 -0.262 0.000 1.227 41 P CA -0.279 62.571 63.100 -0.416 0.000 0.781 41 P CB 0.565 31.994 31.700 -0.453 0.000 0.906 42 R N 2.492 122.846 120.500 -0.243 0.000 3.235 42 R HA 0.079 4.707 4.340 0.479 0.000 0.232 42 R C 1.211 177.453 176.300 -0.096 0.000 1.475 42 R CA -0.175 55.847 56.100 -0.130 0.000 1.405 42 R CB -0.316 29.929 30.300 -0.091 0.000 1.266 42 R HN 0.385 nan 8.270 nan 0.000 0.650 43 V N -1.451 118.406 119.914 -0.095 0.000 2.568 43 V HA -0.252 4.155 4.120 0.479 0.000 0.253 43 V C 1.305 177.464 176.094 0.108 0.000 1.072 43 V CA 1.621 63.912 62.300 -0.015 0.000 1.084 43 V CB -0.177 31.581 31.823 -0.107 0.000 0.676 43 V HN 0.412 nan 8.190 nan 0.000 0.469 44 D N 0.521 120.953 120.400 0.053 0.000 2.149 44 D HA 0.030 4.958 4.640 0.479 0.000 0.201 44 D C 2.166 178.503 176.300 0.063 0.000 0.972 44 D CA 1.627 55.666 54.000 0.064 0.000 0.835 44 D CB 0.037 40.860 40.800 0.038 0.000 0.966 44 D HN 0.512 nan 8.370 nan 0.000 0.476 45 I N 0.436 121.029 120.570 0.040 0.000 2.353 45 I HA -0.195 4.263 4.170 0.479 0.000 0.248 45 I C 2.280 178.440 176.117 0.072 0.000 1.119 45 I CA 0.245 61.569 61.300 0.040 0.000 1.417 45 I CB 0.040 38.039 38.000 -0.001 0.000 1.078 45 I HN -0.025 nan 8.210 nan 0.000 0.421 46 L N 1.318 122.584 121.223 0.071 0.000 1.994 46 L HA -0.229 4.399 4.340 0.479 0.000 0.208 46 L C 2.508 179.471 176.870 0.156 0.000 1.071 46 L CA 1.932 56.841 54.840 0.115 0.000 0.745 46 L CB -0.769 41.360 42.059 0.117 0.000 0.892 46 L HN 0.110 nan 8.230 nan 0.000 0.431 47 K N -0.712 119.782 120.400 0.157 0.000 2.001 47 K HA -0.236 4.371 4.320 0.479 0.000 0.214 47 K C 1.976 178.610 176.600 0.058 0.000 1.050 47 K CA 1.801 58.102 56.287 0.024 0.000 0.934 47 K CB -0.386 32.090 32.500 -0.039 0.000 0.718 47 K HN 0.388 nan 8.250 nan 0.000 0.443 48 A N 0.408 123.275 122.820 0.079 0.000 1.948 48 A HA -0.243 4.364 4.320 0.479 0.000 0.220 48 A C 1.989 179.655 177.584 0.137 0.000 1.177 48 A CA 2.131 54.224 52.037 0.095 0.000 0.636 48 A CB -0.907 18.149 19.000 0.094 0.000 0.815 48 A HN 0.646 nan 8.150 nan 0.000 0.449 49 H N -0.426 118.673 119.070 0.049 0.000 2.372 49 H HA 0.144 4.987 4.556 0.479 0.000 0.301 49 H C 1.707 177.058 175.328 0.038 0.000 1.065 49 H CA 1.576 57.655 56.048 0.052 0.000 1.364 49 H CB -0.159 29.630 29.762 0.045 0.000 1.406 49 H HN 0.362 nan 8.280 nan 0.000 0.521 50 L N -0.464 120.763 121.223 0.008 0.000 2.217 50 L HA -0.105 4.523 4.340 0.479 0.000 0.211 50 L C 2.162 178.971 176.870 -0.102 0.000 1.107 50 L CA 0.840 55.587 54.840 -0.156 0.000 0.783 50 L CB -0.292 41.547 42.059 -0.367 0.000 0.919 50 L HN 0.366 nan 8.230 nan 0.000 0.442 51 M N -0.567 119.064 119.600 0.050 0.000 2.557 51 M HA -0.120 4.648 4.480 0.479 0.000 0.259 51 M C 1.320 177.765 176.300 0.242 0.000 1.086 51 M CA 1.372 56.761 55.300 0.148 0.000 1.096 51 M CB -0.016 32.665 32.600 0.135 0.000 1.424 51 M HN 0.115 nan 8.290 nan 0.000 0.488 52 K N 0.307 120.764 120.400 0.096 0.000 2.397 52 K HA 0.134 4.742 4.320 0.479 0.000 0.202 52 K C -0.360 176.259 176.600 0.031 0.000 1.022 52 K CA 0.029 56.358 56.287 0.070 0.000 1.141 52 K CB 0.360 32.876 32.500 0.025 0.000 0.857 52 K HN 0.228 nan 8.250 nan 0.000 0.514 53 E N -0.080 120.160 120.200 0.066 0.000 2.553 53 E HA -0.147 4.491 4.350 0.479 0.000 0.264 53 E C 0.107 176.679 176.600 -0.047 0.000 1.068 53 E CA 0.252 56.709 56.400 0.094 0.000 0.774 53 E CB -1.505 28.290 29.700 0.158 0.000 1.349 53 E HN 0.542 nan 8.360 nan 0.000 0.404 54 G N 0.119 108.767 108.800 -0.253 0.000 2.477 54 G HA2 0.591 4.838 3.960 0.479 0.000 0.304 54 G HA3 0.591 4.838 3.960 0.479 0.000 0.304 54 G C -0.025 174.767 174.900 -0.180 0.000 1.175 54 G CA -0.596 44.242 45.100 -0.436 0.000 0.907 54 G HN 0.000 nan 8.290 nan 0.000 0.509 55 R N -1.031 119.477 120.500 0.013 0.000 2.875 55 R HA 0.693 5.321 4.340 0.479 0.000 0.251 55 R C -0.277 176.167 176.300 0.239 0.000 1.123 55 R CA -0.758 55.402 56.100 0.101 0.000 1.064 55 R CB 1.421 31.641 30.300 -0.132 0.000 1.205 55 R HN 0.347 nan 8.270 nan 0.000 0.503 56 L N 0.041 121.433 121.223 0.281 0.000 2.313 56 L HA 0.466 5.093 4.340 0.479 0.000 0.268 56 L C 0.019 177.002 176.870 0.189 0.000 1.010 56 L CA -0.974 53.973 54.840 0.178 0.000 0.814 56 L CB 1.449 43.598 42.059 0.150 0.000 1.304 56 L HN 0.454 nan 8.230 nan 0.000 0.441 57 E N 0.553 120.804 120.200 0.085 0.000 2.392 57 E HA -0.059 4.578 4.350 0.479 0.000 0.264 57 E C 0.578 177.258 176.600 0.133 0.000 1.024 57 E CA 0.089 56.539 56.400 0.084 0.000 0.903 57 E CB 1.074 30.797 29.700 0.039 0.000 0.963 57 E HN 0.567 nan 8.360 nan 0.000 0.432 58 E N 1.937 122.226 120.200 0.149 0.000 2.086 58 E HA -0.296 4.341 4.350 0.479 0.000 0.200 58 E C 1.793 178.416 176.600 0.037 0.000 1.012 58 E CA 1.987 58.467 56.400 0.133 0.000 0.812 58 E CB 0.039 29.807 29.700 0.113 0.000 0.743 58 E HN 0.574 nan 8.360 nan 0.000 0.453 59 S N -0.194 115.527 115.700 0.035 0.000 2.383 59 S HA -0.141 4.617 4.470 0.479 0.000 0.229 59 S C 2.119 176.734 174.600 0.024 0.000 1.030 59 S CA 1.434 59.644 58.200 0.016 0.000 1.002 59 S CB -0.605 62.606 63.200 0.018 0.000 0.829 59 S HN 0.187 nan 8.310 nan 0.000 0.467 60 V N 2.558 122.503 119.914 0.051 0.000 2.427 60 V HA -0.070 4.337 4.120 0.479 0.000 0.248 60 V C 3.145 179.279 176.094 0.067 0.000 1.051 60 V CA 1.493 63.852 62.300 0.099 0.000 1.048 60 V CB -1.601 30.282 31.823 0.099 0.000 0.666 60 V HN 0.676 nan 8.190 nan 0.000 0.456 61 A N 0.005 122.811 122.820 -0.023 0.000 1.877 61 A HA -0.165 4.443 4.320 0.479 0.000 0.216 61 A C 2.118 179.628 177.584 -0.123 0.000 1.186 61 A CA 1.775 53.722 52.037 -0.150 0.000 0.620 61 A CB -0.611 18.145 19.000 -0.407 0.000 0.822 61 A HN 0.402 nan 8.150 nan 0.000 0.443 62 L N -0.265 120.899 121.223 -0.099 0.000 2.042 62 L HA -0.149 4.479 4.340 0.479 0.000 0.210 62 L C 2.576 179.423 176.870 -0.038 0.000 1.076 62 L CA 2.195 56.985 54.840 -0.083 0.000 0.749 62 L CB -0.803 41.218 42.059 -0.062 0.000 0.893 62 L HN 0.516 nan 8.230 nan 0.000 0.432 63 R N -0.272 120.228 120.500 0.001 0.000 2.073 63 R HA -0.155 4.472 4.340 0.479 0.000 0.234 63 R C 2.362 178.713 176.300 0.085 0.000 1.134 63 R CA 1.567 57.671 56.100 0.006 0.000 0.952 63 R CB -0.279 30.012 30.300 -0.016 0.000 0.850 63 R HN 0.303 nan 8.270 nan 0.000 0.433 64 I N 0.647 121.325 120.570 0.179 0.000 2.179 64 I HA -0.312 4.145 4.170 0.479 0.000 0.242 64 I C 2.282 178.505 176.117 0.176 0.000 1.088 64 I CA 1.388 62.828 61.300 0.233 0.000 1.357 64 I CB -0.222 37.865 38.000 0.145 0.000 1.051 64 I HN 0.240 nan 8.210 nan 0.000 0.409 65 I N 0.572 121.162 120.570 0.034 0.000 2.179 65 I HA -0.298 4.159 4.170 0.479 0.000 0.242 65 I C 2.753 178.929 176.117 0.099 0.000 1.088 65 I CA 2.086 63.364 61.300 -0.036 0.000 1.357 65 I CB -0.800 37.060 38.000 -0.234 0.000 1.051 65 I HN 0.395 nan 8.210 nan 0.000 0.409 66 T N -1.779 112.798 114.554 0.039 0.000 2.777 66 T HA -0.136 4.502 4.350 0.479 0.000 0.266 66 T C 1.679 176.417 174.700 0.064 0.000 1.040 66 T CA 1.083 63.207 62.100 0.039 0.000 1.141 66 T CB -0.438 68.425 68.868 -0.008 0.000 0.868 66 T HN 0.379 nan 8.240 nan 0.000 0.444 67 E N 1.183 121.420 120.200 0.063 0.000 2.106 67 E HA 0.006 4.643 4.350 0.479 0.000 0.192 67 E C 2.564 179.206 176.600 0.070 0.000 0.984 67 E CA 0.817 57.242 56.400 0.042 0.000 0.806 67 E CB -0.531 29.178 29.700 0.017 0.000 0.750 67 E HN 0.680 nan 8.360 nan 0.000 0.458 68 G N 1.183 110.078 108.800 0.157 0.000 2.418 68 G HA2 -0.255 3.992 3.960 0.479 0.000 0.217 68 G HA3 -0.255 3.992 3.960 0.479 0.000 0.217 68 G C 1.684 176.610 174.900 0.044 0.000 1.158 68 G CA 0.850 45.989 45.100 0.065 0.000 0.771 68 G HN 0.339 nan 8.290 nan 0.000 0.545 69 A N 0.924 123.868 122.820 0.206 0.000 1.908 69 A HA -0.024 4.583 4.320 0.479 0.000 0.218 69 A C 2.708 180.355 177.584 0.105 0.000 1.181 69 A CA 2.309 54.460 52.037 0.189 0.000 0.627 69 A CB -0.697 18.414 19.000 0.184 0.000 0.818 69 A HN 0.315 nan 8.150 nan 0.000 0.445 70 S N -0.080 115.660 115.700 0.065 0.000 2.370 70 S HA -0.153 4.605 4.470 0.479 0.000 0.226 70 S C 1.809 176.426 174.600 0.030 0.000 1.033 70 S CA 1.605 59.826 58.200 0.035 0.000 1.011 70 S CB -0.525 62.681 63.200 0.010 0.000 0.852 70 S HN 0.557 nan 8.310 nan 0.000 0.457 71 I N 1.275 121.851 120.570 0.009 0.000 2.202 71 I HA -0.177 4.281 4.170 0.479 0.000 0.242 71 I C 2.129 178.255 176.117 0.015 0.000 1.091 71 I CA 1.121 62.417 61.300 -0.007 0.000 1.368 71 I CB -0.482 37.485 38.000 -0.055 0.000 1.058 71 I HN 0.226 nan 8.210 nan 0.000 0.410 72 L N 0.376 121.601 121.223 0.004 0.000 2.042 72 L HA -0.233 4.394 4.340 0.479 0.000 0.210 72 L C 2.764 179.722 176.870 0.147 0.000 1.076 72 L CA 1.385 56.249 54.840 0.040 0.000 0.749 72 L CB -0.650 41.421 42.059 0.020 0.000 0.893 72 L HN 0.246 nan 8.230 nan 0.000 0.432 73 R N 0.115 120.729 120.500 0.189 0.000 2.200 73 R HA -0.203 4.425 4.340 0.479 0.000 0.234 73 R C 2.149 178.575 176.300 0.209 0.000 1.127 73 R CA 1.368 57.638 56.100 0.283 0.000 0.989 73 R CB -0.022 30.358 30.300 0.132 0.000 0.869 73 R HN 0.492 nan 8.270 nan 0.000 0.459 74 Q N -0.213 119.662 119.800 0.126 0.000 2.331 74 Q HA -0.009 4.619 4.340 0.479 0.000 0.203 74 Q C -0.107 175.963 176.000 0.118 0.000 0.944 74 Q CA 0.471 56.331 55.803 0.095 0.000 0.892 74 Q CB 0.326 29.098 28.738 0.057 0.000 0.983 74 Q HN 0.442 nan 8.270 nan 0.000 0.482 75 E N 1.335 121.614 120.200 0.132 0.000 2.409 75 E HA 0.075 4.713 4.350 0.479 0.000 0.257 75 E C -0.424 176.250 176.600 0.123 0.000 1.150 75 E CA 0.149 56.621 56.400 0.120 0.000 0.942 75 E CB 0.604 30.376 29.700 0.121 0.000 0.979 75 E HN 0.057 nan 8.360 nan 0.000 0.447 76 K N 1.327 121.778 120.400 0.084 0.000 2.090 76 K HA 0.163 4.771 4.320 0.479 0.000 0.250 76 K C 0.778 177.398 176.600 0.034 0.000 1.004 76 K CA -0.714 55.614 56.287 0.067 0.000 0.919 76 K CB 0.476 33.002 32.500 0.044 0.000 1.045 76 K HN 0.284 nan 8.250 nan 0.000 0.471 77 N N 0.458 119.169 118.700 0.019 0.000 2.104 77 N HA -0.136 4.891 4.740 0.479 0.000 0.190 77 N C 0.174 175.678 175.510 -0.010 0.000 1.024 77 N CA 0.990 54.029 53.050 -0.018 0.000 0.853 77 N CB -0.216 38.262 38.487 -0.016 0.000 1.008 77 N HN 0.289 nan 8.380 nan 0.000 0.424 78 L N 1.803 123.026 121.223 -0.001 0.000 2.295 78 L HA 0.376 5.003 4.340 0.479 0.000 0.281 78 L C -0.731 176.125 176.870 -0.024 0.000 1.018 78 L CA -0.362 54.474 54.840 -0.008 0.000 0.841 78 L CB 0.492 42.552 42.059 0.002 0.000 1.218 78 L HN -0.063 nan 8.230 nan 0.000 0.424 79 L N 3.623 124.817 121.223 -0.050 0.000 2.436 79 L HA 0.312 4.940 4.340 0.479 0.000 0.265 79 L C -0.164 176.621 176.870 -0.141 0.000 1.168 79 L CA -0.254 54.520 54.840 -0.111 0.000 0.815 79 L CB 0.453 42.397 42.059 -0.192 0.000 1.109 79 L HN 0.530 nan 8.230 nan 0.000 0.462 80 D N 3.708 124.007 120.400 -0.169 0.000 2.472 80 D HA 0.392 5.320 4.640 0.479 0.000 0.234 80 D C -0.337 175.831 176.300 -0.220 0.000 1.088 80 D CA 0.001 53.918 54.000 -0.139 0.000 0.882 80 D CB 1.460 42.213 40.800 -0.078 0.000 1.037 80 D HN 0.256 nan 8.370 nan 0.000 0.520 81 I N 1.634 122.065 120.570 -0.232 0.000 2.339 81 I HA 0.133 4.590 4.170 0.479 0.000 0.290 81 I C 0.363 176.441 176.117 -0.066 0.000 0.994 81 I CA -0.731 60.419 61.300 -0.249 0.000 1.191 81 I CB 1.588 39.395 38.000 -0.322 0.000 1.343 81 I HN 0.091 nan 8.210 nan 0.000 0.458 82 D N 4.831 125.223 120.400 -0.014 0.000 2.294 82 D HA 0.554 5.481 4.640 0.479 0.000 0.250 82 D C -0.084 176.264 176.300 0.080 0.000 1.058 82 D CA -0.157 53.866 54.000 0.037 0.000 0.950 82 D CB 1.532 42.351 40.800 0.031 0.000 1.158 82 D HN 0.595 nan 8.370 