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_A 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 0.000 174.704 174.700 0.007 0.000 1.109 14 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 14 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 15 D N -0.561 119.848 120.400 0.016 0.000 2.370 15 D HA 0.088 4.729 4.640 0.002 0.000 0.230 15 D C 0.564 176.882 176.300 0.029 0.000 1.143 15 D CA -0.538 53.474 54.000 0.020 0.000 0.834 15 D CB -0.294 40.519 40.800 0.021 0.000 0.944 15 D HN 0.650 nan 8.370 nan 0.000 0.504 16 R N 0.490 121.013 120.500 0.038 0.000 2.480 16 R HA 0.054 4.395 4.340 0.002 0.000 0.303 16 R C 0.889 177.211 176.300 0.037 0.000 0.985 16 R CA -0.153 55.981 56.100 0.057 0.000 1.051 16 R CB 0.654 31.007 30.300 0.089 0.000 0.935 16 R HN -0.108 nan 8.270 nan 0.000 0.410 17 V N 4.777 124.707 119.914 0.027 0.000 2.244 17 V HA -0.155 3.967 4.120 0.002 0.000 0.244 17 V C 0.791 176.890 176.094 0.008 0.000 1.042 17 V CA 1.366 63.674 62.300 0.013 0.000 1.006 17 V CB -0.059 31.765 31.823 0.003 0.000 0.641 17 V HN 0.584 nan 8.190 nan 0.000 0.446 18 V N 2.141 122.058 119.914 0.004 0.000 2.162 18 V HA 0.145 4.266 4.120 0.002 0.000 0.255 18 V C 1.480 177.582 176.094 0.013 0.000 1.304 18 V CA -0.284 62.014 62.300 -0.003 0.000 1.198 18 V CB 0.049 31.858 31.823 -0.023 0.000 1.333 18 V HN 0.404 nan 8.190 nan 0.000 0.493 19 K N 2.951 123.363 120.400 0.019 0.000 2.074 19 K HA -0.217 4.104 4.320 0.002 0.000 0.209 19 K C 2.268 178.884 176.600 0.027 0.000 1.048 19 K CA 1.601 57.905 56.287 0.029 0.000 0.926 19 K CB -0.563 31.949 32.500 0.020 0.000 0.713 19 K HN 0.641 nan 8.250 nan 0.000 0.444 20 A N 1.533 124.360 122.820 0.012 0.000 1.958 20 A HA -0.121 4.200 4.320 0.002 0.000 0.221 20 A C 1.276 178.865 177.584 0.008 0.000 1.178 20 A CA 1.129 53.170 52.037 0.007 0.000 0.642 20 A CB -0.534 18.463 19.000 -0.005 0.000 0.816 20 A HN 0.085 nan 8.150 nan 0.000 0.453 21 V N 1.518 121.434 119.914 0.002 0.000 2.572 21 V HA 0.189 4.310 4.120 0.002 0.000 0.291 21 V C -2.203 173.907 176.094 0.026 0.000 1.039 21 V CA -1.183 61.113 62.300 -0.007 0.000 1.055 21 V CB 0.610 32.411 31.823 -0.037 0.000 0.969 21 V HN 0.257 nan 8.190 nan 0.000 0.482 22 P HA 0.157 nan 4.420 nan 0.000 0.271 22 P C -0.770 176.576 177.300 0.077 0.000 1.220 22 P CA -0.158 62.980 63.100 0.065 0.000 0.768 22 P CB 0.222 31.950 31.700 0.048 0.000 0.848 23 F N 5.701 125.649 119.950 -0.002 0.000 2.411 23 F HA 0.382 4.910 4.527 0.002 0.000 0.350 23 F C -1.873 173.931 175.800 0.006 0.000 1.114 23 F CA -2.536 55.461 58.000 -0.005 0.000 1.135 23 F CB 0.236 39.236 39.000 -0.001 0.000 1.120 23 F HN 0.281 nan 8.300 nan 0.000 0.495 24 P HA 0.160 nan 4.420 nan 0.000 0.268 24 P C -2.581 174.879 177.300 0.266 0.000 1.205 24 P CA -0.820 62.336 63.100 0.093 0.000 0.771 24 P CB -0.032 31.633 31.700 -0.057 0.000 0.858 25 P HA 0.029 nan 4.420 nan 0.000 0.275 25 P C 0.213 177.639 177.300 0.210 0.000 1.227 25 P CA -0.104 63.132 63.100 0.226 0.000 0.781 25 P CB 0.978 32.829 31.700 0.252 0.000 0.906 26 S N 0.718 116.549 115.700 0.219 0.000 2.517 26 S HA -0.028 4.444 4.470 0.002 0.000 0.214 26 S C 0.778 175.485 174.600 0.177 0.000 0.991 26 S CA 0.027 58.333 58.200 0.177 0.000 0.906 26 S CB -0.874 62.424 63.200 0.164 0.000 0.789 26 S HN 0.647 nan 8.310 nan 0.000 0.513 27 H N 2.633 121.785 119.070 0.137 0.000 2.848 27 H HA 0.461 5.019 4.556 0.002 0.000 0.317 27 H C -0.120 175.303 175.328 0.158 0.000 1.046 27 H CA -0.072 56.045 56.048 0.115 0.000 1.470 27 H CB 0.399 30.211 29.762 0.084 0.000 1.483 27 H HN 0.181 nan 8.280 nan 0.000 0.548 28 R N 5.069 125.276 120.500 -0.489 0.000 2.265 28 R HA 0.265 4.607 4.340 0.002 0.000 0.319 28 R C -0.197 175.725 176.300 -0.629 0.000 1.006 28 R CA -0.771 55.124 56.100 -0.341 0.000 0.880 28 R CB 1.026 31.268 30.300 -0.098 0.000 1.077 28 R HN 0.603 nan 8.270 nan 0.000 0.454 29 L N 3.346 124.308 121.223 -0.434 0.000 2.513 29 L HA 0.031 4.372 4.340 0.002 0.000 0.272 29 L C 1.239 178.046 176.870 -0.105 0.000 1.187 29 L CA 0.202 54.856 54.840 -0.309 0.000 0.895 29 L CB 0.193 42.078 42.059 -0.289 0.000 1.147 29 L HN 0.754 nan 8.230 nan 0.000 0.483 30 T N -0.092 114.448 114.554 -0.023 0.000 2.788 30 T HA 0.383 4.734 4.350 0.002 0.000 0.280 30 T C 1.209 175.954 174.700 0.075 0.000 0.984 30 T CA -0.182 61.943 62.100 0.041 0.000 0.972 30 T CB 1.548 70.459 68.868 0.072 0.000 1.039 30 T HN 0.606 nan 8.240 nan 0.000 0.530 31 A N 0.452 123.338 122.820 0.111 0.000 1.933 31 A HA -0.055 4.266 4.320 0.002 0.000 0.218 31 A C 2.344 180.043 177.584 0.192 0.000 1.175 31 A CA 1.922 54.079 52.037 0.200 0.000 0.628 31 A CB -0.986 18.094 19.000 0.134 0.000 0.814 31 A HN 0.978 nan 8.150 nan 0.000 0.444 32 K N 0.034 120.501 120.400 0.111 0.000 2.097 32 K HA -0.199 4.122 4.320 0.002 0.000 0.206 32 K C 1.704 178.347 176.600 0.070 0.000 1.049 32 K CA 1.784 58.123 56.287 0.087 0.000 0.933 32 K CB -0.171 32.365 32.500 0.059 0.000 0.717 32 K HN 0.681 nan 8.250 nan 0.000 0.442 33 E N -0.175 120.056 120.200 0.052 0.000 2.230 33 E HA -0.078 4.273 4.350 0.002 0.000 0.192 33 E C 1.918 178.501 176.600 -0.029 0.000 0.987 33 E CA 0.677 57.087 56.400 0.016 0.000 0.841 33 E CB 0.315 30.025 29.700 0.017 0.000 0.783 33 E HN 0.086 nan 8.360 nan 0.000 0.481 34 V N 0.500 120.386 119.914 -0.046 0.000 2.500 34 V HA -0.025 4.096 4.120 0.002 0.000 0.243 34 V C 0.421 176.298 176.094 -0.362 0.000 1.039 34 V CA 0.933 63.101 62.300 -0.220 0.000 1.053 34 V CB -0.044 31.601 31.823 -0.296 0.000 0.695 34 V HN 0.058 nan 8.190 nan 0.000 0.463 35 F N 1.315 121.255 119.950 -0.016 0.000 2.427 35 F HA 0.448 4.976 4.527 0.002 0.000 0.346 35 F C 0.353 176.140 175.800 -0.022 0.000 1.120 35 F CA -1.717 56.268 58.000 -0.024 0.000 1.033 35 F CB 0.712 39.698 39.000 -0.024 0.000 1.126 35 F HN 0.193 nan 8.300 nan 0.000 0.462 36 D N 0.260 120.737 120.400 0.128 0.000 2.398 36 D HA 0.056 4.697 4.640 0.002 0.000 0.247 36 D C 0.720 177.068 176.300 0.079 0.000 1.227 36 D CA -0.627 53.416 54.000 0.072 0.000 0.980 36 D CB 0.278 41.095 40.800 0.029 0.000 1.106 36 D HN 0.656 nan 8.370 nan 0.000 0.493 37 N N -1.099 117.627 118.700 0.044 0.000 2.609 37 N HA -0.189 4.552 4.740 0.002 0.000 0.190 37 N C 0.363 175.884 175.510 0.019 0.000 1.157 37 N CA 0.107 53.174 53.050 0.029 0.000 0.918 37 N CB -0.037 38.460 38.487 0.017 0.000 0.978 37 N HN 0.372 nan 8.380 nan 0.000 0.448 38 D N -0.355 120.059 120.400 0.024 0.000 2.349 38 D HA 0.104 4.745 4.640 0.002 0.000 0.214 38 D C 1.370 177.680 176.300 0.017 0.000 1.063 38 D CA 0.631 54.638 54.000 0.011 0.000 0.847 38 D CB -0.009 40.793 40.800 0.004 0.000 0.933 38 D HN 0.421 nan 8.370 nan 0.000 0.513 39 G N 0.788 109.617 108.800 0.047 0.000 2.195 39 G HA2 -0.276 3.685 3.960 0.002 0.000 0.246 39 G HA3 -0.276 3.685 3.960 0.002 0.000 0.246 39 G C 0.318 175.318 174.900 0.167 0.000 0.984 39 G CA 0.183 45.320 45.100 0.062 0.000 0.633 39 G HN 0.390 nan 8.290 nan 0.000 0.525 40 K N 2.159 122.620 120.400 0.102 0.000 2.249 40 K HA 0.426 4.747 4.320 0.002 0.000 0.280 40 K C -2.267 174.348 176.600 0.026 0.000 1.033 40 K CA -1.494 54.817 56.287 0.040 0.000 0.946 40 K CB 1.599 34.069 32.500 -0.051 0.000 1.005 40 K HN 0.152 nan 8.250 nan 0.000 0.469 41 P HA 0.135 nan 4.420 nan 0.000 0.279 41 P C -0.977 176.175 177.300 -0.246 0.000 1.239 41 P CA -0.390 62.498 63.100 -0.353 0.000 0.789 41 P CB 0.731 32.153 31.700 -0.463 0.000 0.933 42 R N 2.020 122.382 120.500 -0.229 0.000 3.266 42 R HA 0.096 4.437 4.340 0.002 0.000 0.224 42 R C 1.614 177.856 176.300 -0.097 0.000 1.525 42 R CA -0.279 55.744 56.100 -0.128 0.000 1.364 42 R CB -0.478 29.769 30.300 -0.087 0.000 1.276 42 R HN 0.362 nan 8.270 nan 0.000 0.660 43 V N -0.730 119.119 119.914 -0.107 0.000 2.453 43 V HA -0.327 3.794 4.120 0.002 0.000 0.252 43 V C 1.875 178.040 176.094 0.117 0.000 1.068 43 V CA 2.252 64.528 62.300 -0.039 0.000 1.070 43 V CB -0.387 31.340 31.823 -0.161 0.000 0.664 43 V HN 0.635 nan 8.190 nan 0.000 0.461 44 D N 0.280 120.717 120.400 0.062 0.000 2.144 44 D HA -0.182 4.459 4.640 0.002 0.000 0.200 44 D C 2.019 178.365 176.300 0.078 0.000 0.978 44 D CA 1.614 55.662 54.000 0.079 0.000 0.833 44 D CB -0.131 40.696 40.800 0.044 0.000 0.961 44 D HN 0.511 nan 8.370 nan 0.000 0.470 45 I N 0.628 121.229 120.570 0.051 0.000 2.286 45 I HA -0.164 4.007 4.170 0.002 0.000 0.245 45 I C 2.477 178.649 176.117 0.092 0.000 1.104 45 I CA 0.419 61.749 61.300 0.051 0.000 1.397 45 I CB -0.421 37.583 38.000 0.006 0.000 1.072 45 I HN 0.008 nan 8.210 nan 0.000 0.417 46 L N 0.790 122.067 121.223 0.090 0.000 2.012 46 L HA -0.253 4.088 4.340 0.002 0.000 0.210 46 L C 2.503 179.497 176.870 0.207 0.000 1.073 46 L CA 1.964 56.891 54.840 0.146 0.000 0.748 46 L CB -0.806 41.332 42.059 0.131 0.000 0.891 46 L HN 0.211 nan 8.230 nan 0.000 0.431 47 K N -0.769 119.763 120.400 0.220 0.000 1.991 47 K HA -0.228 4.093 4.320 0.002 0.000 0.212 47 K C 2.007 178.659 176.600 0.086 0.000 1.049 47 K CA 1.744 58.081 56.287 0.083 0.000 0.932 47 K CB -0.418 32.080 32.500 -0.004 0.000 0.717 47 K HN 0.396 nan 8.250 nan 0.000 0.441 48 A N 0.635 123.514 122.820 0.098 0.000 1.917 48 A HA -0.259 4.063 4.320 0.002 0.000 0.219 48 A C 2.034 179.707 177.584 0.148 0.000 1.182 48 A CA 2.185 54.286 52.037 0.107 0.000 0.633 48 A CB -1.004 18.057 19.000 0.103 0.000 0.819 48 A HN 0.652 nan 8.150 nan 0.000 0.448 49 H N -0.138 118.969 119.070 0.061 0.000 2.276 49 H HA 0.042 4.599 4.556 0.002 0.000 0.301 49 H C 1.819 177.175 175.328 0.046 0.000 1.073 49 H CA 1.914 57.998 56.048 0.061 0.000 1.311 49 H CB -0.361 29.431 29.762 0.051 0.000 1.379 49 H HN 0.335 nan 8.280 nan 0.000 0.494 50 L N -0.372 120.843 121.223 -0.013 0.000 2.079 50 L HA -0.228 4.113 4.340 0.002 0.000 0.210 50 L C 2.593 179.372 176.870 -0.153 0.000 1.081 50 L CA 1.500 56.225 54.840 -0.192 0.000 0.752 50 L CB -0.467 41.387 42.059 -0.341 0.000 0.896 50 L HN 0.396 nan 8.230 nan 0.000 0.433 51 M N -0.589 119.030 119.600 0.032 0.000 2.358 51 M HA -0.185 4.296 4.480 0.002 0.000 0.264 51 M C 1.587 178.006 176.300 0.199 0.000 1.064 51 M CA 1.520 56.881 55.300 0.102 0.000 1.093 51 M CB -0.170 32.494 32.600 0.107 0.000 1.401 51 M HN 0.148 nan 8.290 nan 0.000 0.440 52 K N 0.308 120.758 120.400 0.084 0.000 2.417 52 K HA 0.070 4.392 4.320 0.002 0.000 0.196 52 K C -0.327 176.297 176.600 0.040 0.000 1.023 52 K CA 0.104 56.437 56.287 0.078 0.000 1.122 52 K CB 0.233 32.765 32.500 0.053 0.000 0.850 52 K HN 0.264 nan 8.250 nan 0.000 0.521 53 E N -0.317 119.910 120.200 0.045 0.000 2.442 53 E HA -0.141 4.211 4.350 0.002 0.000 0.256 53 E C 0.060 176.621 176.600 -0.065 0.000 1.095 53 E CA 0.191 56.635 56.400 0.074 0.000 0.747 53 E CB -1.592 28.196 29.700 0.147 0.000 1.310 53 E HN 0.527 nan 8.360 nan 0.000 0.396 54 G N 0.210 108.835 108.800 -0.292 0.000 2.477 54 G HA2 0.612 4.573 3.960 0.002 0.000 0.304 54 G HA3 0.612 4.573 3.960 0.002 0.000 0.304 54 G C -0.103 174.619 174.900 -0.297 0.000 1.175 54 G CA -0.584 44.183 45.100 -0.555 0.000 0.907 54 G HN 0.011 nan 8.290 nan 0.000 0.509 55 R N -0.863 119.618 120.500 -0.031 0.000 2.873 55 R HA 0.582 4.923 4.340 0.002 0.000 0.264 55 R C -0.542 175.936 176.300 0.297 0.000 1.026 55 R CA -0.764 55.411 56.100 0.125 0.000 1.002 55 R CB 1.906 32.163 30.300 -0.073 0.000 1.174 55 R HN 0.328 nan 8.270 nan 0.000 0.488 56 L N 0.749 122.173 121.223 0.334 0.000 2.334 56 L HA 0.420 4.761 4.340 0.002 0.000 0.270 56 L C 0.190 177.193 176.870 0.223 0.000 1.018 56 L CA -0.874 54.094 54.840 0.214 0.000 0.811 56 L CB 1.468 43.624 42.059 0.160 0.000 1.271 56 L HN 0.448 nan 8.230 nan 0.000 0.443 57 E N 0.864 121.129 120.200 0.109 0.000 2.414 57 E HA -0.087 4.264 4.350 0.002 0.000 0.263 57 E C 0.635 177.321 176.600 0.143 0.000 1.000 57 E CA 0.142 56.605 56.400 0.104 0.000 0.914 57 E CB 0.982 30.717 29.700 0.057 0.000 0.948 57 E HN 0.577 nan 8.360 nan 0.000 0.444 58 E N 2.253 122.554 120.200 0.168 0.000 2.108 58 E HA -0.320 4.032 4.350 0.002 0.000 0.203 58 E C 1.729 178.359 176.600 0.049 0.000 1.022 58 E CA 2.092 58.580 56.400 0.148 0.000 0.823 58 E CB 0.037 29.814 29.700 0.129 0.000 0.744 58 E HN 0.568 nan 8.360 nan 0.000 0.456 59 S N -0.382 115.347 115.700 0.048 0.000 2.399 59 S HA -0.125 4.346 4.470 0.002 0.000 0.231 59 S C 2.066 176.690 174.600 0.040 0.000 1.022 59 S CA 1.297 59.514 58.200 0.029 0.000 0.983 59 S CB -0.383 62.833 63.200 0.027 0.000 0.803 59 S HN 0.191 nan 8.310 nan 0.000 0.480 60 