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 2onk_1_E DATA FIRST_RESID 32 DATA SEQUENCE NVKLKVFHAG SLTEPMKAFK RAFEEKHPNV EVQTEAAGSA ATIRKVTELG DATA SEQUENCE RKADVIATAD YTLIQKMMYP EFANWTIMFA KNQIVLAYRN DSRYADEINS DATA SEQUENCE QNWYEILKRP DVRFGFSNPN DDPCGYRSLM AIQLAELYYN DPTIFDELVA DATA SEQUENCE KNSNLRFSED NGSYVLRMPS SERIEINKSK IMIRSMEMEL IHLVESGELD DATA SEQUENCE YFFIYKSVAK QHGFNFVELP VEIDLSSPDY AELYSKVKVV LANGKEVTGK DATA SEQUENCE PIVYGITIPK NAENRELAVE FVKLVISEEG QEILRELGQE PLVPPRADTA DATA SEQUENCE VPSLKAMVEV S 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 32 N HA 0.000 nan 4.740 nan 0.000 0.220 32 N C 0.000 175.540 175.510 0.049 0.000 1.280 32 N CA 0.000 53.079 53.050 0.048 0.000 0.885 32 N CB 0.000 38.513 38.487 0.043 0.000 1.341 33 V N 1.822 121.764 119.914 0.046 0.000 2.901 33 V HA -0.241 3.879 4.120 -0.000 0.000 0.290 33 V C 0.688 176.805 176.094 0.037 0.000 1.326 33 V CA 0.805 63.127 62.300 0.038 0.000 1.395 33 V CB -0.091 31.756 31.823 0.039 0.000 0.849 33 V HN 0.229 nan 8.190 nan 0.000 0.504 34 K N 4.264 124.676 120.400 0.019 0.000 2.205 34 K HA 0.530 4.850 4.320 -0.000 0.000 0.279 34 K C -0.500 176.081 176.600 -0.032 0.000 1.027 34 K CA -0.796 55.494 56.287 0.005 0.000 0.932 34 K CB 1.299 33.804 32.500 0.007 0.000 1.032 34 K HN 0.460 nan 8.250 nan 0.000 0.466 35 L N 3.936 125.117 121.223 -0.070 0.000 2.272 35 L HA 0.196 4.536 4.340 -0.000 0.000 0.284 35 L C -0.795 175.947 176.870 -0.212 0.000 1.045 35 L CA -0.094 54.642 54.840 -0.173 0.000 0.842 35 L CB 0.325 42.207 42.059 -0.295 0.000 1.224 35 L HN 0.396 nan 8.230 nan 0.000 0.430 36 K N 4.208 124.494 120.400 -0.191 0.000 2.339 36 K HA 0.462 4.781 4.320 -0.000 0.000 0.286 36 K C -1.032 175.375 176.600 -0.323 0.000 1.050 36 K CA -0.347 55.830 56.287 -0.184 0.000 0.956 36 K CB 1.281 33.679 32.500 -0.170 0.000 0.990 36 K HN 0.371 nan 8.250 nan 0.000 0.475 37 V N 5.602 125.401 119.914 -0.191 0.000 2.439 37 V HA 0.234 4.354 4.120 -0.000 0.000 0.277 37 V C -0.985 175.237 176.094 0.214 0.000 1.008 37 V CA -0.901 61.292 62.300 -0.178 0.000 0.846 37 V CB 0.199 31.798 31.823 -0.373 0.000 1.031 37 V HN 0.530 nan 8.190 nan 0.000 0.441 38 F N 4.219 124.142 119.950 -0.045 0.000 2.396 38 F HA 0.758 5.285 4.527 -0.000 0.000 0.343 38 F C 0.563 176.378 175.800 0.024 0.000 1.104 38 F CA -0.976 56.987 58.000 -0.061 0.000 1.161 38 F CB 0.779 39.726 39.000 -0.087 0.000 1.146 38 F HN 0.810 nan 8.300 nan 0.000 0.522 39 H N -0.711 118.482 119.070 0.206 0.000 3.017 39 H HA 0.781 5.337 4.556 -0.000 0.000 0.346 39 H C -0.936 174.477 175.328 0.142 0.000 1.286 39 H CA -1.390 54.759 56.048 0.167 0.000 1.120 39 H CB 0.482 30.352 29.762 0.179 0.000 1.860 39 H HN 0.747 nan 8.280 nan 0.000 0.542 40 A N 0.260 123.263 122.820 0.305 0.000 2.475 40 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 40 A C 1.723 179.489 177.584 0.303 0.000 1.087 40 A CA 0.303 52.465 52.037 0.207 0.000 0.779 40 A CB -0.707 18.380 19.000 0.144 0.000 1.036 40 A HN 1.153 nan 8.150 nan 0.000 0.506 41 G N -0.479 108.433 108.800 0.187 0.000 2.448 41 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 41 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 41 G C 1.584 176.648 174.900 0.272 0.000 1.135 41 G CA 1.320 46.541 45.100 0.201 0.000 0.784 41 G HN 1.161 nan 8.290 nan 0.000 0.543 42 S N 0.167 116.039 115.700 0.287 0.000 2.470 42 S HA 0.173 4.643 4.470 -0.000 0.000 0.225 42 S C 1.870 176.631 174.600 0.267 0.000 1.006 42 S CA -0.021 58.344 58.200 0.276 0.000 0.934 42 S CB -0.166 63.191 63.200 0.261 0.000 0.778 42 S HN 0.207 nan 8.310 nan 0.000 0.517 43 L N 2.096 123.526 121.223 0.345 0.000 2.693 43 L HA 0.077 4.416 4.340 -0.000 0.000 0.242 43 L C 1.800 178.758 176.870 0.147 0.000 1.157 43 L CA 0.247 55.259 54.840 0.287 0.000 0.929 43 L CB -0.881 41.397 42.059 0.364 0.000 1.103 43 L HN 0.387 nan 8.230 nan 0.000 0.430 44 T N -0.831 113.863 114.554 0.233 0.000 2.668 44 T HA -0.120 4.229 4.350 -0.000 0.000 0.262 44 T C 1.717 176.502 174.700 0.141 0.000 1.045 44 T CA 1.010 63.245 62.100 0.226 0.000 1.152 44 T CB 0.090 69.137 68.868 0.299 0.000 0.864 44 T HN 0.299 nan 8.240 nan 0.000 0.419 45 E N 0.932 121.220 120.200 0.146 0.000 2.023 45 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 45 E C -0.262 176.349 176.600 0.018 0.000 1.003 45 E CA 1.389 57.840 56.400 0.086 0.000 0.809 45 E CB -1.941 27.814 29.700 0.092 0.000 0.755 45 E HN 0.339 nan 8.360 nan 0.000 0.449 46 P HA -0.195 nan 4.420 nan 0.000 0.217 46 P C 1.631 178.867 177.300 -0.108 0.000 1.162 46 P CA 1.640 64.668 63.100 -0.119 0.000 0.901 46 P CB -0.119 31.643 31.700 0.105 0.000 0.793 47 M N -1.291 118.417 119.600 0.179 0.000 2.202 47 M HA -0.199 4.280 4.480 -0.000 0.000 0.262 47 M C 1.906 178.311 176.300 0.175 0.000 1.063 47 M CA 1.722 57.195 55.300 0.287 0.000 1.097 47 M CB -1.136 31.410 32.600 -0.089 0.000 1.382 47 M HN 0.022 nan 8.290 nan 0.000 0.413 48 K N -0.162 120.283 120.400 0.075 0.000 2.026 48 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 48 K C 2.082 178.708 176.600 0.044 0.000 1.048 48 K CA 1.549 57.877 56.287 0.067 0.000 0.929 48 K CB -0.136 32.390 32.500 0.044 0.000 0.713 48 K HN 0.295 nan 8.250 nan 0.000 0.439 49 A N 1.041 123.822 122.820 -0.065 0.000 1.845 49 A HA -0.173 4.146 4.320 -0.000 0.000 0.215 49 A C 1.931 179.480 177.584 -0.059 0.000 1.195 49 A CA 1.502 53.457 52.037 -0.136 0.000 0.616 49 A CB -0.940 17.866 19.000 -0.323 0.000 0.832 49 A HN 0.225 nan 8.150 nan 0.000 0.443 50 F N 0.442 120.430 119.950 0.063 0.000 2.184 50 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 50 F C 2.219 178.161 175.800 0.236 0.000 1.076 50 F CA 1.782 59.831 58.000 0.082 0.000 1.295 50 F CB -0.438 38.595 39.000 0.054 0.000 1.026 50 F HN 0.282 nan 8.300 nan 0.000 0.494 51 K N 1.008 121.639 120.400 0.385 0.000 1.973 51 K HA -0.219 4.100 4.320 -0.000 0.000 0.210 51 K C 2.455 179.226 176.600 0.285 0.000 1.045 51 K CA 1.678 58.164 56.287 0.332 0.000 0.937 51 K CB -0.231 32.395 32.500 0.210 0.000 0.721 51 K HN 0.268 nan 8.250 nan 0.000 0.438 52 R N 0.649 121.258 120.500 0.182 0.000 2.094 52 R HA -0.155 4.184 4.340 -0.000 0.000 0.239 52 R C 2.186 178.580 176.300 0.157 0.000 1.137 52 R CA 1.701 57.885 56.100 0.140 0.000 0.943 52 R CB -0.989 29.359 30.300 0.081 0.000 0.850 52 R HN 0.222 nan 8.270 nan 0.000 0.433 53 A N 1.278 124.189 122.820 0.153 0.000 1.852 53 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 53 A C 2.199 179.908 177.584 0.209 0.000 1.215 53 A CA 1.746 53.870 52.037 0.144 0.000 0.641 53 A CB -1.202 17.877 19.000 0.131 0.000 0.838 53 A HN 0.558 nan 8.150 nan 0.000 0.450 54 F N 0.983 121.040 119.950 0.178 0.000 2.147 54 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 54 F C 2.285 178.236 175.800 0.252 0.000 1.084 54 F CA 2.448 60.587 58.000 0.232 0.000 1.268 54 F CB -0.145 39.053 39.000 0.331 0.000 1.009 54 F HN 0.425 nan 8.300 nan 0.000 0.486 55 E N -0.487 119.919 120.200 0.343 0.000 2.216 55 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 55 E C 1.858 178.513 176.600 0.092 0.000 0.988 55 E CA 0.906 57.439 56.400 0.221 0.000 0.834 55 E CB -0.268 29.566 29.700 0.223 0.000 0.772 55 E HN 0.561 nan 8.360 nan 0.000 0.479 56 E N 0.898 121.144 120.200 0.076 0.000 2.472 56 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 56 E C 1.742 178.319 176.600 -0.038 0.000 1.046 56 E CA 0.692 57.106 56.400 0.024 0.000 0.871 56 E CB 0.253 29.973 29.700 0.033 0.000 0.806 56 E HN -0.101 nan 8.360 nan 0.000 0.533 57 K N -0.768 119.584 120.400 -0.081 0.000 2.350 57 K HA 0.047 4.367 4.320 -0.000 0.000 0.196 57 K C -0.272 176.051 176.600 -0.463 0.000 1.084 57 K CA 0.784 56.925 56.287 -0.243 0.000 0.967 57 K CB 0.435 32.791 32.500 -0.241 0.000 0.950 57 K HN 0.063 nan 8.250 nan 0.000 0.512 58 H N -0.386 118.526 119.070 -0.264 0.000 2.439 58 H HA 0.319 4.875 4.556 -0.000 0.000 0.230 58 H C -2.334 172.957 175.328 -0.062 0.000 1.420 58 H CA -2.145 53.799 56.048 -0.173 0.000 1.305 58 H CB 1.077 30.699 29.762 -0.234 0.000 1.667 58 H HN 0.084 nan 8.280 nan 0.000 0.515 59 P HA -0.176 nan 4.420 nan 0.000 0.228 59 P C 0.256 177.591 177.300 0.058 0.000 1.143 59 P CA 1.402 64.528 63.100 0.043 0.000 0.771 59 P CB -0.132 31.574 31.700 0.010 0.000 0.764 60 N N -3.513 115.233 118.700 0.077 0.000 2.171 60 N HA 0.139 4.879 4.740 -0.000 0.000 0.212 60 N C -0.444 175.122 175.510 0.094 0.000 1.184 60 N CA -0.285 52.809 53.050 0.073 0.000 0.888 60 N CB 0.501 39.024 38.487 0.059 0.000 1.038 60 N HN -0.205 nan 8.380 nan 0.000 0.517 61 V N 0.707 120.700 119.914 0.132 0.000 2.555 61 V HA 0.301 4.420 4.120 -0.000 0.000 0.302 61 V C -0.557 175.630 176.094 0.156 0.000 1.038 61 V CA -0.863 61.526 62.300 0.147 0.000 0.887 61 V CB 1.904 33.849 31.823 0.202 0.000 0.991 61 V HN 0.220 nan 8.190 nan 0.000 0.434 62 E N 2.963 123.228 120.200 0.109 0.000 2.133 62 E HA 0.478 4.828 4.350 -0.000 0.000 0.274 62 E C -1.331 175.302 176.600 0.056 0.000 0.930 62 E CA -0.515 55.940 56.400 0.091 0.000 0.770 62 E CB 1.843 31.580 29.700 0.062 0.000 1.104 62 E HN 0.498 nan 8.360 nan 0.000 0.403 63 V N 5.580 125.527 119.914 0.056 0.000 2.408 63 V HA 0.070 4.189 4.120 -0.000 0.000 0.267 63 V C -0.006 176.066 176.094 -0.037 0.000 1.047 63 V CA -0.217 62.048 62.300 -0.058 0.000 0.937 63 V CB 0.999 32.773 31.823 -0.082 0.000 0.999 63 V HN 0.684 nan 8.190 nan 0.000 0.472 64 Q N 3.604 123.371 119.800 -0.054 0.000 2.421 64 Q HA 0.330 4.670 4.340 -0.000 0.000 0.242 64 Q C 0.469 176.501 176.000 0.053 0.000 1.024 64 Q CA -0.345 55.467 55.803 0.015 0.000 0.891 64 Q CB 1.119 29.880 28.738 0.039 0.000 1.222 64 Q HN 0.887 nan 8.270 nan 0.000 0.483 65 T N -0.037 114.573 114.554 0.093 0.000 2.882 65 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 65 T C 0.019 174.818 174.700 0.166 0.000 1.014 65 T CA -0.645 61.577 62.100 0.204 0.000 1.049 65 T CB 1.240 70.263 68.868 0.259 0.000 1.001 65 T HN 0.557 nan 8.240 nan 0.000 0.525 66 E N 0.382 120.642 120.200 0.099 0.000 2.551 66 E HA 0.449 4.799 4.350 -0.000 0.000 0.321 66 E C -0.792 175.519 176.600 -0.481 0.000 0.975 66 E CA -0.678 55.623 56.400 -0.165 0.000 0.784 66 E CB 1.337 30.881 29.700 -0.259 0.000 1.493 66 E HN 0.993 nan 8.360 nan 0.000 0.385 67 A N 2.342 124.945 122.820 -0.362 0.000 2.498 67 A HA 0.625 4.945 4.320 -0.000 0.000 0.239 67 A C 0.068 177.525 177.584 -0.211 0.000 1.068 67 A CA 0.715 52.559 52.037 -0.322 0.000 0.766 67 A CB 0.367 19.349 19.000 -0.031 