nan 0.000 0.453 83 A N 2.102 124.985 122.820 0.105 0.000 2.332 83 A HA 0.515 5.122 4.320 0.479 0.000 0.258 83 A C -2.150 175.460 177.584 0.043 0.000 1.087 83 A CA -0.899 51.206 52.037 0.113 0.000 0.802 83 A CB 0.006 19.073 19.000 0.111 0.000 1.042 83 A HN 0.594 nan 8.150 nan 0.000 0.489 84 P HA 0.549 nan 4.420 nan 0.000 0.281 84 P C -0.937 176.382 177.300 0.032 0.000 1.264 84 P CA -0.292 62.810 63.100 0.003 0.000 0.824 84 P CB 1.636 33.306 31.700 -0.051 0.000 1.092 85 V N 0.020 119.953 119.914 0.032 0.000 3.167 85 V HA 0.347 4.755 4.120 0.479 0.000 0.293 85 V C -1.307 174.733 176.094 -0.090 0.000 1.379 85 V CA -0.355 61.940 62.300 -0.008 0.000 1.019 85 V CB 2.398 34.265 31.823 0.074 0.000 1.115 85 V HN 0.605 nan 8.190 nan 0.000 0.442 86 T N 4.716 119.115 114.554 -0.258 0.000 2.770 86 T HA 0.531 5.169 4.350 0.479 0.000 0.297 86 T C -0.483 174.070 174.700 -0.246 0.000 0.997 86 T CA -0.223 61.673 62.100 -0.341 0.000 0.949 86 T CB 1.050 69.487 68.868 -0.717 0.000 0.941 86 T HN 0.605 nan 8.240 nan 0.000 0.457 87 V N 3.707 123.521 119.914 -0.166 0.000 2.432 87 V HA 0.353 4.760 4.120 0.479 0.000 0.275 87 V C 0.307 176.280 176.094 -0.202 0.000 1.043 87 V CA -0.722 61.486 62.300 -0.152 0.000 0.925 87 V CB 0.519 32.264 31.823 -0.129 0.000 0.985 87 V HN 1.004 nan 8.190 nan 0.000 0.466 88 C N 3.715 122.833 119.300 -0.304 0.000 2.614 88 C HA 0.905 5.653 4.460 0.479 0.000 0.320 88 C C 1.044 175.923 174.990 -0.185 0.000 1.200 88 C CA -0.531 58.285 59.018 -0.337 0.000 1.700 88 C CB 1.107 28.384 27.740 -0.772 0.000 2.275 88 C HN 1.033 nan 8.230 nan 0.000 0.492 89 G N 0.348 109.067 108.800 -0.136 0.000 2.736 89 G HA2 0.506 4.753 3.960 0.479 0.000 0.229 89 G HA3 0.506 4.753 3.960 0.479 0.000 0.229 89 G C -0.989 173.797 174.900 -0.190 0.000 1.380 89 G CA -0.344 44.687 45.100 -0.115 0.000 1.040 89 G HN 0.749 nan 8.290 nan 0.000 0.568 90 D N -0.371 119.843 120.400 -0.310 0.000 2.601 90 D HA 0.055 4.982 4.640 0.479 0.000 0.229 90 D C 0.976 176.989 176.300 -0.479 0.000 1.140 90 D CA 0.189 53.904 54.000 -0.475 0.000 0.862 90 D CB 1.061 41.546 40.800 -0.525 0.000 1.192 90 D HN 0.035 nan 8.370 nan 0.000 0.480 91 I N 0.806 121.154 120.570 -0.369 0.000 3.812 91 I HA -0.034 4.424 4.170 0.479 0.000 0.292 91 I C 0.482 176.566 176.117 -0.054 0.000 1.206 91 I CA 0.306 61.528 61.300 -0.130 0.000 1.370 91 I CB -0.734 37.306 38.000 0.067 0.000 1.328 91 I HN 0.475 nan 8.210 nan 0.000 0.453 92 H N 1.929 120.945 119.070 -0.090 0.000 2.592 92 H HA -0.164 4.682 4.556 0.482 0.000 0.323 92 H C 1.536 176.865 175.328 0.001 0.000 1.117 92 H CA 0.852 56.851 56.048 -0.082 0.000 1.120 92 H CB -1.647 28.097 29.762 -0.029 0.000 1.561 92 H HN 0.627 nan 8.280 nan 0.000 0.409 93 G N 0.893 109.776 108.800 0.139 0.000 2.187 93 G HA2 -0.368 3.880 3.960 0.479 0.000 0.261 93 G HA3 -0.368 3.880 3.960 0.479 0.000 0.261 93 G C 0.471 175.571 174.900 0.333 0.000 1.000 93 G CA 0.705 45.934 45.100 0.215 0.000 0.718 93 G HN 0.628 nan 8.290 nan 0.000 0.519 94 Q N -0.600 119.373 119.800 0.288 0.000 3.150 94 Q HA 0.438 5.065 4.340 0.479 0.000 0.297 94 Q C 1.238 177.429 176.000 0.320 0.000 1.382 94 Q CA -0.826 55.173 55.803 0.327 0.000 1.059 94 Q CB -0.043 28.833 28.738 0.231 0.000 1.559 94 Q HN 0.433 nan 8.270 nan 0.000 0.548 95 F N 0.593 120.668 119.950 0.209 0.000 2.120 95 F HA -0.267 4.546 4.527 0.476 0.000 0.300 95 F C 0.955 176.626 175.800 -0.214 0.000 1.095 95 F CA 1.661 59.632 58.000 -0.049 0.000 1.249 95 F CB 0.070 38.941 39.000 -0.215 0.000 0.995 95 F HN 0.362 nan 8.300 nan 0.000 0.480 96 F N 0.314 120.211 119.950 -0.088 0.000 2.365 96 F HA -0.129 4.684 4.527 0.477 0.000 0.300 96 F C 2.202 177.950 175.800 -0.086 0.000 1.090 96 F CA 1.185 59.090 58.000 -0.159 0.000 1.408 96 F CB -0.602 38.381 39.000 -0.028 0.000 1.060 96 F HN -0.006 nan 8.300 nan 0.000 0.534 97 D N -0.328 120.163 120.400 0.152 0.000 2.271 97 D HA -0.040 4.888 4.640 0.479 0.000 0.206 97 D C 2.258 178.601 176.300 0.071 0.000 0.967 97 D CA 0.447 54.564 54.000 0.195 0.000 0.867 97 D CB -0.194 40.775 40.800 0.282 0.000 0.960 97 D HN 0.217 nan 8.370 nan 0.000 0.509 98 L N 0.771 121.963 121.223 -0.051 0.000 2.141 98 L HA -0.089 4.539 4.340 0.479 0.000 0.209 98 L C 1.961 178.729 176.870 -0.170 0.000 1.094 98 L CA 1.277 56.054 54.840 -0.106 0.000 0.763 98 L CB -0.331 41.688 42.059 -0.068 0.000 0.908 98 L HN -0.130 nan 8.230 nan 0.000 0.437 99 M N -0.647 118.759 119.600 -0.323 0.000 2.175 99 M HA -0.166 4.602 4.480 0.479 0.000 0.264 99 M C 2.266 178.494 176.300 -0.119 0.000 1.063 99 M CA 1.469 56.620 55.300 -0.248 0.000 1.119 99 M CB -1.104 31.252 32.600 -0.406 0.000 1.377 99 M HN 0.210 nan 8.290 nan 0.000 0.415 100 K N 1.064 121.370 120.400 -0.157 0.000 2.097 100 K HA -0.052 4.555 4.320 0.479 0.000 0.205 100 K C 1.923 178.227 176.600 -0.494 0.000 1.050 100 K CA 0.905 57.054 56.287 -0.230 0.000 0.938 100 K CB -0.698 31.717 32.500 -0.141 0.000 0.718 100 K HN 0.295 nan 8.250 nan 0.000 0.442 101 L N -0.315 120.561 121.223 -0.578 0.000 2.013 101 L HA -0.170 4.458 4.340 0.479 0.000 0.212 101 L C 1.793 178.410 176.870 -0.422 0.000 1.073 101 L CA 1.613 56.031 54.840 -0.703 0.000 0.753 101 L CB -0.312 41.496 42.059 -0.417 0.000 0.890 101 L HN 0.141 nan 8.230 nan 0.000 0.432 102 F N 0.365 120.250 119.950 -0.109 0.000 2.293 102 F HA -0.187 4.628 4.527 0.481 0.000 0.300 102 F C 2.567 178.362 175.800 -0.009 0.000 1.086 102 F CA 1.625 59.623 58.000 -0.004 0.000 1.375 102 F CB -0.487 38.502 39.000 -0.020 0.000 1.045 102 F HN 0.306 nan 8.300 nan 0.000 0.516 103 E N 0.254 120.486 120.200 0.053 0.000 2.072 103 E HA -0.140 4.497 4.350 0.479 0.000 0.191 103 E C 2.101 178.678 176.600 -0.038 0.000 0.985 103 E CA 1.375 57.778 56.400 0.005 0.000 0.801 103 E CB -0.049 29.625 29.700 -0.044 0.000 0.750 103 E HN 0.211 nan 8.360 nan 0.000 0.452 104 V N 0.320 120.147 119.914 -0.144 0.000 2.488 104 V HA -0.038 4.369 4.120 0.479 0.000 0.246 104 V C 2.301 178.358 176.094 -0.062 0.000 1.046 104 V CA 1.675 63.896 62.300 -0.132 0.000 1.053 104 V CB -0.195 31.471 31.823 -0.260 0.000 0.679 104 V HN 0.486 nan 8.190 nan 0.000 0.458 105 G N -0.788 107.995 108.800 -0.028 0.000 2.712 105 G HA2 0.420 4.668 3.960 0.479 0.000 0.212 105 G HA3 0.420 4.668 3.960 0.479 0.000 0.212 105 G C 0.750 175.675 174.900 0.043 0.000 1.142 105 G CA 0.721 45.825 45.100 0.007 0.000 0.789 105 G HN 1.038 nan 8.290 nan 0.000 0.535 106 G N -0.941 107.948 108.800 0.149 0.000 2.674 106 G HA2 0.192 4.439 3.960 0.479 0.000 0.686 106 G HA3 0.192 4.439 3.960 0.479 0.000 0.686 106 G C -0.197 174.878 174.900 0.290 0.000 1.195 106 G CA -0.108 45.074 45.100 0.138 0.000 0.776 106 G HN 0.879 nan 8.290 nan 0.000 0.654 107 S N 1.579 117.376 115.700 0.161 0.000 2.549 107 S HA 0.446 5.204 4.470 0.479 0.000 0.286 107 S C -0.274 174.378 174.600 0.086 0.000 1.314 107 S CA -0.158 58.112 58.200 0.116 0.000 1.062 107 S CB 0.870 64.085 63.200 0.026 0.000 0.865 107 S HN 0.405 nan 8.310 nan 0.000 0.498 108 P HA -0.018 nan 4.420 nan 0.000 0.221 108 P C 1.144 178.019 177.300 -0.708 0.000 1.145 108 P CA 1.154 64.123 63.100 -0.219 0.000 0.795 108 P CB -0.011 31.463 31.700 -0.376 0.000 0.775 109 A N 0.639 123.145 122.820 -0.523 0.000 2.019 109 A HA -0.160 4.448 4.320 0.479 0.000 0.219 109 A C 1.472 178.906 177.584 -0.249 0.000 1.164 109 A CA 1.637 53.419 52.037 -0.425 0.000 0.644 109 A CB -0.998 17.957 19.000 -0.076 0.000 0.805 109 A HN 0.422 nan 8.150 nan 0.000 0.449 110 N N -2.146 116.456 118.700 -0.162 0.000 2.301 110 N HA 0.068 5.095 4.740 0.479 0.000 0.247 110 N C -1.032 174.441 175.510 -0.063 0.000 1.347 110 N CA -0.026 52.972 53.050 -0.086 0.000 0.844 110 N CB 0.796 39.258 38.487 -0.042 0.000 1.332 110 N HN 0.076 nan 8.380 nan 0.000 0.494 111 T N 0.831 115.347 114.554 -0.063 0.000 2.921 111 T HA 0.375 5.012 4.350 0.479 0.000 0.297 111 T C -0.387 174.305 174.700 -0.012 0.000 1.013 111 T CA -0.642 61.429 62.100 -0.049 0.000 0.990 111 T CB 2.309 71.157 68.868 -0.033 0.000 1.023 111 T HN 0.033 nan 8.240 nan 0.000 0.447 112 R N 2.178 122.654 120.500 -0.040 0.000 2.308 112 R HA 0.463 5.091 4.340 0.479 0.000 0.305 112 R C -1.100 175.206 176.300 0.012 0.000 1.053 112 R CA -0.381 55.756 56.100 0.062 0.000 0.957 112 R CB 0.856 31.225 30.300 0.115 0.000 1.022 112 R HN 0.605 nan 8.270 nan 0.000 0.461 113 Y N 1.283 121.674 120.300 0.153 0.000 2.524 113 Y HA 0.460 5.297 4.550 0.478 0.000 0.344 113 Y C -0.416 175.655 175.900 0.286 0.000 1.012 113 Y CA -1.039 57.169 58.100 0.179 0.000 1.068 113 Y CB 1.960 40.610 38.460 0.316 0.000 1.249 113 Y HN 0.353 nan 8.280 nan 0.000 0.468 114 L N 3.165 124.598 121.223 0.350 0.000 2.541 114 L HA 0.559 5.186 4.340 0.479 0.000 0.266 114 L C -2.239 174.746 176.870 0.191 0.000 0.966 114 L CA -0.518 54.526 54.840 0.341 0.000 0.871 114 L CB 0.431 42.610 42.059 0.200 0.000 1.232 114 L HN 0.363 nan 8.230 nan 0.000 0.408 115 F N 4.922 125.010 119.950 0.230 0.000 2.421 115 F HA 0.441 5.253 4.527 0.475 0.000 0.337 115 F C 1.012 176.901 175.800 0.148 0.000 1.105 115 F CA -0.581 57.544 58.000 0.208 0.000 1.049 115 F CB 1.579 40.796 39.000 0.361 0.000 1.139 115 F HN 0.363 nan 8.300 nan 0.000 0.479 116 L N 3.036 124.364 121.223 0.175 0.000 2.627 116 L HA 0.355 4.982 4.340 0.479 0.000 0.232 116 L C 0.979 177.858 176.870 0.014 0.000 1.150 116 L CA 0.214 55.114 54.840 0.099 0.000 0.917 116 L CB -1.148 40.950 42.059 0.064 0.000 1.104 116 L HN 0.929 nan 8.230 nan 0.000 0.445 117 G N -0.298 108.327 108.800 -0.290 0.000 2.483 117 G HA2 -0.160 4.087 3.960 0.479 0.000 0.521 117 G HA3 -0.160 4.087 3.960 0.479 0.000 0.521 117 G C -0.541 173.690 174.900 -1.116 0.000 1.278 117 G CA -0.597 43.954 45.100 -0.915 0.000 0.965 117 G HN 0.176 nan 8.290 nan 0.000 0.504 118 D N -1.567 118.160 120.400 -1.122 0.000 2.746 118 D HA -0.151 4.777 4.640 0.479 0.000 0.241 118 D C 0.803 176.553 176.300 -0.916 0.000 1.140 118 D CA 1.618 55.065 54.000 -0.922 0.000 0.707 118 D CB -1.138 39.205 40.800 -0.762 0.000 1.034 118 D HN 0.679 nan 8.370 nan 0.000 0.423 119 Y N -1.490 118.566 120.300 -0.406 0.000 2.475 119 Y HA 0.115 4.959 4.550 0.489 0.000 0.289 119 Y C 1.724 177.464 175.900 -0.266 0.000 1.121 119 Y CA 0.624 58.562 58.100 -0.270 0.000 1.257 119 Y CB 0.106 38.473 38.460 -0.154 0.000 1.026 119 Y HN 0.236 nan 8.280 nan 0.000 0.555 120 V N -3.986 115.788 119.914 -0.234 0.000 3.181 120 V HA 0.614 5.021 4.120 0.479 0.000 0.314 120 V C -0.732 175.348 176.094 -0.023 0.000 1.173 120 V CA -1.385 60.802 62.300 -0.188 0.000 1.052 120 V CB 1.849 33.333 31.823 -0.565 0.000 1.123 120 V HN 0.103 nan 8.190 nan 0.000 0.454 121 D N -0.178 120.264 120.400 0.071 0.000 10.737 121 D HA -0.108 4.819 4.640 0.479 0.000 0.342 121 D C 0.863 177.115 176.300 -0.079 0.000 3.138 121 D CA 0.853 54.906 54.000 0.088 0.000 2.684 121 D CB -0.154 40.730 40.800 0.140 0.000 1.221 121 D HN 1.039 nan 8.370 nan 0.000 0.944 122 R N -1.464 118.930 120.500 -0.175 0.000 1.680 122 R HA -0.225 4.402 4.340 0.479 0.000 0.092 122 R C 1.106 177.132 176.300 -0.456 0.000 0.930 122 R CA 2.164 58.069 56.100 -0.326 0.000 1.943 122 R CB -1.784 28.265 30.300 -0.418 0.000 0.490 122 R HN 0.607 nan 8.270 nan 0.000 0.707 123 G N -0.571 108.069 108.800 -0.266 0.000 2.539 123 G HA2 0.341 4.588 3.960 0.479 0.000 0.258 123 G HA3 0.341 4.588 3.960 0.479 0.000 0.258 123 G C -0.133 174.521 174.900 -0.410 0.000 1.202 123 G CA -0.285 44.675 45.100 -0.234 0.000 0.851 123 G HN 0.279 nan 8.290 nan 0.000 0.556 124 Y N -0.122 120.022 120.300 -0.260 0.000 2.495 124 Y HA 0.285 