V N 2.497 122.453 119.914 0.071 0.000 2.323 60 V HA -0.021 4.101 4.120 0.002 0.000 0.244 60 V C 3.151 179.306 176.094 0.102 0.000 1.041 60 V CA 1.463 63.842 62.300 0.132 0.000 1.025 60 V CB -1.553 30.351 31.823 0.135 0.000 0.656 60 V HN 0.640 nan 8.190 nan 0.000 0.451 61 A N -0.194 122.625 122.820 -0.002 0.000 1.940 61 A HA -0.195 4.126 4.320 0.002 0.000 0.219 61 A C 2.166 179.690 177.584 -0.101 0.000 1.176 61 A CA 1.896 53.857 52.037 -0.126 0.000 0.631 61 A CB -0.577 18.179 19.000 -0.406 0.000 0.814 61 A HN 0.416 nan 8.150 nan 0.000 0.446 62 L N -0.359 120.821 121.223 -0.071 0.000 2.046 62 L HA -0.109 4.232 4.340 0.002 0.000 0.208 62 L C 2.545 179.407 176.870 -0.013 0.000 1.077 62 L CA 2.212 57.017 54.840 -0.058 0.000 0.747 62 L CB -0.570 41.465 42.059 -0.040 0.000 0.896 62 L HN 0.514 nan 8.230 nan 0.000 0.432 63 R N -0.484 120.030 120.500 0.023 0.000 2.066 63 R HA -0.138 4.203 4.340 0.002 0.000 0.232 63 R C 2.340 178.710 176.300 0.117 0.000 1.131 63 R CA 1.660 57.772 56.100 0.020 0.000 0.955 63 R CB -0.319 29.956 30.300 -0.041 0.000 0.851 63 R HN 0.348 nan 8.270 nan 0.000 0.432 64 I N 0.762 121.465 120.570 0.222 0.000 2.163 64 I HA -0.332 3.839 4.170 0.002 0.000 0.243 64 I C 2.284 178.534 176.117 0.221 0.000 1.085 64 I CA 1.512 62.971 61.300 0.265 0.000 1.347 64 I CB -0.257 37.837 38.000 0.157 0.000 1.044 64 I HN 0.248 nan 8.210 nan 0.000 0.408 65 I N 0.516 121.134 120.570 0.080 0.000 2.226 65 I HA -0.279 3.892 4.170 0.002 0.000 0.245 65 I C 2.760 178.977 176.117 0.166 0.000 1.100 65 I CA 2.004 63.321 61.300 0.029 0.000 1.374 65 I CB -0.703 37.186 38.000 -0.185 0.000 1.057 65 I HN 0.416 nan 8.210 nan 0.000 0.413 66 T N -1.941 112.666 114.554 0.088 0.000 2.812 66 T HA -0.123 4.228 4.350 0.002 0.000 0.264 66 T C 1.700 176.456 174.700 0.094 0.000 1.042 66 T CA 1.012 63.157 62.100 0.075 0.000 1.140 66 T CB -0.421 68.458 68.868 0.018 0.000 0.870 66 T HN 0.349 nan 8.240 nan 0.000 0.445 67 E N 1.149 121.402 120.200 0.088 0.000 2.106 67 E HA 0.014 4.365 4.350 0.002 0.000 0.192 67 E C 2.514 179.162 176.600 0.080 0.000 0.984 67 E CA 0.808 57.244 56.400 0.060 0.000 0.806 67 E CB -0.532 29.191 29.700 0.039 0.000 0.750 67 E HN 0.687 nan 8.360 nan 0.000 0.458 68 G N 1.038 109.940 108.800 0.171 0.000 2.418 68 G HA2 -0.253 3.708 3.960 0.002 0.000 0.217 68 G HA3 -0.253 3.708 3.960 0.002 0.000 0.217 68 G C 1.659 176.561 174.900 0.002 0.000 1.158 68 G CA 0.816 45.938 45.100 0.037 0.000 0.771 68 G HN 0.343 nan 8.290 nan 0.000 0.545 69 A N 0.867 123.816 122.820 0.216 0.000 1.902 69 A HA 0.008 4.329 4.320 0.002 0.000 0.217 69 A C 2.703 180.352 177.584 0.108 0.000 1.181 69 A CA 2.225 54.384 52.037 0.204 0.000 0.623 69 A CB -0.682 18.451 19.000 0.222 0.000 0.818 69 A HN 0.305 nan 8.150 nan 0.000 0.443 70 S N -0.018 115.725 115.700 0.072 0.000 2.365 70 S HA -0.185 4.287 4.470 0.002 0.000 0.225 70 S C 1.815 176.433 174.600 0.029 0.000 1.039 70 S CA 1.725 59.948 58.200 0.039 0.000 1.033 70 S CB -0.551 62.660 63.200 0.017 0.000 0.887 70 S HN 0.553 nan 8.310 nan 0.000 0.447 71 I N 1.293 121.866 120.570 0.004 0.000 2.142 71 I HA -0.185 3.987 4.170 0.002 0.000 0.240 71 I C 2.124 178.248 176.117 0.010 0.000 1.078 71 I CA 1.111 62.404 61.300 -0.012 0.000 1.343 71 I CB -0.469 37.494 38.000 -0.062 0.000 1.046 71 I HN 0.218 nan 8.210 nan 0.000 0.405 72 L N 0.291 121.508 121.223 -0.010 0.000 2.042 72 L HA -0.241 4.101 4.340 0.002 0.000 0.210 72 L C 2.754 179.711 176.870 0.145 0.000 1.076 72 L CA 1.378 56.236 54.840 0.031 0.000 0.749 72 L CB -0.666 41.390 42.059 -0.006 0.000 0.893 72 L HN 0.245 nan 8.230 nan 0.000 0.432 73 R N 0.278 120.886 120.500 0.181 0.000 2.159 73 R HA -0.203 4.138 4.340 0.002 0.000 0.237 73 R C 2.142 178.561 176.300 0.198 0.000 1.131 73 R CA 1.447 57.708 56.100 0.268 0.000 0.982 73 R CB -0.019 30.356 30.300 0.126 0.000 0.868 73 R HN 0.513 nan 8.270 nan 0.000 0.453 74 Q N -0.283 119.589 119.800 0.120 0.000 2.389 74 Q HA 0.003 4.344 4.340 0.002 0.000 0.204 74 Q C -0.085 175.986 176.000 0.118 0.000 0.944 74 Q CA 0.415 56.274 55.803 0.093 0.000 0.908 74 Q CB 0.329 29.101 28.738 0.055 0.000 1.002 74 Q HN 0.439 nan 8.270 nan 0.000 0.493 75 E N 1.350 121.633 120.200 0.138 0.000 2.391 75 E HA 0.142 4.493 4.350 0.002 0.000 0.255 75 E C -0.360 176.319 176.600 0.131 0.000 1.187 75 E CA -0.067 56.410 56.400 0.130 0.000 0.941 75 E CB 0.669 30.451 29.700 0.137 0.000 1.010 75 E HN 0.008 nan 8.360 nan 0.000 0.458 76 K N 1.165 121.618 120.400 0.089 0.000 2.087 76 K HA 0.170 4.491 4.320 0.002 0.000 0.255 76 K C 0.743 177.363 176.600 0.034 0.000 0.988 76 K CA -0.664 55.664 56.287 0.069 0.000 0.915 76 K CB 0.610 33.136 32.500 0.043 0.000 1.043 76 K HN 0.304 nan 8.250 nan 0.000 0.457 77 N N 0.585 119.296 118.700 0.018 0.000 2.094 77 N HA -0.163 4.579 4.740 0.002 0.000 0.191 77 N C 0.240 175.742 175.510 -0.012 0.000 1.023 77 N CA 1.093 54.130 53.050 -0.021 0.000 0.857 77 N CB -0.158 38.319 38.487 -0.017 0.000 1.013 77 N HN 0.279 nan 8.380 nan 0.000 0.426 78 L N 1.706 122.928 121.223 -0.002 0.000 2.301 78 L HA 0.370 4.711 4.340 0.002 0.000 0.278 78 L C -0.775 176.078 176.870 -0.029 0.000 1.022 78 L CA -0.342 54.493 54.840 -0.009 0.000 0.854 78 L CB 0.541 42.602 42.059 0.003 0.000 1.226 78 L HN -0.050 nan 8.230 nan 0.000 0.429 79 L N 3.745 124.933 121.223 -0.058 0.000 2.461 79 L HA 0.231 4.572 4.340 0.002 0.000 0.272 79 L C -0.050 176.726 176.870 -0.156 0.000 1.197 79 L CA -0.014 54.746 54.840 -0.132 0.000 0.836 79 L CB 0.318 42.238 42.059 -0.232 0.000 1.105 79 L HN 0.531 nan 8.230 nan 0.000 0.477 80 D N 4.197 124.489 120.400 -0.180 0.000 2.454 80 D HA 0.418 5.059 4.640 0.002 0.000 0.225 80 D C -0.332 175.839 176.300 -0.215 0.000 1.081 80 D CA -0.000 53.916 54.000 -0.140 0.000 0.864 80 D CB 1.480 42.232 40.800 -0.080 0.000 1.040 80 D HN 0.258 nan 8.370 nan 0.000 0.517 81 I N 2.285 122.737 120.570 -0.195 0.000 2.378 81 I HA 0.148 4.320 4.170 0.002 0.000 0.291 81 I C 0.207 176.299 176.117 -0.041 0.000 0.992 81 I CA -0.856 60.328 61.300 -0.195 0.000 1.154 81 I CB 1.840 39.691 38.000 -0.247 0.000 1.315 81 I HN 0.011 nan 8.210 nan 0.000 0.448 82 D N 4.962 125.363 120.400 0.002 0.000 2.283 82 D HA 0.448 5.089 4.640 0.002 0.000 0.248 82 D C 0.041 176.390 176.300 0.082 0.000 1.072 82 D CA -0.208 53.820 54.000 0.046 0.000 0.929 82 D CB 1.851 42.675 40.800 0.041 0.000 1.182 82 D HN 0.536 nan 8.370 nan 0.000 0.433 83 A N 1.944 124.830 122.820 0.110 0.000 2.302 83 A HA 0.529 4.850 4.320 0.002 0.000 0.285 83 A C -2.047 175.554 177.584 0.028 0.000 1.105 83 A CA -0.946 51.163 52.037 0.121 0.000 0.816 83 A CB 0.030 19.137 19.000 0.180 0.000 1.067 83 A HN 0.403 nan 8.150 nan 0.000 0.489 84 P HA 0.504 nan 4.420 nan 0.000 0.276 84 P C -0.854 176.445 177.300 -0.002 0.000 1.244 84 P CA -0.181 62.896 63.100 -0.038 0.000 0.801 84 P CB 1.456 33.105 31.700 -0.086 0.000 1.006 85 V N 0.126 120.035 119.914 -0.008 0.000 3.177 85 V HA 0.370 4.491 4.120 0.002 0.000 0.287 85 V C -1.370 174.650 176.094 -0.124 0.000 1.465 85 V CA -0.358 61.915 62.300 -0.046 0.000 1.020 85 V CB 2.263 34.109 31.823 0.037 0.000 1.152 85 V HN 0.637 nan 8.190 nan 0.000 0.448 86 T N 4.749 119.129 114.554 -0.291 0.000 2.756 86 T HA 0.601 4.952 4.350 0.002 0.000 0.290 86 T C -0.542 174.000 174.700 -0.262 0.000 0.985 86 T CA -0.245 61.638 62.100 -0.361 0.000 0.955 86 T CB 1.191 69.624 68.868 -0.726 0.000 0.930 86 T HN 0.673 nan 8.240 nan 0.000 0.451 87 V N 3.598 123.408 119.914 -0.173 0.000 2.407 87 V HA 0.425 4.546 4.120 0.002 0.000 0.278 87 V C 0.103 176.093 176.094 -0.174 0.000 1.037 87 V CA -0.726 61.483 62.300 -0.151 0.000 0.900 87 V CB 0.882 32.633 31.823 -0.120 0.000 0.983 87 V HN 1.026 nan 8.190 nan 0.000 0.459 88 C N 3.638 122.780 119.300 -0.264 0.000 2.507 88 C HA 0.874 5.335 4.460 0.002 0.000 0.319 88 C C 1.069 175.987 174.990 -0.119 0.000 1.208 88 C CA -0.591 58.273 59.018 -0.256 0.000 1.619 88 C CB 1.019 28.404 27.740 -0.592 0.000 2.230 88 C HN 1.030 nan 8.230 nan 0.000 0.492 89 G N 0.661 109.424 108.800 -0.061 0.000 2.630 89 G HA2 0.454 4.415 3.960 0.002 0.000 0.223 89 G HA3 0.454 4.415 3.960 0.002 0.000 0.223 89 G C -0.803 174.037 174.900 -0.100 0.000 1.434 89 G CA -0.260 44.816 45.100 -0.041 0.000 1.057 89 G HN 0.750 nan 8.290 nan 0.000 0.570 90 D N -0.338 119.931 120.400 -0.218 0.000 2.506 90 D HA 0.098 4.740 4.640 0.002 0.000 0.234 90 D C 1.004 177.085 176.300 -0.365 0.000 1.143 90 D CA 0.040 53.826 54.000 -0.358 0.000 0.871 90 D CB 1.206 41.779 40.800 -0.378 0.000 1.190 90 D HN 0.013 nan 8.370 nan 0.000 0.459 91 I N 0.705 121.113 120.570 -0.270 0.000 3.812 91 I HA -0.042 4.129 4.170 0.002 0.000 0.292 91 I C 0.423 176.539 176.117 -0.002 0.000 1.206 91 I CA 0.275 61.533 61.300 -0.070 0.000 1.370 91 I CB -0.679 37.376 38.000 0.091 0.000 1.328 91 I HN 0.469 nan 8.210 nan 0.000 0.453 92 H N 2.029 121.061 119.070 -0.064 0.000 2.506 92 H HA -0.169 4.388 4.556 0.002 0.000 0.323 92 H C 1.542 176.866 175.328 -0.007 0.000 1.076 92 H CA 0.856 56.862 56.048 -0.070 0.000 1.108 92 H CB -1.572 28.188 29.762 -0.003 0.000 1.569 92 H HN 0.625 nan 8.280 nan 0.000 0.399 93 G N 1.162 110.038 108.800 0.127 0.000 2.212 93 G HA2 -0.369 3.593 3.960 0.002 0.000 0.267 93 G HA3 -0.369 3.593 3.960 0.002 0.000 0.267 93 G C 0.525 175.608 174.900 0.305 0.000 1.002 93 G CA 0.727 45.942 45.100 0.191 0.000 0.729 93 G HN 0.641 nan 8.290 nan 0.000 0.517 94 Q N -0.657 119.305 119.800 0.270 0.000 3.207 94 Q HA 0.421 4.762 4.340 0.002 0.000 0.335 94 Q C 1.282 177.468 176.000 0.309 0.000 1.374 94 Q CA -0.834 55.156 55.803 0.310 0.000 1.023 94 Q CB -0.077 28.796 28.738 0.223 0.000 1.576 94 Q HN 0.431 nan 8.270 nan 0.000 0.515 95 F N 0.502 120.568 119.950 0.193 0.000 2.111 95 F HA -0.303 4.226 4.527 0.003 0.000 0.300 95 F C 1.024 176.682 175.800 -0.237 0.000 1.088 95 F CA 1.759 59.717 58.000 -0.070 0.000 1.243 95 F CB 0.031 38.888 39.000 -0.239 0.000 0.996 95 F HN 0.354 nan 8.300 nan 0.000 0.483 96 F N 0.187 120.120 119.950 -0.029 0.000 2.365 96 F HA -0.142 4.386 4.527 0.002 0.000 0.300 96 F C 2.263 178.035 175.800 -0.046 0.000 1.090 96 F CA 1.278 59.223 58.000 -0.090 0.000 1.408 96 F CB -0.624 38.387 39.000 0.020 0.000 1.060 96 F HN -0.020 nan 8.300 nan 0.000 0.534 97 D N -0.247 120.258 120.400 0.175 0.000 2.289 97 D HA -0.047 4.594 4.640 0.002 0.000 0.207 97 D C 2.245 178.593 176.300 0.080 0.000 0.966 97 D CA 0.493 54.617 54.000 0.207 0.000 0.868 97 D CB -0.155 40.810 40.800 0.274 0.000 0.943 97 D HN 0.231 nan 8.370 nan 0.000 0.514 98 L N 0.614 121.797 121.223 -0.066 0.000 2.156 98 L HA -0.064 4.277 4.340 0.002 0.000 0.208 98 L C 1.952 178.680 176.870 -0.236 0.000 1.095 98 L CA 1.186 55.927 54.840 -0.165 0.000 0.770 98 L CB -0.285 41.679 42.059 -0.160 0.000 0.914 98 L HN -0.144 nan 8.230 nan 0.000 0.439 99 M N -0.446 118.955 119.600 -0.331 0.000 2.175 99 M HA -0.197 4.284 4.480 0.002 0.000 0.264 99 M C 2.285 178.522 176.300 -0.105 0.000 1.063 99 M CA 1.590 56.745 55.300 -0.242 0.000 1.119 99 M CB -1.082 31.295 32.600 -0.372 0.000 1.377 99 M HN 0.310 nan 8.290 nan 0.000 0.415 100 K N 0.597 120.917 120.400 -0.133 0.000 2.155 100 K HA -0.066 4.255 4.320 0.002 0.000 0.203 100 K C 2.036 178.372 176.600 -0.440 0.000 1.052 100 K CA 0.473 56.653 56.287 -0.180 0.000 0.948 100 K CB -0.050 32.402 32.500 -0.080 0.000 0.728 100 K HN 0.244 nan 8.250 nan 0.000 0.448 101 L N 0.347 121.241 121.223 -0.548 0.000 2.079 101 L HA -0.172 4.169 4.340 0.002 0.000 0.210 101 L C 1.663 178.255 176.870 -0.464 0.000 1.081 101 L CA 1.425 55.811 54.840 -0.757 0.000 0.752 101 L CB -0.204 41.582 42.059 -0.455 0.000 0.896 101 L HN 0.145 nan 8.230 nan 0.000 0.433 102 F N 0.410 120.274 119.950 -0.143 0.000 2.325 102 F HA -0.114 4.414 4.527 0.002 0.000 0.299 102 F C 2.411 178.194 175.800 -0.029 0.000 1.090 102 F CA 1.115 59.093 58.000 -0.037 0.000 1.392 102 F CB -0.357 38.612 39.000 -0.052 0.000 1.053 102 F HN 0.171 nan 8.300 nan 0.000 0.521 103 E N -0.130 120.101 120.200 0.052 0.000 2.028 103 E HA -0.142 4.210 4.350 0.002 0.000 0.191 103 E C 2.384 178.972 176.600 -0.021 0.000 0.988 103 E CA 1.465 57.875 56.400 0.016 0.000 0.799 103 E CB -0.447 29.236 29.700 -0.028 0.000 0.755 103 E HN 0.157 nan 8.360 nan 0.000 0.447 104 V N 0.792 120.628 119.914 -0.131 0.000 2.407 104 V HA -0.168 3.954 4.120 0.002 0.000 0.248 104 V C 2.214 178.273 176.094 -0.059 0.000 1.055 104 V CA 1.991 64.211 62.300 -0.133 0.000 1.049 104 V