0.000 1.003 67 A HN 0.646 nan 8.150 nan 0.000 0.497 68 A N 1.892 124.620 122.820 -0.154 0.000 2.472 68 A HA 0.543 4.863 4.320 -0.000 0.000 0.312 68 A C 0.158 177.716 177.584 -0.043 0.000 1.023 68 A CA -0.112 51.868 52.037 -0.095 0.000 0.938 68 A CB -0.445 18.469 19.000 -0.143 0.000 1.176 68 A HN 2.490 nan 8.150 nan 0.000 0.366 69 G N 2.116 110.908 108.800 -0.014 0.000 2.115 69 G HA2 0.350 4.310 3.960 -0.000 0.000 0.244 69 G HA3 0.350 4.310 3.960 -0.000 0.000 0.244 69 G C 1.133 176.035 174.900 0.003 0.000 1.105 69 G CA 0.685 45.786 45.100 0.002 0.000 0.893 69 G HN 1.496 nan 8.290 nan 0.000 0.443 70 S N 3.066 118.771 115.700 0.007 0.000 2.426 70 S HA -0.394 4.076 4.470 -0.000 0.000 0.259 70 S C 2.878 177.494 174.600 0.026 0.000 1.096 70 S CA 2.322 60.532 58.200 0.017 0.000 1.219 70 S CB -0.718 62.479 63.200 -0.005 0.000 1.124 70 S HN 1.159 nan 8.310 nan 0.000 0.436 71 A N 1.673 124.516 122.820 0.038 0.000 1.869 71 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 71 A C 2.442 180.036 177.584 0.018 0.000 1.203 71 A CA 2.572 54.634 52.037 0.042 0.000 0.638 71 A CB -1.487 17.553 19.000 0.067 0.000 0.831 71 A HN 0.684 nan 8.150 nan 0.000 0.450 72 A N -1.729 121.096 122.820 0.007 0.000 1.865 72 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 72 A C 2.338 179.907 177.584 -0.025 0.000 1.191 72 A CA 2.589 54.617 52.037 -0.016 0.000 0.623 72 A CB -1.559 17.424 19.000 -0.027 0.000 0.826 72 A HN 0.456 nan 8.150 nan 0.000 0.444 73 T N 0.145 114.689 114.554 -0.017 0.000 2.685 73 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 73 T C 1.692 176.432 174.700 0.067 0.000 1.034 73 T CA 1.821 63.924 62.100 0.006 0.000 1.149 73 T CB -0.504 68.380 68.868 0.027 0.000 0.860 73 T HN 0.440 nan 8.240 nan 0.000 0.449 74 I N 0.039 120.631 120.570 0.037 0.000 2.439 74 I HA -0.055 4.115 4.170 -0.000 0.000 0.251 74 I C 2.599 178.697 176.117 -0.031 0.000 1.139 74 I CA 0.930 62.240 61.300 0.018 0.000 1.438 74 I CB -0.300 37.709 38.000 0.015 0.000 1.085 74 I HN 0.077 nan 8.210 nan 0.000 0.427 75 R N 0.993 121.476 120.500 -0.028 0.000 2.241 75 R HA -0.119 4.221 4.340 -0.000 0.000 0.224 75 R C 2.069 178.325 176.300 -0.073 0.000 1.101 75 R CA 0.821 56.887 56.100 -0.057 0.000 0.995 75 R CB -0.115 30.164 30.300 -0.035 0.000 0.870 75 R HN 0.389 nan 8.270 nan 0.000 0.463 76 K N -0.060 120.323 120.400 -0.029 0.000 2.097 76 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 76 K C 1.915 178.513 176.600 -0.002 0.000 1.049 76 K CA 1.166 57.454 56.287 0.001 0.000 0.933 76 K CB 0.101 32.622 32.500 0.034 0.000 0.717 76 K HN 0.014 nan 8.250 nan 0.000 0.442 77 V N 0.920 120.787 119.914 -0.078 0.000 2.535 77 V HA -0.150 3.969 4.120 -0.000 0.000 0.246 77 V C 2.370 177.981 176.094 -0.806 0.000 1.045 77 V CA 2.104 64.214 62.300 -0.317 0.000 1.058 77 V CB -0.140 31.498 31.823 -0.308 0.000 0.689 77 V HN 0.515 nan 8.190 nan 0.000 0.461 78 T N -3.287 110.835 114.554 -0.719 0.000 3.081 78 T HA 0.061 4.410 4.350 -0.000 0.000 0.255 78 T C 1.305 175.849 174.700 -0.260 0.000 1.113 78 T CA 0.737 62.327 62.100 -0.849 0.000 1.082 78 T CB 0.214 68.903 68.868 -0.298 0.000 0.939 78 T HN 0.456 nan 8.240 nan 0.000 0.506 79 E N 0.636 120.738 120.200 -0.164 0.000 2.571 79 E HA 0.300 4.650 4.350 -0.000 0.000 0.204 79 E C 1.609 178.187 176.600 -0.037 0.000 0.851 79 E CA 0.088 56.461 56.400 -0.045 0.000 1.358 79 E CB 0.106 29.791 29.700 -0.024 0.000 1.327 79 E HN 0.395 nan 8.360 nan 0.000 0.665 80 L N 1.481 122.670 121.223 -0.056 0.000 2.660 80 L HA 0.209 4.549 4.340 -0.000 0.000 0.238 80 L C 1.144 178.000 176.870 -0.023 0.000 1.161 80 L CA 0.439 55.258 54.840 -0.035 0.000 0.937 80 L CB -0.816 41.217 42.059 -0.043 0.000 1.122 80 L HN 0.230 nan 8.230 nan 0.000 0.435 81 G N 1.079 109.860 108.800 -0.032 0.000 2.280 81 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.282 81 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.282 81 G C 0.566 175.471 174.900 0.008 0.000 1.000 81 G CA 0.522 45.621 45.100 -0.002 0.000 0.751 81 G HN 0.471 nan 8.290 nan 0.000 0.515 82 R N -0.488 120.017 120.500 0.008 0.000 2.549 82 R HA 0.602 4.942 4.340 -0.000 0.000 0.267 82 R C 0.386 176.707 176.300 0.036 0.000 1.045 82 R CA -0.446 55.691 56.100 0.062 0.000 1.115 82 R CB 0.861 31.252 30.300 0.150 0.000 1.121 82 R HN 0.207 nan 8.270 nan 0.000 0.543 83 K N 0.361 120.777 120.400 0.027 0.000 2.156 83 K HA 0.670 4.989 4.320 -0.000 0.000 0.250 83 K C -0.995 175.475 176.600 -0.216 0.000 0.955 83 K CA -0.713 55.535 56.287 -0.065 0.000 0.855 83 K CB 2.192 34.672 32.500 -0.033 0.000 1.101 83 K HN 0.597 nan 8.250 nan 0.000 0.434 84 A N 1.039 123.633 122.820 -0.378 0.000 2.556 84 A HA 0.370 4.690 4.320 -0.000 0.000 0.294 84 A C -0.675 176.676 177.584 -0.389 0.000 1.091 84 A CA -0.678 50.963 52.037 -0.659 0.000 0.704 84 A CB 1.141 19.391 19.000 -1.250 0.000 1.300 84 A HN 0.745 nan 8.150 nan 0.000 0.406 85 D N -0.482 119.699 120.400 -0.366 0.000 2.338 85 D HA 0.221 4.860 4.640 -0.000 0.000 0.208 85 D C 0.137 176.299 176.300 -0.229 0.000 0.997 85 D CA 1.261 55.117 54.000 -0.240 0.000 0.880 85 D CB 0.723 41.391 40.800 -0.220 0.000 0.980 85 D HN 0.244 nan 8.370 nan 0.000 0.509 86 V N 1.542 121.275 119.914 -0.301 0.000 2.971 86 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 86 V C -0.813 175.157 176.094 -0.206 0.000 1.130 86 V CA -0.810 61.360 62.300 -0.217 0.000 0.964 86 V CB 3.308 34.995 31.823 -0.225 0.000 1.029 86 V HN -0.102 nan 8.190 nan 0.000 0.427 87 I N 2.689 123.191 120.570 -0.113 0.000 2.534 87 I HA 0.776 4.946 4.170 -0.000 0.000 0.288 87 I C -0.122 176.036 176.117 0.069 0.000 1.077 87 I CA -0.414 60.868 61.300 -0.030 0.000 1.051 87 I CB 1.824 39.788 38.000 -0.060 0.000 1.234 87 I HN 0.809 nan 8.210 nan 0.000 0.425 88 A N 4.561 127.484 122.820 0.173 0.000 2.343 88 A HA 0.834 5.154 4.320 -0.000 0.000 0.308 88 A C -0.107 177.638 177.584 0.267 0.000 1.092 88 A CA -0.449 51.760 52.037 0.287 0.000 0.751 88 A CB 1.537 20.745 19.000 0.347 0.000 1.203 88 A HN 0.749 nan 8.150 nan 0.000 0.452 89 T N -1.453 113.228 114.554 0.212 0.000 2.927 89 T HA 0.695 5.045 4.350 -0.000 0.000 0.286 89 T C 0.733 175.287 174.700 -0.243 0.000 1.040 89 T CA 0.068 62.190 62.100 0.037 0.000 1.010 89 T CB 1.754 70.629 68.868 0.012 0.000 1.177 89 T HN 1.338 nan 8.240 nan 0.000 0.546 90 A N -0.156 122.354 122.820 -0.517 0.000 2.238 90 A HA 0.343 4.662 4.320 -0.000 0.000 0.210 90 A C 0.585 177.775 177.584 -0.656 0.000 1.179 90 A CA 0.234 51.482 52.037 -1.315 0.000 0.827 90 A CB -0.374 18.050 19.000 -0.959 0.000 0.856 90 A HN 0.797 nan 8.150 nan 0.000 0.488 91 D N -1.029 119.210 120.400 -0.269 0.000 2.402 91 D HA 0.285 4.925 4.640 -0.000 0.000 0.252 91 D C 0.550 176.812 176.300 -0.065 0.000 1.294 91 D CA -0.752 53.188 54.000 -0.100 0.000 0.948 91 D CB 0.377 41.173 40.800 -0.006 0.000 1.202 91 D HN 0.295 nan 8.370 nan 0.000 0.561 92 Y N 1.949 122.223 120.300 -0.043 0.000 2.315 92 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 92 Y C 1.912 177.807 175.900 -0.009 0.000 1.154 92 Y CA 1.741 59.839 58.100 -0.003 0.000 1.229 92 Y CB -0.909 37.564 38.460 0.021 0.000 0.980 92 Y HN 0.279 nan 8.280 nan 0.000 0.540 93 T N -1.337 112.742 114.554 -0.792 0.000 2.821 93 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 93 T C 1.831 176.364 174.700 -0.278 0.000 1.046 93 T CA 1.319 63.048 62.100 -0.618 0.000 1.139 93 T CB -0.903 67.578 68.868 -0.645 0.000 0.871 93 T HN 0.500 nan 8.240 nan 0.000 0.454 94 L N 0.268 121.389 121.223 -0.169 0.000 2.081 94 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 94 L C 2.758 179.591 176.870 -0.062 0.000 1.080 94 L CA 1.444 56.237 54.840 -0.079 0.000 0.754 94 L CB -0.649 41.406 42.059 -0.007 0.000 0.893 94 L HN 0.296 nan 8.230 nan 0.000 0.433 95 I N -0.644 119.901 120.570 -0.041 0.000 2.091 95 I HA -0.388 3.782 4.170 -0.000 0.000 0.239 95 I C 2.693 178.770 176.117 -0.066 0.000 1.061 95 I CA 1.580 62.889 61.300 0.015 0.000 1.317 95 I CB -0.348 37.701 38.000 0.082 0.000 1.031 95 I HN 0.377 nan 8.210 nan 0.000 0.401 96 Q N 0.835 120.436 119.800 -0.332 0.000 1.985 96 Q HA -0.266 4.074 4.340 -0.000 0.000 0.207 96 Q C 2.088 177.853 176.000 -0.391 0.000 0.996 96 Q CA 1.744 57.031 55.803 -0.860 0.000 0.851 96 Q CB -0.330 27.964 28.738 -0.740 0.000 0.921 96 Q HN 0.447 nan 8.270 nan 0.000 0.418 97 K N -0.279 119.980 120.400 -0.234 0.000 2.520 97 K HA -0.098 4.222 4.320 -0.000 0.000 0.197 97 K C 1.370 177.946 176.600 -0.040 0.000 1.043 97 K CA 0.956 57.170 56.287 -0.122 0.000 0.944 97 K CB 0.072 32.502 32.500 -0.117 0.000 0.770 97 K HN 0.288 nan 8.250 nan 0.000 0.480 98 M N -1.729 117.870 119.600 -0.003 0.000 2.231 98 M HA 0.202 4.682 4.480 -0.000 0.000 0.347 98 M C 1.016 177.414 176.300 0.163 0.000 0.901 98 M CA 0.163 55.504 55.300 0.067 0.000 1.064 98 M CB 0.872 33.499 32.600 0.044 0.000 1.861 98 M HN 0.023 nan 8.290 nan 0.000 0.638 99 M N -1.108 118.630 119.600 0.230 0.000 2.260 99 M HA 0.250 4.730 4.480 -0.000 0.000 0.326 99 M C -0.780 175.752 176.300 0.386 0.000 0.930 99 M CA 0.016 55.521 55.300 0.341 0.000 1.051 99 M CB 1.141 33.919 32.600 0.296 0.000 1.748 99 M HN -0.058 nan 8.290 nan 0.000 0.606 100 Y N 2.545 122.875 120.300 0.049 0.000 2.316 100 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 100 Y C -1.468 174.436 175.900 0.007 0.000 1.083 100 Y CA -2.326 55.791 58.100 0.028 0.000 1.206 100 Y CB 0.025 38.506 38.460 0.035 0.000 1.195 100 Y HN 0.075 nan 8.280 nan 0.000 0.497 101 P HA 0.145 nan 4.420 nan 0.000 0.290 101 P C 0.657 177.898 177.300 -0.098 0.000 1.447 101 P CA 0.132 63.210 63.100 -0.036 0.000 1.127 101 P CB 0.678 32.360 31.700 -0.029 0.000 1.555 102 E N 0.322 120.445 120.200 -0.128 0.000 2.028 102 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 102 E C 0.677 177.031 176.600 -0.410 0.000 0.988 102 E CA 1.257 57.459 56.400 -0.329 0.000 0.799 102 E CB -0.246 29.148 29.700 -0.510 0.000 0.755 102 E HN 0.096 nan 8.360 nan 0.000 0.447 103 F N -0.172 119.772 119.950 -0.010 0.000 2.727 103 F HA 0.450 4.977 4.527 -0.000 0.000 0.302 103 F C 0.499 176.253 175.800 -0.077 0.000 1.097 103 F CA 0.425 58.406 58.000 -0.031 0.000 1.330 103 F CB 1.029 40.023 39.000 -0.010 0.000 1.084 103 F HN 0.100 nan 8.300 nan 0.000 0.578 104 A N 0.626 123.447 122.820 0.002 0.000 2.456 104 A HA 0.486 4.806 4.320 -0.000 0.000 0.294 104 A C -0.512 176.803 177.584 -0.448 0.000 1.057 104 A CA -0.231 51.703 52.037 -0.172 0.000 0.623 104 A