5.129 4.550 0.491 0.000 0.293 124 Y C 0.301 175.728 175.900 -0.789 0.000 1.186 124 Y CA -0.230 57.541 58.100 -0.549 0.000 1.266 124 Y CB 0.137 38.059 38.460 -0.897 0.000 1.101 124 Y HN 0.389 nan 8.280 nan 0.000 0.517 125 F N -2.327 117.785 119.950 0.271 0.000 2.749 125 F HA 0.265 5.080 4.527 0.480 0.000 0.380 125 F C 1.338 177.245 175.800 0.178 0.000 1.365 125 F CA -0.397 57.752 58.000 0.247 0.000 1.186 125 F CB 0.132 39.342 39.000 0.349 0.000 1.080 125 F HN -0.205 nan 8.300 nan 0.000 0.513 126 S N 0.419 116.271 115.700 0.253 0.000 2.355 126 S HA -0.159 4.598 4.470 0.479 0.000 0.222 126 S C 2.155 176.905 174.600 0.249 0.000 1.031 126 S CA 1.137 59.474 58.200 0.229 0.000 0.993 126 S CB -0.139 63.215 63.200 0.258 0.000 0.859 126 S HN 0.454 nan 8.310 nan 0.000 0.453 127 I N 2.142 122.910 120.570 0.330 0.000 2.286 127 I HA -0.146 4.312 4.170 0.479 0.000 0.248 127 I C 1.884 178.044 176.117 0.072 0.000 1.115 127 I CA 1.445 62.894 61.300 0.249 0.000 1.392 127 I CB -0.380 37.718 38.000 0.163 0.000 1.065 127 I HN 0.096 nan 8.210 nan 0.000 0.418 128 E N -0.381 119.831 120.200 0.020 0.000 2.072 128 E HA -0.187 4.451 4.350 0.479 0.000 0.191 128 E C 2.385 178.912 176.600 -0.121 0.000 0.985 128 E CA 1.637 57.881 56.400 -0.260 0.000 0.801 128 E CB -0.665 28.595 29.700 -0.735 0.000 0.750 128 E HN 0.520 nan 8.360 nan 0.000 0.452 129 C N -0.258 119.127 119.300 0.141 0.000 2.429 129 C HA -0.079 4.668 4.460 0.479 0.000 0.277 129 C C 2.634 177.753 174.990 0.215 0.000 1.262 129 C CA 0.479 59.702 59.018 0.342 0.000 1.733 129 C CB -0.719 27.205 27.740 0.307 0.000 2.010 129 C HN 0.231 nan 8.230 nan 0.000 0.483 130 V N 0.747 120.705 119.914 0.074 0.000 2.307 130 V HA -0.184 4.223 4.120 0.479 0.000 0.245 130 V C 2.326 178.403 176.094 -0.028 0.000 1.045 130 V CA 1.742 63.987 62.300 -0.092 0.000 1.024 130 V CB -0.589 31.040 31.823 -0.323 0.000 0.651 130 V HN 0.541 nan 8.190 nan 0.000 0.449 131 L N -1.428 119.779 121.223 -0.027 0.000 2.083 131 L HA -0.209 4.418 4.340 0.479 0.000 0.209 131 L C 2.485 179.435 176.870 0.133 0.000 1.083 131 L CA 1.876 56.718 54.840 0.005 0.000 0.752 131 L CB -0.626 41.408 42.059 -0.041 0.000 0.899 131 L HN 0.379 nan 8.230 nan 0.000 0.433 132 Y N 0.485 120.818 120.300 0.055 0.000 2.200 132 Y HA -0.178 4.658 4.550 0.478 0.000 0.290 132 Y C 2.311 178.245 175.900 0.057 0.000 1.137 132 Y CA 1.350 59.501 58.100 0.083 0.000 1.163 132 Y CB -0.134 38.475 38.460 0.248 0.000 0.988 132 Y HN -0.015 nan 8.280 nan 0.000 0.518 133 L N -1.726 119.559 121.223 0.103 0.000 2.093 133 L HA -0.250 4.378 4.340 0.479 0.000 0.208 133 L C 2.469 179.301 176.870 -0.064 0.000 1.085 133 L CA 1.094 55.884 54.840 -0.083 0.000 0.755 133 L CB -0.644 41.340 42.059 -0.127 0.000 0.904 133 L HN 0.403 nan 8.230 nan 0.000 0.435 134 W N 0.031 121.203 121.300 -0.214 0.000 2.381 134 W HA -0.162 4.783 4.660 0.475 0.000 0.301 134 W C 2.632 179.051 176.519 -0.167 0.000 1.205 134 W CA 0.845 58.091 57.345 -0.164 0.000 1.285 134 W CB -0.072 29.324 29.460 -0.107 0.000 1.133 134 W HN 0.192 nan 8.180 nan 0.000 0.521 135 A N 0.584 123.415 122.820 0.019 0.000 1.883 135 A HA -0.207 4.401 4.320 0.479 0.000 0.217 135 A C 1.989 179.429 177.584 -0.239 0.000 1.186 135 A CA 1.421 53.386 52.037 -0.121 0.000 0.624 135 A CB -1.175 17.716 19.000 -0.183 0.000 0.822 135 A HN 0.249 nan 8.150 nan 0.000 0.444 136 L N -0.968 120.052 121.223 -0.338 0.000 2.131 136 L HA -0.201 4.426 4.340 0.479 0.000 0.210 136 L C 2.603 179.342 176.870 -0.218 0.000 1.092 136 L CA 1.782 56.429 54.840 -0.322 0.000 0.759 136 L CB -0.329 41.477 42.059 -0.421 0.000 0.903 136 L HN 0.364 nan 8.230 nan 0.000 0.435 137 K N 0.925 121.174 120.400 -0.252 0.000 2.097 137 K HA -0.104 4.503 4.320 0.479 0.000 0.205 137 K C 1.792 178.265 176.600 -0.212 0.000 1.050 137 K CA 1.405 57.530 56.287 -0.270 0.000 0.938 137 K CB -0.213 32.031 32.500 -0.428 0.000 0.718 137 K HN 0.218 nan 8.250 nan 0.000 0.442 138 I N 0.045 120.510 120.570 -0.175 0.000 2.315 138 I HA -0.202 4.255 4.170 0.479 0.000 0.248 138 I C 1.948 177.956 176.117 -0.183 0.000 1.117 138 I CA 0.556 61.787 61.300 -0.115 0.000 1.404 138 I CB -0.163 37.834 38.000 -0.004 0.000 1.071 138 I HN 0.139 nan 8.210 nan 0.000 0.419 139 L N -0.098 120.933 121.223 -0.321 0.000 2.131 139 L HA -0.074 4.554 4.340 0.479 0.000 0.206 139 L C 0.300 176.740 176.870 -0.716 0.000 1.087 139 L CA 1.772 56.264 54.840 -0.579 0.000 0.767 139 L CB -0.207 41.341 42.059 -0.852 0.000 0.917 139 L HN 0.150 nan 8.230 nan 0.000 0.441 140 Y N 0.039 120.252 120.300 -0.145 0.000 2.638 140 Y HA 0.367 5.204 4.550 0.478 0.000 0.367 140 Y C -1.624 174.154 175.900 -0.203 0.000 1.001 140 Y CA -2.793 55.219 58.100 -0.147 0.000 1.133 140 Y CB -0.276 38.100 38.460 -0.141 0.000 1.199 140 Y HN 0.098 nan 8.280 nan 0.000 0.642 141 P HA -0.195 nan 4.420 nan 0.000 0.218 141 P C 0.725 177.925 177.300 -0.166 0.000 1.148 141 P CA 1.563 64.585 63.100 -0.129 0.000 0.822 141 P CB 0.587 32.242 31.700 -0.075 0.000 0.784 142 K N -0.710 119.633 120.400 -0.096 0.000 2.358 142 K HA 0.140 4.748 4.320 0.479 0.000 0.197 142 K C 1.521 178.064 176.600 -0.094 0.000 1.025 142 K CA 0.753 57.023 56.287 -0.029 0.000 1.104 142 K CB -0.150 32.400 32.500 0.083 0.000 0.855 142 K HN 0.307 nan 8.250 nan 0.000 0.531 143 T N -2.923 111.481 114.554 -0.250 0.000 2.975 143 T HA 0.280 4.918 4.350 0.479 0.000 0.261 143 T C 0.419 174.943 174.700 -0.294 0.000 0.984 143 T CA -0.340 61.667 62.100 -0.156 0.000 0.911 143 T CB 0.191 69.047 68.868 -0.020 0.000 1.127 143 T HN -0.002 nan 8.240 nan 0.000 0.514 144 L N 1.776 122.699 121.223 -0.499 0.000 2.319 144 L HA 0.714 5.342 4.340 0.479 0.000 0.281 144 L C -1.762 174.765 176.870 -0.570 0.000 1.005 144 L CA -1.152 53.522 54.840 -0.276 0.000 0.828 144 L CB 1.031 43.049 42.059 -0.069 0.000 1.227 144 L HN 0.067 nan 8.230 nan 0.000 0.415 145 F N 5.113 125.169 119.950 0.176 0.000 2.480 145 F HA 0.630 5.443 4.527 0.477 0.000 0.329 145 F C -0.406 175.486 175.800 0.154 0.000 1.091 145 F CA -0.650 57.418 58.000 0.114 0.000 0.972 145 F CB 1.654 40.720 39.000 0.109 0.000 1.150 145 F HN 0.166 nan 8.300 nan 0.000 0.467 146 L N 4.298 125.646 121.223 0.208 0.000 2.381 146 L HA 0.569 5.197 4.340 0.479 0.000 0.274 146 L C -0.774 176.214 176.870 0.197 0.000 0.988 146 L CA -0.525 54.416 54.840 0.167 0.000 0.824 146 L CB 1.860 43.792 42.059 -0.212 0.000 1.263 146 L HN 0.504 nan 8.230 nan 0.000 0.410 147 L N 2.036 123.424 121.223 0.275 0.000 2.331 147 L HA 0.599 5.227 4.340 0.479 0.000 0.268 147 L C 0.103 177.052 176.870 0.132 0.000 1.015 147 L CA -0.847 54.085 54.840 0.154 0.000 0.807 147 L CB 1.860 43.982 42.059 0.105 0.000 1.293 147 L HN 0.585 nan 8.230 nan 0.000 0.451 148 R N -0.274 120.239 120.500 0.021 0.000 2.349 148 R HA 0.514 5.142 4.340 0.479 0.000 0.299 148 R C -0.276 175.867 176.300 -0.261 0.000 1.027 148 R CA -0.216 55.841 56.100 -0.072 0.000 0.958 148 R CB 1.369 31.638 30.300 -0.051 0.000 1.047 148 R HN 0.799 nan 8.270 nan 0.000 0.468 149 G N 1.287 109.783 108.800 -0.506 0.000 2.552 149 G HA2 0.045 4.292 3.960 0.479 0.000 0.324 149 G HA3 0.045 4.292 3.960 0.479 0.000 0.324 149 G C 0.440 174.942 174.900 -0.663 0.000 1.217 149 G CA -0.730 43.783 45.100 -0.978 0.000 0.989 149 G HN 0.826 nan 8.290 nan 0.000 0.490 150 N N -0.905 117.356 118.700 -0.731 0.000 2.453 150 N HA -0.144 4.883 4.740 0.479 0.000 0.183 150 N C 1.056 176.355 175.510 -0.352 0.000 1.041 150 N CA 1.049 53.725 53.050 -0.624 0.000 0.900 150 N CB -0.292 37.309 38.487 -1.477 0.000 0.961 150 N HN 0.652 nan 8.380 nan 0.000 0.443 151 H N -0.016 118.837 119.070 -0.361 0.000 2.548 151 H HA 0.124 4.937 4.556 0.427 0.000 0.268 151 H C 0.070 175.288 175.328 -0.184 0.000 0.975 151 H CA 0.322 56.270 56.048 -0.166 0.000 1.195 151 H CB 0.459 30.125 29.762 -0.160 0.000 1.397 151 H HN 0.267 nan 8.280 nan 0.000 0.572 152 E N 1.406 121.440 120.200 -0.276 0.000 2.346 152 E HA 0.075 4.713 4.350 0.479 0.000 0.317 152 E C -0.295 176.295 176.600 -0.017 0.000 1.404 152 E CA -0.203 55.886 56.400 -0.520 0.000 1.534 152 E CB -0.435 28.789 29.700 -0.793 0.000 1.309 152 E HN 0.373 nan 8.360 nan 0.000 0.499 153 C N -2.669 116.746 119.300 0.191 0.000 3.332 153 C HA 0.501 5.249 4.460 0.479 0.000 0.329 153 C C 1.365 176.560 174.990 0.342 0.000 1.434 153 C CA -1.021 58.164 59.018 0.279 0.000 1.314 153 C CB 1.625 29.511 27.740 0.242 0.000 1.664 153 C HN 0.448 nan 8.230 nan 0.000 0.457 154 R N -0.455 120.231 120.500 0.311 0.000 2.073 154 R HA -0.042 4.586 4.340 0.479 0.000 0.229 154 R C 2.106 178.632 176.300 0.376 0.000 1.120 154 R CA 2.009 58.317 56.100 0.347 0.000 0.967 154 R CB -0.682 29.780 30.300 0.271 0.000 0.862 154 R HN 0.912 nan 8.270 nan 0.000 0.436 155 H N 0.863 120.076 119.070 0.239 0.000 2.289 155 H HA -0.132 4.706 4.556 0.470 0.000 0.296 155 H C 1.662 177.149 175.328 0.265 0.000 1.091 155 H CA 1.836 58.010 56.048 0.211 0.000 1.274 155 H CB -0.081 29.780 29.762 0.166 0.000 1.364 155 H HN -0.012 nan 8.280 nan 0.000 0.490 156 L N -0.015 121.372 121.223 0.274 0.000 2.072 156 L HA -0.084 4.544 4.340 0.479 0.000 0.205 156 L C 2.764 179.921 176.870 0.479 0.000 1.079 156 L CA 2.025 57.064 54.840 0.332 0.000 0.752 156 L CB -1.058 41.147 42.059 0.242 0.000 0.906 156 L HN 0.584 nan 8.230 nan 0.000 0.436 157 T N -3.677 111.157 114.554 0.467 0.000 2.962 157 T HA -0.194 4.443 4.350 0.479 0.000 0.270 157 T C 1.698 176.643 174.700 0.408 0.000 1.088 157 T CA 1.213 63.651 62.100 0.562 0.000 1.127 157 T CB -0.240 69.100 68.868 0.787 0.000 0.883 157 T HN 0.399 nan 8.240 nan 0.000 0.493 158 E N -0.241 120.143 120.200 0.306 0.000 2.072 158 E HA -0.105 4.532 4.350 0.479 0.000 0.190 158 E C 1.899 178.542 176.600 0.073 0.000 0.982 158 E CA 0.571 57.055 56.400 0.140 0.000 0.803 158 E CB -0.209 29.575 29.700 0.140 0.000 0.755 158 E HN 0.639 nan 8.360 nan 0.000 0.453 159 Y N -0.289 119.963 120.300 -0.081 0.000 2.263 159 Y HA -0.077 4.750 4.550 0.462 0.000 0.292 159 Y C 0.951 176.672 175.900 -0.299 0.000 1.130 159 Y CA 1.191 59.133 58.100 -0.263 0.000 1.179 159 Y CB -0.045 38.121 38.460 -0.490 0.000 0.998 159 Y HN -0.007 nan 8.280 nan 0.000 0.532 160 F N -0.665 119.324 119.950 0.064 0.000 2.220 160 F HA 0.044 4.763 4.527 0.319 0.000 0.266 160 F C 2.423 178.226 175.800 0.004 0.000 1.279 160 F CA 1.722 59.730 58.000 0.014 0.000 1.066 160 F CB -0.921 38.201 39.000 0.203 0.000 0.981 160 F HN -0.092 nan 8.300 nan 0.000 0.537 161 T N -3.953 110.807 114.554 0.343 0.000 2.992 161 T HA 0.060 4.697 4.350 0.479 0.000 0.255 161 T C 1.585 176.467 174.700 0.303 0.000 0.938 161 T CA -0.037 62.215 62.100 0.253 0.000 0.895 161 T CB -0.805 68.155 68.868 0.152 0.000 1.221 161 T HN 0.094 nan 8.240 nan 0.000 0.512 162 F N 3.122 123.180 119.950 0.180 0.000 2.065 162 F HA 0.050 4.864 4.527 0.478 0.000 0.298 162 F C 2.228 178.079 175.800 0.085 0.000 1.112 162 F CA 1.747 59.841 58.000 0.157 0.000 1.212 162 F CB -0.337 38.832 39.000 0.281 0.000 0.975 162 F HN 0.155 nan 8.300 nan 0.000 0.476 163 K N -0.188 120.193 120.400 -0.032 0.000 2.020 163 K HA -0.325 4.283 4.320 0.479 0.000 0.212 163 K C 2.261 178.598 176.600 -0.439 0.000 1.050 163 K CA 2.004 57.957 56.287 -0.556 0.000 0.929 163 K CB -0.472 31.620 32.500 -0.679 0.000 0.714 163 K HN 0.295 nan 8.250 nan 0.000 0.443 164 Q N 1.018 120.678 119.800 -0.234 0.000 2.181 164 Q HA -0.208 4.419 4.340 0.479 0.000 0.205 164 Q C 1.799 177.582 176.000 -0.360 0.000 0.980 164 Q CA 2.069 57.765 55.803 -0.179 0.000 0.862 164 Q CB -0.077 28.670 28.738 0.015 0.000 0.905 164 