CB -0.611 31.029 31.823 -0.305 0.000 0.662 104 V HN 0.417 nan 8.190 nan 0.000 0.455 105 G N -1.281 107.511 108.800 -0.013 0.000 2.838 105 G HA2 0.448 4.409 3.960 0.002 0.000 0.210 105 G HA3 0.448 4.409 3.960 0.002 0.000 0.210 105 G C 0.692 175.632 174.900 0.068 0.000 1.153 105 G CA 0.643 45.763 45.100 0.033 0.000 0.778 105 G HN 1.076 nan 8.290 nan 0.000 0.539 106 G N -0.728 108.170 108.800 0.163 0.000 2.770 106 G HA2 0.217 4.179 3.960 0.002 0.000 0.686 106 G HA3 0.217 4.179 3.960 0.002 0.000 0.686 106 G C -0.195 174.881 174.900 0.293 0.000 1.180 106 G CA -0.116 45.070 45.100 0.143 0.000 0.767 106 G HN 0.938 nan 8.290 nan 0.000 0.646 107 S N 2.690 118.482 115.700 0.154 0.000 2.537 107 S HA 0.457 4.928 4.470 0.002 0.000 0.286 107 S C 0.107 174.741 174.600 0.056 0.000 1.299 107 S CA -0.167 58.089 58.200 0.093 0.000 1.067 107 S CB 0.953 64.162 63.200 0.015 0.000 0.864 107 S HN 0.574 nan 8.310 nan 0.000 0.494 108 P HA -0.027 nan 4.420 nan 0.000 0.228 108 P C 1.002 177.855 177.300 -0.745 0.000 1.151 108 P CA 0.930 63.885 63.100 -0.242 0.000 0.770 108 P CB -0.134 31.336 31.700 -0.384 0.000 0.786 109 A N 1.445 123.972 122.820 -0.489 0.000 2.015 109 A HA -0.119 4.202 4.320 0.002 0.000 0.219 109 A C 1.620 179.065 177.584 -0.233 0.000 1.163 109 A CA 1.539 53.349 52.037 -0.380 0.000 0.646 109 A CB -0.786 18.185 19.000 -0.048 0.000 0.806 109 A HN 0.384 nan 8.150 nan 0.000 0.448 110 N N -1.631 116.974 118.700 -0.159 0.000 2.390 110 N HA 0.078 4.820 4.740 0.002 0.000 0.259 110 N C -1.035 174.433 175.510 -0.069 0.000 1.395 110 N CA 0.147 53.145 53.050 -0.087 0.000 0.852 110 N CB 0.187 38.649 38.487 -0.042 0.000 1.371 110 N HN -0.015 nan 8.380 nan 0.000 0.491 111 T N 0.562 115.071 114.554 -0.075 0.000 2.928 111 T HA 0.324 4.675 4.350 0.002 0.000 0.296 111 T C -0.661 174.017 174.700 -0.036 0.000 1.000 111 T CA -0.615 61.449 62.100 -0.061 0.000 0.989 111 T CB 2.404 71.254 68.868 -0.031 0.000 1.005 111 T HN 0.167 nan 8.240 nan 0.000 0.442 112 R N 2.413 122.872 120.500 -0.068 0.000 2.389 112 R HA 0.435 4.777 4.340 0.002 0.000 0.295 112 R C -1.335 174.934 176.300 -0.051 0.000 1.075 112 R CA -0.133 55.982 56.100 0.024 0.000 1.005 112 R CB 0.415 30.758 30.300 0.072 0.000 0.987 112 R HN 0.616 nan 8.270 nan 0.000 0.452 113 Y N 3.358 123.737 120.300 0.132 0.000 2.485 113 Y HA 0.445 4.997 4.550 0.002 0.000 0.345 113 Y C -0.741 175.297 175.900 0.231 0.000 0.998 113 Y CA -0.951 57.235 58.100 0.143 0.000 1.059 113 Y CB 2.076 40.695 38.460 0.265 0.000 1.234 113 Y HN 0.469 nan 8.280 nan 0.000 0.461 114 L N 3.872 125.243 121.223 0.248 0.000 2.446 114 L HA 0.582 4.923 4.340 0.002 0.000 0.268 114 L C -2.153 174.758 176.870 0.069 0.000 0.975 114 L CA -0.538 54.448 54.840 0.244 0.000 0.848 114 L CB 0.358 42.498 42.059 0.135 0.000 1.225 114 L HN 0.387 nan 8.230 nan 0.000 0.410 115 F N 4.920 125.019 119.950 0.248 0.000 2.421 115 F HA 0.439 4.967 4.527 0.002 0.000 0.337 115 F C 0.929 176.836 175.800 0.178 0.000 1.105 115 F CA -0.462 57.682 58.000 0.240 0.000 1.049 115 F CB 1.619 40.848 39.000 0.383 0.000 1.139 115 F HN 0.368 nan 8.300 nan 0.000 0.479 116 L N 3.044 124.394 121.223 0.211 0.000 2.653 116 L HA 0.419 4.760 4.340 0.002 0.000 0.231 116 L C 0.843 177.734 176.870 0.035 0.000 1.153 116 L CA 0.058 54.974 54.840 0.127 0.000 0.933 116 L CB -0.949 41.166 42.059 0.092 0.000 1.175 116 L HN 0.909 nan 8.230 nan 0.000 0.473 117 G N -0.315 108.326 108.800 -0.264 0.000 2.498 117 G HA2 -0.133 3.828 3.960 0.002 0.000 0.651 117 G HA3 -0.133 3.828 3.960 0.002 0.000 0.651 117 G C -0.650 173.597 174.900 -1.090 0.000 1.284 117 G CA -0.661 43.903 45.100 -0.894 0.000 0.950 117 G HN 0.176 nan 8.290 nan 0.000 0.511 118 D N -1.577 118.149 120.400 -1.124 0.000 2.746 118 D HA -0.149 4.492 4.640 0.002 0.000 0.241 118 D C 0.754 176.513 176.300 -0.902 0.000 1.140 118 D CA 1.655 55.100 54.000 -0.925 0.000 0.707 118 D CB -1.190 39.144 40.800 -0.776 0.000 1.034 118 D HN 0.675 nan 8.370 nan 0.000 0.423 119 Y N -1.382 118.675 120.300 -0.406 0.000 2.448 119 Y HA 0.124 4.675 4.550 0.002 0.000 0.289 119 Y C 1.731 177.468 175.900 -0.271 0.000 1.114 119 Y CA 0.527 58.460 58.100 -0.278 0.000 1.235 119 Y CB 0.112 38.449 38.460 -0.206 0.000 1.045 119 Y HN 0.244 nan 8.280 nan 0.000 0.554 120 V N -3.158 116.613 119.914 -0.238 0.000 3.096 120 V HA 0.627 4.748 4.120 0.002 0.000 0.319 120 V C -0.782 175.273 176.094 -0.064 0.000 1.103 120 V CA -1.314 60.861 62.300 -0.208 0.000 1.016 120 V CB 1.872 33.351 31.823 -0.574 0.000 1.090 120 V HN 0.173 nan 8.190 nan 0.000 0.449 121 D N 0.409 120.831 120.400 0.036 0.000 10.699 121 D HA -0.096 4.545 4.640 0.002 0.000 0.332 121 D C 0.788 177.004 176.300 -0.139 0.000 3.140 121 D CA 0.742 54.754 54.000 0.020 0.000 2.729 121 D CB -0.168 40.595 40.800 -0.061 0.000 1.225 121 D HN 1.051 nan 8.370 nan 0.000 0.945 122 R N -1.384 118.976 120.500 -0.234 0.000 1.680 122 R HA -0.217 4.124 4.340 0.002 0.000 0.092 122 R C 1.093 177.047 176.300 -0.577 0.000 0.930 122 R CA 2.109 57.973 56.100 -0.394 0.000 1.943 122 R CB -1.738 28.287 30.300 -0.458 0.000 0.490 122 R HN 0.597 nan 8.270 nan 0.000 0.707 123 G N -0.493 108.093 108.800 -0.356 0.000 2.503 123 G HA2 0.348 4.309 3.960 0.002 0.000 0.257 123 G HA3 0.348 4.309 3.960 0.002 0.000 0.257 123 G C -0.143 174.442 174.900 -0.525 0.000 1.214 123 G CA -0.297 44.592 45.100 -0.352 0.000 0.839 123 G HN 0.262 nan 8.290 nan 0.000 0.559 124 Y N 0.090 120.176 120.300 -0.356 0.000 2.495 124 Y HA 0.280 4.831 4.550 0.002 0.000 0.293 124 Y C 0.323 175.707 175.900 -0.860 0.000 1.186 124 Y CA -0.388 57.319 58.100 -0.654 0.000 1.266 124 Y CB 0.078 37.888 38.460 -1.083 0.000 1.101 124 Y HN 0.409 nan 8.280 nan 0.000 0.517 125 F N -2.361 117.732 119.950 0.238 0.000 2.749 125 F HA 0.273 4.802 4.527 0.002 0.000 0.380 125 F C 1.324 177.222 175.800 0.164 0.000 1.365 125 F CA -0.425 57.706 58.000 0.218 0.000 1.186 125 F CB 0.101 39.283 39.000 0.305 0.000 1.080 125 F HN -0.208 nan 8.300 nan 0.000 0.513 126 S N 0.329 116.173 115.700 0.241 0.000 2.383 126 S HA -0.147 4.324 4.470 0.002 0.000 0.227 126 S C 2.134 176.879 174.600 0.241 0.000 1.026 126 S CA 0.996 59.326 58.200 0.218 0.000 0.981 126 S CB -0.093 63.252 63.200 0.241 0.000 0.818 126 S HN 0.467 nan 8.310 nan 0.000 0.472 127 I N 2.117 122.875 120.570 0.314 0.000 2.315 127 I HA -0.114 4.057 4.170 0.002 0.000 0.248 127 I C 1.841 178.001 176.117 0.072 0.000 1.117 127 I CA 1.398 62.846 61.300 0.247 0.000 1.404 127 I CB -0.290 37.816 38.000 0.177 0.000 1.071 127 I HN 0.069 nan 8.210 nan 0.000 0.419 128 E N -0.353 119.856 120.200 0.015 0.000 2.072 128 E HA -0.184 4.167 4.350 0.002 0.000 0.191 128 E C 2.372 178.951 176.600 -0.035 0.000 0.985 128 E CA 1.595 57.847 56.400 -0.246 0.000 0.801 128 E CB -0.666 28.545 29.700 -0.814 0.000 0.750 128 E HN 0.512 nan 8.360 nan 0.000 0.452 129 C N -0.173 119.246 119.300 0.200 0.000 2.413 129 C HA -0.099 4.362 4.460 0.002 0.000 0.276 129 C C 2.648 177.752 174.990 0.190 0.000 1.236 129 C CA 0.549 59.781 59.018 0.357 0.000 1.735 129 C CB -0.753 27.159 27.740 0.286 0.000 2.031 129 C HN 0.241 nan 8.230 nan 0.000 0.474 130 V N 0.897 120.839 119.914 0.046 0.000 2.295 130 V HA -0.217 3.905 4.120 0.002 0.000 0.246 130 V C 2.320 178.372 176.094 -0.069 0.000 1.049 130 V CA 1.889 64.101 62.300 -0.147 0.000 1.024 130 V CB -0.613 31.016 31.823 -0.323 0.000 0.648 130 V HN 0.550 nan 8.190 nan 0.000 0.447 131 L N -1.571 119.637 121.223 -0.026 0.000 2.056 131 L HA -0.199 4.142 4.340 0.002 0.000 0.207 131 L C 2.490 179.451 176.870 0.152 0.000 1.078 131 L CA 1.891 56.742 54.840 0.018 0.000 0.749 131 L CB -0.675 41.367 42.059 -0.029 0.000 0.901 131 L HN 0.365 nan 8.230 nan 0.000 0.433 132 Y N 0.640 120.996 120.300 0.094 0.000 2.163 132 Y HA -0.193 4.358 4.550 0.002 0.000 0.288 132 Y C 2.348 178.298 175.900 0.083 0.000 1.136 132 Y CA 1.384 59.559 58.100 0.125 0.000 1.147 132 Y CB -0.157 38.488 38.460 0.308 0.000 0.987 132 Y HN -0.018 nan 8.280 nan 0.000 0.509 133 L N -1.693 119.611 121.223 0.136 0.000 2.093 133 L HA -0.264 4.077 4.340 0.002 0.000 0.208 133 L C 2.475 179.352 176.870 0.010 0.000 1.085 133 L CA 1.188 56.010 54.840 -0.029 0.000 0.755 133 L CB -0.653 41.347 42.059 -0.098 0.000 0.904 133 L HN 0.416 nan 8.230 nan 0.000 0.435 134 W N -0.065 121.125 121.300 -0.185 0.000 2.381 134 W HA -0.157 4.504 4.660 0.002 0.000 0.301 134 W C 2.621 179.052 176.519 -0.147 0.000 1.205 134 W CA 0.756 58.019 57.345 -0.136 0.000 1.285 134 W CB -0.041 29.374 29.460 -0.075 0.000 1.133 134 W HN 0.189 nan 8.180 nan 0.000 0.521 135 A N 0.520 123.365 122.820 0.042 0.000 1.902 135 A HA -0.201 4.121 4.320 0.002 0.000 0.217 135 A C 1.979 179.425 177.584 -0.231 0.000 1.181 135 A CA 1.365 53.336 52.037 -0.110 0.000 0.623 135 A CB -1.116 17.779 19.000 -0.176 0.000 0.818 135 A HN 0.257 nan 8.150 nan 0.000 0.443 136 L N -1.054 119.978 121.223 -0.317 0.000 2.093 136 L HA -0.169 4.172 4.340 0.002 0.000 0.208 136 L C 2.590 179.346 176.870 -0.189 0.000 1.085 136 L CA 1.714 56.376 54.840 -0.296 0.000 0.755 136 L CB -0.309 41.527 42.059 -0.371 0.000 0.904 136 L HN 0.355 nan 8.230 nan 0.000 0.435 137 K N 0.963 121.228 120.400 -0.225 0.000 2.097 137 K HA -0.109 4.212 4.320 0.002 0.000 0.205 137 K C 1.795 178.272 176.600 -0.206 0.000 1.050 137 K CA 1.411 57.547 56.287 -0.251 0.000 0.938 137 K CB -0.208 32.045 32.500 -0.411 0.000 0.718 137 K HN 0.207 nan 8.250 nan 0.000 0.442 138 I N 0.088 120.555 120.570 -0.172 0.000 2.252 138 I HA -0.211 3.960 4.170 0.002 0.000 0.245 138 I C 2.039 178.051 176.117 -0.176 0.000 1.102 138 I CA 0.625 61.855 61.300 -0.118 0.000 1.385 138 I CB -0.251 37.737 38.000 -0.021 0.000 1.064 138 I HN 0.141 nan 8.210 nan 0.000 0.414 139 L N 0.133 121.180 121.223 -0.293 0.000 2.093 139 L HA -0.123 4.219 4.340 0.002 0.000 0.208 139 L C 0.476 176.955 176.870 -0.652 0.000 1.085 139 L CA 1.895 56.419 54.840 -0.526 0.000 0.755 139 L CB -0.329 41.269 42.059 -0.769 0.000 0.904 139 L HN 0.171 nan 8.230 nan 0.000 0.435 140 Y N -0.894 119.319 120.300 -0.145 0.000 2.553 140 Y HA 0.373 4.924 4.550 0.003 0.000 0.369 140 Y C -1.694 174.086 175.900 -0.199 0.000 0.964 140 Y CA -2.778 55.235 58.100 -0.145 0.000 1.156 140 Y CB -0.260 38.116 38.460 -0.140 0.000 1.218 140 Y HN 0.122 nan 8.280 nan 0.000 0.630 141 P HA -0.217 nan 4.420 nan 0.000 0.217 141 P C 1.112 178.305 177.300 -0.178 0.000 1.151 141 P CA 1.727 64.751 63.100 -0.126 0.000 0.849 141 P CB 0.426 32.085 31.700 -0.069 0.000 0.787 142 K N -1.718 118.623 120.400 -0.098 0.000 2.358 142 K HA 0.185 4.506 4.320 0.002 0.000 0.197 142 K C 1.270 177.819 176.600 -0.085 0.000 1.025 142 K CA 0.820 57.086 56.287 -0.035 0.000 1.104 142 K CB -0.495 32.056 32.500 0.085 0.000 0.855 142 K HN 0.296 nan 8.250 nan 0.000 0.531 143 T N -2.976 111.434 114.554 -0.239 0.000 2.986 143 T HA 0.287 4.638 4.350 0.002 0.000 0.264 143 T C 0.401 174.968 174.700 -0.221 0.000 0.964 143 T CA -0.380 61.649 62.100 -0.118 0.000 0.895 143 T CB 0.169 69.028 68.868 -0.016 0.000 1.163 143 T HN 0.021 nan 8.240 nan 0.000 0.517 144 L N 1.434 122.385 121.223 -0.453 0.000 2.333 144 L HA 0.767 5.109 4.340 0.002 0.000 0.280 144 L C -1.841 174.696 176.870 -0.557 0.000 1.004 144 L CA -1.144 53.568 54.840 -0.214 0.000 0.820 144 L CB 1.262 43.303 42.059 -0.030 0.000 1.247 144 L HN 0.058 nan 8.230 nan 0.000 0.416 145 F N 4.890 124.960 119.950 0.200 0.000 2.546 145 F HA 0.662 5.190 4.527 0.002 0.000 0.320 145 F C -0.580 175.338 175.800 0.196 0.000 1.076 145 F CA -0.628 57.453 58.000 0.135 0.000 0.928 145 F CB 1.927 40.995 39.000 0.113 0.000 1.189 145 F HN 0.184 nan 8.300 nan 0.000 0.465 146 L N 3.932 125.311 121.223 0.261 0.000 2.409 146 L HA 0.573 4.914 4.340 0.002 0.000 0.272 146 L C -0.904 176.104 176.870 0.229 0.000 0.980 146 L CA -0.527 54.454 54.840 0.235 0.000 0.826 146 L CB 1.975 43.973 42.059 -0.102 0.000 1.268 146 L HN 0.477 nan 8.230 nan 0.000 0.407 147 L N 1.955 123.351 121.223 0.289 0.000 2.358 147 L HA 0.590 4.931 4.340 0.002 0.000 0.268 147 L C 0.129 177.069 176.870 0.117 0.000 1.032 147 L CA -0.827 54.108 54.840 0.158 0.000 0.805 147 L CB 1.822 43.948 42.059 0.113 0.000 1.253 147 L HN 0.581 nan 8.230 nan 0.000 0.452 148 R N -0.167 120.342 120.500 0.013 0.000 2.357 148 R HA 0.491 4.833 4.340 0.002 0.000 0.296 148 R C -0.232 175.916 176.300 -0.254 0.000 1.052 148 R CA -0.144 55.905 56.100 -0.084 0.000 0.988 148 R CB 1.231 31.498 30.300 -0.056 