CB 0.233 19.132 19.000 -0.168 0.000 1.338 104 A HN 0.244 nan 8.150 nan 0.000 0.464 105 N N -1.007 117.330 118.700 -0.606 0.000 2.127 105 N HA 0.166 4.906 4.740 -0.000 0.000 0.229 105 N C -0.588 174.670 175.510 -0.420 0.000 1.374 105 N CA 0.016 52.540 53.050 -0.877 0.000 0.763 105 N CB 0.855 39.149 38.487 -0.321 0.000 1.269 105 N HN 1.167 nan 8.380 nan 0.000 0.516 106 W N 0.867 122.023 121.300 -0.241 0.000 3.624 106 W HA 0.515 5.175 4.660 -0.000 0.000 0.312 106 W C -2.051 174.600 176.519 0.219 0.000 1.203 106 W CA -0.605 56.788 57.345 0.081 0.000 1.225 106 W CB 0.794 30.268 29.460 0.024 0.000 1.321 106 W HN -0.292 nan 8.180 nan 0.000 0.506 107 T N 4.038 118.930 114.554 0.564 0.000 2.887 107 T HA 0.685 5.034 4.350 -0.000 0.000 0.288 107 T C -0.498 174.475 174.700 0.455 0.000 1.021 107 T CA -0.674 61.668 62.100 0.404 0.000 1.000 107 T CB 2.329 71.413 68.868 0.360 0.000 1.034 107 T HN 0.365 nan 8.240 nan 0.000 0.467 108 I N 2.769 123.582 120.570 0.403 0.000 2.439 108 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 108 I C -0.727 175.554 176.117 0.273 0.000 1.021 108 I CA -0.920 60.581 61.300 0.335 0.000 1.091 108 I CB 1.749 39.986 38.000 0.396 0.000 1.242 108 I HN 0.430 nan 8.210 nan 0.000 0.439 109 M N 6.689 126.350 119.600 0.103 0.000 2.219 109 M HA 0.166 4.646 4.480 -0.000 0.000 0.353 109 M C 0.307 176.685 176.300 0.130 0.000 1.304 109 M CA 0.502 55.805 55.300 0.005 0.000 1.115 109 M CB 0.026 32.510 32.600 -0.193 0.000 1.664 109 M HN 0.583 nan 8.290 nan 0.000 0.459 110 F N -0.053 119.927 119.950 0.050 0.000 2.915 110 F HA 0.860 5.387 4.527 -0.000 0.000 0.347 110 F C -0.106 175.701 175.800 0.013 0.000 1.104 110 F CA -0.428 57.589 58.000 0.029 0.000 1.126 110 F CB -0.016 38.994 39.000 0.017 0.000 1.145 110 F HN 0.547 nan 8.300 nan 0.000 0.541 111 A N 0.573 123.133 122.820 -0.435 0.000 2.586 111 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 111 A C -1.423 176.009 177.584 -0.253 0.000 1.062 111 A CA -1.009 50.814 52.037 -0.356 0.000 0.666 111 A CB 1.394 20.049 19.000 -0.575 0.000 1.281 111 A HN 0.211 nan 8.150 nan 0.000 0.421 112 K N 0.303 120.583 120.400 -0.200 0.000 2.378 112 K HA 0.747 5.067 4.320 -0.000 0.000 0.244 112 K C -0.906 175.641 176.600 -0.089 0.000 1.039 112 K CA -1.053 55.202 56.287 -0.052 0.000 0.863 112 K CB 1.962 34.457 32.500 -0.008 0.000 1.326 112 K HN 0.631 nan 8.250 nan 0.000 0.460 113 N N 0.424 119.148 118.700 0.040 0.000 3.020 113 N HA 0.162 4.902 4.740 -0.000 0.000 0.248 113 N C -1.965 173.606 175.510 0.101 0.000 1.480 113 N CA -0.498 52.575 53.050 0.040 0.000 0.874 113 N CB 2.452 40.955 38.487 0.026 0.000 1.433 113 N HN 0.557 nan 8.380 nan 0.000 0.530 114 Q N 1.094 120.964 119.800 0.117 0.000 2.372 114 Q HA 0.476 4.816 4.340 -0.000 0.000 0.273 114 Q C -1.227 174.799 176.000 0.042 0.000 1.078 114 Q CA -0.678 55.158 55.803 0.054 0.000 0.806 114 Q CB 1.715 30.449 28.738 -0.008 0.000 1.332 114 Q HN 0.479 nan 8.270 nan 0.000 0.435 115 I N 4.191 124.724 120.570 -0.062 0.000 2.315 115 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 115 I C 0.292 176.303 176.117 -0.176 0.000 1.006 115 I CA -0.269 60.939 61.300 -0.154 0.000 1.265 115 I CB 0.763 38.645 38.000 -0.197 0.000 1.387 115 I HN 0.492 nan 8.210 nan 0.000 0.475 116 V N 5.748 125.527 119.914 -0.224 0.000 3.155 116 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 116 V C -1.149 174.775 176.094 -0.282 0.000 1.162 116 V CA -1.028 61.130 62.300 -0.237 0.000 1.048 116 V CB 2.562 34.194 31.823 -0.319 0.000 1.092 116 V HN 0.444 nan 8.190 nan 0.000 0.447 117 L N 2.923 123.961 121.223 -0.309 0.000 2.277 117 L HA 0.888 5.228 4.340 -0.000 0.000 0.284 117 L C 0.359 177.125 176.870 -0.174 0.000 1.028 117 L CA 0.103 54.660 54.840 -0.472 0.000 0.835 117 L CB 0.145 41.795 42.059 -0.682 0.000 1.215 117 L HN 1.185 nan 8.230 nan 0.000 0.425 118 A N 5.042 127.709 122.820 -0.254 0.000 2.252 118 A HA 0.850 5.169 4.320 -0.000 0.000 0.305 118 A C -1.006 176.945 177.584 0.613 0.000 1.097 118 A CA -0.096 51.993 52.037 0.086 0.000 0.849 118 A CB 0.668 19.346 19.000 -0.536 0.000 1.142 118 A HN 0.858 nan 8.150 nan 0.000 0.499 119 Y N -2.386 118.143 120.300 0.381 0.000 2.925 119 Y HA 0.681 5.230 4.550 -0.000 0.000 0.349 119 Y C -0.702 175.461 175.900 0.439 0.000 1.342 119 Y CA -1.602 56.714 58.100 0.359 0.000 1.093 119 Y CB 0.657 39.231 38.460 0.189 0.000 1.571 119 Y HN 0.630 nan 8.280 nan 0.000 0.438 120 R N 0.611 121.213 120.500 0.170 0.000 2.828 120 R HA 0.385 4.725 4.340 -0.000 0.000 0.264 120 R C 0.302 176.538 176.300 -0.107 0.000 1.022 120 R CA -0.903 55.223 56.100 0.044 0.000 1.021 120 R CB 0.919 31.275 30.300 0.094 0.000 1.163 120 R HN 0.666 nan 8.270 nan 0.000 0.494 121 N N 1.743 120.381 118.700 -0.103 0.000 2.091 121 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 121 N C 0.904 176.407 175.510 -0.012 0.000 1.021 121 N CA 2.068 55.072 53.050 -0.077 0.000 0.862 121 N CB -0.122 38.332 38.487 -0.054 0.000 1.018 121 N HN 0.666 nan 8.380 nan 0.000 0.429 122 D N 0.261 120.655 120.400 -0.011 0.000 2.234 122 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 122 D C 0.263 176.554 176.300 -0.014 0.000 0.962 122 D CA 0.112 54.107 54.000 -0.010 0.000 0.855 122 D CB -0.503 40.285 40.800 -0.021 0.000 0.951 122 D HN -0.137 nan 8.370 nan 0.000 0.500 123 S N 0.832 116.528 115.700 -0.007 0.000 2.631 123 S HA -0.116 4.354 4.470 -0.000 0.000 0.311 123 S C 0.397 174.952 174.600 -0.075 0.000 1.254 123 S CA -0.096 58.059 58.200 -0.075 0.000 1.039 123 S CB 0.227 63.349 63.200 -0.131 0.000 0.753 123 S HN 0.220 nan 8.310 nan 0.000 0.494 124 R N 2.096 122.500 120.500 -0.161 0.000 2.549 124 R HA -0.067 4.273 4.340 -0.000 0.000 0.336 124 R C -0.379 175.868 176.300 -0.088 0.000 0.891 124 R CA 0.504 56.427 56.100 -0.295 0.000 1.102 124 R CB -0.579 29.552 30.300 -0.281 0.000 0.899 124 R HN 0.744 nan 8.270 nan 0.000 0.407 125 Y N -0.877 119.508 120.300 0.141 0.000 4.366 125 Y HA -0.296 4.254 4.550 -0.000 0.000 0.236 125 Y C 1.341 177.381 175.900 0.233 0.000 1.142 125 Y CA 0.371 58.567 58.100 0.160 0.000 2.024 125 Y CB -2.325 36.221 38.460 0.143 0.000 1.621 125 Y HN 0.790 nan 8.280 nan 0.000 0.694 126 A N -0.816 122.224 122.820 0.367 0.000 2.234 126 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 126 A C 1.665 179.480 177.584 0.385 0.000 1.167 126 A CA 2.038 54.391 52.037 0.526 0.000 0.698 126 A CB -0.335 18.920 19.000 0.426 0.000 0.779 126 A HN 0.611 nan 8.150 nan 0.000 0.475 127 D N -0.217 120.340 120.400 0.262 0.000 2.232 127 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 127 D C 2.041 178.436 176.300 0.157 0.000 0.982 127 D CA 1.309 55.418 54.000 0.182 0.000 0.892 127 D CB -0.449 40.435 40.800 0.139 0.000 1.040 127 D HN 0.763 nan 8.370 nan 0.000 0.463 128 E N 0.785 121.078 120.200 0.154 0.000 2.338 128 E HA -0.093 4.256 4.350 -0.000 0.000 0.197 128 E C 0.801 177.435 176.600 0.057 0.000 1.007 128 E CA 0.145 56.597 56.400 0.088 0.000 0.849 128 E CB 0.025 29.759 29.700 0.058 0.000 0.774 128 E HN 0.294 nan 8.360 nan 0.000 0.506 129 I N 2.527 123.152 120.570 0.092 0.000 2.754 129 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 129 I C -0.069 176.061 176.117 0.022 0.000 1.166 129 I CA 0.219 61.525 61.300 0.010 0.000 1.417 129 I CB 0.296 38.257 38.000 -0.065 0.000 1.382 129 I HN 0.336 nan 8.210 nan 0.000 0.588 130 N N 1.969 120.673 118.700 0.006 0.000 3.339 130 N HA 0.035 4.775 4.740 -0.000 0.000 0.275 130 N C -0.177 175.402 175.510 0.114 0.000 1.514 130 N CA -0.346 52.732 53.050 0.048 0.000 0.879 130 N CB 0.859 39.375 38.487 0.048 0.000 1.557 130 N HN 0.433 nan 8.380 nan 0.000 0.524 131 S N -1.215 114.568 115.700 0.139 0.000 2.584 131 S HA -0.109 4.360 4.470 -0.000 0.000 0.240 131 S C 1.058 175.890 174.600 0.386 0.000 0.975 131 S CA 1.092 59.440 58.200 0.247 0.000 0.949 131 S CB -0.222 63.079 63.200 0.168 0.000 0.761 131 S HN 0.543 nan 8.310 nan 0.000 0.536 132 Q N 1.209 121.142 119.800 0.221 0.000 2.369 132 Q HA 0.232 4.572 4.340 -0.000 0.000 0.254 132 Q C 1.620 177.499 176.000 -0.201 0.000 0.858 132 Q CA 0.665 56.550 55.803 0.137 0.000 0.961 132 Q CB 0.199 28.997 28.738 0.100 0.000 1.119 132 Q HN 0.727 nan 8.270 nan 0.000 0.538 133 N N -0.286 118.282 118.700 -0.221 0.000 2.282 133 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 133 N C 1.492 176.692 175.510 -0.517 0.000 1.099 133 N CA 0.276 53.051 53.050 -0.459 0.000 0.878 133 N CB -0.604 37.718 38.487 -0.276 0.000 0.993 133 N HN 0.376 nan 8.380 nan 0.000 0.481 134 W N 2.740 123.834 121.300 -0.344 0.000 2.280 134 W HA -0.369 4.291 4.660 -0.000 0.000 0.332 134 W C 1.658 177.975 176.519 -0.337 0.000 1.300 134 W CA 1.593 58.723 57.345 -0.358 0.000 1.274 134 W CB -1.715 27.579 29.460 -0.277 0.000 1.141 134 W HN 0.166 nan 8.180 nan 0.000 0.474 135 Y N 1.070 120.503 120.300 -1.446 0.000 2.403 135 Y HA -0.047 4.502 4.550 -0.000 0.000 0.291 135 Y C 2.210 177.721 175.900 -0.648 0.000 1.143 135 Y CA 1.735 59.025 58.100 -1.350 0.000 1.257 135 Y CB -1.129 36.158 38.460 -1.954 0.000 0.984 135 Y HN -0.045 nan 8.280 nan 0.000 0.550 136 E N 0.803 120.457 120.200 -0.911 0.000 2.060 136 E HA -0.070 4.280 4.350 -0.000 0.000 0.189 136 E C 2.277 178.679 176.600 -0.330 0.000 0.974 136 E CA 0.724 56.778 56.400 -0.577 0.000 0.808 136 E CB -0.119 29.195 29.700 -0.643 0.000 0.768 136 E HN 0.429 nan 8.360 nan 0.000 0.453 137 I N 1.724 122.102 120.570 -0.319 0.000 2.091 137 I HA -0.296 3.874 4.170 -0.000 0.000 0.239 137 I C 2.548 178.629 176.117 -0.059 0.000 1.061 137 I CA 1.241 62.426 61.300 -0.191 0.000 1.317 137 I CB -1.443 36.451 38.000 -0.176 0.000 1.031 137 I HN 0.128 nan 8.210 nan 0.000 0.401 138 L N 0.091 121.259 121.223 -0.092 0.000 2.263 138 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 138 L C 2.413 179.347 176.870 0.106 0.000 1.111 138 L CA 1.227 56.082 54.840 0.025 0.000 0.773 138 L CB -0.675 41.264 42.059 -0.200 0.000 0.906 138 L HN 0.340 nan 8.230 nan 0.000 0.439 139 K N 0.086 120.489 120.400 0.004 0.000 2.155 139 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 139 K C 0.630 177.267 176.600 0.062 0.000 1.052 139 K CA 0.155 56.463 56.287 0.036 0.000 0.948 139 K CB 0.017 32.498 32.500 -0.032 0.000 0.728 139 K HN 0.289 nan 8.250 nan 0.000 0.448 140 R N 2.156 122.681 120.500 0.041 0.000 2.494 140 R HA -0.058 4.281 4.340 -0.000 0.000 0.291 140 R C -1.644 174.730 176.300 0.124 0.000 0.953 140 R CA -0.664 55.473 56.100 0.063 0.000 