Q HN 0.474 nan 8.270 nan 0.000 0.429 165 E N -1.162 118.715 120.200 -0.538 0.000 2.051 165 E HA -0.191 4.446 4.350 0.479 0.000 0.192 165 E C 1.832 178.029 176.600 -0.672 0.000 0.991 165 E CA 1.408 57.131 56.400 -1.128 0.000 0.799 165 E CB -0.190 28.973 29.700 -0.895 0.000 0.748 165 E HN 0.519 nan 8.360 nan 0.000 0.449 166 C N 0.952 119.932 119.300 -0.532 0.000 2.413 166 C HA -0.088 4.660 4.460 0.479 0.000 0.276 166 C C 2.544 177.404 174.990 -0.217 0.000 1.248 166 C CA 0.847 59.653 59.018 -0.354 0.000 1.742 166 C CB -0.705 26.785 27.740 -0.417 0.000 2.017 166 C HN 0.436 nan 8.230 nan 0.000 0.481 167 K N 0.352 120.595 120.400 -0.262 0.000 2.057 167 K HA -0.090 4.517 4.320 0.479 0.000 0.207 167 K C 1.837 178.347 176.600 -0.149 0.000 1.049 167 K CA 1.159 57.340 56.287 -0.176 0.000 0.931 167 K CB -0.131 32.261 32.500 -0.179 0.000 0.714 167 K HN 0.423 nan 8.250 nan 0.000 0.440 168 I N 1.311 121.753 120.570 -0.213 0.000 2.277 168 I HA -0.184 4.273 4.170 0.479 0.000 0.243 168 I C 1.891 177.906 176.117 -0.170 0.000 1.094 168 I CA 1.493 62.696 61.300 -0.162 0.000 1.393 168 I CB -0.687 37.203 38.000 -0.183 0.000 1.078 168 I HN 0.121 nan 8.210 nan 0.000 0.417 169 K N -0.883 119.357 120.400 -0.266 0.000 2.167 169 K HA -0.067 4.541 4.320 0.479 0.000 0.203 169 K C 1.048 177.333 176.600 -0.525 0.000 1.052 169 K CA 1.189 57.281 56.287 -0.327 0.000 0.956 169 K CB 0.250 32.566 32.500 -0.306 0.000 0.735 169 K HN 0.216 nan 8.250 nan 0.000 0.451 170 Y N -0.881 119.340 120.300 -0.132 0.000 2.473 170 Y HA 0.138 4.974 4.550 0.478 0.000 0.094 170 Y C 0.423 176.268 175.900 -0.092 0.000 0.933 170 Y CA -0.368 57.673 58.100 -0.098 0.000 1.798 170 Y CB 0.506 38.900 38.460 -0.110 0.000 1.118 170 Y HN -0.095 nan 8.280 nan 0.000 0.223 171 S N -1.101 114.664 115.700 0.109 0.000 2.643 171 S HA 0.237 4.994 4.470 0.479 0.000 0.270 171 S C 0.054 174.648 174.600 -0.010 0.000 1.166 171 S CA -0.519 57.693 58.200 0.020 0.000 0.815 171 S CB 1.709 64.928 63.200 0.031 0.000 1.139 171 S HN 0.449 nan 8.310 nan 0.000 0.472 172 E N 0.269 120.459 120.200 -0.017 0.000 2.268 172 E HA -0.037 4.600 4.350 0.479 0.000 0.195 172 E C 1.832 178.462 176.600 0.050 0.000 0.995 172 E CA 0.658 57.062 56.400 0.006 0.000 0.836 172 E CB -0.037 29.657 29.700 -0.009 0.000 0.763 172 E HN 0.542 nan 8.360 nan 0.000 0.491 173 R N -0.165 120.342 120.500 0.012 0.000 2.096 173 R HA -0.096 4.532 4.340 0.479 0.000 0.235 173 R C 2.322 178.595 176.300 -0.046 0.000 1.127 173 R CA 1.291 57.387 56.100 -0.008 0.000 0.968 173 R CB -0.260 30.032 30.300 -0.012 0.000 0.861 173 R HN 0.148 nan 8.270 nan 0.000 0.440 174 V N 0.433 120.310 119.914 -0.063 0.000 2.427 174 V HA -0.257 4.151 4.120 0.479 0.000 0.248 174 V C 1.979 177.970 176.094 -0.170 0.000 1.051 174 V CA 1.574 63.783 62.300 -0.151 0.000 1.048 174 V CB -0.637 31.064 31.823 -0.203 0.000 0.666 174 V HN 0.272 nan 8.190 nan 0.000 0.456 175 Y N 1.584 121.736 120.300 -0.245 0.000 2.114 175 Y HA -0.231 4.603 4.550 0.472 0.000 0.284 175 Y C 2.429 178.226 175.900 -0.171 0.000 1.143 175 Y CA 2.024 59.961 58.100 -0.272 0.000 1.135 175 Y CB -0.471 37.842 38.460 -0.246 0.000 0.980 175 Y HN 0.307 nan 8.280 nan 0.000 0.499 176 D N 0.302 120.630 120.400 -0.119 0.000 2.158 176 D HA -0.222 4.706 4.640 0.479 0.000 0.197 176 D C 2.255 178.421 176.300 -0.224 0.000 0.995 176 D CA 1.566 55.464 54.000 -0.172 0.000 0.846 176 D CB -0.594 40.189 40.800 -0.027 0.000 0.941 176 D HN 0.513 nan 8.370 nan 0.000 0.456 177 A N 0.435 123.134 122.820 -0.202 0.000 1.933 177 A HA -0.175 4.432 4.320 0.479 0.000 0.218 177 A C 2.570 179.962 177.584 -0.321 0.000 1.175 177 A CA 1.211 53.126 52.037 -0.204 0.000 0.628 177 A CB -0.862 18.034 19.000 -0.175 0.000 0.814 177 A HN 0.342 nan 8.150 nan 0.000 0.444 178 C N -0.907 118.114 119.300 -0.466 0.000 2.446 178 C HA -0.094 4.653 4.460 0.479 0.000 0.277 178 C C 2.866 177.271 174.990 -0.976 0.000 1.275 178 C CA 1.224 59.760 59.018 -0.803 0.000 1.727 178 C CB -0.983 26.352 27.740 -0.675 0.000 2.010 178 C HN 0.570 nan 8.230 nan 0.000 0.486 179 M N 0.717 119.936 119.600 -0.636 0.000 2.159 179 M HA -0.105 4.663 4.480 0.479 0.000 0.263 179 M C 1.653 177.865 176.300 -0.147 0.000 1.063 179 M CA 1.651 56.741 55.300 -0.349 0.000 1.110 179 M CB -1.515 30.894 32.600 -0.318 0.000 1.374 179 M HN 0.342 nan 8.290 nan 0.000 0.411 180 D N 0.489 120.799 120.400 -0.150 0.000 2.117 180 D HA -0.037 4.891 4.640 0.479 0.000 0.197 180 D C 2.028 178.354 176.300 0.044 0.000 0.987 180 D CA 1.640 55.625 54.000 -0.025 0.000 0.829 180 D CB -0.099 40.682 40.800 -0.033 0.000 0.961 180 D HN 0.324 nan 8.370 nan 0.000 0.460 181 A N 0.280 123.086 122.820 -0.023 0.000 1.930 181 A HA -0.134 4.473 4.320 0.479 0.000 0.217 181 A C 1.879 179.671 177.584 0.346 0.000 1.175 181 A CA 0.787 52.921 52.037 0.161 0.000 0.627 181 A CB -0.800 18.298 19.000 0.163 0.000 0.815 181 A HN 0.110 nan 8.150 nan 0.000 0.443 182 F N 1.061 121.115 119.950 0.173 0.000 2.216 182 F HA -0.121 4.699 4.527 0.487 0.000 0.300 182 F C 1.810 177.679 175.800 0.115 0.000 1.085 182 F CA 0.864 58.965 58.000 0.168 0.000 1.326 182 F CB -0.852 38.207 39.000 0.099 0.000 1.027 182 F HN 0.264 nan 8.300 nan 0.000 0.497 183 D N -0.978 119.593 120.400 0.285 0.000 2.264 183 D HA -0.114 4.814 4.640 0.479 0.000 0.208 183 D C 2.191 178.558 176.300 0.111 0.000 0.966 183 D CA 0.903 55.013 54.000 0.184 0.000 0.864 183 D CB -0.384 40.540 40.800 0.206 0.000 0.933 183 D HN 0.270 nan 8.370 nan 0.000 0.499 184 C N 0.337 119.767 119.300 0.216 0.000 2.533 184 C HA 0.163 4.910 4.460 0.479 0.000 0.272 184 C C 1.289 176.300 174.990 0.035 0.000 1.371 184 C CA -0.691 58.454 59.018 0.211 0.000 1.758 184 C CB -0.696 27.252 27.740 0.348 0.000 1.972 184 C HN 0.226 nan 8.230 nan 0.000 0.522 185 L N 2.552 123.830 121.223 0.091 0.000 2.601 185 L HA 0.082 4.710 4.340 0.479 0.000 0.277 185 L C -2.096 174.756 176.870 -0.030 0.000 1.219 185 L CA -0.771 54.107 54.840 0.064 0.000 0.915 185 L CB -0.080 42.067 42.059 0.147 0.000 1.160 185 L HN -0.039 nan 8.230 nan 0.000 0.494 186 P HA -0.003 nan 4.420 nan 0.000 0.268 186 P C 0.476 177.763 177.300 -0.022 0.000 1.208 186 P CA 0.032 63.116 63.100 -0.026 0.000 0.777 186 P CB 0.604 32.320 31.700 0.026 0.000 0.875 187 L N 0.322 121.523 121.223 -0.037 0.000 2.416 187 L HA 0.339 4.966 4.340 0.479 0.000 0.216 187 L C 1.043 177.908 176.870 -0.009 0.000 1.098 187 L CA 0.519 55.342 54.840 -0.028 0.000 0.840 187 L CB -0.171 41.865 42.059 -0.038 0.000 0.981 187 L HN 0.404 nan 8.230 nan 0.000 0.462 188 A N -0.375 122.442 122.820 -0.004 0.000 2.557 188 A HA 0.871 5.478 4.320 0.479 0.000 0.292 188 A C -1.748 175.833 177.584 -0.005 0.000 1.139 188 A CA -0.007 52.031 52.037 0.001 0.000 0.665 188 A CB 1.312 20.312 19.000 0.001 0.000 1.285 188 A HN -0.032 nan 8.150 nan 0.000 0.433 189 A N -0.460 122.356 122.820 -0.007 0.000 2.520 189 A HA 0.648 5.256 4.320 0.479 0.000 0.298 189 A C -1.795 175.779 177.584 -0.017 0.000 1.051 189 A CA -0.389 51.626 52.037 -0.037 0.000 0.690 189 A CB 1.364 20.330 19.000 -0.057 0.000 1.281 189 A HN 1.900 nan 8.150 nan 0.000 0.402 190 L N 3.307 124.510 121.223 -0.034 0.000 2.264 190 L HA 0.555 5.183 4.340 0.479 0.000 0.287 190 L C -0.219 176.638 176.870 -0.023 0.000 1.039 190 L CA -0.256 54.576 54.840 -0.015 0.000 0.829 190 L CB 0.865 42.908 42.059 -0.026 0.000 1.211 190 L HN 0.777 nan 8.230 nan 0.000 0.427 191 M N 4.844 124.460 119.600 0.026 0.000 2.113 191 M HA 0.215 4.982 4.480 0.479 0.000 0.352 191 M C 0.524 176.867 176.300 0.071 0.000 1.170 191 M CA 0.124 55.455 55.300 0.052 0.000 1.053 191 M CB 0.317 32.970 32.600 0.089 0.000 1.601 191 M HN 0.835 nan 8.290 nan 0.000 0.459 192 N N 3.500 122.234 118.700 0.057 0.000 2.693 192 N HA -0.244 4.784 4.740 0.479 0.000 0.249 192 N C -0.592 174.897 175.510 -0.035 0.000 1.119 192 N CA 1.586 54.671 53.050 0.059 0.000 0.717 192 N CB -0.909 37.705 38.487 0.210 0.000 1.071 192 N HN 0.871 nan 8.380 nan 0.000 0.555 193 Q N -2.877 116.887 119.800 -0.059 0.000 2.457 193 Q HA -0.346 4.282 4.340 0.479 0.000 0.283 193 Q C 0.420 176.310 176.000 -0.182 0.000 1.234 193 Q CA 1.555 57.299 55.803 -0.098 0.000 0.877 193 Q CB -1.250 27.440 28.738 -0.080 0.000 1.250 193 Q HN 0.793 nan 8.270 nan 0.000 0.481 194 Q N -1.616 118.014 119.800 -0.283 0.000 2.427 194 Q HA 0.214 4.842 4.340 0.479 0.000 0.249 194 Q C -0.514 175.095 176.000 -0.651 0.000 0.783 194 Q CA 0.202 55.657 55.803 -0.580 0.000 0.978 194 Q CB 0.931 29.076 28.738 -0.989 0.000 1.273 194 Q HN 0.224 nan 8.270 nan 0.000 0.524 195 F N 1.092 120.968 119.950 -0.123 0.000 2.495 195 F HA 0.423 5.239 4.527 0.480 0.000 0.327 195 F C -0.474 175.296 175.800 -0.050 0.000 1.103 195 F CA -1.309 56.632 58.000 -0.098 0.000 0.949 195 F CB 1.305 40.207 39.000 -0.163 0.000 1.142 195 F HN -0.094 nan 8.300 nan 0.000 0.457 196 L N 3.914 125.249 121.223 0.186 0.000 2.264 196 L HA 0.574 5.202 4.340 0.479 0.000 0.289 196 L C -1.020 175.896 176.870 0.077 0.000 1.044 196 L CA -0.443 54.469 54.840 0.119 0.000 0.807 196 L CB 0.308 42.460 42.059 0.154 0.000 1.192 196 L HN 0.712 nan 8.230 nan 0.000 0.425 197 C N 5.791 125.116 119.300 0.042 0.000 2.281 197 C HA 0.842 5.590 4.460 0.479 0.000 0.325 197 C C 0.014 175.006 174.990 0.003 0.000 1.282 197 C CA -0.751 58.274 59.018 0.012 0.000 1.640 197 C CB 0.258 28.001 27.740 0.005 0.000 2.288 197 C HN 0.770 nan 8.230 nan 0.000 0.507 198 V N 0.529 120.437 119.914 -0.009 0.000 3.188 198 V HA 0.500 4.908 4.120 0.479 0.000 0.305 198 V C 0.512 176.604 176.094 -0.003 0.000 1.232 198 V CA -0.530 61.765 62.300 -0.007 0.000 1.043 198 V CB 1.369 33.171 31.823 -0.035 0.000 1.068 198 V HN 0.803 nan 8.190 nan 0.000 0.439 199 H N 2.414 121.422 119.070 -0.103 0.000 2.276 199 H HA 0.189 5.020 4.556 0.458 0.000 0.301 199 H C 1.726 176.964 175.328 -0.151 0.000 1.073 199 H CA 2.998 58.961 56.048 -0.142 0.000 1.311 199 H CB -0.165 29.460 29.762 -0.229 0.000 1.379 199 H HN 0.946 nan 8.280 nan 0.000 0.494 200 G N -1.728 106.933 108.800 -0.233 0.000 2.610 200 G HA2 0.419 4.667 3.960 0.479 0.000 0.215 200 G HA3 0.419 4.667 3.960 0.479 0.000 0.215 200 G C 0.566 175.485 174.900 0.033 0.000 1.243 200 G CA 0.534 45.471 45.100 -0.272 0.000 0.847 200 G HN 0.831 nan 8.290 nan 0.000 0.560 201 G N -1.252 107.576 108.800 0.046 0.000 2.512 201 G HA2 0.330 4.578 3.960 0.479 0.000 0.181 201 G HA3 0.330 4.578 3.960 0.479 0.000 0.181 201 G C -1.072 173.723 174.900 -0.176 0.000 1.173 201 G CA -0.623 44.462 45.100 -0.024 0.000 0.988 201 G HN 0.358 nan 8.290 nan 0.000 0.485 202 L N 0.466 121.434 121.223 -0.425 0.000 2.468 202 L HA 0.700 5.328 4.340 0.479 0.000 0.254 202 L C 0.584 177.439 176.870 -0.025 0.000 1.171 202 L CA -0.509 54.137 54.840 -0.324 0.000 0.809 202 L CB 1.496 43.279 42.059 -0.461 0.000 1.155 202 L HN 0.576 nan 8.230 nan 0.000 0.473 203 S N -0.213 115.372 115.700 -0.192 0.000 2.541 203 S HA 0.459 5.217 4.470 0.479 0.000 0.280 203 S C -2.097 172.013 174.600 -0.817 0.000 1.112 203 S CA -1.344 56.624 58.200 -0.387 0.000 0.925 203 S CB 1.958 65.048 63.200 -0.183 0.000 1.067 203 S HN 0.380 nan 8.310 nan 0.000 0.479 204 P HA -0.025 nan 4.420 nan 0.000 0.225 204 P C 0.407 177.435 177.300 -0.453 0.000 1.148 204 P CA 0.963 63.332 63.100 -1.217 0.000 0.779 204 P CB 0.124 31.100 31.700 -1.206 0.000 0.780 205 E N -0.601 119.406 120.200 -0.322 0.000 2.465 205 E HA 0.179 4.816 4.350 0.479 0.000 0.191 205 E C 0.400 176.957 176.600 -0.072 0.000 1.053 205 E CA -0.084 56.234 56.400 -0.137 0.000 0.869 205 E CB 0.054 29.706 