0.000 1.025 148 R HN 0.802 nan 8.270 nan 0.000 0.469 149 G N 1.407 109.912 108.800 -0.492 0.000 2.537 149 G HA2 0.052 4.013 3.960 0.002 0.000 0.323 149 G HA3 0.052 4.013 3.960 0.002 0.000 0.323 149 G C 0.410 174.900 174.900 -0.683 0.000 1.207 149 G CA -0.742 43.794 45.100 -0.940 0.000 0.976 149 G HN 0.825 nan 8.290 nan 0.000 0.487 150 N N -0.701 117.524 118.700 -0.792 0.000 2.364 150 N HA -0.165 4.576 4.740 0.002 0.000 0.183 150 N C 1.086 176.337 175.510 -0.431 0.000 1.022 150 N CA 1.152 53.787 53.050 -0.692 0.000 0.883 150 N CB -0.319 37.255 38.487 -1.522 0.000 0.965 150 N HN 0.624 nan 8.380 nan 0.000 0.438 151 H N 0.170 119.018 119.070 -0.370 0.000 2.529 151 H HA 0.115 4.672 4.556 0.002 0.000 0.277 151 H C 0.101 175.348 175.328 -0.135 0.000 0.999 151 H CA 0.421 56.372 56.048 -0.161 0.000 1.256 151 H CB 0.358 30.022 29.762 -0.164 0.000 1.402 151 H HN 0.289 nan 8.280 nan 0.000 0.566 152 E N 1.339 121.405 120.200 -0.223 0.000 2.467 152 E HA 0.080 4.431 4.350 0.002 0.000 0.321 152 E C -0.245 176.428 176.600 0.123 0.000 1.388 152 E CA -0.191 55.983 56.400 -0.376 0.000 1.508 152 E CB -0.464 28.806 29.700 -0.716 0.000 1.250 152 E HN 0.373 nan 8.360 nan 0.000 0.500 153 C N -2.510 116.969 119.300 0.298 0.000 3.321 153 C HA 0.487 4.948 4.460 0.002 0.000 0.329 153 C C 1.368 176.583 174.990 0.376 0.000 1.394 153 C CA -1.056 58.159 59.018 0.328 0.000 1.291 153 C CB 1.620 29.522 27.740 0.270 0.000 1.606 153 C HN 0.472 nan 8.230 nan 0.000 0.463 154 R N -0.342 120.353 120.500 0.325 0.000 2.062 154 R HA -0.071 4.270 4.340 0.002 0.000 0.229 154 R C 2.109 178.656 176.300 0.411 0.000 1.128 154 R CA 2.135 58.452 56.100 0.362 0.000 0.960 154 R CB -0.725 29.739 30.300 0.274 0.000 0.855 154 R HN 0.920 nan 8.270 nan 0.000 0.432 155 H N 0.707 119.936 119.070 0.265 0.000 2.319 155 H HA -0.131 4.427 4.556 0.002 0.000 0.297 155 H C 1.621 177.134 175.328 0.309 0.000 1.097 155 H CA 1.752 57.945 56.048 0.242 0.000 1.285 155 H CB -0.011 29.867 29.762 0.193 0.000 1.368 155 H HN 0.008 nan 8.280 nan 0.000 0.495 156 L N -0.277 121.146 121.223 0.334 0.000 2.162 156 L HA -0.036 4.305 4.340 0.002 0.000 0.205 156 L C 2.709 179.930 176.870 0.584 0.000 1.086 156 L CA 1.764 56.859 54.840 0.426 0.000 0.778 156 L CB -0.858 41.415 42.059 0.356 0.000 0.928 156 L HN 0.545 nan 8.230 nan 0.000 0.446 157 T N -3.591 111.292 114.554 0.548 0.000 3.007 157 T HA -0.179 4.172 4.350 0.002 0.000 0.270 157 T C 1.635 176.596 174.700 0.435 0.000 1.107 157 T CA 1.189 63.662 62.100 0.622 0.000 1.118 157 T CB -0.197 69.192 68.868 0.867 0.000 0.889 157 T HN 0.436 nan 8.240 nan 0.000 0.506 158 E N -0.263 120.140 120.200 0.338 0.000 2.076 158 E HA -0.111 4.241 4.350 0.002 0.000 0.190 158 E C 1.923 178.578 176.600 0.092 0.000 0.979 158 E CA 0.483 56.980 56.400 0.161 0.000 0.807 158 E CB -0.236 29.567 29.700 0.171 0.000 0.761 158 E HN 0.633 nan 8.360 nan 0.000 0.454 159 Y N -0.065 120.207 120.300 -0.047 0.000 2.263 159 Y HA -0.052 4.499 4.550 0.002 0.000 0.292 159 Y C 0.813 176.543 175.900 -0.282 0.000 1.130 159 Y CA 1.093 59.050 58.100 -0.238 0.000 1.179 159 Y CB -0.061 38.128 38.460 -0.452 0.000 0.998 159 Y HN -0.021 nan 8.280 nan 0.000 0.532 160 F N -0.493 119.495 119.950 0.064 0.000 2.373 160 F HA 0.065 4.593 4.527 0.002 0.000 0.208 160 F C 2.419 178.223 175.800 0.007 0.000 1.020 160 F CA 1.456 59.464 58.000 0.013 0.000 1.010 160 F CB -0.908 38.218 39.000 0.209 0.000 1.904 160 F HN -0.110 nan 8.300 nan 0.000 0.685 161 T N -3.547 111.212 114.554 0.342 0.000 2.958 161 T HA 0.047 4.398 4.350 0.002 0.000 0.256 161 T C 1.596 176.476 174.700 0.299 0.000 0.983 161 T CA -0.003 62.251 62.100 0.256 0.000 0.924 161 T CB -0.716 68.272 68.868 0.199 0.000 1.136 161 T HN 0.163 nan 8.240 nan 0.000 0.506 162 F N 2.930 122.990 119.950 0.184 0.000 2.126 162 F HA 0.138 4.666 4.527 0.002 0.000 0.299 162 F C 2.180 178.029 175.800 0.082 0.000 1.096 162 F CA 1.428 59.523 58.000 0.158 0.000 1.255 162 F CB -0.204 38.961 39.000 0.276 0.000 0.997 162 F HN 0.134 nan 8.300 nan 0.000 0.479 163 K N -0.225 120.119 120.400 -0.093 0.000 2.057 163 K HA -0.277 4.045 4.320 0.002 0.000 0.207 163 K C 2.237 178.538 176.600 -0.497 0.000 1.049 163 K CA 1.698 57.577 56.287 -0.679 0.000 0.931 163 K CB -0.316 31.689 32.500 -0.825 0.000 0.714 163 K HN 0.280 nan 8.250 nan 0.000 0.440 164 Q N 1.148 120.795 119.800 -0.255 0.000 2.119 164 Q HA -0.179 4.162 4.340 0.002 0.000 0.201 164 Q C 1.756 177.557 176.000 -0.332 0.000 0.972 164 Q CA 1.888 57.581 55.803 -0.183 0.000 0.847 164 Q CB -0.016 28.722 28.738 0.001 0.000 0.903 164 Q HN 0.444 nan 8.270 nan 0.000 0.433 165 E N -1.108 118.799 120.200 -0.488 0.000 2.051 165 E HA -0.198 4.153 4.350 0.002 0.000 0.192 165 E C 1.771 177.957 176.600 -0.689 0.000 0.991 165 E CA 1.468 57.214 56.400 -1.089 0.000 0.799 165 E CB -0.158 29.036 29.700 -0.843 0.000 0.748 165 E HN 0.519 nan 8.360 nan 0.000 0.449 166 C N 1.012 119.987 119.300 -0.541 0.000 2.432 166 C HA -0.076 4.385 4.460 0.002 0.000 0.277 166 C C 2.501 177.360 174.990 -0.219 0.000 1.249 166 C CA 0.853 59.665 59.018 -0.342 0.000 1.725 166 C CB -0.749 26.754 27.740 -0.395 0.000 2.028 166 C HN 0.442 nan 8.230 nan 0.000 0.477 167 K N 0.473 120.718 120.400 -0.259 0.000 2.152 167 K HA -0.111 4.210 4.320 0.002 0.000 0.206 167 K C 1.710 178.223 176.600 -0.145 0.000 1.048 167 K CA 1.146 57.330 56.287 -0.172 0.000 0.933 167 K CB -0.134 32.263 32.500 -0.173 0.000 0.721 167 K HN 0.457 nan 8.250 nan 0.000 0.447 168 I N 0.989 121.435 120.570 -0.207 0.000 2.585 168 I HA -0.120 4.051 4.170 0.002 0.000 0.254 168 I C 1.784 177.806 176.117 -0.159 0.000 1.129 168 I CA 1.296 62.508 61.300 -0.148 0.000 1.455 168 I CB -0.545 37.373 38.000 -0.138 0.000 1.111 168 I HN 0.090 nan 8.210 nan 0.000 0.433 169 K N -0.746 119.495 120.400 -0.264 0.000 2.166 169 K HA 0.005 4.326 4.320 0.002 0.000 0.201 169 K C 0.901 177.142 176.600 -0.599 0.000 1.052 169 K CA 1.006 57.079 56.287 -0.356 0.000 0.969 169 K CB 0.314 32.611 32.500 -0.338 0.000 0.761 169 K HN 0.159 nan 8.250 nan 0.000 0.459 170 Y N -0.480 119.748 120.300 -0.121 0.000 2.443 170 Y HA 0.183 4.734 4.550 0.002 0.000 0.140 170 Y C 0.444 176.292 175.900 -0.087 0.000 1.476 170 Y CA -0.581 57.466 58.100 -0.089 0.000 1.595 170 Y CB 0.388 38.789 38.460 -0.099 0.000 1.111 170 Y HN -0.120 nan 8.280 nan 0.000 0.340 171 S N -1.069 114.700 115.700 0.115 0.000 2.625 171 S HA 0.247 4.719 4.470 0.002 0.000 0.271 171 S C 0.155 174.754 174.600 -0.001 0.000 1.161 171 S CA -0.586 57.629 58.200 0.025 0.000 0.820 171 S CB 1.709 64.929 63.200 0.034 0.000 1.137 171 S HN 0.543 nan 8.310 nan 0.000 0.470 172 E N 0.400 120.592 120.200 -0.013 0.000 2.265 172 E HA -0.145 4.207 4.350 0.002 0.000 0.196 172 E C 1.988 178.621 176.600 0.054 0.000 0.996 172 E CA 0.744 57.150 56.400 0.011 0.000 0.832 172 E CB -0.060 29.639 29.700 -0.002 0.000 0.756 172 E HN 0.617 nan 8.360 nan 0.000 0.491 173 R N -0.064 120.449 120.500 0.022 0.000 2.096 173 R HA -0.129 4.212 4.340 0.002 0.000 0.235 173 R C 2.139 178.424 176.300 -0.024 0.000 1.127 173 R CA 1.338 57.441 56.100 0.006 0.000 0.968 173 R CB -0.036 30.266 30.300 0.003 0.000 0.861 173 R HN 0.097 nan 8.270 nan 0.000 0.440 174 V N 0.160 120.053 119.914 -0.036 0.000 2.427 174 V HA -0.231 3.890 4.120 0.002 0.000 0.248 174 V C 1.882 177.899 176.094 -0.128 0.000 1.051 174 V CA 1.669 63.904 62.300 -0.110 0.000 1.048 174 V CB -0.641 31.089 31.823 -0.155 0.000 0.666 174 V HN 0.401 nan 8.190 nan 0.000 0.456 175 Y N 1.558 121.726 120.300 -0.220 0.000 2.145 175 Y HA -0.244 4.307 4.550 0.002 0.000 0.286 175 Y C 2.370 178.173 175.900 -0.160 0.000 1.145 175 Y CA 2.023 59.971 58.100 -0.253 0.000 1.148 175 Y CB -0.380 37.934 38.460 -0.243 0.000 0.981 175 Y HN 0.330 nan 8.280 nan 0.000 0.507 176 D N 0.183 120.519 120.400 -0.107 0.000 2.117 176 D HA -0.187 4.455 4.640 0.002 0.000 0.197 176 D C 2.286 178.464 176.300 -0.204 0.000 0.987 176 D CA 1.522 55.427 54.000 -0.158 0.000 0.829 176 D CB -0.599 40.187 40.800 -0.024 0.000 0.961 176 D HN 0.496 nan 8.370 nan 0.000 0.460 177 A N 0.382 123.098 122.820 -0.173 0.000 1.933 177 A HA -0.171 4.150 4.320 0.002 0.000 0.218 177 A C 2.543 179.966 177.584 -0.268 0.000 1.175 177 A CA 1.156 53.093 52.037 -0.166 0.000 0.628 177 A CB -0.850 18.069 19.000 -0.135 0.000 0.814 177 A HN 0.332 nan 8.150 nan 0.000 0.444 178 C N -1.027 118.030 119.300 -0.406 0.000 2.446 178 C HA -0.073 4.389 4.460 0.002 0.000 0.277 178 C C 2.849 177.290 174.990 -0.914 0.000 1.275 178 C CA 1.165 59.761 59.018 -0.703 0.000 1.727 178 C CB -0.943 26.423 27.740 -0.623 0.000 2.010 178 C HN 0.571 nan 8.230 nan 0.000 0.486 179 M N 0.757 119.961 119.600 -0.660 0.000 2.149 179 M HA -0.116 4.365 4.480 0.002 0.000 0.261 179 M C 1.681 177.878 176.300 -0.172 0.000 1.064 179 M CA 1.639 56.685 55.300 -0.424 0.000 1.102 179 M CB -1.445 30.931 32.600 -0.373 0.000 1.369 179 M HN 0.400 nan 8.290 nan 0.000 0.408 180 D N 0.201 120.515 120.400 -0.143 0.000 2.149 180 D HA -0.009 4.632 4.640 0.002 0.000 0.201 180 D C 1.998 178.342 176.300 0.073 0.000 0.972 180 D CA 1.407 55.404 54.000 -0.006 0.000 0.835 180 D CB -0.034 40.761 40.800 -0.009 0.000 0.966 180 D HN 0.305 nan 8.370 nan 0.000 0.476 181 A N 0.920 123.753 122.820 0.021 0.000 1.877 181 A HA -0.162 4.159 4.320 0.002 0.000 0.216 181 A C 1.931 179.774 177.584 0.431 0.000 1.186 181 A CA 0.907 53.085 52.037 0.236 0.000 0.620 181 A CB -0.842 18.306 19.000 0.246 0.000 0.822 181 A HN 0.084 nan 8.150 nan 0.000 0.443 182 F N 1.000 121.068 119.950 0.196 0.000 2.202 182 F HA -0.141 4.387 4.527 0.002 0.000 0.301 182 F C 1.902 177.781 175.800 0.132 0.000 1.082 182 F CA 1.033 59.144 58.000 0.184 0.000 1.313 182 F CB -1.130 37.934 39.000 0.107 0.000 1.024 182 F HN 0.253 nan 8.300 nan 0.000 0.495 183 D N -0.772 119.810 120.400 0.304 0.000 2.218 183 D HA -0.141 4.500 4.640 0.002 0.000 0.204 183 D C 2.256 178.643 176.300 0.145 0.000 0.976 183 D CA 1.010 55.131 54.000 0.202 0.000 0.853 183 D CB -0.502 40.425 40.800 0.212 0.000 0.939 183 D HN 0.253 nan 8.370 nan 0.000 0.481 184 C N 0.225 119.672 119.300 0.245 0.000 2.514 184 C HA 0.150 4.611 4.460 0.002 0.000 0.271 184 C C 1.240 176.267 174.990 0.063 0.000 1.399 184 C CA -0.720 58.440 59.018 0.237 0.000 1.765 184 C CB -0.851 27.099 27.740 0.351 0.000 1.893 184 C HN 0.236 nan 8.230 nan 0.000 0.531 185 L N 2.443 123.731 121.223 0.109 0.000 2.601 185 L HA 0.071 4.412 4.340 0.002 0.000 0.277 185 L C -2.091 174.765 176.870 -0.024 0.000 1.219 185 L CA -0.707 54.176 54.840 0.072 0.000 0.915 185 L CB -0.029 42.111 42.059 0.136 0.000 1.160 185 L HN -0.029 nan 8.230 nan 0.000 0.494 186 P HA 0.016 nan 4.420 nan 0.000 0.269 186 P C 0.476 177.764 177.300 -0.021 0.000 1.215 186 P CA -0.084 63.002 63.100 -0.024 0.000 0.780 186 P CB 0.609 32.327 31.700 0.030 0.000 0.898 187 L N 0.349 121.549 121.223 -0.039 0.000 2.416 187 L HA 0.334 4.676 4.340 0.002 0.000 0.216 187 L C 1.009 177.874 176.870 -0.008 0.000 1.098 187 L CA 0.537 55.361 54.840 -0.028 0.000 0.840 187 L CB -0.168 41.868 42.059 -0.039 0.000 0.981 187 L HN 0.439 nan 8.230 nan 0.000 0.462 188 A N -0.473 122.346 122.820 -0.002 0.000 2.511 188 A HA 0.835 5.156 4.320 0.002 0.000 0.293 188 A C -1.849 175.733 177.584 -0.003 0.000 1.098 188 A CA 0.046 52.085 52.037 0.003 0.000 0.643 188 A CB 1.033 20.034 19.000 0.000 0.000 1.302 188 A HN -0.044 nan 8.150 nan 0.000 0.446 189 A N -0.491 122.327 122.820 -0.004 0.000 2.517 189 A HA 0.645 4.967 4.320 0.002 0.000 0.297 189 A C -1.767 175.812 177.584 -0.008 0.000 1.050 189 A CA -0.389 51.629 52.037 -0.031 0.000 0.694 189 A CB 1.276 20.240 19.000 -0.060 0.000 1.277 189 A HN 1.997 nan 8.150 nan 0.000 0.400 190 L N 3.311 124.521 121.223 -0.021 0.000 2.255 190 L HA 0.598 4.939 4.340 0.002 0.000 0.289 190 L C -0.133 176.734 176.870 -0.006 0.000 1.046 190 L CA -0.152 54.688 54.840 -0.001 0.000 0.816 190 L CB 0.854 42.905 42.059 -0.014 0.000 1.197 190 L HN 0.781 nan 8.230 nan 0.000 0.427 191 M N 5.089 124.719 119.600 0.050 0.000 2.205 191 M HA 0.240 4.721 4.480 0.002 0.000 0.344 191 M C 0.478 176.846 176.300 0.113 0.000 1.085 191 M CA -0.030 55.315 55.300 0.074 0.000 1.001 191 M CB 0.809 33.464 32.600 0.091 0.000 1.626 191 M HN 0.835 nan 8.290 nan 0.000 0.442 192 N N 3.192 121.946 118.700 0.091 0.000 2.708 192 N HA -0.246 4.495 4.740 0.002 0.000 0.251 192 N C -0.328 175.179 175.510 -0.005 0.000 1.123 192 N CA 1.696 54.804 53.050 