1.098 140 R CB -0.010 30.327 30.300 0.061 0.000 0.911 140 R HN 0.126 nan 8.270 nan 0.000 0.407 141 P HA -0.217 nan 4.420 nan 0.000 0.219 141 P C 0.216 177.578 177.300 0.104 0.000 1.146 141 P CA 1.497 64.652 63.100 0.091 0.000 0.808 141 P CB 0.152 31.890 31.700 0.063 0.000 0.779 142 D N -0.498 119.981 120.400 0.132 0.000 2.340 142 D HA 0.024 4.663 4.640 -0.000 0.000 0.220 142 D C 0.504 176.894 176.300 0.151 0.000 1.039 142 D CA 0.041 54.117 54.000 0.126 0.000 0.866 142 D CB -0.215 40.665 40.800 0.135 0.000 0.913 142 D HN 0.060 nan 8.370 nan 0.000 0.523 143 V N 1.019 121.061 119.914 0.213 0.000 2.481 143 V HA 0.382 4.502 4.120 -0.000 0.000 0.286 143 V C 0.345 176.587 176.094 0.247 0.000 1.042 143 V CA -0.833 61.626 62.300 0.264 0.000 0.928 143 V CB 1.511 33.571 31.823 0.394 0.000 0.986 143 V HN -0.018 nan 8.190 nan 0.000 0.462 144 R N 4.297 124.917 120.500 0.199 0.000 2.494 144 R HA 0.726 5.066 4.340 -0.000 0.000 0.305 144 R C -1.118 175.320 176.300 0.230 0.000 0.959 144 R CA -0.366 55.805 56.100 0.118 0.000 0.864 144 R CB 1.917 32.223 30.300 0.010 0.000 1.159 144 R HN 0.734 nan 8.270 nan 0.000 0.446 145 F N -1.059 118.987 119.950 0.161 0.000 2.613 145 F HA 0.905 5.432 4.527 -0.000 0.000 0.314 145 F C -0.372 175.536 175.800 0.179 0.000 1.075 145 F CA -1.156 56.969 58.000 0.208 0.000 0.945 145 F CB 1.767 40.935 39.000 0.280 0.000 1.310 145 F HN 0.549 nan 8.300 nan 0.000 0.467 146 G N 0.514 109.526 108.800 0.353 0.000 2.680 146 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 146 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 146 G C -2.170 173.022 174.900 0.486 0.000 1.355 146 G CA -0.994 44.194 45.100 0.146 0.000 0.903 146 G HN 1.162 nan 8.290 nan 0.000 0.474 147 F N -0.761 119.330 119.950 0.234 0.000 2.672 147 F HA 0.698 5.225 4.527 -0.000 0.000 0.311 147 F C 0.124 175.975 175.800 0.084 0.000 1.113 147 F CA -1.271 56.860 58.000 0.217 0.000 0.996 147 F CB 0.692 39.861 39.000 0.281 0.000 1.286 147 F HN 0.725 nan 8.300 nan 0.000 0.441 148 S N 0.826 116.668 115.700 0.237 0.000 2.598 148 S HA 0.130 4.600 4.470 -0.000 0.000 0.256 148 S C -0.232 174.474 174.600 0.178 0.000 1.350 148 S CA -0.368 57.895 58.200 0.105 0.000 0.984 148 S CB 0.377 63.603 63.200 0.043 0.000 0.930 148 S HN 0.944 nan 8.310 nan 0.000 0.577 149 N N 0.922 119.672 118.700 0.084 0.000 2.408 149 N HA 0.309 5.049 4.740 -0.000 0.000 0.257 149 N C -2.003 173.575 175.510 0.113 0.000 1.064 149 N CA -1.933 51.178 53.050 0.101 0.000 0.952 149 N CB 0.999 39.510 38.487 0.041 0.000 1.093 149 N HN 0.239 nan 8.380 nan 0.000 0.490 150 P HA -0.188 nan 4.420 nan 0.000 0.216 150 P C 0.536 177.964 177.300 0.214 0.000 1.153 150 P CA 1.161 64.390 63.100 0.216 0.000 0.858 150 P CB 0.186 32.006 31.700 0.200 0.000 0.789 151 N N -0.905 117.869 118.700 0.124 0.000 2.364 151 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 151 N C 0.950 176.509 175.510 0.082 0.000 1.022 151 N CA 1.191 54.294 53.050 0.089 0.000 0.883 151 N CB -0.352 38.165 38.487 0.049 0.000 0.965 151 N HN 0.257 nan 8.380 nan 0.000 0.438 152 D N -0.336 120.107 120.400 0.072 0.000 2.615 152 D HA 0.016 4.655 4.640 -0.000 0.000 0.259 152 D C 0.026 176.348 176.300 0.036 0.000 0.999 152 D CA 0.541 54.567 54.000 0.043 0.000 0.938 152 D CB 0.169 40.980 40.800 0.018 0.000 1.121 152 D HN 0.091 nan 8.370 nan 0.000 0.487 153 D N -0.566 119.841 120.400 0.011 0.000 2.362 153 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 153 D C -1.981 174.151 176.300 -0.280 0.000 1.050 153 D CA -2.279 51.683 54.000 -0.063 0.000 0.839 153 D CB 2.784 43.560 40.800 -0.041 0.000 1.283 153 D HN -0.293 nan 8.370 nan 0.000 0.477 154 P HA -0.109 nan 4.420 nan 0.000 0.215 154 P C 1.452 178.208 177.300 -0.907 0.000 1.153 154 P CA 0.680 63.107 63.100 -1.121 0.000 0.853 154 P CB 0.132 31.553 31.700 -0.466 0.000 0.788 155 C N -0.561 118.498 119.300 -0.402 0.000 2.403 155 C HA -0.072 4.388 4.460 -0.000 0.000 0.282 155 C C 2.787 177.558 174.990 -0.365 0.000 1.297 155 C CA 1.629 60.360 59.018 -0.479 0.000 1.785 155 C CB -1.983 25.405 27.740 -0.586 0.000 1.963 155 C HN 0.260 nan 8.230 nan 0.000 0.507 156 G N -0.173 108.454 108.800 -0.287 0.000 2.453 156 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 156 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 156 G C 1.279 176.134 174.900 -0.075 0.000 1.201 156 G CA 1.257 46.308 45.100 -0.082 0.000 0.784 156 G HN 0.744 nan 8.290 nan 0.000 0.545 157 Y N 0.222 120.499 120.300 -0.038 0.000 2.439 157 Y HA 0.268 4.818 4.550 -0.000 0.000 0.292 157 Y C 2.692 178.532 175.900 -0.099 0.000 1.130 157 Y CA 0.526 58.586 58.100 -0.067 0.000 1.254 157 Y CB -0.480 37.952 38.460 -0.047 0.000 1.000 157 Y HN 0.029 nan 8.280 nan 0.000 0.554 158 R N 0.540 120.970 120.500 -0.116 0.000 2.115 158 R HA -0.083 4.256 4.340 -0.000 0.000 0.230 158 R C 2.303 178.479 176.300 -0.207 0.000 1.111 158 R CA 1.309 57.340 56.100 -0.115 0.000 0.976 158 R CB -0.278 29.898 30.300 -0.207 0.000 0.870 158 R HN 0.336 nan 8.270 nan 0.000 0.445 159 S N 1.167 116.702 115.700 -0.274 0.000 2.348 159 S HA -0.075 4.395 4.470 -0.000 0.000 0.221 159 S C 1.946 176.244 174.600 -0.504 0.000 1.033 159 S CA 1.017 58.951 58.200 -0.443 0.000 1.010 159 S CB -0.174 62.802 63.200 -0.373 0.000 0.891 159 S HN 0.206 nan 8.310 nan 0.000 0.442 160 L N 0.726 121.746 121.223 -0.338 0.000 2.083 160 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 160 L C 2.547 179.412 176.870 -0.009 0.000 1.083 160 L CA 1.101 55.851 54.840 -0.151 0.000 0.752 160 L CB -0.529 41.485 42.059 -0.075 0.000 0.899 160 L HN 0.347 nan 8.230 nan 0.000 0.433 161 M N -0.503 119.090 119.600 -0.013 0.000 2.065 161 M HA -0.229 4.251 4.480 -0.000 0.000 0.259 161 M C 2.563 178.777 176.300 -0.143 0.000 1.069 161 M CA 2.106 57.394 55.300 -0.021 0.000 1.110 161 M CB -0.499 32.095 32.600 -0.010 0.000 1.328 161 M HN 0.323 nan 8.290 nan 0.000 0.405 162 A N 0.377 123.082 122.820 -0.193 0.000 1.940 162 A HA -0.177 4.142 4.320 -0.000 0.000 0.219 162 A C 2.035 179.559 177.584 -0.100 0.000 1.176 162 A CA 1.667 53.588 52.037 -0.192 0.000 0.631 162 A CB -1.044 17.797 19.000 -0.264 0.000 0.814 162 A HN 0.517 nan 8.150 nan 0.000 0.446 163 I N -1.048 119.449 120.570 -0.122 0.000 2.315 163 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 163 I C 2.715 178.879 176.117 0.077 0.000 1.117 163 I CA 1.656 63.009 61.300 0.088 0.000 1.404 163 I CB -0.218 37.859 38.000 0.128 0.000 1.071 163 I HN 0.406 nan 8.210 nan 0.000 0.419 164 Q N 1.430 121.152 119.800 -0.130 0.000 2.083 164 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 164 Q C 2.104 177.867 176.000 -0.395 0.000 0.969 164 Q CA 1.603 57.134 55.803 -0.453 0.000 0.838 164 Q CB -0.385 27.724 28.738 -1.048 0.000 0.900 164 Q HN 0.460 nan 8.270 nan 0.000 0.436 165 L N 0.051 121.110 121.223 -0.273 0.000 2.261 165 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 165 L C 2.211 179.062 176.870 -0.033 0.000 1.114 165 L CA 0.907 55.653 54.840 -0.156 0.000 0.777 165 L CB -0.603 41.408 42.059 -0.080 0.000 0.910 165 L HN 0.310 nan 8.230 nan 0.000 0.440 166 A N -0.485 122.362 122.820 0.044 0.000 1.968 166 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 166 A C 2.163 179.833 177.584 0.142 0.000 1.169 166 A CA 1.148 53.326 52.037 0.236 0.000 0.638 166 A CB -0.288 18.935 19.000 0.371 0.000 0.812 166 A HN 0.400 nan 8.150 nan 0.000 0.446 167 E N -0.226 119.944 120.200 -0.051 0.000 2.118 167 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 167 E C 1.720 178.281 176.600 -0.064 0.000 0.992 167 E CA 1.187 57.523 56.400 -0.108 0.000 0.804 167 E CB -0.213 29.365 29.700 -0.203 0.000 0.741 167 E HN 0.661 nan 8.360 nan 0.000 0.458 168 L N -0.661 120.522 121.223 -0.068 0.000 2.341 168 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 168 L C 2.196 179.072 176.870 0.011 0.000 1.115 168 L CA 0.432 55.259 54.840 -0.022 0.000 0.820 168 L CB -0.167 41.882 42.059 -0.017 0.000 0.944 168 L HN 0.162 nan 8.230 nan 0.000 0.452 169 Y N -0.666 119.567 120.300 -0.111 0.000 2.448 169 Y HA -0.114 4.435 4.550 -0.000 0.000 0.289 169 Y C 1.581 177.291 175.900 -0.316 0.000 1.114 169 Y CA 1.137 59.099 58.100 -0.228 0.000 1.235 169 Y CB 0.177 38.423 38.460 -0.356 0.000 1.045 169 Y HN 0.050 nan 8.280 nan 0.000 0.554 170 Y N -0.125 120.148 120.300 -0.045 0.000 2.467 170 Y HA 0.192 4.742 4.550 -0.000 0.000 0.250 170 Y C 0.761 176.585 175.900 -0.126 0.000 1.155 170 Y CA -0.070 57.963 58.100 -0.112 0.000 1.249 170 Y CB -0.291 38.097 38.460 -0.119 0.000 1.146 170 Y HN 0.082 nan 8.280 nan 0.000 0.524 171 N N 1.958 120.653 118.700 -0.008 0.000 2.714 171 N HA -0.232 4.508 4.740 -0.000 0.000 0.253 171 N C -1.338 174.169 175.510 -0.005 0.000 1.024 171 N CA 0.899 53.938 53.050 -0.019 0.000 0.726 171 N CB -0.889 37.576 38.487 -0.035 0.000 0.908 171 N HN 0.351 nan 8.380 nan 0.000 0.542 172 D N -0.176 120.208 120.400 -0.026 0.000 2.363 172 D HA 0.257 4.897 4.640 -0.000 0.000 0.258 172 D C -2.199 174.064 176.300 -0.062 0.000 1.259 172 D CA -1.635 52.334 54.000 -0.052 0.000 0.921 172 D CB 1.076 41.800 40.800 -0.125 0.000 1.201 172 D HN 0.159 nan 8.370 nan 0.000 0.524 173 P HA -0.067 nan 4.420 nan 0.000 0.261 173 P C 0.916 178.223 177.300 0.012 0.000 1.297 173 P CA 0.629 63.728 63.100 -0.002 0.000 0.757 173 P CB -0.121 31.598 31.700 0.031 0.000 1.149 174 T N -4.670 109.877 114.554 -0.011 0.000 2.999 174 T HA 0.097 4.447 4.350 -0.000 0.000 0.247 174 T C 1.849 176.548 174.700 -0.001 0.000 1.012 174 T CA -0.033 62.071 62.100 0.008 0.000 1.048 174 T CB -0.841 68.029 68.868 0.004 0.000 1.020 174 T HN -0.079 nan 8.240 nan 0.000 0.478 175 I N 0.979 121.504 120.570 -0.074 0.000 2.151 175 I HA -0.255 3.915 4.170 -0.000 0.000 0.236 175 I C 2.219 178.345 176.117 0.016 0.000 1.000 175 I CA 2.389 63.625 61.300 -0.107 0.000 1.285 175 I CB -0.714 37.102 38.000 -0.306 0.000 0.994 175 I HN 0.187 nan 8.210 nan 0.000 0.396 176 F N 1.647 121.552 119.950 -0.074 0.000 2.269 176 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 176 F C 2.152 177.977 175.800 0.041 0.000 1.082 176 F CA 1.609 59.607 58.000 -0.005 0.000 1.360 176 F CB -0.323 38.684 39.000 0.013 0.000 1.041 176 F HN 0.147 nan 8.300 nan 0.000 0.512 177 D N -0.091 120.364 120.400 0.091 0.000 2.120 177 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 177 D C 2.048 178.335 176.300 -0.021 0.000 0.972 177 D CA 1.056 55.076 54.000 0.033 0.000 0.837 177 D CB -0.309 40.540 40.800 