29.700 -0.080 0.000 0.977 205 E HN 0.336 nan 8.360 nan 0.000 0.483 206 I N 1.345 121.870 120.570 -0.075 0.000 2.495 206 I HA 0.150 4.607 4.170 0.479 0.000 0.277 206 I C -0.106 176.126 176.117 0.192 0.000 1.045 206 I CA -0.350 60.971 61.300 0.035 0.000 1.135 206 I CB 1.283 39.277 38.000 -0.010 0.000 1.241 206 I HN -0.075 nan 8.210 nan 0.000 0.469 207 N N 2.253 121.075 118.700 0.203 0.000 2.388 207 N HA 0.031 5.058 4.740 0.479 0.000 0.176 207 N C 0.387 176.063 175.510 0.277 0.000 1.062 207 N CA 0.344 53.545 53.050 0.251 0.000 0.895 207 N CB 0.546 39.080 38.487 0.078 0.000 1.018 207 N HN 0.659 nan 8.380 nan 0.000 0.456 208 T N -3.551 111.145 114.554 0.236 0.000 2.865 208 T HA 0.400 5.037 4.350 0.479 0.000 0.294 208 T C 0.668 175.460 174.700 0.153 0.000 1.119 208 T CA -0.792 61.376 62.100 0.113 0.000 1.007 208 T CB 0.863 69.766 68.868 0.059 0.000 1.225 208 T HN -0.165 nan 8.240 nan 0.000 0.515 209 L N 0.032 121.301 121.223 0.076 0.000 2.201 209 L HA 0.049 4.677 4.340 0.479 0.000 0.212 209 L C 2.219 179.124 176.870 0.057 0.000 1.105 209 L CA 1.404 56.298 54.840 0.090 0.000 0.775 209 L CB -0.549 41.533 42.059 0.037 0.000 0.913 209 L HN 0.802 nan 8.230 nan 0.000 0.440 210 D N 0.025 120.448 120.400 0.038 0.000 2.219 210 D HA -0.182 4.746 4.640 0.479 0.000 0.205 210 D C 1.701 178.023 176.300 0.038 0.000 0.970 210 D CA 0.775 54.792 54.000 0.029 0.000 0.851 210 D CB 0.194 41.004 40.800 0.017 0.000 0.943 210 D HN 0.207 nan 8.370 nan 0.000 0.488 211 D N -0.110 120.323 120.400 0.054 0.000 2.144 211 D HA -0.124 4.804 4.640 0.479 0.000 0.199 211 D C 2.115 178.437 176.300 0.036 0.000 0.984 211 D CA 0.644 54.672 54.000 0.047 0.000 0.834 211 D CB -0.068 40.769 40.800 0.061 0.000 0.955 211 D HN 0.404 nan 8.370 nan 0.000 0.465 212 I N 0.936 121.532 120.570 0.043 0.000 2.394 212 I HA -0.193 4.264 4.170 0.479 0.000 0.251 212 I C 2.391 178.520 176.117 0.020 0.000 1.136 212 I CA 0.812 62.128 61.300 0.027 0.000 1.425 212 I CB -0.091 37.928 38.000 0.032 0.000 1.079 212 I HN -0.096 nan 8.210 nan 0.000 0.425 213 R N 1.072 121.587 120.500 0.025 0.000 2.148 213 R HA -0.092 4.536 4.340 0.479 0.000 0.223 213 R C 2.010 178.328 176.300 0.029 0.000 1.088 213 R CA 0.874 56.989 56.100 0.025 0.000 0.985 213 R CB -0.286 30.028 30.300 0.024 0.000 0.880 213 R HN 0.389 nan 8.270 nan 0.000 0.451 214 K N 0.702 121.118 120.400 0.027 0.000 2.288 214 K HA 0.049 4.657 4.320 0.479 0.000 0.201 214 K C 0.717 177.333 176.600 0.028 0.000 1.048 214 K CA 0.368 56.672 56.287 0.027 0.000 0.956 214 K CB -0.027 32.486 32.500 0.023 0.000 0.746 214 K HN 0.088 nan 8.250 nan 0.000 0.461 215 L N 1.828 123.063 121.223 0.020 0.000 2.467 215 L HA 0.006 4.634 4.340 0.479 0.000 0.270 215 L C 0.176 177.064 176.870 0.029 0.000 1.205 215 L CA -0.288 54.560 54.840 0.014 0.000 0.828 215 L CB 0.136 42.193 42.059 -0.003 0.000 1.101 215 L HN 0.053 nan 8.230 nan 0.000 0.479 216 D N 0.980 121.401 120.400 0.036 0.000 2.427 216 D HA 0.174 5.101 4.640 0.479 0.000 0.226 216 D C 0.828 177.146 176.300 0.029 0.000 1.076 216 D CA -0.654 53.396 54.000 0.084 0.000 0.849 216 D CB 0.877 41.737 40.800 0.099 0.000 1.052 216 D HN 0.475 nan 8.370 nan 0.000 0.515 217 R N 2.650 123.101 120.500 -0.082 0.000 2.280 217 R HA 0.124 4.751 4.340 0.479 0.000 0.195 217 R C 0.041 176.175 176.300 -0.276 0.000 0.935 217 R CA 0.024 55.984 56.100 -0.233 0.000 1.033 217 R CB -0.220 29.855 30.300 -0.375 0.000 0.964 217 R HN 0.210 nan 8.270 nan 0.000 0.489 218 F N 3.926 123.904 119.950 0.046 0.000 2.678 218 F HA 0.243 5.060 4.527 0.483 0.000 0.358 218 F C 0.111 175.941 175.800 0.049 0.000 1.256 218 F CA 0.069 58.101 58.000 0.052 0.000 1.278 218 F CB -0.132 38.894 39.000 0.043 0.000 1.681 218 F HN 0.122 nan 8.300 nan 0.000 0.661 219 K N -1.148 119.334 120.400 0.136 0.000 2.735 219 K HA 0.357 4.965 4.320 0.479 0.000 0.295 219 K C -1.337 175.320 176.600 0.094 0.000 1.052 219 K CA -1.288 55.068 56.287 0.114 0.000 0.853 219 K CB 0.788 33.342 32.500 0.090 0.000 1.535 219 K HN -0.051 nan 8.250 nan 0.000 0.383 220 E N 1.535 121.792 120.200 0.095 0.000 2.414 220 E HA 0.186 4.824 4.350 0.479 0.000 0.263 220 E C -2.325 174.325 176.600 0.084 0.000 1.000 220 E CA -1.317 55.147 56.400 0.107 0.000 0.914 220 E CB 0.550 30.313 29.700 0.105 0.000 0.948 220 E HN 0.291 nan 8.360 nan 0.000 0.444 221 P HA 0.136 nan 4.420 nan 0.000 0.267 221 P C -2.445 174.887 177.300 0.053 0.000 1.205 221 P CA -0.773 62.386 63.100 0.098 0.000 0.765 221 P CB 0.363 32.175 31.700 0.186 0.000 0.828 222 P HA 0.112 nan 4.420 nan 0.000 0.274 222 P C 0.317 177.580 177.300 -0.061 0.000 1.246 222 P CA -0.232 62.830 63.100 -0.063 0.000 0.795 222 P CB 0.514 32.113 31.700 -0.168 0.000 1.006 223 A N 0.550 123.348 122.820 -0.038 0.000 2.206 223 A HA 0.105 4.712 4.320 0.479 0.000 0.211 223 A C 0.103 177.726 177.584 0.064 0.000 1.158 223 A CA 1.113 53.116 52.037 -0.055 0.000 0.761 223 A CB -1.076 17.896 19.000 -0.047 0.000 0.801 223 A HN 0.635 nan 8.150 nan 0.000 0.473 224 Y N -4.906 115.333 120.300 -0.102 0.000 2.656 224 Y HA 0.580 5.414 4.550 0.474 0.000 0.334 224 Y C -0.071 175.828 175.900 -0.002 0.000 1.179 224 Y CA -1.390 56.675 58.100 -0.060 0.000 1.050 224 Y CB 0.266 38.691 38.460 -0.058 0.000 1.308 224 Y HN 1.105 nan 8.280 nan 0.000 0.456 225 G N 0.937 109.775 108.800 0.063 0.000 2.497 225 G HA2 0.022 4.270 3.960 0.479 0.000 0.686 225 G HA3 0.022 4.270 3.960 0.479 0.000 0.686 225 G C -2.721 172.192 174.900 0.021 0.000 1.288 225 G CA -0.516 44.566 45.100 -0.030 0.000 0.899 225 G HN 0.585 nan 8.290 nan 0.000 0.608 226 P HA -0.201 nan 4.420 nan 0.000 0.216 226 P C 2.198 179.508 177.300 0.015 0.000 1.157 226 P CA 2.370 65.469 63.100 -0.002 0.000 0.880 226 P CB 0.003 31.691 31.700 -0.019 0.000 0.791 227 M N -1.203 118.400 119.600 0.005 0.000 2.159 227 M HA -0.196 4.571 4.480 0.479 0.000 0.263 227 M C 2.220 178.568 176.300 0.080 0.000 1.063 227 M CA 1.831 57.144 55.300 0.021 0.000 1.110 227 M CB -0.785 31.816 32.600 0.001 0.000 1.374 227 M HN 0.048 nan 8.290 nan 0.000 0.411 228 C N 1.106 120.461 119.300 0.093 0.000 2.453 228 C HA -0.156 4.592 4.460 0.479 0.000 0.277 228 C C 2.141 177.294 174.990 0.270 0.000 1.262 228 C CA 1.579 60.710 59.018 0.189 0.000 1.718 228 C CB -1.171 26.613 27.740 0.072 0.000 2.031 228 C HN 0.597 nan 8.230 nan 0.000 0.480 229 D N 0.772 121.286 120.400 0.191 0.000 2.144 229 D HA -0.090 4.837 4.640 0.479 0.000 0.199 229 D C 2.043 178.443 176.300 0.167 0.000 0.984 229 D CA 1.435 55.569 54.000 0.223 0.000 0.834 229 D CB -0.468 40.445 40.800 0.189 0.000 0.955 229 D HN 0.572 nan 8.370 nan 0.000 0.465 230 I N 0.656 121.279 120.570 0.089 0.000 2.208 230 I HA -0.245 4.213 4.170 0.479 0.000 0.245 230 I C 2.305 178.430 176.117 0.013 0.000 1.097 230 I CA 0.911 62.228 61.300 0.028 0.000 1.363 230 I CB -0.102 37.901 38.000 0.004 0.000 1.051 230 I HN -0.026 nan 8.210 nan 0.000 0.413 231 L N -1.861 119.385 121.223 0.038 0.000 2.270 231 L HA -0.086 4.541 4.340 0.479 0.000 0.210 231 L C 1.720 178.395 176.870 -0.325 0.000 1.104 231 L CA 0.891 55.673 54.840 -0.096 0.000 0.804 231 L CB -0.254 41.762 42.059 -0.072 0.000 0.937 231 L HN 0.339 nan 8.230 nan 0.000 0.450 232 W N -0.706 120.533 121.300 -0.102 0.000 2.865 232 W HA 0.133 4.973 4.660 0.300 0.000 0.300 232 W C 1.552 178.127 176.519 0.094 0.000 1.096 232 W CA -0.168 57.145 57.345 -0.052 0.000 1.524 232 W CB 0.165 29.668 29.460 0.071 0.000 0.991 232 W HN -0.090 nan 8.180 nan 0.000 0.571 233 S N 1.253 117.141 115.700 0.313 0.000 2.573 233 S HA 0.220 4.978 4.470 0.479 0.000 0.277 233 S C -0.260 174.537 174.600 0.330 0.000 1.346 233 S CA -0.136 58.284 58.200 0.366 0.000 1.034 233 S CB 1.181 64.710 63.200 0.547 0.000 0.879 233 S HN -0.002 nan 8.310 nan 0.000 0.528 234 D N 1.475 121.907 120.400 0.055 0.000 2.547 234 D HA 0.529 5.457 4.640 0.479 0.000 0.231 234 D C -2.767 173.080 176.300 -0.755 0.000 1.099 234 D CA -1.414 52.498 54.000 -0.146 0.000 0.901 234 D CB 2.125 42.971 40.800 0.075 0.000 1.478 234 D HN 0.357 nan 8.370 nan 0.000 0.471 235 P HA 0.221 nan 4.420 nan 0.000 0.276 235 P C 0.178 177.388 177.300 -0.149 0.000 1.244 235 P CA -0.485 62.131 63.100 -0.807 0.000 0.801 235 P CB 1.251 32.423 31.700 -0.879 0.000 1.006 236 L N 1.308 122.554 121.223 0.038 0.000 2.499 236 L HA -0.050 4.577 4.340 0.479 0.000 0.281 236 L C 2.368 179.187 176.870 -0.084 0.000 1.234 236 L CA 0.385 55.163 54.840 -0.103 0.000 0.839 236 L CB -0.108 41.934 42.059 -0.028 0.000 1.104 236 L HN 0.581 nan 8.230 nan 0.000 0.500 237 E N 1.005 121.045 120.200 -0.267 0.000 2.085 237 E HA -0.224 4.414 4.350 0.479 0.000 0.194 237 E C 0.336 176.921 176.600 -0.024 0.000 0.994 237 E CA 1.523 57.843 56.400 -0.133 0.000 0.801 237 E CB 0.226 29.811 29.700 -0.191 0.000 0.743 237 E HN 0.642 nan 8.360 nan 0.000 0.453 238 D N 0.214 120.593 120.400 -0.035 0.000 2.460 238 D HA 0.007 4.935 4.640 0.479 0.000 0.229 238 D C -0.299 176.039 176.300 0.064 0.000 1.170 238 D CA -0.197 53.805 54.000 0.003 0.000 0.827 238 D CB -0.513 40.263 40.800 -0.040 0.000 0.973 238 D HN 0.103 nan 8.370 nan 0.000 0.496 239 F N 1.324 121.263 119.950 -0.019 0.000 2.623 239 F HA 0.114 4.931 4.527 0.483 0.000 0.386 239 F C 1.689 177.500 175.800 0.018 0.000 1.068 239 F CA 1.630 59.649 58.000 0.032 0.000 1.265 239 F CB 0.525 39.575 39.000 0.083 0.000 1.026 239 F HN 0.304 nan 8.300 nan 0.000 0.568 240 G N 4.020 112.514 108.800 -0.510 0.000 2.320 240 G HA2 -0.364 3.884 3.960 0.479 0.000 0.242 240 G HA3 -0.364 3.884 3.960 0.479 0.000 0.242 240 G C 0.309 174.993 174.900 -0.359 0.000 1.033 240 G CA 0.402 45.150 45.100 -0.587 0.000 0.620 240 G HN 0.727 nan 8.290 nan 0.000 0.517 241 N N 1.754 120.348 118.700 -0.177 0.000 2.598 241 N HA 0.474 5.502 4.740 0.479 0.000 0.309 241 N C -0.888 174.573 175.510 -0.082 0.000 1.645 241 N CA -0.086 52.894 53.050 -0.118 0.000 0.936 241 N CB 0.909 39.347 38.487 -0.081 0.000 1.323 241 N HN 0.609 nan 8.380 nan 0.000 0.497 242 E N -0.026 120.121 120.200 -0.088 0.000 2.216 242 E HA 0.321 4.959 4.350 0.479 0.000 0.279 242 E C 0.139 176.717 176.600 -0.035 0.000 0.997 242 E CA -0.481 55.884 56.400 -0.057 0.000 0.817 242 E CB 1.602 31.267 29.700 -0.059 0.000 1.096 242 E HN 0.099 nan 8.360 nan 0.000 0.393 243 K N 0.623 121.007 120.400 -0.026 0.000 2.399 243 K HA 0.067 4.674 4.320 0.479 0.000 0.204 243 K C 0.129 176.727 176.600 -0.004 0.000 1.023 243 K CA -0.029 56.250 56.287 -0.014 0.000 1.127 243 K CB 0.701 33.191 32.500 -0.015 0.000 0.856 243 K HN 0.482 nan 8.250 nan 0.000 0.514 244 T N -0.087 114.464 114.554 -0.004 0.000 2.733 244 T HA 0.104 4.742 4.350 0.479 0.000 0.294 244 T C 0.869 175.586 174.700 0.029 0.000 0.956 244 T CA -0.674 61.433 62.100 0.011 0.000 0.987 244 T CB 1.187 70.059 68.868 0.007 0.000 0.920 244 T HN -0.057 nan 8.240 nan 0.000 0.470 245 Q N 2.370 122.190 119.800 0.034 0.000 2.378 245 Q HA 0.081 4.708 4.340 0.479 0.000 0.205 245 Q C 0.116 176.155 176.000 0.065 0.000 0.954 245 Q CA 0.683 56.513 55.803 0.045 0.000 0.901 245 Q CB -0.034 28.717 28.738 0.021 0.000 0.981 245 Q HN 0.758 nan 8.270 nan 0.000 0.483 246 E N 0.419 120.660 120.200 0.067 0.000 2.324 246 E HA 0.045 4.683 4.350 0.479 0.000 0.271 246 E C 0.557 177.239 176.600 0.138 0.000 1.028 246 E CA 0.125 56.575 56.400 0.083 0.000 0.890 246 E CB 0.423 30.180 29.700 0.096 0.000 1.004 246 E HN 0.232 nan 8.360 nan 0.000 0.431 247 H N 1.951 120.994 119.070 -0.045 0.000 2.389 247 H HA -0.017 4.826 4.556 0.479 0.000 0.299 247 H C -0.137 174.914 175.328 -0.461 0.000 1.081 247 H CA 0.519 