0.096 0.000 0.739 192 N CB -0.922 37.718 38.487 0.255 0.000 1.113 192 N HN 0.897 nan 8.380 nan 0.000 0.561 193 Q N -3.180 116.599 119.800 -0.034 0.000 2.439 193 Q HA -0.347 3.994 4.340 0.002 0.000 0.247 193 Q C 0.346 176.251 176.000 -0.158 0.000 0.899 193 Q CA 1.746 57.502 55.803 -0.078 0.000 1.201 193 Q CB -1.151 27.546 28.738 -0.067 0.000 1.608 193 Q HN 0.818 nan 8.270 nan 0.000 0.563 194 Q N -1.614 118.033 119.800 -0.254 0.000 2.215 194 Q HA 0.226 4.567 4.340 0.002 0.000 0.257 194 Q C -0.624 174.956 176.000 -0.700 0.000 0.792 194 Q CA 0.075 55.554 55.803 -0.539 0.000 0.958 194 Q CB 0.974 29.221 28.738 -0.819 0.000 1.158 194 Q HN 0.159 nan 8.270 nan 0.000 0.490 195 F N 1.029 120.912 119.950 -0.112 0.000 2.482 195 F HA 0.400 4.928 4.527 0.002 0.000 0.331 195 F C -0.545 175.231 175.800 -0.040 0.000 1.115 195 F CA -1.355 56.592 58.000 -0.088 0.000 0.955 195 F CB 1.424 40.333 39.000 -0.152 0.000 1.136 195 F HN -0.117 nan 8.300 nan 0.000 0.452 196 L N 4.387 125.722 121.223 0.186 0.000 2.257 196 L HA 0.583 4.924 4.340 0.002 0.000 0.290 196 L C -1.027 175.890 176.870 0.079 0.000 1.044 196 L CA -0.394 54.516 54.840 0.116 0.000 0.810 196 L CB 0.200 42.336 42.059 0.127 0.000 1.193 196 L HN 0.694 nan 8.230 nan 0.000 0.425 197 C N 5.654 124.983 119.300 0.048 0.000 2.322 197 C HA 0.864 5.326 4.460 0.002 0.000 0.324 197 C C 0.046 175.040 174.990 0.008 0.000 1.284 197 C CA -0.763 58.267 59.018 0.020 0.000 1.606 197 C CB 0.401 28.149 27.740 0.014 0.000 2.251 197 C HN 0.778 nan 8.230 nan 0.000 0.502 198 V N 0.416 120.328 119.914 -0.004 0.000 3.188 198 V HA 0.505 4.626 4.120 0.002 0.000 0.305 198 V C 0.495 176.593 176.094 0.006 0.000 1.232 198 V CA -0.520 61.779 62.300 -0.001 0.000 1.043 198 V CB 1.396 33.199 31.823 -0.034 0.000 1.068 198 V HN 0.813 nan 8.190 nan 0.000 0.439 199 H N 1.999 121.015 119.070 -0.090 0.000 2.307 199 H HA 0.229 4.786 4.556 0.002 0.000 0.303 199 H C 1.699 176.950 175.328 -0.129 0.000 1.073 199 H CA 2.907 58.878 56.048 -0.129 0.000 1.338 199 H CB -0.040 29.586 29.762 -0.228 0.000 1.389 199 H HN 0.941 nan 8.280 nan 0.000 0.503 200 G N -1.800 106.879 108.800 -0.202 0.000 2.688 200 G HA2 0.439 4.401 3.960 0.002 0.000 0.214 200 G HA3 0.439 4.401 3.960 0.002 0.000 0.214 200 G C 0.583 175.547 174.900 0.107 0.000 1.211 200 G CA 0.482 45.477 45.100 -0.176 0.000 0.853 200 G HN 0.803 nan 8.290 nan 0.000 0.591 201 G N -1.130 107.732 108.800 0.103 0.000 2.498 201 G HA2 0.359 4.320 3.960 0.002 0.000 0.181 201 G HA3 0.359 4.320 3.960 0.002 0.000 0.181 201 G C -1.138 173.657 174.900 -0.173 0.000 1.169 201 G CA -0.605 44.498 45.100 0.005 0.000 0.992 201 G HN 0.345 nan 8.290 nan 0.000 0.490 202 L N 0.256 121.240 121.223 -0.398 0.000 2.448 202 L HA 0.770 5.111 4.340 0.002 0.000 0.258 202 L C 0.487 177.370 176.870 0.022 0.000 1.104 202 L CA -0.696 53.987 54.840 -0.262 0.000 0.800 202 L CB 1.641 43.491 42.059 -0.348 0.000 1.241 202 L HN 0.576 nan 8.230 nan 0.000 0.472 203 S N -0.634 114.965 115.700 -0.169 0.000 2.540 203 S HA 0.455 4.926 4.470 0.002 0.000 0.275 203 S C -2.191 171.871 174.600 -0.896 0.000 1.123 203 S CA -1.286 56.658 58.200 -0.427 0.000 0.907 203 S CB 1.940 65.028 63.200 -0.187 0.000 1.081 203 S HN 0.384 nan 8.310 nan 0.000 0.476 204 P HA -0.014 nan 4.420 nan 0.000 0.225 204 P C 0.295 177.328 177.300 -0.445 0.000 1.148 204 P CA 0.927 63.309 63.100 -1.197 0.000 0.779 204 P CB 0.093 31.115 31.700 -1.130 0.000 0.780 205 E N -0.519 119.483 120.200 -0.329 0.000 2.444 205 E HA 0.213 4.564 4.350 0.002 0.000 0.191 205 E C 0.374 176.934 176.600 -0.068 0.000 1.041 205 E CA -0.112 56.203 56.400 -0.141 0.000 0.883 205 E CB 0.112 29.757 29.700 -0.091 0.000 1.024 205 E HN 0.333 nan 8.360 nan 0.000 0.470 206 I N 1.394 121.929 120.570 -0.058 0.000 2.495 206 I HA 0.154 4.325 4.170 0.002 0.000 0.277 206 I C -0.049 176.225 176.117 0.261 0.000 1.045 206 I CA -0.321 61.021 61.300 0.069 0.000 1.135 206 I CB 1.164 39.176 38.000 0.020 0.000 1.241 206 I HN -0.065 nan 8.210 nan 0.000 0.469 207 N N 2.127 120.963 118.700 0.227 0.000 2.409 207 N HA 0.024 4.765 4.740 0.002 0.000 0.174 207 N C 0.475 176.086 175.510 0.169 0.000 1.037 207 N CA 0.491 53.681 53.050 0.234 0.000 0.898 207 N CB 0.524 39.050 38.487 0.064 0.000 1.010 207 N HN 0.650 nan 8.380 nan 0.000 0.445 208 T N -3.433 111.219 114.554 0.163 0.000 2.865 208 T HA 0.400 4.752 4.350 0.002 0.000 0.294 208 T C 0.781 175.546 174.700 0.109 0.000 1.119 208 T CA -0.773 61.336 62.100 0.015 0.000 1.007 208 T CB 0.891 69.765 68.868 0.011 0.000 1.225 208 T HN -0.148 nan 8.240 nan 0.000 0.515 209 L N 0.087 121.334 121.223 0.040 0.000 2.201 209 L HA 0.034 4.375 4.340 0.002 0.000 0.212 209 L C 2.218 179.121 176.870 0.055 0.000 1.105 209 L CA 1.381 56.274 54.840 0.087 0.000 0.775 209 L CB -0.598 41.481 42.059 0.033 0.000 0.913 209 L HN 0.787 nan 8.230 nan 0.000 0.440 210 D N 0.097 120.515 120.400 0.029 0.000 2.219 210 D HA -0.180 4.461 4.640 0.002 0.000 0.205 210 D C 1.699 178.021 176.300 0.036 0.000 0.970 210 D CA 0.791 54.805 54.000 0.023 0.000 0.851 210 D CB 0.161 40.966 40.800 0.009 0.000 0.943 210 D HN 0.202 nan 8.370 nan 0.000 0.488 211 D N -0.349 120.083 120.400 0.054 0.000 2.264 211 D HA -0.084 4.557 4.640 0.002 0.000 0.208 211 D C 2.015 178.340 176.300 0.041 0.000 0.966 211 D CA 0.523 54.553 54.000 0.050 0.000 0.864 211 D CB 0.109 40.950 40.800 0.069 0.000 0.933 211 D HN 0.412 nan 8.370 nan 0.000 0.499 212 I N 0.609 121.209 120.570 0.050 0.000 2.406 212 I HA -0.127 4.044 4.170 0.002 0.000 0.249 212 I C 2.364 178.494 176.117 0.022 0.000 1.122 212 I CA 0.547 61.866 61.300 0.033 0.000 1.431 212 I CB -0.029 37.995 38.000 0.040 0.000 1.087 212 I HN -0.154 nan 8.210 nan 0.000 0.424 213 R N 1.222 121.738 120.500 0.027 0.000 2.148 213 R HA -0.120 4.221 4.340 0.002 0.000 0.227 213 R C 1.963 178.281 176.300 0.030 0.000 1.103 213 R CA 0.970 57.086 56.100 0.026 0.000 0.983 213 R CB -0.279 30.035 30.300 0.024 0.000 0.874 213 R HN 0.365 nan 8.270 nan 0.000 0.451 214 K N 0.608 121.024 120.400 0.027 0.000 2.439 214 K HA 0.039 4.360 4.320 0.002 0.000 0.197 214 K C 0.557 177.173 176.600 0.027 0.000 1.041 214 K CA 0.383 56.686 56.287 0.027 0.000 0.970 214 K CB 0.001 32.514 32.500 0.022 0.000 0.773 214 K HN 0.112 nan 8.250 nan 0.000 0.479 215 L N 1.343 122.578 121.223 0.021 0.000 2.436 215 L HA 0.075 4.416 4.340 0.002 0.000 0.265 215 L C 0.132 177.019 176.870 0.029 0.000 1.168 215 L CA -0.456 54.392 54.840 0.014 0.000 0.815 215 L CB 0.283 42.340 42.059 -0.004 0.000 1.109 215 L HN -0.018 nan 8.230 nan 0.000 0.462 216 D N 0.705 121.126 120.400 0.034 0.000 2.467 216 D HA 0.152 4.793 4.640 0.002 0.000 0.220 216 D C 0.994 177.308 176.300 0.023 0.000 1.103 216 D CA -0.558 53.491 54.000 0.081 0.000 0.886 216 D CB 0.743 41.600 40.800 0.096 0.000 1.025 216 D HN 0.464 nan 8.370 nan 0.000 0.514 217 R N 2.547 122.987 120.500 -0.100 0.000 2.240 217 R HA 0.071 4.412 4.340 0.002 0.000 0.203 217 R C 0.084 176.220 176.300 -0.273 0.000 1.011 217 R CA 0.214 56.169 56.100 -0.241 0.000 1.007 217 R CB -0.248 29.820 30.300 -0.386 0.000 0.911 217 R HN 0.208 nan 8.270 nan 0.000 0.468 218 F N 3.809 123.790 119.950 0.052 0.000 2.679 218 F HA 0.227 4.756 4.527 0.002 0.000 0.351 218 F C 0.124 175.957 175.800 0.055 0.000 1.279 218 F CA 0.127 58.162 58.000 0.058 0.000 1.227 218 F CB -0.113 38.916 39.000 0.048 0.000 1.623 218 F HN 0.150 nan 8.300 nan 0.000 0.666 219 K N -0.976 119.511 120.400 0.144 0.000 2.842 219 K HA 0.348 4.669 4.320 0.002 0.000 0.293 219 K C -1.445 175.216 176.600 0.102 0.000 1.068 219 K CA -1.294 55.065 56.287 0.120 0.000 0.827 219 K CB 0.700 33.257 32.500 0.096 0.000 1.524 219 K HN -0.031 nan 8.250 nan 0.000 0.368 220 E N 1.456 121.716 120.200 0.101 0.000 2.360 220 E HA 0.241 4.593 4.350 0.002 0.000 0.269 220 E C -2.341 174.316 176.600 0.096 0.000 1.022 220 E CA -1.635 54.833 56.400 0.114 0.000 0.887 220 E CB 0.717 30.483 29.700 0.111 0.000 0.990 220 E HN 0.294 nan 8.360 nan 0.000 0.426 221 P HA 0.097 nan 4.420 nan 0.000 0.263 221 P C -2.414 174.933 177.300 0.078 0.000 1.195 221 P CA -0.658 62.511 63.100 0.115 0.000 0.762 221 P CB 0.268 32.087 31.700 0.198 0.000 0.799 222 P HA 0.049 nan 4.420 nan 0.000 0.271 222 P C 0.437 177.727 177.300 -0.016 0.000 1.233 222 P CA -0.099 62.986 63.100 -0.025 0.000 0.789 222 P CB 0.502 32.132 31.700 -0.117 0.000 0.951 223 A N 0.781 123.612 122.820 0.018 0.000 2.206 223 A HA 0.121 4.442 4.320 0.002 0.000 0.211 223 A C 0.048 177.706 177.584 0.123 0.000 1.158 223 A CA 1.106 53.147 52.037 0.007 0.000 0.761 223 A CB -1.055 17.948 19.000 0.005 0.000 0.801 223 A HN 0.625 nan 8.150 nan 0.000 0.473 224 Y N -5.292 114.957 120.300 -0.085 0.000 2.702 224 Y HA 0.542 5.093 4.550 0.002 0.000 0.336 224 Y C -0.091 175.816 175.900 0.012 0.000 1.203 224 Y CA -1.366 56.706 58.100 -0.046 0.000 1.072 224 Y CB 0.121 38.551 38.460 -0.049 0.000 1.327 224 Y HN 1.206 nan 8.280 nan 0.000 0.456 225 G N 0.648 109.449 108.800 0.001 0.000 2.462 225 G HA2 0.059 4.020 3.960 0.002 0.000 0.685 225 G HA3 0.059 4.020 3.960 0.002 0.000 0.685 225 G C -2.754 172.146 174.900 -0.001 0.000 1.295 225 G CA -0.451 44.595 45.100 -0.090 0.000 0.941 225 G HN 0.622 nan 8.290 nan 0.000 0.554 226 P HA -0.186 nan 4.420 nan 0.000 0.213 226 P C 2.258 179.565 177.300 0.012 0.000 1.176 226 P CA 2.450 65.542 63.100 -0.012 0.000 0.919 226 P CB -0.042 31.643 31.700 -0.025 0.000 0.791 227 M N -0.962 118.639 119.600 0.002 0.000 2.082 227 M HA -0.239 4.242 4.480 0.002 0.000 0.258 227 M C 2.289 178.637 176.300 0.081 0.000 1.069 227 M CA 2.028 57.341 55.300 0.022 0.000 1.102 227 M CB -0.949 31.654 32.600 0.005 0.000 1.336 227 M HN 0.058 nan 8.290 nan 0.000 0.404 228 C N 1.212 120.568 119.300 0.093 0.000 2.413 228 C HA -0.193 4.268 4.460 0.002 0.000 0.276 228 C C 2.161 177.314 174.990 0.272 0.000 1.236 228 C CA 1.848 60.980 59.018 0.190 0.000 1.735 228 C CB -1.291 26.498 27.740 0.081 0.000 2.031 228 C HN 0.626 nan 8.230 nan 0.000 0.474 229 D N 0.645 121.163 120.400 0.196 0.000 2.144 229 D HA -0.083 4.558 4.640 0.002 0.000 0.199 229 D C 2.025 178.436 176.300 0.185 0.000 0.984 229 D CA 1.444 55.584 54.000 0.234 0.000 0.834 229 D CB -0.484 40.436 40.800 0.200 0.000 0.955 229 D HN 0.586 nan 8.370 nan 0.000 0.465 230 I N 0.498 121.130 120.570 0.103 0.000 2.361 230 I HA -0.215 3.956 4.170 0.002 0.000 0.251 230 I C 2.152 178.290 176.117 0.034 0.000 1.133 230 I CA 0.789 62.115 61.300 0.044 0.000 1.413 230 I CB -0.044 37.963 38.000 0.010 0.000 1.073 230 I HN -0.029 nan 8.210 nan 0.000 0.424 231 L N -1.949 119.312 121.223 0.063 0.000 2.375 231 L HA -0.041 4.300 4.340 0.002 0.000 0.215 231 L C 1.586 178.288 176.870 -0.280 0.000 1.108 231 L CA 0.663 55.457 54.840 -0.076 0.000 0.830 231 L CB -0.166 41.852 42.059 -0.067 0.000 0.959 231 L HN 0.319 nan 8.230 nan 0.000 0.457 232 W N -0.864 120.393 121.300 -0.071 0.000 2.835 232 W HA 0.149 4.811 4.660 0.002 0.000 0.278 232 W C 1.535 178.150 176.519 0.159 0.000 1.075 232 W CA -0.157 57.195 57.345 0.011 0.000 1.439 232 W CB 0.185 29.701 29.460 0.094 0.000 0.927 232 W HN -0.103 nan 8.180 nan 0.000 0.604 233 S N 1.318 117.240 115.700 0.370 0.000 2.576 233 S HA 0.237 4.709 4.470 0.002 0.000 0.272 233 S C -0.225 174.552 174.600 0.295 0.000 1.352 233 S CA -0.076 58.345 58.200 0.368 0.000 1.021 233 S CB 1.161 64.700 63.200 0.564 0.000 0.887 233 S HN 0.010 nan 8.310 nan 0.000 0.542 234 D N 1.282 121.665 120.400 -0.028 0.000 2.547 234 D HA 0.529 5.170 4.640 0.002 0.000 0.231 234 D C -2.809 173.019 176.300 -0.786 0.000 1.099 234 D CA -1.416 52.451 54.000 -0.222 0.000 0.901 234 D CB 2.045 42.865 40.800 0.032 0.000 1.478 234 D HN 0.366 nan 8.370 nan 0.000 0.471 235 P HA 0.219 nan 4.420 nan 0.000 0.276 235 P C 0.164 177.374 177.300 -0.150 0.000 1.244 235 P CA -0.461 62.209 63.100 -0.715 0.000 0.801 235 P CB 1.247 32.419 31.700 -0.879 0.000 1.006 236 L N 1.389 122.628 121.223 0.025 0.000 2.499 236 L HA -0.043 4.298 4.340 0.002 0.000 0.281 236 L C 2.356 179.168 176.870 -0.096 0.000 1.234 236 L CA 0.363 55.133 54.840 -0.117 0.000 0.839 236 L CB -0.087 41.944 42.059 -0.047 0.000 1.104 236 L HN 0.575 nan 8.230 nan 0.000 0.500 237 E N 0.840 120.884 120.200 -0.260 0.000 2.118 237 E HA -0.212 4.139 4.350 0.002 0.000 0.195 237 E C 0.205 176.786 176.600 -0.032 0.000 0.992 237 E CA 1.454 57.771 56.400 -0.138 0.000 0.804 237 E CB 0.246 29.831 29.700 -0.193 0.000 0.741 237 E HN 0.626 