0.081 0.000 0.989 177 D HN 0.340 nan 8.370 nan 0.000 0.469 178 E N 0.575 120.776 120.200 0.001 0.000 2.150 178 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 178 E C 2.287 178.908 176.600 0.034 0.000 0.985 178 E CA 0.387 56.796 56.400 0.014 0.000 0.814 178 E CB 0.086 29.796 29.700 0.017 0.000 0.752 178 E HN 0.367 nan 8.360 nan 0.000 0.466 179 L N -0.421 120.813 121.223 0.019 0.000 2.513 179 L HA 0.065 4.405 4.340 -0.000 0.000 0.222 179 L C 1.840 178.800 176.870 0.150 0.000 1.096 179 L CA 0.140 55.062 54.840 0.137 0.000 0.857 179 L CB 0.502 42.624 42.059 0.104 0.000 1.026 179 L HN -0.078 nan 8.230 nan 0.000 0.469 180 V N -1.254 118.567 119.914 -0.156 0.000 3.177 180 V HA 0.195 4.315 4.120 -0.000 0.000 0.219 180 V C 2.252 178.216 176.094 -0.218 0.000 1.344 180 V CA 0.961 63.115 62.300 -0.244 0.000 1.324 180 V CB 0.370 31.730 31.823 -0.772 0.000 1.165 180 V HN 0.180 nan 8.190 nan 0.000 0.510 181 A N 0.306 122.948 122.820 -0.297 0.000 1.908 181 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 181 A C 1.864 179.424 177.584 -0.040 0.000 1.181 181 A CA 1.914 53.883 52.037 -0.112 0.000 0.627 181 A CB -0.436 18.543 19.000 -0.035 0.000 0.818 181 A HN 0.533 nan 8.150 nan 0.000 0.445 182 K N -0.456 119.925 120.400 -0.030 0.000 2.591 182 K HA 0.077 4.397 4.320 -0.000 0.000 0.197 182 K C -0.221 176.383 176.600 0.006 0.000 1.026 182 K CA 0.626 56.913 56.287 -0.000 0.000 1.127 182 K CB -0.207 32.300 32.500 0.011 0.000 0.871 182 K HN 0.617 nan 8.250 nan 0.000 0.507 183 N N -0.245 118.454 118.700 -0.001 0.000 2.193 183 N HA -0.011 4.729 4.740 -0.000 0.000 0.236 183 N C -1.398 174.110 175.510 -0.003 0.000 1.347 183 N CA -0.251 52.800 53.050 0.002 0.000 0.812 183 N CB 1.278 39.775 38.487 0.018 0.000 1.297 183 N HN 0.078 nan 8.380 nan 0.000 0.499 184 S N -0.663 115.035 115.700 -0.002 0.000 2.627 184 S HA 0.112 4.582 4.470 -0.000 0.000 0.268 184 S C -1.073 173.531 174.600 0.007 0.000 1.130 184 S CA -1.020 57.184 58.200 0.007 0.000 0.819 184 S CB 0.169 63.394 63.200 0.041 0.000 1.100 184 S HN 0.273 nan 8.310 nan 0.000 0.465 185 N N 0.101 118.810 118.700 0.014 0.000 2.313 185 N HA 0.267 5.006 4.740 -0.000 0.000 0.207 185 N C -0.265 175.260 175.510 0.024 0.000 1.141 185 N CA -0.452 52.608 53.050 0.016 0.000 0.830 185 N CB -0.265 38.230 38.487 0.013 0.000 1.008 185 N HN 0.465 nan 8.380 nan 0.000 0.481 186 L N 0.990 122.229 121.223 0.027 0.000 2.290 186 L HA 0.420 4.759 4.340 -0.000 0.000 0.284 186 L C 0.211 177.120 176.870 0.065 0.000 1.078 186 L CA -0.604 54.258 54.840 0.036 0.000 0.815 186 L CB 1.016 43.109 42.059 0.057 0.000 1.162 186 L HN 0.246 nan 8.230 nan 0.000 0.435 187 R N 2.956 123.515 120.500 0.099 0.000 2.584 187 R HA 0.465 4.805 4.340 -0.000 0.000 0.276 187 R C -1.745 174.678 176.300 0.205 0.000 1.046 187 R CA -0.518 55.714 56.100 0.220 0.000 0.906 187 R CB 1.608 31.996 30.300 0.147 0.000 1.215 187 R HN 0.393 nan 8.270 nan 0.000 0.449 188 F N 1.696 121.831 119.950 0.308 0.000 2.404 188 F HA 0.451 4.978 4.527 -0.000 0.000 0.339 188 F C -0.106 175.783 175.800 0.147 0.000 1.105 188 F CA -0.366 57.684 58.000 0.083 0.000 1.087 188 F CB 2.236 41.069 39.000 -0.279 0.000 1.143 188 F HN 0.374 nan 8.300 nan 0.000 0.491 189 S N 2.926 118.875 115.700 0.415 0.000 2.647 189 S HA 0.163 4.633 4.470 -0.000 0.000 0.300 189 S C -0.707 173.951 174.600 0.097 0.000 1.129 189 S CA -0.821 57.520 58.200 0.236 0.000 1.029 189 S CB 1.579 64.863 63.200 0.140 0.000 1.007 189 S HN 0.674 nan 8.310 nan 0.000 0.484 190 E N 1.910 122.078 120.200 -0.053 0.000 2.392 190 E HA 0.205 4.555 4.350 -0.000 0.000 0.259 190 E C -1.107 175.328 176.600 -0.274 0.000 1.108 190 E CA -0.087 56.016 56.400 -0.495 0.000 0.916 190 E CB 0.591 29.885 29.700 -0.676 0.000 0.989 190 E HN 0.472 nan 8.360 nan 0.000 0.432 191 D N 2.709 122.918 120.400 -0.318 0.000 2.419 191 D HA 0.069 4.709 4.640 -0.000 0.000 0.219 191 D C -1.301 174.890 176.300 -0.181 0.000 1.349 191 D CA -0.347 53.545 54.000 -0.179 0.000 0.964 191 D CB 0.100 40.832 40.800 -0.113 0.000 1.463 191 D HN 0.631 nan 8.370 nan 0.000 0.573 192 N N 2.712 121.323 118.700 -0.148 0.000 2.696 192 N HA -0.197 4.543 4.740 -0.000 0.000 0.256 192 N C 1.009 176.436 175.510 -0.139 0.000 1.031 192 N CA 1.459 54.440 53.050 -0.117 0.000 0.730 192 N CB -1.155 37.283 38.487 -0.081 0.000 0.894 192 N HN 0.933 nan 8.380 nan 0.000 0.544 193 G N -2.022 106.665 108.800 -0.189 0.000 2.212 193 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.266 193 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.266 193 G C 0.247 175.004 174.900 -0.238 0.000 0.978 193 G CA 0.816 45.813 45.100 -0.172 0.000 0.632 193 G HN 0.608 nan 8.290 nan 0.000 0.537 194 S N -1.094 114.408 115.700 -0.331 0.000 2.747 194 S HA 0.870 5.340 4.470 -0.000 0.000 0.300 194 S C -0.812 173.431 174.600 -0.596 0.000 1.121 194 S CA -0.475 57.557 58.200 -0.280 0.000 0.995 194 S CB 1.433 64.555 63.200 -0.130 0.000 1.113 194 S HN 0.368 nan 8.310 nan 0.000 0.547 195 Y N -0.544 119.662 120.300 -0.157 0.000 2.553 195 Y HA 0.686 5.236 4.550 -0.000 0.000 0.347 195 Y C -0.526 175.332 175.900 -0.070 0.000 1.019 195 Y CA -0.820 57.156 58.100 -0.207 0.000 1.032 195 Y CB 1.721 39.847 38.460 -0.557 0.000 1.284 195 Y HN 0.324 nan 8.280 nan 0.000 0.466 196 V N 3.315 123.428 119.914 0.331 0.000 3.012 196 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 196 V C -1.376 175.000 176.094 0.470 0.000 1.166 196 V CA -0.940 61.598 62.300 0.397 0.000 0.974 196 V CB 2.762 34.676 31.823 0.152 0.000 1.040 196 V HN 0.652 nan 8.190 nan 0.000 0.428 197 L N 4.053 125.343 121.223 0.112 0.000 2.376 197 L HA 0.656 4.995 4.340 -0.000 0.000 0.275 197 L C -0.596 176.190 176.870 -0.139 0.000 0.987 197 L CA -0.677 53.991 54.840 -0.286 0.000 0.828 197 L CB 1.444 42.844 42.059 -1.097 0.000 1.249 197 L HN 0.564 nan 8.230 nan 0.000 0.409 198 R N 5.432 125.889 120.500 -0.071 0.000 2.216 198 R HA 0.386 4.726 4.340 -0.000 0.000 0.332 198 R C -0.432 175.839 176.300 -0.049 0.000 1.056 198 R CA -0.526 55.548 56.100 -0.043 0.000 0.901 198 R CB 1.061 31.353 30.300 -0.013 0.000 1.039 198 R HN 0.566 nan 8.270 nan 0.000 0.456 199 M N 4.589 124.161 119.600 -0.046 0.000 2.216 199 M HA 0.321 4.801 4.480 -0.000 0.000 0.356 199 M C -1.833 174.462 176.300 -0.009 0.000 1.205 199 M CA -2.426 52.858 55.300 -0.026 0.000 1.122 199 M CB 0.757 33.346 32.600 -0.018 0.000 1.571 199 M HN 0.195 nan 8.290 nan 0.000 0.464 200 P HA 0.180 nan 4.420 nan 0.000 0.286 200 P C -0.576 176.727 177.300 0.006 0.000 1.293 200 P CA -0.482 62.621 63.100 0.004 0.000 0.770 200 P CB 0.391 32.096 31.700 0.008 0.000 1.206 201 S N -1.293 114.410 115.700 0.004 0.000 2.603 201 S HA 0.126 4.595 4.470 -0.000 0.000 0.268 201 S C 1.131 175.735 174.600 0.006 0.000 1.317 201 S CA -0.160 58.042 58.200 0.004 0.000 1.012 201 S CB 0.307 63.509 63.200 0.002 0.000 0.926 201 S HN 0.267 nan 8.310 nan 0.000 0.539 202 S N 1.446 117.149 115.700 0.006 0.000 2.419 202 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 202 S C 1.650 176.249 174.600 -0.002 0.000 1.019 202 S CA 1.571 59.775 58.200 0.005 0.000 0.982 202 S CB -0.501 62.702 63.200 0.004 0.000 0.789 202 S HN 0.891 nan 8.310 nan 0.000 0.490 203 E N 0.689 120.887 120.200 -0.004 0.000 2.216 203 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 203 E C 1.800 178.396 176.600 -0.006 0.000 0.988 203 E CA 0.317 56.713 56.400 -0.007 0.000 0.834 203 E CB -0.044 29.652 29.700 -0.007 0.000 0.772 203 E HN 0.214 nan 8.360 nan 0.000 0.479 204 R N 0.872 121.370 120.500 -0.003 0.000 2.275 204 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 204 R C 0.822 177.122 176.300 -0.001 0.000 0.989 204 R CA 0.075 56.174 56.100 -0.002 0.000 1.016 204 R CB -0.243 30.058 30.300 0.001 0.000 0.918 204 R HN 0.233 nan 8.270 nan 0.000 0.473 205 I N 2.919 123.489 120.570 0.000 0.000 2.742 205 I HA -0.119 4.051 4.170 -0.000 0.000 0.287 205 I C 0.162 176.275 176.117 -0.008 0.000 1.186 205 I CA 0.969 62.271 61.300 0.003 0.000 1.417 205 I CB 0.157 38.160 38.000 0.006 0.000 1.377 205 I HN -0.103 nan 8.210 nan 0.000 0.556 206 E N 7.480 127.678 120.200 -0.005 0.000 2.133 206 E HA 0.491 4.840 4.350 -0.000 0.000 0.274 206 E C -0.869 175.720 176.600 -0.019 0.000 0.930 206 E CA -0.690 55.702 56.400 -0.013 0.000 0.770 206 E CB 1.903 31.598 29.700 -0.007 0.000 1.104 206 E HN 0.338 nan 8.360 nan 0.000 0.403 207 I N 2.007 122.554 120.570 -0.039 0.000 2.509 207 I HA 0.173 4.343 4.170 -0.000 0.000 0.293 207 I C 0.123 176.204 176.117 -0.060 0.000 1.020 207 I CA -0.954 60.311 61.300 -0.058 0.000 1.088 207 I CB 1.426 39.361 38.000 -0.109 0.000 1.267 207 I HN 0.533 nan 8.210 nan 0.000 0.430 208 N N 5.449 124.116 118.700 -0.056 0.000 2.400 208 N HA 0.008 4.748 4.740 -0.000 0.000 0.267 208 N C 0.845 176.309 175.510 -0.077 0.000 1.208 208 N CA -0.306 52.713 53.050 -0.050 0.000 0.951 208 N CB 0.643 39.108 38.487 -0.036 0.000 1.227 208 N HN 0.302 nan 8.380 nan 0.000 0.488 209 K N 1.574 121.932 120.400 -0.069 0.000 2.442 209 K HA -0.058 4.262 4.320 -0.000 0.000 0.198 209 K C 1.071 177.625 176.600 -0.076 0.000 1.044 209 K CA 0.564 56.803 56.287 -0.081 0.000 0.948 209 K CB 0.014 32.476 32.500 -0.062 0.000 0.762 209 K HN 0.491 nan 8.250 nan 0.000 0.472 210 S N 0.551 116.216 115.700 -0.058 0.000 2.470 210 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 210 S C 1.588 176.158 174.600 -0.050 0.000 1.006 210 S CA 0.740 58.915 58.200 -0.042 0.000 0.934 210 S CB 0.258 63.446 63.200 -0.020 0.000 0.778 210 S HN 0.201 nan 8.310 nan 0.000 0.517 211 K N 0.255 120.605 120.400 -0.084 0.000 2.344 211 K HA 0.387 4.706 4.320 -0.000 0.000 0.200 211 K C 0.306 176.712 176.600 -0.324 0.000 1.132 211 K CA 0.463 56.677 56.287 -0.122 0.000 0.935 211 K CB 0.471 32.932 32.500 -0.066 0.000 1.089 211 K HN 0.278 nan 8.250 nan 0.000 0.496 212 I N 2.222 122.590 120.570 -0.337 0.000 2.418 212 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 212 I C -0.561 175.342 176.117 -0.357 0.000 1.008 212 I CA -0.413 60.597 61.300 -0.483 0.000 1.104 212 I CB 1.840 39.551 38.000 -0.482 0.000 1.264 212 I HN -0.160 nan 8.210 nan 0.000 0.438 213 M N 7.536 126.929 119.600 -0.345 0.000 2.268 213 M HA 0.592 5.072 4.480 -0.000 0.000 0.344 213 M C -0.492 175.595 176.300 -0.354 0.000 1.106 213 M CA -0.608 54.532 55.300 -0.267 0.000 1.010 213 M CB 2.202 34.693 32.600 -0.182 0.000 1.649 213 M HN 0.544 nan 8.290 nan 0.000 0.443 214 I N 0.099 120.472 120.570 -0.329 0.000 3.108 214 I HA 0.805 4.975 4.170 -0.000 0.000 0.312 214 I C -1.151 174.851 176.117 -0.193 0.000 1.095 214 I CA -0.855 60.227 61.300 -0.362 0.000 1.000 214 I CB 2.520 40.221 38.000 -0.498 0.000 1.229 214 I HN 0.625 nan 8.210 nan 0.000 0.454 215 R N 1.339 121.756 120.500 -0.138 0.000 2.766 215 R HA 0.326 4.666 4.340 -0.000 0.000 0.270 215 R C 0.313 176.586 176.300 -0.044 0.000 1.035 215 R CA -0.500 55.551 56.100 -0.080 0.000 0.911 215 R CB 1.377 31.623 30.300 -0.090 0.000 1.243 215 R HN 0.840 nan 8.270 nan 0.000 0.460 216 S N 0.265 115.949 115.700 -0.027 0.000 2.355 216 S HA 0.006 4.476 4.470 -0.000 0.000 0.222 216 S C 0.913 175.510 174.600 -0.006 0.000 1.031 216 S CA 1.261 59.454 58.200 -0.012 0.000 0.993 216 S CB 0.100 63.292 63.200 -0.013 0.000 0.859 216 S HN 0.451 nan 8.310 nan 0.000 0.453 217 M N 0.754 120.349 119.600 -0.008 0.000 2.395 217 M HA 0.503 4.983 4.480 -0.000 0.000 0.307 217 M C 0.846 177.152 176.300 0.010 0.000 1.091 217 M CA -0.605 54.699 55.300 0.007 0.000 0.919 217 M CB 1.862 34.472 32.600 0.017 0.000 1.662 217 M HN 0.096 nan 8.290 nan 0.000 0.440 218 E N 3.202 123.418 120.200 0.026 0.000 2.271 218 E HA -0.240 4.110 4.350 -0.000 0.000 0.209 218 E C 1.070 177.702 176.600 0.054 0.000 1.046 218 E CA 2.029 58.455 56.400 0.043 0.000 0.840 218 E CB -0.510 29.199 29.700 0.016 0.000 0.738 218 E HN 0.880 nan 8.360 nan 0.000 0.470 219 M N 0.559 120.191 119.600 0.053 0.000 2.296 219 M HA -0.010 4.469 4.480 -0.000 0.000 0.265 219 M C 1.877 178.159 176.300 -0.029 0.000 1.064 219 M CA 1.210 56.536 55.300 0.043 0.000 1.109 219 M CB -0.717 31.936 32.600 0.089 0.000 1.396 219 M HN 0.172 nan 8.290 nan 0.000 0.430 220 E N 0.372 120.526 120.200 -0.077 0.000 2.274 220 E HA -0.027 4.322 4.350 -0.000 0.000 0.194 220 E C 2.034 178.355 176.600 -0.465 0.000 0.996 220 E CA 0.437 56.699 56.400 -0.229 0.000 0.840 220 E CB -0.090 29.534 29.700 -0.127 0.000 0.772 220 E HN 0.461 nan 8.360 nan 0.000 0.491 221 L N 0.705 121.774 121.223 -0.257 0.000 2.362 221 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 221 L C 2.147 178.690 176.870 -0.545 0.000 1.134 221 L CA 0.584 55.236 54.840 -0.315 0.000 0.807 221 L CB -0.342 41.711 42.059 -0.010 0.000 0.927 221 L HN 0.204 nan 8.230 nan 0.000 0.447 222 I N -0.191 120.154 120.570 -0.375 0.000 2.113 222 I HA -0.337 3.833 4.170 -0.000 0.000 0.238 222 I C 2.725 178.751 176.117 -0.151 0.000 1.070 222 I CA 1.650 62.790 61.300 -0.267 0.000 1.332 222 I CB -0.678 37.333 38.000 0.020 0.000 1.044 222 I HN 0.434 nan 8.210 nan 0.000 0.402 223 H N 1.389 120.436 119.070 -0.039 0.000 2.387 223 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 223 H C 2.163 177.447 175.328 -0.074 0.000 1.090 223 H CA 1.193 57.227 56.048 -0.023 0.000 1.332 223 H CB -0.621 29.135 29.762 -0.010 0.000 1.386 223 H HN 0.322 nan 8.280 nan 0.000 0.516 224 L N 1.054 122.219 121.223 -0.096 0.000 2.127 224 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 224 L C 2.711 179.508 176.870 -0.123 0.000 1.089 224 L CA 0.827 55.643 54.840 -0.039 0.000 0.757 224 L CB -0.247 41.697 42.059 -0.192 0.000 0.899 224 L HN 0.196 nan 8.230 nan 0.000 0.434 225 V N -0.447 119.318 119.914 -0.249 0.000 2.346 225 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 225 V C 2.312 178.392 176.094 -0.023 0.000 1.037 225 V CA 1.419 63.581 62.300 -0.230 0.000 1.029 225 V CB -0.413 31.094 31.823 -0.527 0.000 0.663 225 V HN 0.426 nan 8.190 nan 0.000 0.454 226 E N 1.387 121.616 120.200 0.048 0.000 2.058 226 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 226 E C 2.094 178.718 176.600 0.040 0.000 0.997 226 E CA 1.788 58.236 56.400 0.081 0.000 0.801 226 E CB -0.334 29.433 29.700 0.111 0.000 0.746 226 E HN 0.696 nan 8.360 nan 0.000 0.450 227 S N -0.331 115.393 115.700 0.039 0.000 2.720 227 S HA 0.163 4.633 4.470 -0.000 0.000 0.222 227 S C 1.493 176.093 174.600 -0.001 0.000 0.958 227 S CA 0.330 58.540 58.200 0.016 0.000 0.943 227 S CB 0.119 63.327 63.200 0.014 0.000 0.779 227 S HN 0.448 nan 8.310 nan 0.000 0.526 228 G N 0.950 109.746 108.800 -0.007 0.000 2.162 228 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 228 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 228 G C 0.369 175.249 174.900 -0.034 0.000 0.976 228 G CA 0.410 45.497 45.100 -0.022 0.000 0.655 228 G HN 0.567 nan 8.290 nan 0.000 0.533 229 E N -0.430 119.749 120.200 -0.036 0.000 2.476 229 E HA 0.476 4.826 4.350 -0.000 0.000 0.191 229 E C 0.869 177.433 176.600 -0.061 0.000 1.064 229 E CA 0.336 56.710 56.400 -0.043 0.000 0.866 229 E CB 0.211 29.891 29.700 -0.034 0.000 0.952 229 E HN 0.599 nan 8.360 nan 0.000 0.492 230 L N -0.138 121.039 121.223 -0.077 0.000 2.445 230 L HA 0.296 4.636 4.340 -0.000 0.000 0.262 230 L C 0.154 176.972 176.870 -0.086 0.000 0.974 230 L CA -0.567 54.226 54.840 -0.079 0.000 0.822 230 L CB 2.375 44.356 42.059 -0.129 0.000 1.339 230 L HN -0.086 nan 8.230 nan 0.000 0.409 231 D N 0.996 121.351 120.400 -0.075 0.000 2.259 231 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 231 D C -0.652 175.362 176.300 -0.477 0.000 0.961 231 D CA 1.444 55.277 54.000 -0.280 0.000 0.878 231 D CB 0.634 41.276 40.800 -0.262 0.000 1.009 231 D HN 0.214 nan 8.370 nan 0.000 0.490 232 Y N -0.601 119.826 120.300 0.211 0.000 2.553 232 Y HA 0.407 4.957 4.550 -0.000 0.000 0.347 232 Y C -0.633 175.452 175.900 0.308 0.000 1.019 232 Y CA -1.497 56.737 58.100 0.222 0.000 1.032 232 Y CB 1.801 40.280 38.460 0.031 0.000 1.284 232 Y HN -0.196 nan 8.280 nan 0.000 0.466 233 F N -0.361 119.607 119.950 0.031 0.000 2.588 233 F HA 0.665 5.192 4.527 -0.000 0.000 0.314 233 F C -1.885 173.826 175.800 -0.149 0.000 1.134 233 F CA -1.522 56.462 58.000 -0.025 0.000 0.961 233 F CB 1.027 39.989 39.000 -0.064 0.000 1.239 233 F HN 0.213 nan 8.300 nan 0.000 0.448 234 F N 5.240 125.231 119.950 0.068 0.000 2.462 234 F HA 0.470 4.997 4.527 -0.000 0.000 0.360 234 F C 0.005 175.626 175.800 -0.298 0.000 1.134 234 F CA -0.210 57.695 58.000 -0.159 0.000 1.148 234 F CB 0.715 39.678 39.000 -0.062 0.000 1.147 234 F HN 0.493 nan 8.300 nan 0.000 0.550 235 I N 3.122 123.455 120.570 -0.394 0.000 3.074 235 I HA 0.468 4.638 4.170 -0.000 0.000 0.310 235 I C -1.179 174.697 176.117 -0.402 0.000 1.153 235 I CA -1.324 59.703 61.300 -0.454 0.000 0.993 235 I CB 1.122 38.701 38.000 -0.703 0.000 1.237 235 I HN 0.222 nan 8.210 nan 0.000 0.443 236 Y N 3.576 123.771 120.300 -0.175 0.000 2.550 236 Y HA 0.108 4.658 4.550 -0.000 0.000 0.343 236 Y C 1.686 177.437 175.900 -0.248 0.000 1.245 236 Y CA 0.539 58.550 58.100 -0.148 0.000 1.462 236 Y CB 0.403 38.840 38.460 -0.039 0.000 1.340 236 Y HN 0.577 nan 8.280 nan 0.000 0.604 237 K N 0.470 120.809 120.400 -0.102 0.000 2.103 237 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 237 K C 2.373 178.861 176.600 -0.188 0.000 1.052 237 K CA 1.269 57.341 56.287 -0.359 0.000 0.945 237 K CB -0.088 32.212 32.500 -0.333 0.000 0.722 237 K HN 0.733 nan 8.250 nan 0.000 0.443 238 S N 0.357 116.031 115.700 -0.043 0.000 2.368 238 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 238 S C 1.922 176.549 174.600 0.046 0.000 1.044 238 S CA 1.957 60.152 58.200 -0.009 0.000 1.062 238 S CB -0.419 62.761 63.200 -0.034 0.000 0.931 238 S HN 0.219 nan 8.310 nan 0.000 0.440 239 V N 2.243 122.207 119.914 0.083 0.000 2.283 239 V HA -0.007 4.113 4.120 -0.000 0.000 0.243 239 V C 3.022 179.208 176.094 0.153 0.000 1.039 239 V CA 1.576 63.953 62.300 0.128 0.000 1.016 239 V CB -1.568 30.314 31.823 0.098 0.000 0.650 239 V HN 0.666 nan 8.190 nan 0.000 0.449 240 A N -0.324 122.509 122.820 0.023 0.000 1.997 240 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 240 A C 2.286 180.029 177.584 0.264 0.000 1.172 240 A CA 2.373 54.473 52.037 0.105 0.000 0.645 240 A CB -0.452 18.405 19.000 -0.238 0.000 0.813 240 A HN 0.578 nan 8.150 nan 0.000 0.454 241 K N -1.247 119.242 120.400 0.149 0.000 2.021 241 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 241 K C 2.320 179.044 176.600 0.206 0.000 1.047 241 K CA 1.203 57.608 56.287 0.195 0.000 0.943 241 K CB -0.231 32.349 32.500 0.132 0.000 0.725 241 K HN 0.571 nan 8.250 nan 0.000 0.439 242 Q N 0.048 119.983 119.800 0.226 0.000 2.197 242 Q HA -0.204 4.136 4.340 -0.000 0.000 0.211 242 Q C 0.593 176.740 176.000 0.245 0.000 0.993 242 Q CA 1.612 57.563 55.803 0.247 0.000 0.883 242 Q CB -0.118 28.824 28.738 0.340 0.000 0.916 242 Q HN 0.409 nan 8.270 nan 0.000 0.418 243 H N -1.801 117.361 119.070 0.153 0.000 2.469 243 H HA 0.292 4.847 4.556 -0.000 0.000 0.286 243 H C 0.386 175.653 175.328 -0.102 0.000 1.106 243 H CA 0.118 56.205 56.048 0.064 0.000 1.055 243 H CB 0.320 30.224 29.762 0.236 0.000 1.618 243 H HN 0.302 nan 8.280 nan 0.000 0.559 244 G N 0.893 109.757 108.800 0.106 0.000 2.441 244 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.298 244 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.298 244 G C -0.250 174.656 174.900 0.009 0.000 0.949 244 G CA 0.197 45.328 45.100 0.051 0.000 1.072 244 G HN 0.273 nan 8.290 nan 0.000 0.512 245 F N 0.002 120.079 119.950 0.212 0.000 2.375 245 F HA 0.343 4.869 4.527 -0.000 0.000 0.333 245 F C 1.048 176.958 175.800 0.182 0.000 1.104 245 F CA -0.957 57.165 58.000 0.203 0.000 1.149 245 F CB 0.766 39.943 39.000 0.294 0.000 1.190 245 F HN 0.080 nan 8.300 nan 0.000 0.533 246 N N 2.409 121.228 118.700 0.199 0.000 2.479 246 N HA 0.217 4.956 4.740 -0.000 0.000 0.257 246 N C -1.126 174.543 175.510 0.266 0.000 1.232 246 N CA 0.338 53.309 53.050 -0.132 0.000 0.920 246 N CB 0.576 38.544 38.487 -0.866 0.000 1.105 246 N HN 0.480 nan 8.380 nan 0.000 0.444 247 F N -0.412 119.717 119.950 0.298 0.000 2.650 247 F HA 0.407 4.934 4.527 -0.000 0.000 0.310 247 F C -1.533 174.422 175.800 0.259 0.000 1.112 247 F CA -1.131 57.105 58.000 0.394 0.000 0.986 247 F CB 0.230 39.314 39.000 0.140 0.000 1.285 247 F HN 0.003 nan 8.300 nan 0.000 0.440 248 V N 2.473 122.586 119.914 0.332 0.000 2.432 248 V HA 0.269 4.388 4.120 -0.000 0.000 0.275 248 V C 0.024 176.201 176.094 0.139 0.000 1.043 248 V CA -0.442 61.911 62.300 0.088 0.000 0.925 248 V CB 1.144 32.889 31.823 -0.131 0.000 0.985 248 V HN 0.875 nan 8.190 nan 0.000 0.466 249 E N 4.469 124.745 120.200 0.126 0.000 2.223 249 E HA 0.397 4.747 4.350 -0.000 0.000 0.282 249 E C -0.785 175.802 176.600 -0.021 0.000 1.046 249 E CA -0.404 56.073 56.400 0.128 0.000 0.857 249 E CB 0.723 30.515 29.700 0.153 0.000 1.055 249 E HN 0.568 nan 8.360 nan 