56.430 56.048 -0.227 0.000 1.345 247 H CB 0.262 29.911 29.762 -0.189 0.000 1.393 247 H HN 0.348 nan 8.280 nan 0.000 0.520 248 F N 0.808 120.838 119.950 0.132 0.000 2.536 248 F HA 0.236 5.048 4.527 0.474 0.000 0.322 248 F C -0.115 175.761 175.800 0.127 0.000 1.144 248 F CA -0.822 57.202 58.000 0.039 0.000 0.924 248 F CB 1.906 40.685 39.000 -0.368 0.000 1.181 248 F HN -0.175 nan 8.300 nan 0.000 0.438 249 T N -0.870 113.939 114.554 0.425 0.000 2.876 249 T HA 0.415 5.052 4.350 0.479 0.000 0.289 249 T C -0.635 174.286 174.700 0.370 0.000 1.014 249 T CA -0.931 61.378 62.100 0.349 0.000 0.986 249 T CB 1.174 70.222 68.868 0.300 0.000 1.021 249 T HN 0.412 nan 8.240 nan 0.000 0.458 250 H N 2.591 121.839 119.070 0.297 0.000 3.034 250 H HA 0.077 4.919 4.556 0.475 0.000 0.324 250 H C 0.489 175.801 175.328 -0.026 0.000 1.015 250 H CA 0.284 56.329 56.048 -0.005 0.000 1.429 250 H CB 0.477 30.192 29.762 -0.080 0.000 1.429 250 H HN 0.564 nan 8.280 nan 0.000 0.585 251 N N 2.680 121.281 118.700 -0.165 0.000 2.508 251 N HA -0.053 4.975 4.740 0.479 0.000 0.253 251 N C 0.924 176.320 175.510 -0.189 0.000 1.145 251 N CA 0.023 52.757 53.050 -0.527 0.000 0.973 251 N CB 0.405 38.519 38.487 -0.621 0.000 1.305 251 N HN 0.640 nan 8.380 nan 0.000 0.506 252 T N -0.995 113.576 114.554 0.028 0.000 2.995 252 T HA -0.057 4.581 4.350 0.479 0.000 0.269 252 T C 1.867 176.607 174.700 0.065 0.000 1.091 252 T CA 0.590 62.729 62.100 0.065 0.000 1.128 252 T CB 0.021 68.969 68.868 0.134 0.000 0.891 252 T HN 0.119 nan 8.240 nan 0.000 0.492 253 V N 1.564 121.536 119.914 0.097 0.000 2.323 253 V HA -0.037 4.371 4.120 0.479 0.000 0.244 253 V C 2.937 179.081 176.094 0.083 0.000 1.041 253 V CA 1.302 63.675 62.300 0.121 0.000 1.025 253 V CB -0.436 31.515 31.823 0.212 0.000 0.656 253 V HN 0.376 nan 8.190 nan 0.000 0.451 254 R N 0.008 120.531 120.500 0.038 0.000 2.161 254 R HA 0.140 4.767 4.340 0.479 0.000 0.213 254 R C 1.869 178.156 176.300 -0.023 0.000 1.055 254 R CA 0.935 57.109 56.100 0.124 0.000 0.996 254 R CB -0.618 29.831 30.300 0.249 0.000 0.901 254 R HN 0.623 nan 8.270 nan 0.000 0.456 255 G N 0.930 109.678 108.800 -0.087 0.000 2.157 255 G HA2 -0.297 3.951 3.960 0.479 0.000 0.248 255 G HA3 -0.297 3.951 3.960 0.479 0.000 0.248 255 G C 0.284 175.042 174.900 -0.237 0.000 0.979 255 G CA 0.213 45.228 45.100 -0.141 0.000 0.650 255 G HN 0.587 nan 8.290 nan 0.000 0.529 256 C N -3.155 115.986 119.300 -0.264 0.000 3.275 256 C HA 0.934 5.682 4.460 0.479 0.000 0.340 256 C C 0.681 175.527 174.990 -0.240 0.000 1.366 256 C CA 0.226 59.058 59.018 -0.310 0.000 1.227 256 C CB 1.207 28.657 27.740 -0.482 0.000 1.512 256 C HN 2.397 nan 8.230 nan 0.000 0.461 257 S N -0.454 115.103 115.700 -0.238 0.000 3.387 257 S HA -0.098 4.659 4.470 0.479 0.000 0.633 257 S C -0.710 173.654 174.600 -0.394 0.000 2.641 257 S CA 1.219 59.301 58.200 -0.197 0.000 2.931 257 S CB -1.339 61.928 63.200 0.110 0.000 0.327 257 S HN 1.861 nan 8.310 nan 0.000 1.716 258 Y N -1.044 119.311 120.300 0.091 0.000 2.698 258 Y HA 0.775 5.616 4.550 0.484 0.000 0.332 258 Y C -0.291 175.586 175.900 -0.039 0.000 1.119 258 Y CA -0.784 57.357 58.100 0.068 0.000 1.109 258 Y CB 0.583 39.212 38.460 0.281 0.000 1.308 258 Y HN 0.505 nan 8.280 nan 0.000 0.499 259 F N 1.458 121.611 119.950 0.339 0.000 2.426 259 F HA 0.400 5.219 4.527 0.487 0.000 0.348 259 F C -0.822 175.029 175.800 0.085 0.000 1.124 259 F CA -1.473 56.575 58.000 0.081 0.000 1.008 259 F CB 0.617 39.653 39.000 0.061 0.000 1.139 259 F HN 0.276 nan 8.300 nan 0.000 0.452 260 Y N 0.224 120.685 120.300 0.268 0.000 2.387 260 Y HA 0.744 5.583 4.550 0.480 0.000 0.336 260 Y C 0.078 176.017 175.900 0.064 0.000 1.067 260 Y CA -1.713 56.342 58.100 -0.077 0.000 1.114 260 Y CB 0.566 38.917 38.460 -0.181 0.000 1.208 260 Y HN 0.510 nan 8.280 nan 0.000 0.458 261 S N 1.730 117.458 115.700 0.048 0.000 2.707 261 S HA 0.146 4.903 4.470 0.479 0.000 0.276 261 S C 0.628 175.143 174.600 -0.142 0.000 1.179 261 S CA -0.423 57.770 58.200 -0.013 0.000 0.992 261 S CB 0.543 63.674 63.200 -0.116 0.000 1.030 261 S HN 0.849 nan 8.310 nan 0.000 0.554 262 Y N 2.051 121.859 120.300 -0.819 0.000 2.181 262 Y HA 0.114 4.951 4.550 0.477 0.000 0.288 262 Y C -1.348 174.308 175.900 -0.406 0.000 1.146 262 Y CA 1.305 58.793 58.100 -1.021 0.000 1.164 262 Y CB -1.755 36.087 38.460 -1.030 0.000 0.982 262 Y HN 0.497 nan 8.280 nan 0.000 0.515 263 P HA -0.170 nan 4.420 nan 0.000 0.216 263 P C 1.586 178.489 177.300 -0.662 0.000 1.153 263 P CA 2.576 65.365 63.100 -0.518 0.000 0.848 263 P CB -0.323 31.200 31.700 -0.296 0.000 0.787 264 A N -0.557 121.745 122.820 -0.863 0.000 1.883 264 A HA -0.195 4.412 4.320 0.479 0.000 0.217 264 A C 2.336 179.753 177.584 -0.279 0.000 1.186 264 A CA 2.105 53.698 52.037 -0.740 0.000 0.624 264 A CB -1.787 16.734 19.000 -0.799 0.000 0.822 264 A HN 0.019 nan 8.150 nan 0.000 0.444 265 V N -0.839 118.963 119.914 -0.187 0.000 2.261 265 V HA -0.333 4.075 4.120 0.479 0.000 0.246 265 V C 2.695 178.779 176.094 -0.017 0.000 1.047 265 V CA 2.089 64.371 62.300 -0.032 0.000 1.015 265 V CB -1.210 30.700 31.823 0.146 0.000 0.642 265 V HN 0.717 nan 8.190 nan 0.000 0.446 266 C N -0.201 118.978 119.300 -0.201 0.000 2.413 266 C HA -0.199 4.549 4.460 0.479 0.000 0.276 266 C C 2.804 177.740 174.990 -0.090 0.000 1.248 266 C CA 1.543 60.438 59.018 -0.205 0.000 1.742 266 C CB -0.961 26.503 27.740 -0.462 0.000 2.017 266 C HN 0.720 nan 8.230 nan 0.000 0.481 267 E N -0.370 119.774 120.200 -0.093 0.000 2.110 267 E HA -0.250 4.388 4.350 0.479 0.000 0.193 267 E C 1.907 178.550 176.600 0.071 0.000 0.988 267 E CA 1.254 57.651 56.400 -0.005 0.000 0.804 267 E CB -0.281 29.433 29.700 0.024 0.000 0.745 267 E HN 0.688 nan 8.360 nan 0.000 0.458 268 F N 0.908 120.843 119.950 -0.024 0.000 2.206 268 F HA -0.041 4.777 4.527 0.485 0.000 0.298 268 F C 1.806 177.628 175.800 0.036 0.000 1.090 268 F CA 0.923 58.941 58.000 0.030 0.000 1.323 268 F CB 0.016 39.022 39.000 0.010 0.000 1.028 268 F HN -0.011 nan 8.300 nan 0.000 0.492 269 L N 0.371 121.667 121.223 0.121 0.000 2.005 269 L HA -0.240 4.388 4.340 0.479 0.000 0.207 269 L C 2.765 179.588 176.870 -0.077 0.000 1.072 269 L CA 1.901 56.759 54.840 0.031 0.000 0.744 269 L CB -1.100 41.012 42.059 0.088 0.000 0.895 269 L HN 0.303 nan 8.230 nan 0.000 0.433 270 Q N -0.449 119.326 119.800 -0.042 0.000 2.084 270 Q HA -0.312 4.316 4.340 0.479 0.000 0.202 270 Q C 2.089 178.046 176.000 -0.071 0.000 0.978 270 Q CA 2.130 57.904 55.803 -0.048 0.000 0.844 270 Q CB -0.669 28.057 28.738 -0.019 0.000 0.898 270 Q HN 0.504 nan 8.270 nan 0.000 0.426 271 H N 0.832 119.802 119.070 -0.167 0.000 2.456 271 H HA 0.006 4.849 4.556 0.479 0.000 0.296 271 H C 0.857 176.036 175.328 -0.248 0.000 1.079 271 H CA 1.763 57.699 56.048 -0.186 0.000 1.322 271 H CB 0.172 29.824 29.762 -0.184 0.000 1.388 271 H HN 0.363 nan 8.280 nan 0.000 0.538 272 N N 0.313 118.774 118.700 -0.398 0.000 2.203 272 N HA -0.014 5.014 4.740 0.479 0.000 0.207 272 N C -0.594 174.751 175.510 -0.276 0.000 1.130 272 N CA 0.160 52.955 53.050 -0.425 0.000 0.861 272 N CB 0.374 38.524 38.487 -0.561 0.000 1.005 272 N HN 0.316 nan 8.380 nan 0.000 0.507 273 N N 1.154 119.723 118.700 -0.219 0.000 2.714 273 N HA -0.183 4.844 4.740 0.479 0.000 0.253 273 N C -0.824 174.592 175.510 -0.157 0.000 1.024 273 N CA 0.783 53.736 53.050 -0.161 0.000 0.726 273 N CB -1.312 37.083 38.487 -0.152 0.000 0.908 273 N HN 0.398 nan 8.380 nan 0.000 0.542 274 L N -0.195 120.943 121.223 -0.143 0.000 2.319 274 L HA 0.393 5.021 4.340 0.479 0.000 0.267 274 L C 1.445 178.240 176.870 -0.124 0.000 1.011 274 L CA -0.861 53.897 54.840 -0.136 0.000 0.818 274 L CB 1.402 43.422 42.059 -0.065 0.000 1.316 274 L HN -0.001 nan 8.230 nan 0.000 0.432 275 L N 0.244 121.333 121.223 -0.224 0.000 2.253 275 L HA 0.288 4.916 4.340 0.479 0.000 0.205 275 L C 0.535 177.441 176.870 0.061 0.000 1.078 275 L CA 1.020 55.738 54.840 -0.203 0.000 0.805 275 L CB 0.522 42.250 42.059 -0.553 0.000 0.963 275 L HN 0.639 nan 8.230 nan 0.000 0.459 276 S N -1.690 114.115 115.700 0.174 0.000 2.611 276 S HA 0.465 5.223 4.470 0.479 0.000 0.270 276 S C -1.626 173.185 174.600 0.351 0.000 1.131 276 S CA -0.859 57.573 58.200 0.386 0.000 0.826 276 S CB 0.513 64.104 63.200 0.653 0.000 1.095 276 S HN -0.067 nan 8.310 nan 0.000 0.461 277 I N 3.374 124.079 120.570 0.227 0.000 2.321 277 I HA 0.414 4.872 4.170 0.479 0.000 0.291 277 I C -0.536 175.617 176.117 0.061 0.000 0.998 277 I CA -0.486 60.880 61.300 0.111 0.000 1.227 277 I CB 0.946 38.941 38.000 -0.009 0.000 1.368 277 I HN 0.562 nan 8.210 nan 0.000 0.466 278 L N 7.649 128.882 121.223 0.018 0.000 2.287 278 L HA 0.554 5.181 4.340 0.479 0.000 0.287 278 L C -0.062 176.785 176.870 -0.037 0.000 1.022 278 L CA -0.732 54.080 54.840 -0.047 0.000 0.814 278 L CB 1.122 43.093 42.059 -0.147 0.000 1.217 278 L HN 0.672 nan 8.230 nan 0.000 0.420 279 R N 2.731 123.213 120.500 -0.030 0.000 2.846 279 R HA 0.967 5.594 4.340 0.479 0.000 0.263 279 R C -0.820 175.457 176.300 -0.039 0.000 1.080 279 R CA -0.454 55.620 56.100 -0.044 0.000 0.961 279 R CB 1.290 31.562 30.300 -0.046 0.000 1.231 279 R HN 0.426 nan 8.270 nan 0.000 0.465 280 A N -1.085 121.672 122.820 -0.106 0.000 3.191 280 A HA 0.508 5.116 4.320 0.479 0.000 0.191 280 A C 0.151 177.660 177.584 -0.124 0.000 1.221 280 A CA 0.733 52.724 52.037 -0.075 0.000 1.399 280 A CB -0.696 18.258 19.000 -0.077 0.000 1.688 280 A HN 1.066 nan 8.150 nan 0.000 0.593 281 H N -0.691 118.102 119.070 -0.462 0.000 4.581 281 H HA -0.148 4.693 4.556 0.474 0.000 0.115 281 H C -0.276 174.973 175.328 -0.130 0.000 0.667 281 H CA 1.945 57.737 56.048 -0.427 0.000 1.233 281 H CB -0.941 28.494 29.762 -0.546 0.000 0.683 281 H HN 0.617 nan 8.280 nan 0.000 0.567 282 E N -0.019 120.096 120.200 -0.142 0.000 2.241 282 E HA 0.658 5.296 4.350 0.479 0.000 0.263 282 E C -0.388 175.862 176.600 -0.584 0.000 0.882 282 E CA -0.210 56.014 56.400 -0.293 0.000 0.769 282 E CB 1.788 31.378 29.700 -0.183 0.000 1.185 282 E HN 0.473 nan 8.360 nan 0.000 0.415 283 A N 3.676 125.850 122.820 -1.077 0.000 2.540 283 A HA 0.083 4.691 4.320 0.479 0.000 0.239 283 A C -0.174 176.907 177.584 -0.838 0.000 1.061 283 A CA 0.151 51.023 52.037 -1.941 0.000 0.758 283 A CB 0.324 18.409 19.000 -1.526 0.000 0.991 283 A HN 0.440 nan 8.150 nan 0.000 0.502 284 Q N 1.298 120.708 119.800 -0.651 0.000 2.337 284 Q HA 0.164 4.792 4.340 0.479 0.000 0.270 284 Q C 0.038 175.968 176.000 -0.118 0.000 1.043 284 Q CA -0.495 55.153 55.803 -0.258 0.000 0.794 284 Q CB 1.813 30.444 28.738 -0.179 0.000 1.281 284 Q HN 0.938 nan 8.270 nan 0.000 0.446 285 D N 2.628 122.980 120.400 -0.081 0.000 2.149 285 D HA -0.151 4.777 4.640 0.479 0.000 0.198 285 D C 1.096 177.386 176.300 -0.015 0.000 0.990 285 D CA 1.790 55.780 54.000 -0.016 0.000 0.839 285 D CB 0.495 41.277 40.800 -0.030 0.000 0.948 285 D HN 0.634 nan 8.370 nan 0.000 0.460 286 A N -1.454 121.324 122.820 -0.069 0.000 2.275 286 A HA 0.515 5.123 4.320 0.479 0.000 0.212 286 A C 1.839 179.480 177.584 0.095 0.000 1.201 286 A CA 0.848 52.868 52.037 -0.028 0.000 0.843 286 A CB -0.289 18.616 19.000 -0.159 0.000 0.873 286 A HN 0.442 nan 8.150 nan 0.000 0.492 287 G N -1.880 106.967 108.800 0.078 0.000 2.199 287 G HA2 -0.259 3.988 3.960 0.479 0.000 0.254 287 G HA3 -0.259 3.988 3.960 0.479 0.000 0.254 287 G C 0.080 175.143 174.900 0.271 0.000 0.982 287 G CA 0.879 46.075 45.100 0.159 0.000 0.632 287 G HN 1.941 nan 8.290 nan 0.000 0.529 288 Y N -2.258 118.033 120.300 -0.014 0.000 2.814 