nan 8.360 nan 0.000 0.458 238 D N 0.312 120.689 120.400 -0.039 0.000 2.587 238 D HA 0.011 4.652 4.640 0.002 0.000 0.233 238 D C -0.470 175.860 176.300 0.051 0.000 1.213 238 D CA -0.253 53.745 54.000 -0.003 0.000 0.827 238 D CB -0.490 40.283 40.800 -0.046 0.000 1.006 238 D HN 0.120 nan 8.370 nan 0.000 0.490 239 F N 1.555 121.487 119.950 -0.030 0.000 2.593 239 F HA 0.187 4.715 4.527 0.002 0.000 0.393 239 F C 1.601 177.404 175.800 0.004 0.000 1.037 239 F CA 1.364 59.368 58.000 0.007 0.000 1.195 239 F CB 0.380 39.391 39.000 0.018 0.000 1.034 239 F HN 0.316 nan 8.300 nan 0.000 0.552 240 G N 4.187 112.693 108.800 -0.490 0.000 2.234 240 G HA2 -0.366 3.595 3.960 0.002 0.000 0.235 240 G HA3 -0.366 3.595 3.960 0.002 0.000 0.235 240 G C 0.396 175.121 174.900 -0.293 0.000 0.997 240 G CA 0.318 45.099 45.100 -0.531 0.000 0.623 240 G HN 0.894 nan 8.290 nan 0.000 0.514 241 N N 0.811 119.416 118.700 -0.158 0.000 2.571 241 N HA 0.385 5.127 4.740 0.002 0.000 0.298 241 N C -0.095 175.369 175.510 -0.075 0.000 1.671 241 N CA -0.033 52.956 53.050 -0.102 0.000 0.900 241 N CB 0.472 38.917 38.487 -0.071 0.000 1.365 241 N HN 0.432 nan 8.380 nan 0.000 0.493 242 E N 0.116 120.266 120.200 -0.083 0.000 2.383 242 E HA 0.158 4.509 4.350 0.002 0.000 0.264 242 E C 0.254 176.832 176.600 -0.036 0.000 1.050 242 E CA 0.287 56.653 56.400 -0.058 0.000 0.896 242 E CB 0.848 30.512 29.700 -0.061 0.000 0.982 242 E HN 0.102 nan 8.360 nan 0.000 0.424 243 K N -0.128 120.255 120.400 -0.027 0.000 2.413 243 K HA 0.140 4.462 4.320 0.002 0.000 0.204 243 K C -0.675 175.921 176.600 -0.006 0.000 1.041 243 K CA -0.045 56.232 56.287 -0.016 0.000 1.082 243 K CB 0.914 33.403 32.500 -0.018 0.000 0.871 243 K HN 0.537 nan 8.250 nan 0.000 0.535 244 T N -2.268 112.284 114.554 -0.003 0.000 2.906 244 T HA 0.229 4.581 4.350 0.002 0.000 0.302 244 T C 0.322 175.038 174.700 0.026 0.000 1.002 244 T CA -0.806 61.301 62.100 0.012 0.000 0.988 244 T CB 1.455 70.333 68.868 0.016 0.000 0.972 244 T HN -0.021 nan 8.240 nan 0.000 0.447 245 Q N 0.916 120.737 119.800 0.034 0.000 2.547 245 Q HA 0.026 4.367 4.340 0.002 0.000 0.217 245 Q C -0.183 175.873 176.000 0.093 0.000 0.978 245 Q CA 0.417 56.256 55.803 0.060 0.000 0.962 245 Q CB -0.096 28.665 28.738 0.038 0.000 0.990 245 Q HN 0.653 nan 8.270 nan 0.000 0.538 246 E N -0.038 120.210 120.200 0.080 0.000 2.217 246 E HA 0.023 4.374 4.350 0.002 0.000 0.279 246 E C 0.143 176.828 176.600 0.140 0.000 1.068 246 E CA 0.115 56.573 56.400 0.097 0.000 0.882 246 E CB 0.434 30.188 29.700 0.091 0.000 1.039 246 E HN 0.263 nan 8.360 nan 0.000 0.418 247 H N 2.449 121.488 119.070 -0.051 0.000 2.357 247 H HA -0.031 4.527 4.556 0.002 0.000 0.301 247 H C -0.122 174.926 175.328 -0.467 0.000 1.082 247 H CA 0.562 56.473 56.048 -0.229 0.000 1.342 247 H CB 0.303 29.968 29.762 -0.163 0.000 1.389 247 H HN 0.347 nan 8.280 nan 0.000 0.511 248 F N 0.804 120.840 119.950 0.143 0.000 2.536 248 F HA 0.230 4.759 4.527 0.002 0.000 0.322 248 F C -0.115 175.769 175.800 0.140 0.000 1.144 248 F CA -0.803 57.235 58.000 0.063 0.000 0.924 248 F CB 1.923 40.745 39.000 -0.296 0.000 1.181 248 F HN -0.167 nan 8.300 nan 0.000 0.438 249 T N -0.971 113.839 114.554 0.426 0.000 2.893 249 T HA 0.421 4.773 4.350 0.002 0.000 0.291 249 T C -0.666 174.251 174.700 0.361 0.000 1.028 249 T CA -0.932 61.373 62.100 0.342 0.000 0.995 249 T CB 1.241 70.278 68.868 0.282 0.000 1.051 249 T HN 0.415 nan 8.240 nan 0.000 0.470 250 H N 2.602 121.836 119.070 0.273 0.000 2.964 250 H HA 0.094 4.652 4.556 0.002 0.000 0.328 250 H C 0.469 175.783 175.328 -0.023 0.000 1.030 250 H CA 0.210 56.243 56.048 -0.024 0.000 1.445 250 H CB 0.461 30.166 29.762 -0.094 0.000 1.449 250 H HN 0.551 nan 8.280 nan 0.000 0.581 251 N N 2.729 121.330 118.700 -0.165 0.000 2.466 251 N HA -0.054 4.688 4.740 0.002 0.000 0.263 251 N C 0.853 176.236 175.510 -0.212 0.000 1.178 251 N CA 0.030 52.747 53.050 -0.555 0.000 0.983 251 N CB 0.437 38.520 38.487 -0.674 0.000 1.331 251 N HN 0.624 nan 8.380 nan 0.000 0.500 252 T N -0.914 113.651 114.554 0.017 0.000 3.055 252 T HA -0.032 4.319 4.350 0.002 0.000 0.265 252 T C 1.875 176.607 174.700 0.054 0.000 1.111 252 T CA 0.409 62.541 62.100 0.054 0.000 1.118 252 T CB 0.083 69.026 68.868 0.125 0.000 0.909 252 T HN 0.129 nan 8.240 nan 0.000 0.501 253 V N 1.572 121.537 119.914 0.084 0.000 2.323 253 V HA -0.037 4.085 4.120 0.002 0.000 0.244 253 V C 2.901 179.034 176.094 0.064 0.000 1.041 253 V CA 1.249 63.614 62.300 0.109 0.000 1.025 253 V CB -0.428 31.516 31.823 0.202 0.000 0.656 253 V HN 0.355 nan 8.190 nan 0.000 0.451 254 R N 0.081 120.588 120.500 0.012 0.000 2.153 254 R HA 0.122 4.464 4.340 0.002 0.000 0.218 254 R C 1.872 178.143 176.300 -0.048 0.000 1.072 254 R CA 0.917 57.073 56.100 0.093 0.000 0.990 254 R CB -0.724 29.693 30.300 0.196 0.000 0.889 254 R HN 0.626 nan 8.270 nan 0.000 0.452 255 G N 0.958 109.695 108.800 -0.105 0.000 2.141 255 G HA2 -0.297 3.664 3.960 0.002 0.000 0.242 255 G HA3 -0.297 3.664 3.960 0.002 0.000 0.242 255 G C 0.273 175.023 174.900 -0.250 0.000 0.982 255 G CA 0.265 45.273 45.100 -0.153 0.000 0.662 255 G HN 0.601 nan 8.290 nan 0.000 0.527 256 C N -3.309 115.821 119.300 -0.285 0.000 3.231 256 C HA 0.934 5.395 4.460 0.002 0.000 0.343 256 C C 0.682 175.516 174.990 -0.260 0.000 1.349 256 C CA 0.280 59.099 59.018 -0.331 0.000 1.209 256 C CB 1.211 28.639 27.740 -0.521 0.000 1.475 256 C HN 2.398 nan 8.230 nan 0.000 0.460 257 S N -0.284 115.273 115.700 -0.238 0.000 3.368 257 S HA -0.095 4.376 4.470 0.002 0.000 0.632 257 S C -0.766 173.580 174.600 -0.422 0.000 2.690 257 S CA 1.232 59.323 58.200 -0.182 0.000 3.124 257 S CB -1.424 61.837 63.200 0.103 0.000 0.317 257 S HN 1.940 nan 8.310 nan 0.000 1.617 258 Y N -0.997 119.356 120.300 0.087 0.000 2.669 258 Y HA 0.748 5.299 4.550 0.002 0.000 0.335 258 Y C -0.383 175.502 175.900 -0.024 0.000 1.116 258 Y CA -0.754 57.392 58.100 0.078 0.000 1.081 258 Y CB 0.649 39.284 38.460 0.293 0.000 1.297 258 Y HN 0.511 nan 8.280 nan 0.000 0.484 259 F N 1.577 121.715 119.950 0.313 0.000 2.427 259 F HA 0.422 4.950 4.527 0.002 0.000 0.346 259 F C -0.700 175.149 175.800 0.083 0.000 1.120 259 F CA -1.371 56.667 58.000 0.065 0.000 1.033 259 F CB 0.682 39.705 39.000 0.039 0.000 1.126 259 F HN 0.277 nan 8.300 nan 0.000 0.462 260 Y N 0.111 120.565 120.300 0.257 0.000 2.387 260 Y HA 0.742 5.293 4.550 0.002 0.000 0.336 260 Y C -0.013 175.908 175.900 0.035 0.000 1.067 260 Y CA -1.737 56.311 58.100 -0.087 0.000 1.114 260 Y CB 0.613 38.978 38.460 -0.158 0.000 1.208 260 Y HN 0.516 nan 8.280 nan 0.000 0.458 261 S N 1.761 117.471 115.700 0.017 0.000 2.730 261 S HA 0.176 4.648 4.470 0.002 0.000 0.284 261 S C 0.608 175.103 174.600 -0.175 0.000 1.153 261 S CA -0.479 57.696 58.200 -0.041 0.000 0.995 261 S CB 0.650 63.761 63.200 -0.148 0.000 1.058 261 S HN 0.834 nan 8.310 nan 0.000 0.552 262 Y N 2.240 122.042 120.300 -0.830 0.000 2.128 262 Y HA 0.078 4.630 4.550 0.002 0.000 0.284 262 Y C -1.304 174.354 175.900 -0.402 0.000 1.154 262 Y CA 1.530 59.061 58.100 -0.949 0.000 1.149 262 Y CB -1.800 36.054 38.460 -1.009 0.000 0.976 262 Y HN 0.509 nan 8.280 nan 0.000 0.505 263 P HA -0.183 nan 4.420 nan 0.000 0.216 263 P C 1.514 178.407 177.300 -0.678 0.000 1.150 263 P CA 2.543 65.314 63.100 -0.549 0.000 0.837 263 P CB -0.334 31.155 31.700 -0.350 0.000 0.786 264 A N -0.716 121.599 122.820 -0.841 0.000 1.902 264 A HA -0.165 4.156 4.320 0.002 0.000 0.217 264 A C 2.324 179.746 177.584 -0.270 0.000 1.181 264 A CA 1.852 53.466 52.037 -0.704 0.000 0.623 264 A CB -1.681 16.852 19.000 -0.777 0.000 0.818 264 A HN 0.030 nan 8.150 nan 0.000 0.443 265 V N -0.957 118.836 119.914 -0.201 0.000 2.307 265 V HA -0.292 3.829 4.120 0.002 0.000 0.245 265 V C 2.672 178.741 176.094 -0.042 0.000 1.045 265 V CA 1.971 64.237 62.300 -0.057 0.000 1.024 265 V CB -1.076 30.815 31.823 0.113 0.000 0.651 265 V HN 0.710 nan 8.190 nan 0.000 0.449 266 C N -0.162 119.002 119.300 -0.226 0.000 2.413 266 C HA -0.205 4.256 4.460 0.002 0.000 0.276 266 C C 2.777 177.719 174.990 -0.080 0.000 1.236 266 C CA 1.569 60.462 59.018 -0.209 0.000 1.735 266 C CB -0.939 26.531 27.740 -0.451 0.000 2.031 266 C HN 0.717 nan 8.230 nan 0.000 0.474 267 E N -0.196 119.956 120.200 -0.081 0.000 2.058 267 E HA -0.279 4.072 4.350 0.002 0.000 0.194 267 E C 1.945 178.601 176.600 0.094 0.000 0.997 267 E CA 1.516 57.924 56.400 0.013 0.000 0.801 267 E CB -0.350 29.381 29.700 0.051 0.000 0.746 267 E HN 0.656 nan 8.360 nan 0.000 0.450 268 F N 1.131 121.078 119.950 -0.004 0.000 2.171 268 F HA -0.137 4.391 4.527 0.002 0.000 0.300 268 F C 1.904 177.725 175.800 0.036 0.000 1.090 268 F CA 1.213 59.239 58.000 0.045 0.000 1.293 268 F CB -0.055 38.958 39.000 0.022 0.000 1.013 268 F HN 0.015 nan 8.300 nan 0.000 0.486 269 L N 0.221 121.564 121.223 0.200 0.000 1.994 269 L HA -0.254 4.087 4.340 0.002 0.000 0.208 269 L C 2.747 179.604 176.870 -0.022 0.000 1.071 269 L CA 1.904 56.801 54.840 0.097 0.000 0.745 269 L CB -1.188 40.931 42.059 0.100 0.000 0.892 269 L HN 0.292 nan 8.230 nan 0.000 0.431 270 Q N -0.576 119.219 119.800 -0.009 0.000 2.050 270 Q HA -0.304 4.037 4.340 0.002 0.000 0.202 270 Q C 2.111 178.087 176.000 -0.040 0.000 0.980 270 Q CA 2.097 57.885 55.803 -0.024 0.000 0.840 270 Q CB -0.767 27.967 28.738 -0.006 0.000 0.898 270 Q HN 0.496 nan 8.270 nan 0.000 0.424 271 H N 1.304 120.292 119.070 -0.137 0.000 2.387 271 H HA -0.008 4.549 4.556 0.002 0.000 0.299 271 H C 1.175 176.366 175.328 -0.228 0.000 1.090 271 H CA 1.855 57.802 56.048 -0.168 0.000 1.332 271 H CB 0.072 29.726 29.762 -0.180 0.000 1.386 271 H HN 0.310 nan 8.280 nan 0.000 0.516 272 N N 0.379 118.842 118.700 -0.395 0.000 2.280 272 N HA -0.034 4.707 4.740 0.002 0.000 0.192 272 N C -0.459 174.887 175.510 -0.274 0.000 1.109 272 N CA 0.339 53.119 53.050 -0.450 0.000 0.855 272 N CB 0.283 38.406 38.487 -0.608 0.000 0.974 272 N HN 0.372 nan 8.380 nan 0.000 0.482 273 N N 0.844 119.421 118.700 -0.204 0.000 2.740 273 N HA -0.171 4.571 4.740 0.002 0.000 0.248 273 N C -0.862 174.561 175.510 -0.145 0.000 1.062 273 N CA 0.690 53.650 53.050 -0.151 0.000 0.704 273 N CB -1.462 36.935 38.487 -0.151 0.000 0.968 273 N HN 0.361 nan 8.380 nan 0.000 0.547 274 L N -0.104 121.047 121.223 -0.121 0.000 2.330 274 L HA 0.386 4.727 4.340 0.002 0.000 0.271 274 L C 1.532 178.337 176.870 -0.109 0.000 1.013 274 L CA -0.838 53.931 54.840 -0.118 0.000 0.816 274 L CB 1.342 43.387 42.059 -0.022 0.000 1.287 274 L HN -0.041 nan 8.230 nan 0.000 0.435 275 L N 0.451 121.539 121.223 -0.226 0.000 2.202 275 L HA 0.272 4.614 4.340 0.002 0.000 0.205 275 L C 0.599 177.521 176.870 0.087 0.000 1.083 275 L CA 1.119 55.847 54.840 -0.186 0.000 0.790 275 L CB 0.472 42.196 42.059 -0.557 0.000 0.942 275 L HN 0.650 nan 8.230 nan 0.000 0.452 276 S N -1.744 114.043 115.700 0.144 0.000 2.595 276 S HA 0.497 4.969 4.470 0.002 0.000 0.270 276 S C -1.623 173.182 174.600 0.340 0.000 1.145 276 S CA -0.833 57.597 58.200 0.384 0.000 0.825 276 S CB 0.643 64.279 63.200 0.728 0.000 1.107 276 S HN -0.065 nan 8.310 nan 0.000 0.461 277 I N 3.425 124.133 120.570 0.230 0.000 2.339 277 I HA 0.418 4.589 4.170 0.002 0.000 0.290 277 I C -0.586 175.587 176.117 0.094 0.000 0.994 277 I CA -0.488 60.881 61.300 0.114 0.000 1.191 277 I CB 1.017 39.002 38.000 -0.025 0.000 1.343 277 I HN 0.559 nan 8.210 nan 0.000 0.458 278 L N 7.584 128.845 121.223 0.064 0.000 2.272 278 L HA 0.568 4.909 4.340 0.002 0.000 0.289 278 L C -0.015 176.851 176.870 -0.007 0.000 1.032 278 L CA -0.731 54.112 54.840 0.005 0.000 0.810 278 L CB 1.147 43.160 42.059 -0.077 0.000 1.205 278 L HN 0.673 nan 8.230 nan 0.000 0.422 279 R N 2.767 123.265 120.500 -0.003 0.000 2.810 279 R HA 0.967 5.308 4.340 0.002 0.000 0.266 279 R C -0.876 175.413 176.300 -0.019 0.000 1.061 279 R CA -0.404 55.683 56.100 -0.023 0.000 0.943 279 R CB 1.322 31.606 30.300 -0.027 0.000 1.237 279 R HN 0.438 nan 8.270 nan 0.000 0.459 280 A N -1.173 121.593 122.820 -0.090 0.000 3.191 280 A HA 0.498 4.820 4.320 0.002 0.000 0.191 280 A C 0.156 177.674 177.584 -0.111 0.000 1.221 280 A CA 0.719 52.724 52.037 -0.054 0.000 1.399 280 A CB -0.711 18.268 19.000 -0.034 0.000 1.688 280 A HN 1.056 nan 8.150 nan 0.000 0.593 281 H N -0.557 118.251 119.070 -0.437 0.000 4.653 281 H HA -0.153 4.405 4.556 0.002 0.000 0.118 281 H C -0.236 175.028 175.328 -0.106 0.000 0.678 281 H CA 1.977 57.796 56.048 -0.383 0.000 1.231 281 