0.000 0.409 250 L N 5.826 126.984 121.223 -0.109 0.000 2.421 250 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 250 L C -2.017 174.775 176.870 -0.130 0.000 1.122 250 L CA -2.374 52.363 54.840 -0.171 0.000 0.804 250 L CB 0.578 42.459 42.059 -0.296 0.000 1.150 250 L HN 0.478 nan 8.230 nan 0.000 0.457 251 P HA -0.071 nan 4.420 nan 0.000 0.262 251 P C 0.760 177.844 177.300 -0.359 0.000 1.199 251 P CA 0.151 63.051 63.100 -0.334 0.000 0.763 251 P CB 0.705 31.953 31.700 -0.753 0.000 0.790 252 V N 3.703 123.422 119.914 -0.325 0.000 2.660 252 V HA -0.277 3.843 4.120 -0.000 0.000 0.257 252 V C 1.488 177.351 176.094 -0.386 0.000 1.088 252 V CA 2.045 64.151 62.300 -0.323 0.000 1.106 252 V CB -0.816 30.770 31.823 -0.395 0.000 0.686 252 V HN 0.507 nan 8.190 nan 0.000 0.481 253 E N 0.027 119.902 120.200 -0.542 0.000 2.472 253 E HA -0.079 4.271 4.350 -0.000 0.000 0.200 253 E C 1.563 178.169 176.600 0.010 0.000 1.046 253 E CA 1.583 57.794 56.400 -0.315 0.000 0.871 253 E CB -0.073 29.479 29.700 -0.246 0.000 0.806 253 E HN 0.936 nan 8.360 nan 0.000 0.533 254 I N -3.965 116.549 120.570 -0.094 0.000 4.922 254 I HA 0.153 4.322 4.170 -0.000 0.000 0.331 254 I C 0.610 176.586 176.117 -0.234 0.000 1.260 254 I CA -0.095 61.151 61.300 -0.089 0.000 1.366 254 I CB 0.256 38.199 38.000 -0.094 0.000 1.386 254 I HN -0.166 nan 8.210 nan 0.000 0.483 255 D N 3.016 123.281 120.400 -0.226 0.000 2.379 255 D HA -0.063 4.577 4.640 -0.000 0.000 0.243 255 D C 1.028 177.122 176.300 -0.343 0.000 1.088 255 D CA 0.167 54.019 54.000 -0.247 0.000 0.925 255 D CB -0.577 40.120 40.800 -0.172 0.000 0.888 255 D HN 0.508 nan 8.370 nan 0.000 0.529 256 L N -0.197 120.576 121.223 -0.750 0.000 3.742 256 L HA -0.255 4.085 4.340 -0.000 0.000 0.431 256 L C 0.623 177.291 176.870 -0.336 0.000 1.220 256 L CA 0.771 54.958 54.840 -1.089 0.000 0.863 256 L CB -2.264 39.429 42.059 -0.611 0.000 1.751 256 L HN 0.420 nan 8.230 nan 0.000 0.922 257 S N -3.047 112.632 115.700 -0.035 0.000 2.754 257 S HA 0.428 4.898 4.470 -0.000 0.000 0.247 257 S C 0.176 174.908 174.600 0.220 0.000 1.031 257 S CA 0.210 58.471 58.200 0.102 0.000 1.014 257 S CB 1.269 64.494 63.200 0.042 0.000 0.918 257 S HN 0.386 nan 8.310 nan 0.000 0.519 258 S N 1.020 116.974 115.700 0.423 0.000 2.566 258 S HA 0.566 5.036 4.470 -0.000 0.000 0.273 258 S C -2.728 172.024 174.600 0.253 0.000 1.157 258 S CA -0.997 57.388 58.200 0.309 0.000 0.938 258 S CB 1.614 64.997 63.200 0.306 0.000 1.087 258 S HN -0.026 nan 8.310 nan 0.000 0.474 259 P HA -0.043 nan 4.420 nan 0.000 0.216 259 P C 0.538 177.826 177.300 -0.020 0.000 1.150 259 P CA 0.957 64.099 63.100 0.070 0.000 0.837 259 P CB 0.060 31.792 31.700 0.055 0.000 0.786 260 D N -2.176 118.220 120.400 -0.006 0.000 2.357 260 D HA -0.158 4.482 4.640 -0.000 0.000 0.216 260 D C 0.616 176.626 176.300 -0.484 0.000 0.973 260 D CA 1.286 55.171 54.000 -0.192 0.000 0.912 260 D CB -0.377 40.335 40.800 -0.147 0.000 0.900 260 D HN 0.400 nan 8.370 nan 0.000 0.501 261 Y N -1.152 118.964 120.300 -0.307 0.000 2.717 261 Y HA 0.400 4.950 4.550 -0.000 0.000 0.250 261 Y C 1.856 177.243 175.900 -0.856 0.000 1.149 261 Y CA -0.348 57.422 58.100 -0.548 0.000 1.211 261 Y CB 0.318 38.404 38.460 -0.622 0.000 1.289 261 Y HN -0.123 nan 8.280 nan 0.000 0.552 262 A N 0.412 122.974 122.820 -0.429 0.000 2.042 262 A HA -0.287 4.033 4.320 -0.000 0.000 0.222 262 A C 2.054 179.549 177.584 -0.148 0.000 1.167 262 A CA 2.183 54.084 52.037 -0.226 0.000 0.649 262 A CB -0.329 18.653 19.000 -0.030 0.000 0.809 262 A HN 0.566 nan 8.150 nan 0.000 0.457 263 E N -0.276 119.825 120.200 -0.165 0.000 2.012 263 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 263 E C 1.991 178.565 176.600 -0.043 0.000 1.007 263 E CA 1.658 58.006 56.400 -0.086 0.000 0.816 263 E CB -0.300 29.342 29.700 -0.096 0.000 0.762 263 E HN 0.711 nan 8.360 nan 0.000 0.451 264 L N 0.004 121.194 121.223 -0.056 0.000 2.012 264 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 264 L C 2.634 179.594 176.870 0.150 0.000 1.073 264 L CA 1.145 56.014 54.840 0.048 0.000 0.748 264 L CB -0.995 41.122 42.059 0.097 0.000 0.891 264 L HN 0.200 nan 8.230 nan 0.000 0.431 265 Y N 1.076 121.403 120.300 0.044 0.000 2.193 265 Y HA -0.235 4.315 4.550 -0.000 0.000 0.285 265 Y C 3.113 179.016 175.900 0.006 0.000 1.166 265 Y CA 0.940 59.050 58.100 0.018 0.000 1.181 265 Y CB -1.509 36.974 38.460 0.038 0.000 0.976 265 Y HN 0.377 nan 8.280 nan 0.000 0.520 266 S N -0.500 115.298 115.700 0.162 0.000 2.555 266 S HA -0.075 4.394 4.470 -0.000 0.000 0.230 266 S C 1.679 176.311 174.600 0.053 0.000 0.978 266 S CA 0.351 58.603 58.200 0.087 0.000 0.934 266 S CB -0.130 63.100 63.200 0.051 0.000 0.766 266 S HN 0.227 nan 8.310 nan 0.000 0.533 267 K N 1.462 121.897 120.400 0.059 0.000 2.217 267 K HA 0.124 4.443 4.320 -0.000 0.000 0.202 267 K C 1.000 177.619 176.600 0.032 0.000 1.051 267 K CA 0.700 57.016 56.287 0.048 0.000 0.952 267 K CB -0.498 32.046 32.500 0.074 0.000 0.736 267 K HN 0.609 nan 8.250 nan 0.000 0.453 268 V N -0.485 119.417 119.914 -0.020 0.000 2.532 268 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 268 V C -0.369 175.728 176.094 0.006 0.000 1.041 268 V CA -1.018 61.216 62.300 -0.111 0.000 0.926 268 V CB 1.750 33.403 31.823 -0.282 0.000 0.992 268 V HN 0.022 nan 8.190 nan 0.000 0.457 269 K N 2.882 123.335 120.400 0.088 0.000 2.501 269 K HA 0.770 5.090 4.320 -0.000 0.000 0.252 269 K C -2.032 174.673 176.600 0.175 0.000 0.934 269 K CA -0.585 55.755 56.287 0.088 0.000 0.797 269 K CB 2.645 35.167 32.500 0.036 0.000 1.270 269 K HN 0.683 nan 8.250 nan 0.000 0.431 270 V N 3.435 123.366 119.914 0.028 0.000 2.715 270 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 270 V C -0.803 175.215 176.094 -0.128 0.000 1.054 270 V CA -0.859 61.410 62.300 -0.053 0.000 0.928 270 V CB 2.017 33.770 31.823 -0.116 0.000 1.007 270 V HN 0.551 nan 8.190 nan 0.000 0.437 271 V N 5.071 124.924 119.914 -0.102 0.000 2.357 271 V HA 0.457 4.577 4.120 -0.000 0.000 0.284 271 V C -0.035 176.006 176.094 -0.088 0.000 1.018 271 V CA -0.595 61.648 62.300 -0.095 0.000 0.841 271 V CB 1.150 32.941 31.823 -0.055 0.000 0.991 271 V HN 0.611 nan 8.190 nan 0.000 0.437 272 L N 3.270 124.433 121.223 -0.100 0.000 2.452 272 L HA 0.342 4.681 4.340 -0.000 0.000 0.267 272 L C 1.949 178.801 176.870 -0.031 0.000 1.188 272 L CA -0.008 54.799 54.840 -0.055 0.000 0.821 272 L CB 0.597 42.625 42.059 -0.051 0.000 1.102 272 L HN 0.760 nan 8.230 nan 0.000 0.470 273 A N 2.761 125.574 122.820 -0.011 0.000 1.948 273 A HA -0.247 4.072 4.320 -0.000 0.000 0.220 273 A C 1.647 179.227 177.584 -0.005 0.000 1.177 273 A CA 2.155 54.188 52.037 -0.006 0.000 0.636 273 A CB -1.205 17.797 19.000 0.003 0.000 0.815 273 A HN 1.012 nan 8.150 nan 0.000 0.449 274 N N -0.991 117.707 118.700 -0.003 0.000 2.617 274 N HA 0.261 5.001 4.740 -0.000 0.000 0.198 274 N C 0.851 176.357 175.510 -0.007 0.000 1.317 274 N CA 0.733 53.783 53.050 0.000 0.000 0.892 274 N CB -0.402 38.088 38.487 0.006 0.000 1.041 274 N HN 0.668 nan 8.380 nan 0.000 0.450 275 G N 0.045 108.836 108.800 -0.015 0.000 2.221 275 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.265 275 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.265 275 G C -0.452 174.429 174.900 -0.031 0.000 1.041 275 G CA 0.057 45.145 45.100 -0.020 0.000 0.807 275 G HN 0.354 nan 8.290 nan 0.000 0.502 276 K N 0.268 120.640 120.400 -0.048 0.000 2.208 276 K HA 0.571 4.891 4.320 -0.000 0.000 0.247 276 K C 0.143 176.683 176.600 -0.101 0.000 0.953 276 K CA -0.628 55.618 56.287 -0.068 0.000 0.837 276 K CB 1.669 34.126 32.500 -0.070 0.000 1.131 276 K HN 0.465 nan 8.250 nan 0.000 0.431 277 E N 1.243 121.378 120.200 -0.108 0.000 2.166 277 E HA 0.358 4.708 4.350 -0.000 0.000 0.275 277 E C -0.563 175.930 176.600 -0.178 0.000 0.941 277 E CA -1.020 55.304 56.400 -0.126 0.000 0.784 277 E CB 1.900 31.550 29.700 -0.083 0.000 1.115 277 E HN 0.322 nan 8.360 nan 0.000 0.399 278 V N 0.043 119.807 119.914 -0.251 0.000 2.540 278 V HA 0.594 4.714 4.120 -0.000 0.000 0.302 278 V C -0.260 175.718 176.094 -0.193 0.000 1.035 278 V CA -0.680 61.432 62.300 -0.314 0.000 0.873 278 V CB 1.604 32.998 31.823 -0.716 0.000 0.992 278 V HN 0.552 nan 8.190 nan 0.000 0.428 279 T N 3.087 117.576 114.554 -0.108 0.000 2.888 279 T HA 0.657 5.006 4.350 -0.000 0.000 0.284 279 T C 0.642 175.352 174.700 0.017 0.000 1.017 279 T CA 0.028 62.109 62.100 -0.032 0.000 1.022 279 T CB 1.642 70.502 68.868 -0.013 0.000 1.013 279 T HN 1.298 nan 8.240 nan 0.000 0.465 280 G N 2.478 111.307 108.800 0.049 0.000 2.254 280 G HA2 0.374 4.333 3.960 -0.000 0.000 0.253 280 G HA3 0.374 4.333 3.960 -0.000 0.000 0.253 280 G C -0.410 174.590 174.900 0.166 0.000 1.246 280 G CA 0.043 45.193 45.100 0.084 0.000 0.946 280 G HN 0.614 nan 8.290 nan 0.000 0.474 281 K N 2.773 123.266 120.400 0.154 0.000 2.499 281 K HA 0.394 4.714 4.320 -0.000 0.000 0.277 281 K C -2.961 173.787 176.600 0.246 0.000 1.025 281 K CA -1.877 54.556 56.287 0.243 0.000 0.900 281 K CB 2.139 34.738 32.500 0.165 0.000 1.494 281 K HN 0.139 nan 8.250 nan 0.000 0.442 282 P HA 0.180 nan 4.420 nan 0.000 0.276 282 P C -0.665 176.739 177.300 0.175 0.000 1.230 282 P CA -0.150 63.106 63.100 0.260 0.000 0.776 282 P CB 0.336 32.192 31.700 0.260 0.000 0.888 283 I N 3.066 123.712 120.570 0.127 0.000 2.671 283 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 283 I C -0.014 176.205 176.117 0.170 0.000 1.148 283 I CA 0.621 62.004 61.300 0.138 0.000 1.386 283 I CB -0.029 38.064 38.000 0.155 0.000 1.406 283 I HN -0.009 nan 8.210 nan 0.000 0.540 284 V N 7.970 128.004 119.914 0.200 0.000 2.482 284 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 284 V C -0.445 175.764 176.094 0.193 0.000 1.026 284 V CA -0.654 61.762 62.300 0.194 0.000 0.856 284 V CB 1.468 33.389 31.823 0.164 0.000 1.001 284 V HN 0.393 nan 8.190 nan 0.000 0.424 285 Y N 2.624 122.776 120.300 -0.246 0.000 2.359 285 Y HA 0.568 5.118 4.550 -0.000 0.000 0.330 285 Y C 1.110 176.773 175.900 -0.396 0.000 1.143 285 Y CA 0.038 57.899 58.100 -0.399 0.000 1.318 285 Y CB 1.472 39.430 38.460 -0.836 0.000 1.234 285 Y HN 0.698 nan 8.280 nan 0.000 0.522 286 G N 2.968 111.815 108.800 0.079 0.000 2.511 286 G HA2 0.691 4.651 3.960 -0.000 0.000 0.318 286 G HA3 0.691 4.651 3.960 -0.000 0.000 0.318 286 G C -1.792 173.402 174.900 0.490 0.000 1.210 286 G CA -0.688 44.577 45.100 0.275 0.000 0.969 286 G HN 0.665 nan 8.290 nan 