288 Y HA 0.812 5.650 4.550 0.479 0.000 0.348 288 Y C -0.910 174.949 175.900 -0.068 0.000 1.245 288 Y CA -1.477 56.610 58.100 -0.020 0.000 1.086 288 Y CB 0.550 38.997 38.460 -0.021 0.000 1.373 288 Y HN 0.458 nan 8.280 nan 0.000 0.451 289 R N 2.233 122.593 120.500 -0.233 0.000 2.604 289 R HA 0.693 5.321 4.340 0.479 0.000 0.270 289 R C -2.035 174.151 176.300 -0.190 0.000 1.052 289 R CA -0.842 55.000 56.100 -0.431 0.000 0.902 289 R CB 1.790 31.784 30.300 -0.510 0.000 1.233 289 R HN 0.923 nan 8.270 nan 0.000 0.455 290 M N 4.680 124.130 119.600 -0.250 0.000 2.181 290 M HA 0.347 5.115 4.480 0.479 0.000 0.323 290 M C -1.271 174.935 176.300 -0.157 0.000 1.004 290 M CA -0.723 54.546 55.300 -0.053 0.000 0.941 290 M CB 1.496 34.094 32.600 -0.003 0.000 1.579 290 M HN 0.486 nan 8.290 nan 0.000 0.427 291 Y N 0.594 120.888 120.300 -0.009 0.000 2.344 291 Y HA 0.430 5.266 4.550 0.476 0.000 0.330 291 Y C 0.873 176.847 175.900 0.123 0.000 1.330 291 Y CA -0.711 57.429 58.100 0.067 0.000 1.479 291 Y CB 0.368 38.866 38.460 0.064 0.000 1.428 291 Y HN 0.548 nan 8.280 nan 0.000 0.544 292 R N 1.746 122.435 120.500 0.316 0.000 2.505 292 R HA -0.089 4.538 4.340 0.479 0.000 0.274 292 R C -0.634 175.787 176.300 0.201 0.000 0.955 292 R CA 0.185 56.333 56.100 0.080 0.000 1.109 292 R CB 0.194 30.307 30.300 -0.312 0.000 0.890 292 R HN 0.613 nan 8.270 nan 0.000 0.415 293 K N 2.281 122.751 120.400 0.117 0.000 2.382 293 K HA -0.011 4.597 4.320 0.479 0.000 0.275 293 K C 0.192 176.990 176.600 0.329 0.000 1.009 293 K CA 0.038 56.433 56.287 0.179 0.000 0.970 293 K CB 1.039 33.597 32.500 0.095 0.000 0.934 293 K HN 0.517 nan 8.250 nan 0.000 0.479 294 S N 1.904 117.806 115.700 0.336 0.000 2.562 294 S HA -0.029 4.729 4.470 0.479 0.000 0.281 294 S C 0.818 175.546 174.600 0.215 0.000 1.333 294 S CA -0.197 58.173 58.200 0.283 0.000 1.052 294 S CB 0.698 64.010 63.200 0.185 0.000 0.884 294 S HN 0.551 nan 8.310 nan 0.000 0.506 295 Q N 2.270 122.177 119.800 0.178 0.000 2.444 295 Q HA 0.014 4.642 4.340 0.479 0.000 0.206 295 Q C 1.282 177.331 176.000 0.081 0.000 0.948 295 Q CA 0.758 56.637 55.803 0.127 0.000 0.946 295 Q CB 0.078 28.886 28.738 0.117 0.000 1.027 295 Q HN 0.724 nan 8.270 nan 0.000 0.513 296 T N -0.698 113.899 114.554 0.070 0.000 3.040 296 T HA -0.046 4.592 4.350 0.479 0.000 0.252 296 T C 1.857 176.592 174.700 0.059 0.000 1.064 296 T CA 1.437 63.565 62.100 0.047 0.000 1.110 296 T CB 0.257 69.138 68.868 0.022 0.000 0.921 296 T HN 0.445 nan 8.240 nan 0.000 0.480 297 T N -2.026 112.586 114.554 0.097 0.000 2.975 297 T HA 0.426 5.063 4.350 0.479 0.000 0.261 297 T C 1.765 176.565 174.700 0.167 0.000 0.984 297 T CA 0.812 62.980 62.100 0.114 0.000 0.911 297 T CB 0.235 69.176 68.868 0.121 0.000 1.127 297 T HN 0.383 nan 8.240 nan 0.000 0.514 298 G N 1.227 110.129 108.800 0.170 0.000 2.166 298 G HA2 -0.241 4.007 3.960 0.479 0.000 0.260 298 G HA3 -0.241 4.007 3.960 0.479 0.000 0.260 298 G C -0.186 174.846 174.900 0.220 0.000 0.986 298 G CA 0.380 45.578 45.100 0.164 0.000 0.683 298 G HN 0.693 nan 8.290 nan 0.000 0.527 299 F N 0.757 120.774 119.950 0.111 0.000 2.492 299 F HA 0.663 5.477 4.527 0.478 0.000 0.327 299 F C -2.150 173.753 175.800 0.171 0.000 1.079 299 F CA -2.706 55.373 58.000 0.133 0.000 0.967 299 F CB 1.751 40.831 39.000 0.132 0.000 1.169 299 F HN -0.136 nan 8.300 nan 0.000 0.472 300 P HA -0.054 nan 4.420 nan 0.000 0.258 300 P C 0.188 177.649 177.300 0.269 0.000 1.172 300 P CA 0.675 63.733 63.100 -0.069 0.000 0.762 300 P CB 0.515 32.053 31.700 -0.271 0.000 0.764 301 S N 3.743 119.658 115.700 0.359 0.000 2.447 301 S HA -0.046 4.711 4.470 0.479 0.000 0.233 301 S C 0.528 175.319 174.600 0.318 0.000 1.006 301 S CA 0.620 59.051 58.200 0.385 0.000 0.957 301 S CB -0.364 63.123 63.200 0.479 0.000 0.773 301 S HN 0.370 nan 8.310 nan 0.000 0.507 302 L N 0.026 121.415 121.223 0.276 0.000 2.472 302 L HA 0.693 5.320 4.340 0.479 0.000 0.260 302 L C -1.839 175.163 176.870 0.220 0.000 0.963 302 L CA -0.797 54.094 54.840 0.085 0.000 0.829 302 L CB 2.092 43.921 42.059 -0.383 0.000 1.348 302 L HN 0.219 nan 8.230 nan 0.000 0.408 303 I N 2.778 123.439 120.570 0.150 0.000 2.534 303 I HA 0.390 4.848 4.170 0.479 0.000 0.288 303 I C -0.762 175.450 176.117 0.159 0.000 1.077 303 I CA -0.452 60.972 61.300 0.207 0.000 1.051 303 I CB 2.382 40.452 38.000 0.116 0.000 1.234 303 I HN 0.493 nan 8.210 nan 0.000 0.425 304 T N 6.438 121.139 114.554 0.245 0.000 2.771 304 T HA 0.536 5.174 4.350 0.479 0.000 0.281 304 T C -0.569 174.215 174.700 0.139 0.000 0.982 304 T CA -0.254 61.941 62.100 0.159 0.000 0.978 304 T CB 1.449 70.430 68.868 0.187 0.000 0.930 304 T HN 0.266 nan 8.240 nan 0.000 0.447 305 I N 3.795 124.423 120.570 0.097 0.000 2.378 305 I HA 0.635 5.093 4.170 0.479 0.000 0.291 305 I C -1.588 174.606 176.117 0.129 0.000 0.992 305 I CA -1.192 60.168 61.300 0.100 0.000 1.154 305 I CB 0.779 38.789 38.000 0.015 0.000 1.315 305 I HN 0.556 nan 8.210 nan 0.000 0.448 306 F N 6.001 125.919 119.950 -0.053 0.000 2.499 306 F HA 0.437 5.243 4.527 0.465 0.000 0.333 306 F C 0.274 175.999 175.800 -0.125 0.000 1.138 306 F CA -0.213 57.717 58.000 -0.117 0.000 0.945 306 F CB 1.865 40.770 39.000 -0.158 0.000 1.181 306 F HN 0.453 nan 8.300 nan 0.000 0.435 307 S N 4.061 119.437 115.700 -0.540 0.000 2.582 307 S HA 0.414 5.171 4.470 0.479 0.000 0.234 307 S C 0.302 174.655 174.600 -0.411 0.000 0.961 307 S CA 0.039 58.023 58.200 -0.360 0.000 0.953 307 S CB 0.161 63.285 63.200 -0.128 0.000 0.800 307 S HN 0.629 nan 8.310 nan 0.000 0.471 308 A N 3.900 126.284 122.820 -0.726 0.000 2.394 308 A HA 0.575 5.183 4.320 0.479 0.000 0.333 308 A C -2.695 174.811 177.584 -0.131 0.000 1.397 308 A CA -1.925 49.896 52.037 -0.360 0.000 0.884 308 A CB 0.393 19.172 19.000 -0.368 0.000 1.147 308 A HN 0.105 nan 8.150 nan 0.000 0.505 309 P HA 0.034 nan 4.420 nan 0.000 0.271 309 P C 0.043 177.419 177.300 0.125 0.000 1.216 309 P CA 0.150 63.228 63.100 -0.037 0.000 0.776 309 P CB 0.484 32.113 31.700 -0.120 0.000 0.881 310 N N 1.210 120.006 118.700 0.161 0.000 2.714 310 N HA -0.277 4.751 4.740 0.479 0.000 0.252 310 N C -0.784 174.881 175.510 0.258 0.000 1.014 310 N CA 0.385 53.564 53.050 0.216 0.000 0.735 310 N CB -2.092 36.506 38.487 0.185 0.000 0.924 310 N HN 0.402 nan 8.380 nan 0.000 0.540 311 Y N 1.400 121.746 120.300 0.076 0.000 2.895 311 Y HA 0.001 4.820 4.550 0.447 0.000 0.334 311 Y C 1.443 177.347 175.900 0.007 0.000 1.261 311 Y CA 1.206 59.277 58.100 -0.049 0.000 1.560 311 Y CB 0.084 38.374 38.460 -0.283 0.000 1.253 311 Y HN 0.315 nan 8.280 nan 0.000 0.582 312 L N 5.118 126.158 121.223 -0.305 0.000 4.179 312 L HA -0.441 4.187 4.340 0.479 0.000 0.418 312 L C 0.526 177.423 176.870 0.045 0.000 1.168 312 L CA 0.898 55.592 54.840 -0.245 0.000 0.972 312 L CB -1.366 40.459 42.059 -0.389 0.000 2.005 312 L HN 0.818 nan 8.230 nan 0.000 0.935 313 D N -2.002 118.485 120.400 0.145 0.000 3.059 313 D HA -0.220 4.707 4.640 0.479 0.000 0.213 313 D C 1.170 177.576 176.300 0.177 0.000 1.144 313 D CA 1.483 55.604 54.000 0.202 0.000 0.975 313 D CB -1.119 39.820 40.800 0.232 0.000 1.125 313 D HN 0.624 nan 8.370 nan 0.000 0.412 314 V N -4.282 115.758 119.914 0.211 0.000 3.473 314 V HA 0.117 4.525 4.120 0.479 0.000 0.253 314 V C 1.988 178.200 176.094 0.197 0.000 1.340 314 V CA 0.063 62.468 62.300 0.174 0.000 1.103 314 V CB -0.565 31.324 31.823 0.111 0.000 0.881 314 V HN 0.004 nan 8.190 nan 0.000 0.451 315 Y N 2.410 122.756 120.300 0.076 0.000 2.333 315 Y HA 0.053 4.886 4.550 0.471 0.000 0.290 315 Y C 1.638 177.581 175.900 0.072 0.000 1.144 315 Y CA 1.000 59.152 58.100 0.087 0.000 1.228 315 Y CB -1.094 37.460 38.460 0.156 0.000 0.985 315 Y HN 0.514 nan 8.280 nan 0.000 0.542 316 N N 0.261 119.102 118.700 0.235 0.000 2.714 316 N HA -0.216 4.811 4.740 0.479 0.000 0.250 316 N C -0.778 174.813 175.510 0.134 0.000 1.117 316 N CA 0.374 53.511 53.050 0.146 0.000 0.719 316 N CB -1.419 37.123 38.487 0.092 0.000 1.081 316 N HN 0.476 nan 8.380 nan 0.000 0.557 317 N N 1.101 119.909 118.700 0.180 0.000 2.493 317 N HA 0.230 5.257 4.740 0.479 0.000 0.275 317 N C -0.370 175.182 175.510 0.070 0.000 1.186 317 N CA -0.154 52.974 53.050 0.130 0.000 0.978 317 N CB 1.295 39.886 38.487 0.174 0.000 1.184 317 N HN 0.088 nan 8.380 nan 0.000 0.487 318 K N 0.055 120.471 120.400 0.028 0.000 2.098 318 K HA 0.534 5.142 4.320 0.479 0.000 0.257 318 K C -0.284 176.245 176.600 -0.119 0.000 0.999 318 K CA -0.722 55.537 56.287 -0.048 0.000 0.924 318 K CB 1.194 33.688 32.500 -0.012 0.000 1.028 318 K HN 0.740 nan 8.250 nan 0.000 0.466 319 A N 0.644 123.222 122.820 -0.404 0.000 2.313 319 A HA 0.873 5.481 4.320 0.479 0.000 0.323 319 A C -1.219 176.069 177.584 -0.493 0.000 1.133 319 A CA -0.529 51.172 52.037 -0.559 0.000 0.847 319 A CB 1.528 19.864 19.000 -1.107 0.000 1.308 319 A HN 0.706 nan 8.150 nan 0.000 0.475 320 A N -0.716 121.969 122.820 -0.227 0.000 2.612 320 A HA 0.717 5.325 4.320 0.479 0.000 0.293 320 A C -0.813 176.809 177.584 0.064 0.000 1.075 320 A CA 0.104 52.141 52.037 -0.000 0.000 0.680 320 A CB 0.927 19.943 19.000 0.027 0.000 1.279 320 A HN 2.244 nan 8.150 nan 0.000 0.411 321 V N -1.136 118.820 119.914 0.071 0.000 2.914 321 V HA 0.840 5.248 4.120 0.479 0.000 0.314 321 V C -0.578 175.474 176.094 -0.070 0.000 1.084 321 V CA -0.810 61.484 62.300 -0.009 0.000 0.963 321 V CB 1.718 33.536 31.823 -0.010 0.000 1.025 321 V HN 1.177 nan 8.190 nan 0.000 0.432 322 L N 2.776 123.938 121.223 -0.101 0.000 2.295 322 L HA 0.580 5.207 4.340 0.479 0.000 0.281 322 L C -0.081 176.737 176.870 -0.086 0.000 1.018 322 L CA -0.407 54.370 54.840 -0.104 0.000 0.841 322 L CB 0.782 42.768 42.059 -0.123 0.000 1.218 322 L HN 0.768 nan 8.230 nan 0.000 0.424 323 K N 4.870 125.231 120.400 -0.066 0.000 2.227 323 K HA 0.298 4.906 4.320 0.479 0.000 0.280 323 K C -1.456 175.167 176.600 0.038 0.000 1.041 323 K CA -0.388 55.865 56.287 -0.057 0.000 0.905 323 K CB 1.493 33.945 32.500 -0.080 0.000 1.068 323 K HN 0.404 nan 8.250 nan 0.000 0.470 324 Y N 2.135 122.381 120.300 -0.090 0.000 2.545 324 Y HA 0.246 5.085 4.550 0.481 0.000 0.348 324 Y C -1.292 174.597 175.900 -0.018 0.000 1.002 324 Y CA -0.754 57.320 58.100 -0.043 0.000 1.039 324 Y CB 1.809 40.245 38.460 -0.040 0.000 1.271 324 Y HN 0.709 nan 8.280 nan 0.000 0.467 325 E N 3.071 122.711 120.200 -0.934 0.000 2.375 325 E HA 0.228 4.865 4.350 0.479 0.000 0.280 325 E C -1.488 174.538 176.600 -0.956 0.000 0.972 325 E CA -1.209 54.798 56.400 -0.655 0.000 0.782 325 E CB 1.033 30.549 29.700 -0.306 0.000 1.229 325 E HN 0.556 nan 8.360 nan 0.000 0.439 326 N N 2.369 120.765 118.700 -0.507 0.000 1.801 326 N HA -0.190 4.837 4.740 0.479 0.000 0.315 326 N C -0.184 175.189 175.510 -0.228 0.000 1.326 326 N CA 1.574 54.464 53.050 -0.268 0.000 0.840 326 N CB -0.522 37.900 38.487 -0.107 0.000 1.126 326 N HN 0.811 nan 8.380 nan 0.000 0.499 327 N N -0.446 118.210 118.700 -0.072 0.000 2.815 327 N HA -0.227 4.801 4.740 0.479 0.000 0.247 327 N C -1.058 174.472 175.510 0.034 0.000 1.030 327 N CA 0.343 53.422 53.050 0.047 0.000 0.881 327 N CB -0.428 38.068 38.487 0.014 0.000 1.134 327 N HN 0.150 nan 8.380 nan 0.000 0.582 328 V N 1.552 121.387 119.914 -0.132 0.000 2.380 328 V HA 0.369 4.777 4.120 0.479 0.000 0.286 328 V C -0.147 175.937 176.094 -0.018 0.000 1.015 328 V CA -0.336 61.929 62.300 -0.059 0.000 0.834 328 V CB 1.563 33.321 31.823 -0.109 0.000 1.009 328 V HN 0.164 nan 8.190 nan 0.000 0.428 329 M N 5.483 125.194 119.600 0.185 0.000 2.101 329 M HA 0.471 5.239 