H CB -0.928 28.513 29.762 -0.536 0.000 0.721 281 H HN 0.630 nan 8.280 nan 0.000 0.541 282 E N -0.065 120.053 120.200 -0.137 0.000 2.224 282 E HA 0.669 5.020 4.350 0.002 0.000 0.265 282 E C -0.311 175.897 176.600 -0.653 0.000 0.878 282 E CA -0.246 55.962 56.400 -0.319 0.000 0.759 282 E CB 1.869 31.436 29.700 -0.222 0.000 1.164 282 E HN 0.469 nan 8.360 nan 0.000 0.414 283 A N 3.538 125.711 122.820 -1.078 0.000 2.531 283 A HA 0.097 4.418 4.320 0.002 0.000 0.236 283 A C -0.239 176.775 177.584 -0.951 0.000 1.062 283 A CA 0.115 51.024 52.037 -1.880 0.000 0.760 283 A CB 0.332 18.570 19.000 -1.270 0.000 0.995 283 A HN 0.440 nan 8.150 nan 0.000 0.501 284 Q N 1.201 120.537 119.800 -0.773 0.000 2.304 284 Q HA 0.160 4.502 4.340 0.002 0.000 0.270 284 Q C -0.039 175.815 176.000 -0.242 0.000 1.035 284 Q CA -0.477 55.096 55.803 -0.383 0.000 0.781 284 Q CB 1.758 30.328 28.738 -0.281 0.000 1.261 284 Q HN 0.945 nan 8.270 nan 0.000 0.444 285 D N 2.702 122.966 120.400 -0.227 0.000 2.190 285 D HA -0.159 4.482 4.640 0.002 0.000 0.200 285 D C 1.127 177.357 176.300 -0.115 0.000 0.992 285 D CA 1.847 55.764 54.000 -0.139 0.000 0.854 285 D CB 0.529 41.247 40.800 -0.136 0.000 0.936 285 D HN 0.634 nan 8.370 nan 0.000 0.462 286 A N -1.458 121.239 122.820 -0.204 0.000 2.275 286 A HA 0.512 4.833 4.320 0.002 0.000 0.212 286 A C 1.856 179.403 177.584 -0.062 0.000 1.201 286 A CA 0.857 52.784 52.037 -0.184 0.000 0.843 286 A CB -0.181 18.568 19.000 -0.417 0.000 0.873 286 A HN 0.442 nan 8.150 nan 0.000 0.492 287 G N -1.953 106.819 108.800 -0.046 0.000 2.175 287 G HA2 -0.253 3.708 3.960 0.002 0.000 0.244 287 G HA3 -0.253 3.708 3.960 0.002 0.000 0.244 287 G C 0.060 175.075 174.900 0.192 0.000 0.982 287 G CA 0.817 45.979 45.100 0.103 0.000 0.641 287 G HN 1.862 nan 8.290 nan 0.000 0.527 288 Y N -2.281 118.007 120.300 -0.019 0.000 2.741 288 Y HA 0.825 5.376 4.550 0.002 0.000 0.339 288 Y C -0.845 174.997 175.900 -0.097 0.000 1.226 288 Y CA -1.363 56.718 58.100 -0.032 0.000 1.072 288 Y CB 0.748 39.191 38.460 -0.029 0.000 1.331 288 Y HN 0.408 nan 8.280 nan 0.000 0.453 289 R N 2.500 122.923 120.500 -0.127 0.000 2.536 289 R HA 0.647 4.988 4.340 0.002 0.000 0.269 289 R C -2.135 174.057 176.300 -0.180 0.000 1.113 289 R CA -0.760 55.137 56.100 -0.339 0.000 0.948 289 R CB 1.776 31.770 30.300 -0.510 0.000 1.237 289 R HN 0.966 nan 8.270 nan 0.000 0.441 290 M N 4.217 123.701 119.600 -0.194 0.000 2.294 290 M HA 0.399 4.880 4.480 0.002 0.000 0.335 290 M C -1.274 174.890 176.300 -0.227 0.000 1.079 290 M CA -0.697 54.550 55.300 -0.089 0.000 0.982 290 M CB 1.525 34.112 32.600 -0.021 0.000 1.651 290 M HN 0.483 nan 8.290 nan 0.000 0.437 291 Y N 0.286 120.575 120.300 -0.020 0.000 2.545 291 Y HA 0.500 5.051 4.550 0.002 0.000 0.324 291 Y C 0.517 176.473 175.900 0.093 0.000 1.220 291 Y CA -0.947 57.183 58.100 0.049 0.000 1.290 291 Y CB 0.536 39.014 38.460 0.031 0.000 1.355 291 Y HN 0.541 nan 8.280 nan 0.000 0.516 292 R N 1.847 122.514 120.500 0.279 0.000 2.466 292 R HA -0.111 4.230 4.340 0.002 0.000 0.280 292 R C -0.750 175.627 176.300 0.127 0.000 0.926 292 R CA 0.342 56.458 56.100 0.027 0.000 1.127 292 R CB 0.188 30.258 30.300 -0.383 0.000 0.871 292 R HN 0.636 nan 8.270 nan 0.000 0.421 293 K N 2.306 122.746 120.400 0.068 0.000 2.295 293 K HA 0.036 4.357 4.320 0.002 0.000 0.270 293 K C 0.201 176.961 176.600 0.266 0.000 1.011 293 K CA -0.193 56.175 56.287 0.135 0.000 0.953 293 K CB 1.125 33.667 32.500 0.070 0.000 0.956 293 K HN 0.521 nan 8.250 nan 0.000 0.477 294 S N 1.321 117.198 115.700 0.295 0.000 2.572 294 S HA -0.033 4.439 4.470 0.002 0.000 0.279 294 S C 1.011 175.737 174.600 0.209 0.000 1.341 294 S CA -0.419 57.951 58.200 0.284 0.000 1.043 294 S CB 0.685 64.006 63.200 0.200 0.000 0.887 294 S HN 0.485 nan 8.310 nan 0.000 0.516 295 Q N 2.705 122.616 119.800 0.186 0.000 2.230 295 Q HA -0.042 4.299 4.340 0.002 0.000 0.202 295 Q C 2.009 178.060 176.000 0.086 0.000 0.963 295 Q CA 1.466 57.344 55.803 0.125 0.000 0.866 295 Q CB -0.760 28.042 28.738 0.108 0.000 0.931 295 Q HN 0.804 nan 8.270 nan 0.000 0.452 296 T N 0.390 114.989 114.554 0.075 0.000 2.896 296 T HA -0.060 4.291 4.350 0.002 0.000 0.263 296 T C 1.901 176.638 174.700 0.062 0.000 1.050 296 T CA 1.746 63.878 62.100 0.053 0.000 1.140 296 T CB 0.009 68.896 68.868 0.032 0.000 0.877 296 T HN 0.533 nan 8.240 nan 0.000 0.457 297 T N -2.304 112.307 114.554 0.095 0.000 2.955 297 T HA 0.448 4.799 4.350 0.002 0.000 0.251 297 T C 1.798 176.588 174.700 0.151 0.000 1.002 297 T CA 0.798 62.964 62.100 0.110 0.000 0.970 297 T CB 0.221 69.162 68.868 0.121 0.000 1.091 297 T HN 0.442 nan 8.240 nan 0.000 0.495 298 G N 1.261 110.157 108.800 0.161 0.000 2.143 298 G HA2 -0.212 3.749 3.960 0.002 0.000 0.249 298 G HA3 -0.212 3.749 3.960 0.002 0.000 0.249 298 G C -0.199 174.822 174.900 0.202 0.000 0.981 298 G CA 0.196 45.387 45.100 0.151 0.000 0.665 298 G HN 0.694 nan 8.290 nan 0.000 0.528 299 F N 1.133 121.143 119.950 0.100 0.000 2.492 299 F HA 0.679 5.207 4.527 0.002 0.000 0.327 299 F C -2.172 173.721 175.800 0.155 0.000 1.079 299 F CA -2.767 55.305 58.000 0.120 0.000 0.967 299 F CB 1.703 40.775 39.000 0.120 0.000 1.169 299 F HN -0.125 nan 8.300 nan 0.000 0.472 300 P HA -0.048 nan 4.420 nan 0.000 0.258 300 P C 0.223 177.593 177.300 0.117 0.000 1.172 300 P CA 0.670 63.630 63.100 -0.234 0.000 0.762 300 P CB 0.498 31.943 31.700 -0.426 0.000 0.764 301 S N 3.795 119.665 115.700 0.284 0.000 2.423 301 S HA -0.062 4.409 4.470 0.002 0.000 0.231 301 S C 0.539 175.315 174.600 0.293 0.000 1.014 301 S CA 0.627 59.040 58.200 0.355 0.000 0.965 301 S CB -0.368 63.130 63.200 0.498 0.000 0.785 301 S HN 0.381 nan 8.310 nan 0.000 0.495 302 L N 0.076 121.446 121.223 0.247 0.000 2.482 302 L HA 0.678 5.019 4.340 0.002 0.000 0.263 302 L C -1.806 175.195 176.870 0.219 0.000 0.957 302 L CA -0.737 54.160 54.840 0.094 0.000 0.836 302 L CB 2.022 43.892 42.059 -0.314 0.000 1.324 302 L HN 0.207 nan 8.230 nan 0.000 0.406 303 I N 3.354 124.022 120.570 0.163 0.000 2.499 303 I HA 0.398 4.569 4.170 0.002 0.000 0.288 303 I C -0.593 175.626 176.117 0.171 0.000 1.048 303 I CA -0.456 60.962 61.300 0.197 0.000 1.062 303 I CB 2.351 40.410 38.000 0.099 0.000 1.238 303 I HN 0.516 nan 8.210 nan 0.000 0.426 304 T N 6.566 121.266 114.554 0.244 0.000 2.767 304 T HA 0.526 4.877 4.350 0.002 0.000 0.284 304 T C -0.545 174.238 174.700 0.138 0.000 0.973 304 T CA -0.216 61.981 62.100 0.163 0.000 0.996 304 T CB 1.302 70.277 68.868 0.179 0.000 0.927 304 T HN 0.268 nan 8.240 nan 0.000 0.456 305 I N 3.739 124.377 120.570 0.113 0.000 2.433 305 I HA 0.690 4.862 4.170 0.002 0.000 0.292 305 I C -1.695 174.526 176.117 0.172 0.000 1.001 305 I CA -1.321 60.056 61.300 0.128 0.000 1.119 305 I CB 1.003 39.036 38.000 0.056 0.000 1.289 305 I HN 0.555 nan 8.210 nan 0.000 0.438 306 F N 5.802 125.738 119.950 -0.022 0.000 2.539 306 F HA 0.447 4.975 4.527 0.002 0.000 0.328 306 F C 0.186 175.950 175.800 -0.061 0.000 1.148 306 F CA -0.262 57.697 58.000 -0.068 0.000 0.940 306 F CB 2.036 40.964 39.000 -0.120 0.000 1.194 306 F HN 0.462 nan 8.300 nan 0.000 0.438 307 S N 3.858 119.290 115.700 -0.447 0.000 2.582 307 S HA 0.385 4.856 4.470 0.002 0.000 0.234 307 S C 0.382 174.781 174.600 -0.336 0.000 0.961 307 S CA 0.099 58.140 58.200 -0.265 0.000 0.953 307 S CB 0.213 63.392 63.200 -0.036 0.000 0.800 307 S HN 0.636 nan 8.310 nan 0.000 0.471 308 A N 4.036 126.455 122.820 -0.669 0.000 2.582 308 A HA 0.541 4.862 4.320 0.002 0.000 0.336 308 A C -2.561 174.983 177.584 -0.067 0.000 1.445 308 A CA -1.891 49.959 52.037 -0.312 0.000 0.997 308 A CB 0.168 18.971 19.000 -0.328 0.000 1.148 308 A HN 0.123 nan 8.150 nan 0.000 0.514 309 P HA -0.007 nan 4.420 nan 0.000 0.269 309 P C 0.070 177.457 177.300 0.145 0.000 1.209 309 P CA 0.106 63.191 63.100 -0.025 0.000 0.776 309 P CB 0.373 31.999 31.700 -0.123 0.000 0.876 310 N N 0.754 119.555 118.700 0.169 0.000 2.698 310 N HA -0.274 4.467 4.740 0.002 0.000 0.258 310 N C -0.818 174.850 175.510 0.263 0.000 0.978 310 N CA 0.418 53.589 53.050 0.201 0.000 0.777 310 N CB -1.969 36.607 38.487 0.149 0.000 0.907 310 N HN 0.384 nan 8.380 nan 0.000 0.543 311 Y N 1.722 122.155 120.300 0.222 0.000 2.895 311 Y HA 0.019 4.570 4.550 0.002 0.000 0.334 311 Y C 1.469 177.411 175.900 0.070 0.000 1.261 311 Y CA 1.035 59.281 58.100 0.242 0.000 1.560 311 Y CB 0.098 38.852 38.460 0.489 0.000 1.253 311 Y HN 0.333 nan 8.280 nan 0.000 0.582 312 L N 4.998 126.060 121.223 -0.268 0.000 4.232 312 L HA -0.428 3.913 4.340 0.002 0.000 0.415 312 L C 0.417 177.159 176.870 -0.213 0.000 1.168 312 L CA 0.904 55.503 54.840 -0.402 0.000 0.966 312 L CB -1.389 40.254 42.059 -0.695 0.000 2.052 312 L HN 0.791 nan 8.230 nan 0.000 0.887 313 D N -1.824 118.552 120.400 -0.041 0.000 3.039 313 D HA -0.211 4.430 4.640 0.002 0.000 0.222 313 D C 1.135 177.399 176.300 -0.060 0.000 1.179 313 D CA 1.388 55.408 54.000 0.034 0.000 0.880 313 D CB -1.177 39.690 40.800 0.111 0.000 1.115 313 D HN 0.646 nan 8.370 nan 0.000 0.416 314 V N -4.513 115.279 119.914 -0.203 0.000 3.251 314 V HA 0.126 4.247 4.120 0.002 0.000 0.239 314 V C 1.939 177.957 176.094 -0.126 0.000 1.332 314 V CA 0.087 62.248 62.300 -0.232 0.000 1.224 314 V CB -0.677 30.909 31.823 -0.394 0.000 1.004 314 V HN 0.160 nan 8.190 nan 0.000 0.464 315 Y N 1.995 122.331 120.300 0.061 0.000 2.497 315 Y HA 0.057 4.608 4.550 0.002 0.000 0.292 315 Y C 1.526 177.461 175.900 0.058 0.000 1.137 315 Y CA 0.913 59.053 58.100 0.066 0.000 1.285 315 Y CB -0.537 37.989 38.460 0.110 0.000 0.991 315 Y HN 0.443 nan 8.280 nan 0.000 0.556 316 N N 0.588 119.401 118.700 0.188 0.000 2.693 316 N HA -0.223 4.518 4.740 0.002 0.000 0.249 316 N C -0.856 174.723 175.510 0.115 0.000 1.119 316 N CA 0.619 53.745 53.050 0.125 0.000 0.717 316 N CB -1.281 37.259 38.487 0.089 0.000 1.071 316 N HN 0.512 nan 8.380 nan 0.000 0.555 317 N N 0.716 119.508 118.700 0.153 0.000 2.483 317 N HA 0.195 4.936 4.740 0.002 0.000 0.269 317 N C -0.231 175.313 175.510 0.057 0.000 1.209 317 N CA -0.100 53.007 53.050 0.095 0.000 0.969 317 N CB 1.226 39.784 38.487 0.119 0.000 1.173 317 N HN 0.120 nan 8.380 nan 0.000 0.475 318 K N -0.076 120.328 120.400 0.007 0.000 2.090 318 K HA 0.605 4.926 4.320 0.002 0.000 0.249 318 K C -0.337 176.192 176.600 -0.118 0.000 0.995 318 K CA -0.866 55.385 56.287 -0.060 0.000 0.914 318 K CB 1.298 33.780 32.500 -0.031 0.000 1.057 318 K HN 0.724 nan 8.250 nan 0.000 0.462 319 A N 0.470 123.054 122.820 -0.393 0.000 2.313 319 A HA 0.878 5.199 4.320 0.002 0.000 0.323 319 A C -1.180 176.138 177.584 -0.445 0.000 1.133 319 A CA -0.529 51.195 52.037 -0.522 0.000 0.847 319 A CB 1.484 19.865 19.000 -1.031 0.000 1.308 319 A HN 0.723 nan 8.150 nan 0.000 0.475 320 A N -0.879 121.856 122.820 -0.141 0.000 2.610 320 A HA 0.762 5.083 4.320 0.002 0.000 0.291 320 A C -0.821 176.868 177.584 0.175 0.000 1.086 320 A CA 0.113 52.218 52.037 0.112 0.000 0.677 320 A CB 0.947 20.041 19.000 0.156 0.000 1.278 320 A HN 2.337 nan 8.150 nan 0.000 0.414 321 V N -1.556 118.453 119.914 0.159 0.000 3.007 321 V HA 0.809 4.930 4.120 0.002 0.000 0.311 321 V C -1.080 175.009 176.094 -0.008 0.000 1.120 321 V CA -0.863 61.473 62.300 0.059 0.000 0.980 321 V CB 1.743 33.594 31.823 0.046 0.000 1.033 321 V HN 0.830 nan 8.190 nan 0.000 0.429 322 L N 2.901 124.091 121.223 -0.055 0.000 2.276 322 L HA 0.560 4.901 4.340 0.002 0.000 0.286 322 L C 0.065 176.892 176.870 -0.072 0.000 1.024 322 L CA -0.536 54.262 54.840 -0.070 0.000 0.826 322 L CB 1.432 43.436 42.059 -0.092 0.000 1.211 322 L HN 0.676 nan 8.230 nan 0.000 0.422 323 K N 3.688 124.055 120.400 -0.055 0.000 2.267 323 K HA 0.251 4.572 4.320 0.002 0.000 0.282 323 K C -1.129 175.479 176.600 0.012 0.000 1.078 323 K CA -0.555 55.697 56.287 -0.060 0.000 0.903 323 K CB 1.275 33.730 32.500 -0.076 0.000 1.111 323 K HN 0.285 nan 8.250 nan 0.000 0.475 324 Y N 2.744 122.975 120.300 -0.115 0.000 2.328 324 Y HA 0.215 4.767 4.550 0.002 0.000 0.337 324 Y C -0.058 175.811 175.900 -0.050 0.000 1.008 324 Y CA -0.398 57.651 58.100 -0.084 0.000 1.129 324 Y CB 0.969 39.365 38.460 -0.106 0.000 1.185 324 Y HN 0.591 nan 8.280 nan 0.000 0.476 325 E N 2.539 122.298 120.200 -0.735 0.000 2.404 325 E HA 0.199 4.550 4.350 0.002 0.000 0.264 325 E C -0.864 175.236 176.600 -0.834 0.000 0.946 325 E CA -1.391 54.663 56.400 -0.577 0.000 0.806 325 E CB 0.873 30.401 29.700 -0.287 0.000 1.334 325 E HN 0.748 nan 