4.480 0.479 0.000 0.340 329 M C -0.512 175.840 176.300 0.086 0.000 1.057 329 M CA -0.105 55.343 55.300 0.247 0.000 0.984 329 M CB 0.689 33.491 32.600 0.337 0.000 1.560 329 M HN 0.715 nan 8.290 nan 0.000 0.435 330 N N 6.385 125.101 118.700 0.028 0.000 2.476 330 N HA 0.276 5.304 4.740 0.479 0.000 0.257 330 N C -1.330 174.133 175.510 -0.079 0.000 0.970 330 N CA -0.606 52.427 53.050 -0.029 0.000 0.938 330 N CB 1.011 39.478 38.487 -0.034 0.000 1.144 330 N HN 0.632 nan 8.380 nan 0.000 0.500 331 I N 4.124 124.607 120.570 -0.146 0.000 2.308 331 I HA 0.237 4.694 4.170 0.479 0.000 0.293 331 I C 0.320 176.329 176.117 -0.179 0.000 1.078 331 I CA -0.268 60.875 61.300 -0.260 0.000 1.292 331 I CB 0.205 37.853 38.000 -0.586 0.000 1.423 331 I HN 0.359 nan 8.210 nan 0.000 0.493 332 R N 6.073 126.515 120.500 -0.097 0.000 2.255 332 R HA 0.475 5.102 4.340 0.479 0.000 0.326 332 R C -0.120 176.224 176.300 0.073 0.000 0.986 332 R CA -0.570 55.525 56.100 -0.009 0.000 0.847 332 R CB 1.656 31.963 30.300 0.013 0.000 1.111 332 R HN 0.591 nan 8.270 nan 0.000 0.452 333 Q N 2.004 121.861 119.800 0.095 0.000 2.204 333 Q HA 0.664 5.291 4.340 0.479 0.000 0.254 333 Q C -0.655 175.517 176.000 0.287 0.000 0.981 333 Q CA -0.716 55.164 55.803 0.129 0.000 0.897 333 Q CB 1.784 30.565 28.738 0.071 0.000 1.273 333 Q HN 0.504 nan 8.270 nan 0.000 0.464 334 F N -2.232 117.736 119.950 0.030 0.000 2.703 334 F HA 0.524 5.339 4.527 0.481 0.000 0.308 334 F C -1.330 174.501 175.800 0.051 0.000 1.126 334 F CA -1.289 56.730 58.000 0.033 0.000 0.959 334 F CB 0.967 39.978 39.000 0.019 0.000 1.297 334 F HN 0.277 nan 8.300 nan 0.000 0.441 335 N N 0.685 119.515 118.700 0.215 0.000 2.476 335 N HA 0.463 5.490 4.740 0.479 0.000 0.276 335 N C -0.389 175.241 175.510 0.201 0.000 1.204 335 N CA -0.213 52.910 53.050 0.122 0.000 0.974 335 N CB 1.571 40.125 38.487 0.111 0.000 1.204 335 N HN 1.046 nan 8.380 nan 0.000 0.543 336 C N -0.784 118.605 119.300 0.150 0.000 2.705 336 C HA 0.575 5.323 4.460 0.479 0.000 0.365 336 C C 0.749 175.853 174.990 0.190 0.000 1.353 336 C CA -0.595 58.538 59.018 0.192 0.000 2.339 336 C CB -0.327 27.520 27.740 0.179 0.000 2.576 336 C HN 0.517 nan 8.230 nan 0.000 0.716 337 S N 1.221 117.047 115.700 0.210 0.000 2.634 337 S HA 0.736 5.493 4.470 0.479 0.000 0.296 337 S C -2.675 172.010 174.600 0.142 0.000 1.104 337 S CA -0.397 57.903 58.200 0.167 0.000 0.920 337 S CB 1.474 64.783 63.200 0.182 0.000 1.111 337 S HN 0.783 nan 8.310 nan 0.000 0.493 338 P HA 0.396 nan 4.420 nan 0.000 0.272 338 P C -1.116 176.095 177.300 -0.148 0.000 1.223 338 P CA 0.026 63.090 63.100 -0.060 0.000 0.784 338 P CB 0.245 31.901 31.700 -0.075 0.000 0.923 339 H N -1.108 117.808 119.070 -0.256 0.000 3.012 339 H HA 0.647 5.492 4.556 0.481 0.000 0.367 339 H C -2.900 172.241 175.328 -0.312 0.000 1.211 339 H CA -2.436 53.240 56.048 -0.620 0.000 1.139 339 H CB -0.453 29.126 29.762 -0.304 0.000 1.838 339 H HN 0.135 nan 8.280 nan 0.000 0.550 340 P HA 0.032 nan 4.420 nan 0.000 0.269 340 P C -1.152 176.360 177.300 0.354 0.000 1.217 340 P CA -0.135 63.011 63.100 0.078 0.000 0.783 340 P CB 0.326 32.089 31.700 0.105 0.000 0.898 341 Y N 0.515 120.813 120.300 -0.003 0.000 2.334 341 Y HA 0.483 5.322 4.550 0.482 0.000 0.328 341 Y C -0.822 174.945 175.900 -0.223 0.000 1.130 341 Y CA 0.020 58.089 58.100 -0.052 0.000 1.163 341 Y CB 0.765 39.134 38.460 -0.151 0.000 1.207 341 Y HN 0.402 nan 8.280 nan 0.000 0.471 342 W N 6.444 127.169 121.300 -0.959 0.000 2.998 342 W HA 0.555 5.507 4.660 0.486 0.000 0.335 342 W C -1.450 174.313 176.519 -1.261 0.000 1.110 342 W CA -0.745 56.031 57.345 -0.948 0.000 1.230 342 W CB 1.480 30.266 29.460 -1.124 0.000 1.405 342 W HN 0.339 nan 8.180 nan 0.000 0.493 343 L N 4.267 125.177 121.223 -0.522 0.000 2.453 343 L HA 0.349 4.976 4.340 0.479 0.000 0.261 343 L C -1.825 174.691 176.870 -0.590 0.000 1.179 343 L CA -1.694 52.789 54.840 -0.594 0.000 0.813 343 L CB 0.206 41.874 42.059 -0.651 0.000 1.110 343 L HN 0.029 nan 8.230 nan 0.000 0.466 344 P HA 0.012 nan 4.420 nan 0.000 0.267 344 P C -0.368 176.800 177.300 -0.221 0.000 1.200 344 P CA 0.178 63.118 63.100 -0.267 0.000 0.772 344 P CB 0.256 31.896 31.700 -0.101 0.000 0.855 345 N N 1.000 119.592 118.700 -0.180 0.000 2.778 345 N HA -0.231 4.797 4.740 0.479 0.000 0.249 345 N C -0.187 175.339 175.510 0.026 0.000 1.069 345 N CA 0.949 53.965 53.050 -0.057 0.000 0.831 345 N CB -1.962 36.529 38.487 0.007 0.000 1.142 345 N HN 0.498 nan 8.380 nan 0.000 0.573 346 F N -2.197 117.671 119.950 -0.136 0.000 3.071 346 F HA -0.266 4.545 4.527 0.474 0.000 0.295 346 F C 0.968 176.796 175.800 0.046 0.000 0.919 346 F CA 0.664 58.543 58.000 -0.202 0.000 1.050 346 F CB -2.088 36.636 39.000 -0.461 0.000 1.040 346 F HN 0.145 nan 8.300 nan 0.000 0.692 347 M N 0.698 120.362 119.600 0.107 0.000 2.241 347 M HA 0.248 5.015 4.480 0.479 0.000 0.335 347 M C 0.703 177.063 176.300 0.100 0.000 1.122 347 M CA 0.031 55.391 55.300 0.100 0.000 1.164 347 M CB 0.521 33.143 32.600 0.037 0.000 1.459 347 M HN 0.284 nan 8.290 nan 0.000 0.461 348 D N 0.222 120.694 120.400 0.121 0.000 2.340 348 D HA 0.275 5.202 4.640 0.479 0.000 0.251 348 D C 0.967 177.295 176.300 0.046 0.000 1.080 348 D CA -0.887 53.150 54.000 0.061 0.000 0.971 348 D CB 0.853 41.723 40.800 0.116 0.000 1.137 348 D HN 0.425 nan 8.370 nan 0.000 0.475 349 V N -1.398 118.464 119.914 -0.088 0.000 2.720 349 V HA -0.153 4.254 4.120 0.479 0.000 0.256 349 V C 1.396 177.527 176.094 0.061 0.000 1.082 349 V CA 1.083 63.376 62.300 -0.012 0.000 1.101 349 V CB -1.209 30.508 31.823 -0.175 0.000 0.693 349 V HN 0.517 nan 8.190 nan 0.000 0.479 350 F N 1.857 121.901 119.950 0.157 0.000 2.128 350 F HA 0.028 4.843 4.527 0.479 0.000 0.295 350 F C 2.717 178.604 175.800 0.146 0.000 1.100 350 F CA 1.787 59.866 58.000 0.131 0.000 1.260 350 F CB -1.491 37.564 39.000 0.091 0.000 1.009 350 F HN 0.106 nan 8.300 nan 0.000 0.476 351 T N -1.233 113.529 114.554 0.347 0.000 2.915 351 T HA -0.225 4.413 4.350 0.479 0.000 0.269 351 T C 1.601 176.474 174.700 0.288 0.000 1.071 351 T CA 1.182 63.438 62.100 0.260 0.000 1.132 351 T CB -0.512 68.485 68.868 0.215 0.000 0.878 351 T HN 0.407 nan 8.240 nan 0.000 0.479 352 W N 2.279 123.630 121.300 0.085 0.000 2.418 352 W HA -0.039 4.908 4.660 0.479 0.000 0.292 352 W C 2.583 179.140 176.519 0.065 0.000 1.213 352 W CA 1.088 58.465 57.345 0.052 0.000 1.283 352 W CB -0.294 29.175 29.460 0.015 0.000 1.119 352 W HN 0.299 nan 8.180 nan 0.000 0.542 353 S N -1.251 114.531 115.700 0.138 0.000 2.497 353 S HA -0.040 4.718 4.470 0.479 0.000 0.221 353 S C 1.746 176.426 174.600 0.133 0.000 1.037 353 S CA 0.507 58.720 58.200 0.021 0.000 0.920 353 S CB -0.749 62.488 63.200 0.061 0.000 0.800 353 S HN 0.082 nan 8.310 nan 0.000 0.505 354 L N 3.211 124.534 121.223 0.166 0.000 2.021 354 L HA 0.026 4.654 4.340 0.479 0.000 0.215 354 L C -1.096 175.831 176.870 0.094 0.000 1.074 354 L CA 1.992 56.913 54.840 0.135 0.000 0.760 354 L CB -1.433 40.707 42.059 0.135 0.000 0.889 354 L HN 0.185 nan 8.230 nan 0.000 0.433 355 P HA -0.199 nan 4.420 nan 0.000 0.216 355 P C 1.621 178.970 177.300 0.081 0.000 1.150 355 P CA 1.332 64.474 63.100 0.070 0.000 0.837 355 P CB -0.173 31.567 31.700 0.068 0.000 0.786 356 F N -0.052 119.856 119.950 -0.070 0.000 2.163 356 F HA -0.139 4.676 4.527 0.480 0.000 0.297 356 F C 1.970 177.737 175.800 -0.055 0.000 1.094 356 F CA 1.192 59.139 58.000 -0.088 0.000 1.290 356 F CB -0.846 38.061 39.000 -0.155 0.000 1.017 356 F HN -0.315 nan 8.300 nan 0.000 0.483 357 V N 0.368 120.277 119.914 -0.009 0.000 2.261 357 V HA -0.238 4.169 4.120 0.479 0.000 0.246 357 V C 2.777 178.798 176.094 -0.123 0.000 1.047 357 V CA 2.035 64.282 62.300 -0.089 0.000 1.015 357 V CB -1.712 30.132 31.823 0.035 0.000 0.642 357 V HN 0.510 nan 8.190 nan 0.000 0.446 358 G N -1.028 107.736 108.800 -0.060 0.000 2.462 358 G HA2 -0.279 3.969 3.960 0.479 0.000 0.220 358 G HA3 -0.279 3.969 3.960 0.479 0.000 0.220 358 G C 1.538 176.383 174.900 -0.091 0.000 1.121 358 G CA 0.997 46.063 45.100 -0.056 0.000 0.758 358 G HN 0.605 nan 8.290 nan 0.000 0.559 359 E N -0.055 120.063 120.200 -0.136 0.000 2.060 359 E HA -0.044 4.593 4.350 0.479 0.000 0.189 359 E C 2.272 178.738 176.600 -0.223 0.000 0.974 359 E CA 0.415 56.722 56.400 -0.155 0.000 0.808 359 E CB 0.015 29.630 29.700 -0.142 0.000 0.768 359 E HN 0.068 nan 8.360 nan 0.000 0.453 360 K N 0.694 120.864 120.400 -0.382 0.000 2.057 360 K HA -0.109 4.499 4.320 0.479 0.000 0.207 360 K C 2.338 178.811 176.600 -0.212 0.000 1.049 360 K CA 1.363 57.423 56.287 -0.378 0.000 0.931 360 K CB -0.532 31.600 32.500 -0.613 0.000 0.714 360 K HN 0.281 nan 8.250 nan 0.000 0.440 361 V N -1.133 118.679 119.914 -0.171 0.000 2.307 361 V HA -0.168 4.240 4.120 0.479 0.000 0.245 361 V C 2.041 178.085 176.094 -0.083 0.000 1.045 361 V CA 2.114 64.352 62.300 -0.104 0.000 1.024 361 V CB -1.444 30.333 31.823 -0.076 0.000 0.651 361 V HN 0.089 nan 8.190 nan 0.000 0.449 362 T N 0.000 114.504 114.554 -0.084 0.000 2.833 362 T HA -0.172 4.466 4.350 0.479 0.000 0.269 362 T C 1.826 176.489 174.700 -0.063 0.000 1.054 362 T CA 1.938 64.001 62.100 -0.062 0.000 1.135 362 T CB -0.300 68.534 68.868 -0.056 0.000 0.869 362 T HN 0.752 nan 8.240 nan 0.000 0.466 363 E N 0.401 120.551 120.200 -0.083 0.000 2.106 363 E HA -0.061 4.576 4.350 0.479 0.000 0.192 363 E C 2.174 178.737 176.600 -0.061 0.000 0.984 363 E CA 0.674 57.029 56.400 -0.074 0.000 0.806 363 E CB -0.127 29.514 29.700 -0.098 0.000 0.750 363 E HN 0.449 nan 8.360 nan 0.000 0.458 364 M N 0.319 119.878 119.600 -0.068 0.000 2.077 364 M HA -0.157 4.611 4.480 0.479 0.000 0.261 364 M C 2.026 178.303 176.300 -0.039 0.000 1.070 364 M CA 1.367 56.636 55.300 -0.052 0.000 1.125 364 M CB 0.007 32.574 32.600 -0.054 0.000 1.339 364 M HN 0.166 nan 8.290 nan 0.000 0.409 365 L N -0.446 120.754 121.223 -0.039 0.000 2.083 365 L HA -0.197 4.431 4.340 0.479 0.000 0.209 365 L C 2.336 179.191 176.870 -0.026 0.000 1.083 365 L CA 0.793 55.616 54.840 -0.030 0.000 0.752 365 L CB -0.767 41.275 42.059 -0.029 0.000 0.899 365 L HN 0.207 nan 8.230 nan 0.000 0.433 366 V N 0.103 120.000 119.914 -0.029 0.000 2.343 366 V HA -0.269 4.139 4.120 0.479 0.000 0.247 366 V C 2.195 178.277 176.094 -0.021 0.000 1.051 366 V CA 1.818 64.104 62.300 -0.024 0.000 1.036 366 V CB -0.604 31.204 31.823 -0.026 0.000 0.654 366 V HN 0.519 nan 8.190 nan 0.000 0.451 367 N N -0.014 118.673 118.700 -0.023 0.000 2.270 367 N HA -0.077 4.951 4.740 0.479 0.000 0.181 367 N C 1.779 177.279 175.510 -0.017 0.000 1.016 367 N CA 1.141 54.180 53.050 -0.019 0.000 0.870 367 N CB -0.074 38.401 38.487 -0.021 0.000 0.979 367 N HN 0.362 nan 8.380 nan 0.000 0.431 368 V N 1.581 121.484 119.914 -0.018 0.000 2.407 368 V HA -0.115 4.292 4.120 0.479 0.000 0.248 368 V C 1.972 178.058 176.094 -0.013 0.000 1.055 368 V CA 1.183 63.474 62.300 -0.016 0.000 1.049 368 V CB -0.288 31.525 31.823 -0.017 0.000 0.662 368 V HN 0.245 nan 8.190 nan 0.000 0.455 369 L N -0.480 120.734 121.223 -0.014 0.000 2.628 369 L HA 0.249 4.876 4.340 0.479 0.000 0.229 369 L C 0.597 177.460 176.870 -0.011 0.000 1.137 369 L CA 0.282 55.115 54.840 -0.012 0.000 0.909 369 L CB -0.471 41.580 42.059 -0.013 0.000 1.137 369 L HN 0.395 nan 8.230 nan 0.000 0.470 370 N N 0.000 118.693 118.700 -0.011 0.000 1.763 370 N HA 0.000 5.028 4.740 0.479 0.000 0.220 370 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 370 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 370 N HN 0.000 nan 8.380 nan 0.000 0.667