8.360 nan 0.000 0.429 326 N N 1.794 120.239 118.700 -0.425 0.000 2.414 326 N HA -0.126 4.615 4.740 0.002 0.000 0.268 326 N C -0.214 175.167 175.510 -0.215 0.000 1.286 326 N CA 0.673 53.553 53.050 -0.283 0.000 0.896 326 N CB 0.049 38.452 38.487 -0.139 0.000 1.093 326 N HN 0.730 nan 8.380 nan 0.000 0.480 327 N N -0.223 118.403 118.700 -0.123 0.000 2.681 327 N HA -0.194 4.548 4.740 0.002 0.000 0.250 327 N C -1.403 174.129 175.510 0.036 0.000 1.133 327 N CA 0.656 53.721 53.050 0.025 0.000 0.732 327 N CB -0.393 38.102 38.487 0.014 0.000 1.107 327 N HN 0.426 nan 8.380 nan 0.000 0.559 328 V N 1.337 121.219 119.914 -0.053 0.000 2.567 328 V HA 0.333 4.454 4.120 0.002 0.000 0.298 328 V C -0.187 175.948 176.094 0.068 0.000 1.047 328 V CA -0.435 61.873 62.300 0.012 0.000 0.880 328 V CB 1.754 33.547 31.823 -0.050 0.000 1.009 328 V HN 0.155 nan 8.190 nan 0.000 0.429 329 M N 5.010 124.732 119.600 0.203 0.000 2.047 329 M HA 0.447 4.928 4.480 0.002 0.000 0.342 329 M C -0.211 176.131 176.300 0.071 0.000 1.058 329 M CA -0.127 55.307 55.300 0.224 0.000 0.991 329 M CB 0.436 33.203 32.600 0.279 0.000 1.474 329 M HN 0.798 nan 8.290 nan 0.000 0.419 330 N N 6.333 125.046 118.700 0.020 0.000 2.527 330 N HA 0.320 5.061 4.740 0.002 0.000 0.236 330 N C -1.168 174.305 175.510 -0.062 0.000 0.999 330 N CA -0.469 52.564 53.050 -0.028 0.000 0.935 330 N CB 0.734 39.202 38.487 -0.031 0.000 1.132 330 N HN 0.693 nan 8.380 nan 0.000 0.511 331 I N 4.272 124.769 120.570 -0.121 0.000 2.379 331 I HA 0.160 4.331 4.170 0.002 0.000 0.290 331 I C 0.334 176.381 176.117 -0.116 0.000 1.063 331 I CA -0.387 60.803 61.300 -0.183 0.000 1.351 331 I CB 0.478 38.208 38.000 -0.451 0.000 1.410 331 I HN 0.342 nan 8.210 nan 0.000 0.505 332 R N 6.655 127.138 120.500 -0.028 0.000 2.310 332 R HA 0.437 4.778 4.340 0.002 0.000 0.324 332 R C -0.806 175.585 176.300 0.151 0.000 0.955 332 R CA -0.742 55.385 56.100 0.045 0.000 0.830 332 R CB 1.247 31.576 30.300 0.049 0.000 1.154 332 R HN 0.607 nan 8.270 nan 0.000 0.458 333 Q N 2.345 122.230 119.800 0.141 0.000 2.260 333 Q HA 0.518 4.860 4.340 0.002 0.000 0.242 333 Q C -0.601 175.572 176.000 0.288 0.000 0.932 333 Q CA -0.395 55.510 55.803 0.170 0.000 0.891 333 Q CB 1.191 29.998 28.738 0.116 0.000 1.222 333 Q HN 0.549 nan 8.270 nan 0.000 0.453 334 F N -1.792 118.191 119.950 0.054 0.000 2.654 334 F HA 0.534 5.062 4.527 0.002 0.000 0.308 334 F C -1.045 174.792 175.800 0.062 0.000 1.108 334 F CA -1.304 56.725 58.000 0.049 0.000 0.957 334 F CB 1.042 40.063 39.000 0.035 0.000 1.309 334 F HN 0.271 nan 8.300 nan 0.000 0.446 335 N N 0.501 119.319 118.700 0.196 0.000 2.447 335 N HA 0.446 5.188 4.740 0.002 0.000 0.271 335 N C -0.576 175.039 175.510 0.176 0.000 1.226 335 N CA -0.164 52.948 53.050 0.104 0.000 0.980 335 N CB 1.498 40.047 38.487 0.105 0.000 1.206 335 N HN 1.005 nan 8.380 nan 0.000 0.558 336 C N -0.980 118.398 119.300 0.131 0.000 2.656 336 C HA 0.642 5.103 4.460 0.002 0.000 0.391 336 C C 0.771 175.868 174.990 0.179 0.000 1.300 336 C CA -0.676 58.446 59.018 0.174 0.000 2.302 336 C CB -0.104 27.731 27.740 0.158 0.000 2.655 336 C HN 0.468 nan 8.230 nan 0.000 0.656 337 S N 1.801 117.625 115.700 0.207 0.000 2.648 337 S HA 0.738 5.209 4.470 0.002 0.000 0.305 337 S C -2.582 172.102 174.600 0.141 0.000 1.094 337 S CA -0.387 57.916 58.200 0.170 0.000 0.983 337 S CB 1.401 64.721 63.200 0.201 0.000 1.101 337 S HN 0.777 nan 8.310 nan 0.000 0.514 338 P HA 0.429 nan 4.420 nan 0.000 0.274 338 P C -1.139 176.047 177.300 -0.190 0.000 1.231 338 P CA -0.109 62.940 63.100 -0.085 0.000 0.790 338 P CB 0.330 31.974 31.700 -0.094 0.000 0.951 339 H N -1.341 117.566 119.070 -0.272 0.000 3.016 339 H HA 0.670 5.227 4.556 0.002 0.000 0.362 339 H C -2.860 172.280 175.328 -0.313 0.000 1.233 339 H CA -2.478 53.173 56.048 -0.662 0.000 1.124 339 H CB -0.554 28.993 29.762 -0.358 0.000 1.850 339 H HN 0.133 nan 8.280 nan 0.000 0.549 340 P HA 0.029 nan 4.420 nan 0.000 0.270 340 P C -1.130 176.414 177.300 0.406 0.000 1.227 340 P CA -0.120 63.047 63.100 0.111 0.000 0.788 340 P CB 0.316 32.105 31.700 0.148 0.000 0.926 341 Y N 0.402 120.729 120.300 0.044 0.000 2.376 341 Y HA 0.528 5.079 4.550 0.002 0.000 0.325 341 Y C -0.834 174.995 175.900 -0.118 0.000 1.199 341 Y CA -0.045 58.058 58.100 0.004 0.000 1.206 341 Y CB 0.839 39.224 38.460 -0.125 0.000 1.229 341 Y HN 0.407 nan 8.280 nan 0.000 0.480 342 W N 5.565 126.284 121.300 -0.969 0.000 3.256 342 W HA 0.532 5.193 4.660 0.002 0.000 0.324 342 W C -1.615 174.131 176.519 -1.290 0.000 1.196 342 W CA -0.742 56.038 57.345 -0.941 0.000 1.206 342 W CB 1.452 30.287 29.460 -1.042 0.000 1.385 342 W HN 0.345 nan 8.180 nan 0.000 0.522 343 L N 4.141 125.018 121.223 -0.578 0.000 2.436 343 L HA 0.368 4.709 4.340 0.002 0.000 0.265 343 L C -1.843 174.624 176.870 -0.672 0.000 1.168 343 L CA -1.700 52.741 54.840 -0.666 0.000 0.815 343 L CB 0.245 41.894 42.059 -0.683 0.000 1.109 343 L HN 0.008 nan 8.230 nan 0.000 0.462 344 P HA -0.029 nan 4.420 nan 0.000 0.265 344 P C -0.352 176.748 177.300 -0.333 0.000 1.187 344 P CA 0.483 63.346 63.100 -0.395 0.000 0.766 344 P CB 0.198 31.785 31.700 -0.189 0.000 0.820 345 N N 1.295 119.811 118.700 -0.306 0.000 2.741 345 N HA -0.225 4.516 4.740 0.002 0.000 0.251 345 N C -0.515 174.953 175.510 -0.069 0.000 1.112 345 N CA 0.594 53.559 53.050 -0.142 0.000 0.750 345 N CB -2.130 36.333 38.487 -0.041 0.000 1.119 345 N HN 0.408 nan 8.380 nan 0.000 0.561 346 F N -2.969 116.825 119.950 -0.261 0.000 3.091 346 F HA -0.301 4.227 4.527 0.002 0.000 0.288 346 F C 0.877 176.715 175.800 0.063 0.000 0.907 346 F CA 1.032 58.889 58.000 -0.239 0.000 1.028 346 F CB -1.683 37.015 39.000 -0.503 0.000 1.022 346 F HN 0.337 nan 8.300 nan 0.000 0.665 347 M N 1.700 121.351 119.600 0.084 0.000 2.233 347 M HA 0.271 4.753 4.480 0.002 0.000 0.350 347 M C 0.554 176.893 176.300 0.065 0.000 1.176 347 M CA -0.304 55.039 55.300 0.072 0.000 1.150 347 M CB 0.566 33.166 32.600 -0.000 0.000 1.530 347 M HN 0.259 nan 8.290 nan 0.000 0.459 348 D N 2.466 122.926 120.400 0.101 0.000 2.312 348 D HA 0.199 4.840 4.640 0.002 0.000 0.248 348 D C 1.039 177.365 176.300 0.044 0.000 1.086 348 D CA -0.673 53.356 54.000 0.049 0.000 0.948 348 D CB 0.814 41.681 40.800 0.113 0.000 1.162 348 D HN 0.453 nan 8.370 nan 0.000 0.446 349 V N -1.104 118.759 119.914 -0.085 0.000 2.720 349 V HA -0.152 3.970 4.120 0.002 0.000 0.256 349 V C 1.531 177.638 176.094 0.021 0.000 1.082 349 V CA 1.061 63.358 62.300 -0.004 0.000 1.101 349 V CB -1.249 30.484 31.823 -0.149 0.000 0.693 349 V HN 0.498 nan 8.190 nan 0.000 0.479 350 F N 1.850 121.890 119.950 0.151 0.000 2.053 350 F HA -0.008 4.520 4.527 0.002 0.000 0.292 350 F C 2.826 178.708 175.800 0.136 0.000 1.125 350 F CA 1.986 60.058 58.000 0.120 0.000 1.193 350 F CB -1.633 37.416 39.000 0.081 0.000 0.996 350 F HN 0.051 nan 8.300 nan 0.000 0.470 351 T N -0.599 114.157 114.554 0.336 0.000 2.685 351 T HA -0.295 4.056 4.350 0.002 0.000 0.268 351 T C 1.617 176.474 174.700 0.263 0.000 1.034 351 T CA 1.792 64.039 62.100 0.244 0.000 1.149 351 T CB -0.716 68.273 68.868 0.203 0.000 0.860 351 T HN 0.440 nan 8.240 nan 0.000 0.449 352 W N 2.172 123.509 121.300 0.062 0.000 2.355 352 W HA -0.140 4.521 4.660 0.002 0.000 0.309 352 W C 2.734 179.280 176.519 0.045 0.000 1.206 352 W CA 1.575 58.938 57.345 0.030 0.000 1.284 352 W CB -0.609 28.846 29.460 -0.008 0.000 1.145 352 W HN 0.321 nan 8.180 nan 0.000 0.502 353 S N -1.062 114.676 115.700 0.064 0.000 2.503 353 S HA -0.043 4.428 4.470 0.002 0.000 0.215 353 S C 1.762 176.403 174.600 0.068 0.000 1.003 353 S CA 0.584 58.734 58.200 -0.083 0.000 0.910 353 S CB -0.594 62.584 63.200 -0.036 0.000 0.790 353 S HN 0.116 nan 8.310 nan 0.000 0.514 354 L N 2.980 124.277 121.223 0.124 0.000 2.013 354 L HA 0.076 4.418 4.340 0.002 0.000 0.212 354 L C -0.968 175.948 176.870 0.076 0.000 1.073 354 L CA 1.870 56.779 54.840 0.116 0.000 0.753 354 L CB -1.400 40.737 42.059 0.130 0.000 0.890 354 L HN 0.183 nan 8.230 nan 0.000 0.432 355 P HA -0.220 nan 4.420 nan 0.000 0.216 355 P C 1.667 179.007 177.300 0.066 0.000 1.150 355 P CA 1.405 64.539 63.100 0.056 0.000 0.837 355 P CB -0.181 31.552 31.700 0.055 0.000 0.786 356 F N -0.019 119.879 119.950 -0.087 0.000 2.146 356 F HA -0.152 4.376 4.527 0.002 0.000 0.298 356 F C 2.010 177.768 175.800 -0.071 0.000 1.096 356 F CA 1.175 59.114 58.000 -0.102 0.000 1.275 356 F CB -0.882 38.014 39.000 -0.174 0.000 1.008 356 F HN -0.315 nan 8.300 nan 0.000 0.480 357 V N 0.528 120.422 119.914 -0.033 0.000 2.287 357 V HA -0.276 3.845 4.120 0.002 0.000 0.248 357 V C 2.772 178.778 176.094 -0.145 0.000 1.053 357 V CA 2.060 64.296 62.300 -0.107 0.000 1.027 357 V CB -1.681 30.152 31.823 0.016 0.000 0.646 357 V HN 0.540 nan 8.190 nan 0.000 0.447 358 G N 0.562 109.314 108.800 -0.080 0.000 2.491 358 G HA2 -0.326 3.635 3.960 0.002 0.000 0.218 358 G HA3 -0.326 3.635 3.960 0.002 0.000 0.218 358 G C 1.429 176.263 174.900 -0.109 0.000 1.180 358 G CA 1.123 46.180 45.100 -0.072 0.000 0.774 358 G HN 0.733 nan 8.290 nan 0.000 0.562 359 E N -0.159 119.960 120.200 -0.135 0.000 2.204 359 E HA -0.070 4.281 4.350 0.002 0.000 0.194 359 E C 2.120 178.593 176.600 -0.212 0.000 0.989 359 E CA 0.840 57.154 56.400 -0.144 0.000 0.824 359 E CB -0.068 29.564 29.700 -0.113 0.000 0.756 359 E HN 0.175 nan 8.360 nan 0.000 0.477 360 K N 0.938 121.129 120.400 -0.348 0.000 2.167 360 K HA -0.036 4.286 4.320 0.002 0.000 0.203 360 K C 2.393 178.866 176.600 -0.211 0.000 1.052 360 K CA 1.273 57.340 56.287 -0.367 0.000 0.956 360 K CB 0.019 32.142 32.500 -0.629 0.000 0.735 360 K HN 0.338 nan 8.250 nan 0.000 0.451 361 V N -1.577 118.237 119.914 -0.167 0.000 2.488 361 V HA -0.100 4.021 4.120 0.002 0.000 0.246 361 V C 2.007 178.052 176.094 -0.083 0.000 1.046 361 V CA 1.659 63.896 62.300 -0.104 0.000 1.053 361 V CB -1.145 30.631 31.823 -0.077 0.000 0.679 361 V HN 0.035 nan 8.190 nan 0.000 0.458 362 T N 0.588 115.091 114.554 -0.085 0.000 2.708 362 T HA -0.212 4.139 4.350 0.002 0.000 0.266 362 T C 1.835 176.497 174.700 -0.063 0.000 1.037 362 T CA 2.174 64.236 62.100 -0.064 0.000 1.146 362 T CB -0.360 68.472 68.868 -0.059 0.000 0.865 362 T HN 0.778 nan 8.240 nan 0.000 0.435 363 E N 0.644 120.796 120.200 -0.081 0.000 2.085 363 E HA -0.190 4.161 4.350 0.002 0.000 0.194 363 E C 2.244 178.807 176.600 -0.061 0.000 0.994 363 E CA 1.125 57.482 56.400 -0.071 0.000 0.801 363 E CB -0.232 29.413 29.700 -0.092 0.000 0.743 363 E HN 0.473 nan 8.360 nan 0.000 0.453 364 M N 0.456 120.015 119.600 -0.069 0.000 2.086 364 M HA -0.181 4.300 4.480 0.002 0.000 0.261 364 M C 2.117 178.393 176.300 -0.040 0.000 1.067 364 M CA 1.482 56.750 55.300 -0.053 0.000 1.116 364 M CB -0.032 32.534 32.600 -0.057 0.000 1.348 364 M HN 0.199 nan 8.290 nan 0.000 0.407 365 L N -0.604 120.595 121.223 -0.040 0.000 2.201 365 L HA -0.144 4.197 4.340 0.002 0.000 0.212 365 L C 2.270 179.124 176.870 -0.027 0.000 1.105 365 L CA 0.474 55.295 54.840 -0.031 0.000 0.775 365 L CB -0.662 41.379 42.059 -0.030 0.000 0.913 365 L HN 0.210 nan 8.230 nan 0.000 0.440 366 V N 0.009 119.905 119.914 -0.030 0.000 2.379 366 V HA -0.214 3.908 4.120 0.002 0.000 0.245 366 V C 2.221 178.301 176.094 -0.022 0.000 1.044 366 V CA 1.597 63.882 62.300 -0.025 0.000 1.036 366 V CB -0.547 31.260 31.823 -0.027 0.000 0.664 366 V HN 0.492 nan 8.190 nan 0.000 0.453 367 N N 0.290 118.975 118.700 -0.024 0.000 2.188 367 N HA -0.114 4.627 4.740 0.002 0.000 0.184 367 N C 1.804 177.304 175.510 -0.018 0.000 1.018 367 N CA 1.339 54.377 53.050 -0.020 0.000 0.858 367 N CB -0.272 38.202 38.487 -0.022 0.000 0.989 367 N HN 0.347 nan 8.380 nan 0.000 0.426 368 V N 1.763 121.665 119.914 -0.019 0.000 2.407 368 V HA -0.112 4.009 4.120 0.002 0.000 0.248 368 V C 1.863 177.949 176.094 -0.014 0.000 1.055 368 V CA 0.995 63.286 62.300 -0.016 0.000 1.049 368 V CB -0.363 31.450 31.823 -0.017 0.000 0.662 368 V HN 0.263 nan 8.190 nan 0.000 0.455 369 L N 0.661 121.876 121.223 -0.015 0.000 2.718 369 L HA 0.150 4.491 4.340 0.002 0.000 0.242 369 L C 0.476 177.340 176.870 -0.011 0.000 1.203 369 L CA 0.374 55.206 54.840 -0.013 0.000 1.011 369 L CB -1.107 40.944 42.059 -0.014 0.000 1.250 369 L HN 0.469 nan 8.230 nan 0.000 0.437 370 N N 0.000 118.693 118.700 -0.011 0.000 1.763 370 N HA 0.000 4.741 4.740 0.002 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 -0.010 0.000 1.341 370 N HN 0.000 nan 8.380 nan 0.000 0.667