0.000 0.484 287 I N -0.869 119.977 120.570 0.459 0.000 3.095 287 I HA 0.844 5.014 4.170 -0.000 0.000 0.310 287 I C -0.773 175.378 176.117 0.056 0.000 1.196 287 I CA -0.543 60.938 61.300 0.301 0.000 0.985 287 I CB 2.627 40.736 38.000 0.183 0.000 1.250 287 I HN 0.837 nan 8.210 nan 0.000 0.446 288 T N 4.598 119.070 114.554 -0.137 0.000 2.770 288 T HA 0.463 4.813 4.350 -0.000 0.000 0.323 288 T C -1.947 172.465 174.700 -0.480 0.000 1.683 288 T CA -0.494 61.233 62.100 -0.622 0.000 1.024 288 T CB 0.970 69.426 68.868 -0.686 0.000 1.557 288 T HN 0.410 nan 8.240 nan 0.000 0.494 289 I N 4.540 124.706 120.570 -0.672 0.000 2.390 289 I HA 0.370 4.540 4.170 -0.000 0.000 0.283 289 I C -1.847 174.118 176.117 -0.254 0.000 1.016 289 I CA -2.278 58.899 61.300 -0.205 0.000 1.151 289 I CB 2.067 40.181 38.000 0.190 0.000 1.293 289 I HN 0.503 nan 8.210 nan 0.000 0.458 290 P HA -0.071 nan 4.420 nan 0.000 0.273 290 P C 0.306 177.580 177.300 -0.043 0.000 1.252 290 P CA -0.073 62.953 63.100 -0.125 0.000 0.809 290 P CB 1.341 32.985 31.700 -0.094 0.000 1.017 291 K N 0.441 120.844 120.400 0.005 0.000 2.031 291 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 291 K C 1.518 178.139 176.600 0.035 0.000 1.049 291 K CA 1.183 57.483 56.287 0.022 0.000 0.939 291 K CB -0.253 32.253 32.500 0.011 0.000 0.717 291 K HN 0.284 nan 8.250 nan 0.000 0.438 292 N N 1.149 119.886 118.700 0.061 0.000 2.521 292 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 292 N C -0.197 175.316 175.510 0.005 0.000 1.146 292 N CA 0.505 53.584 53.050 0.048 0.000 0.893 292 N CB -0.008 38.535 38.487 0.092 0.000 0.975 292 N HN 0.204 nan 8.380 nan 0.000 0.451 293 A N 1.317 124.126 122.820 -0.018 0.000 2.591 293 A HA -0.090 4.229 4.320 -0.000 0.000 0.244 293 A C 1.129 178.699 177.584 -0.024 0.000 1.031 293 A CA 0.253 52.262 52.037 -0.046 0.000 0.767 293 A CB 0.131 19.107 19.000 -0.041 0.000 0.942 293 A HN 0.298 nan 8.150 nan 0.000 0.514 294 E N 1.761 121.939 120.200 -0.037 0.000 2.158 294 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 294 E C -0.080 176.514 176.600 -0.010 0.000 0.982 294 E CA 1.188 57.577 56.400 -0.018 0.000 0.823 294 E CB 0.010 29.697 29.700 -0.021 0.000 0.766 294 E HN 0.873 nan 8.360 nan 0.000 0.468 295 N N 0.812 119.499 118.700 -0.020 0.000 2.886 295 N HA 0.180 4.919 4.740 -0.000 0.000 0.285 295 N C 0.172 175.688 175.510 0.011 0.000 1.706 295 N CA -0.236 52.813 53.050 -0.003 0.000 0.904 295 N CB 0.802 39.283 38.487 -0.009 0.000 1.224 295 N HN -0.028 nan 8.380 nan 0.000 0.488 296 R N 0.980 121.496 120.500 0.026 0.000 2.159 296 R HA -0.259 4.081 4.340 -0.000 0.000 0.249 296 R C 0.994 177.333 176.300 0.065 0.000 1.136 296 R CA 1.676 57.808 56.100 0.053 0.000 0.951 296 R CB -0.264 30.071 30.300 0.057 0.000 0.876 296 R HN 0.576 nan 8.270 nan 0.000 0.440 297 E N 0.649 120.884 120.200 0.058 0.000 2.110 297 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 297 E C 2.180 178.836 176.600 0.093 0.000 0.988 297 E CA 0.977 57.419 56.400 0.071 0.000 0.804 297 E CB -0.129 29.610 29.700 0.064 0.000 0.745 297 E HN 0.349 nan 8.360 nan 0.000 0.458 298 L N 0.635 121.907 121.223 0.082 0.000 2.156 298 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 298 L C 2.581 179.510 176.870 0.099 0.000 1.095 298 L CA 0.563 55.469 54.840 0.111 0.000 0.770 298 L CB -0.472 41.632 42.059 0.074 0.000 0.914 298 L HN 0.117 nan 8.230 nan 0.000 0.439 299 A N 0.382 123.230 122.820 0.047 0.000 1.849 299 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 299 A C 2.328 179.990 177.584 0.130 0.000 1.202 299 A CA 2.193 54.257 52.037 0.045 0.000 0.629 299 A CB -1.088 17.942 19.000 0.050 0.000 0.834 299 A HN 0.123 nan 8.150 nan 0.000 0.447 300 V N 0.567 120.561 119.914 0.132 0.000 2.236 300 V HA -0.365 3.755 4.120 -0.000 0.000 0.255 300 V C 2.618 178.797 176.094 0.141 0.000 1.068 300 V CA 2.542 64.917 62.300 0.126 0.000 1.044 300 V CB -1.029 30.846 31.823 0.086 0.000 0.653 300 V HN 0.599 nan 8.190 nan 0.000 0.448 301 E N -0.654 119.662 120.200 0.193 0.000 2.114 301 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 301 E C 1.956 178.772 176.600 0.360 0.000 1.008 301 E CA 1.902 58.474 56.400 0.287 0.000 0.810 301 E CB -0.583 29.336 29.700 0.365 0.000 0.739 301 E HN 0.669 nan 8.360 nan 0.000 0.456 302 F N 1.499 121.543 119.950 0.158 0.000 2.075 302 F HA -0.220 4.307 4.527 0.000 0.000 0.297 302 F C 2.369 178.109 175.800 -0.098 0.000 1.113 302 F CA 1.192 59.107 58.000 -0.140 0.000 1.218 302 F CB -0.437 38.202 39.000 -0.602 0.000 0.984 302 F HN -0.193 nan 8.300 nan 0.000 0.472 303 V N 0.967 120.842 119.914 -0.064 0.000 2.282 303 V HA -0.387 3.733 4.120 -0.000 0.000 0.249 303 V C 2.408 178.402 176.094 -0.167 0.000 1.057 303 V CA 2.412 64.636 62.300 -0.127 0.000 1.032 303 V CB -0.919 30.962 31.823 0.097 0.000 0.645 303 V HN 0.311 nan 8.190 nan 0.000 0.447 304 K N -0.343 120.023 120.400 -0.057 0.000 2.020 304 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 304 K C 2.158 178.715 176.600 -0.073 0.000 1.050 304 K CA 1.935 58.201 56.287 -0.035 0.000 0.929 304 K CB -0.580 31.934 32.500 0.023 0.000 0.714 304 K HN 0.352 nan 8.250 nan 0.000 0.443 305 L N 1.259 122.428 121.223 -0.090 0.000 2.042 305 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 305 L C 2.007 178.778 176.870 -0.165 0.000 1.076 305 L CA 1.516 56.307 54.840 -0.082 0.000 0.749 305 L CB -0.411 41.632 42.059 -0.026 0.000 0.893 305 L HN -0.075 nan 8.230 nan 0.000 0.432 306 V N 0.914 120.561 119.914 -0.445 0.000 2.332 306 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 306 V C 2.446 178.408 176.094 -0.220 0.000 1.055 306 V CA 2.280 64.226 62.300 -0.590 0.000 1.038 306 V CB -0.788 30.431 31.823 -1.007 0.000 0.651 306 V HN 0.694 nan 8.190 nan 0.000 0.450 307 I N -0.801 119.683 120.570 -0.143 0.000 3.427 307 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 307 I C 1.537 177.661 176.117 0.012 0.000 1.249 307 I CA 0.334 61.623 61.300 -0.020 0.000 1.421 307 I CB -0.431 37.569 38.000 -0.000 0.000 1.086 307 I HN 0.359 nan 8.210 nan 0.000 0.448 308 S N 1.524 117.224 115.700 0.000 0.000 2.587 308 S HA 0.035 4.505 4.470 -0.000 0.000 0.260 308 S C 1.019 175.637 174.600 0.031 0.000 1.353 308 S CA -0.098 58.111 58.200 0.015 0.000 0.995 308 S CB 0.969 64.177 63.200 0.014 0.000 0.912 308 S HN 0.392 nan 8.310 nan 0.000 0.568 309 E N 0.538 120.753 120.200 0.025 0.000 2.070 309 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 309 E C 2.003 178.621 176.600 0.030 0.000 1.004 309 E CA 1.612 58.028 56.400 0.026 0.000 0.805 309 E CB -0.264 29.446 29.700 0.016 0.000 0.744 309 E HN 0.894 nan 8.360 nan 0.000 0.451 310 E N 0.148 120.364 120.200 0.028 0.000 2.048 310 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 310 E C 2.166 178.791 176.600 0.042 0.000 1.021 310 E CA 1.616 58.031 56.400 0.026 0.000 0.825 310 E CB -0.332 29.387 29.700 0.031 0.000 0.756 310 E HN 0.280 nan 8.360 nan 0.000 0.454 311 G N 0.192 109.048 108.800 0.095 0.000 2.446 311 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 311 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 311 G C 1.438 176.437 174.900 0.164 0.000 1.168 311 G CA 1.131 46.364 45.100 0.222 0.000 0.771 311 G HN 0.386 nan 8.290 nan 0.000 0.551 312 Q N -0.236 119.630 119.800 0.110 0.000 2.181 312 Q HA -0.094 4.245 4.340 -0.000 0.000 0.205 312 Q C 2.407 178.432 176.000 0.041 0.000 0.980 312 Q CA 1.131 56.986 55.803 0.086 0.000 0.862 312 Q CB -0.099 28.677 28.738 0.063 0.000 0.905 312 Q HN 0.349 nan 8.270 nan 0.000 0.429 313 E N 0.862 121.073 120.200 0.017 0.000 2.076 313 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 313 E C 2.005 178.580 176.600 -0.042 0.000 0.979 313 E CA 0.425 56.820 56.400 -0.008 0.000 0.807 313 E CB -0.093 29.601 29.700 -0.009 0.000 0.761 313 E HN 0.359 nan 8.360 nan 0.000 0.454 314 I N 0.922 121.444 120.570 -0.079 0.000 2.068 314 I HA -0.364 3.806 4.170 -0.000 0.000 0.238 314 I C 2.484 178.498 176.117 -0.172 0.000 1.046 314 I CA 1.213 62.401 61.300 -0.186 0.000 1.306 314 I CB -0.318 37.448 38.000 -0.390 0.000 1.023 314 I HN 0.105 nan 8.210 nan 0.000 0.399 315 L N 0.006 121.154 121.223 -0.125 0.000 1.990 315 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 315 L C 2.777 179.621 176.870 -0.042 0.000 1.072 315 L CA 1.709 56.517 54.840 -0.053 0.000 0.755 315 L CB -0.596 41.502 42.059 0.066 0.000 0.889 315 L HN 0.233 nan 8.230 nan 0.000 0.432 316 R N -0.291 120.196 120.500 -0.023 0.000 2.120 316 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 316 R C 2.190 178.479 176.300 -0.018 0.000 1.123 316 R CA 1.134 57.225 56.100 -0.015 0.000 0.975 316 R CB -0.011 30.287 30.300 -0.003 0.000 0.866 316 R HN 0.343 nan 8.270 nan 0.000 0.446 317 E N 0.708 120.888 120.200 -0.032 0.000 2.077 317 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 317 E C 1.605 178.190 176.600 -0.024 0.000 0.989 317 E CA 1.044 57.426 56.400 -0.030 0.000 0.800 317 E CB -0.085 29.586 29.700 -0.048 0.000 0.746 317 E HN 0.419 nan 8.360 nan 0.000 0.452 318 L N 0.267 121.467 121.223 -0.037 0.000 2.682 318 L HA 0.121 4.461 4.340 -0.000 0.000 0.240 318 L C 1.108 177.978 176.870 -0.001 0.000 1.178 318 L CA 0.302 55.131 54.840 -0.019 0.000 0.970 318 L CB -0.544 41.493 42.059 -0.036 0.000 1.179 318 L HN 0.194 nan 8.230 nan 0.000 0.435 319 G N 0.326 109.126 108.800 -0.001 0.000 2.168 319 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 319 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 319 G C 0.172 175.062 174.900 -0.017 0.000 0.997 319 G CA 0.125 45.229 45.100 0.007 0.000 0.708 319 G HN 0.503 nan 8.290 nan 0.000 0.520 320 Q N 0.262 120.037 119.800 -0.041 0.000 2.348 320 Q HA 0.361 4.701 4.340 -0.000 0.000 0.265 320 Q C -0.423 175.534 176.000 -0.073 0.000 0.998 320 Q CA -0.771 54.980 55.803 -0.087 0.000 0.831 320 Q CB 0.701 29.352 28.738 -0.145 0.000 1.251 320 Q HN 0.267 nan 8.270 nan 0.000 0.456 321 E N 5.621 125.781 120.200 -0.067 0.000 2.351 321 E HA 0.118 4.468 4.350 -0.000 0.000 0.266 321 E C -2.243 174.325 176.600 -0.053 0.000 1.031 321 E CA -1.484 54.892 56.400 -0.040 0.000 0.911 321 E CB 0.491 30.178 29.700 -0.021 0.000 0.986 321 E HN 0.462 nan 8.360 nan 0.000 0.446 322 P HA 0.142 nan 4.420 nan 0.000 0.278 322 P C -0.333 176.971 177.300 0.008 0.000 1.258 322 P CA -0.713 62.395 63.100 0.013 0.000 0.811 322 P CB 0.908 32.646 31.700 0.065 0.000 1.063 323 L N 2.093 123.327 121.223 0.017 0.000 2.288 323 L HA 0.254 4.594 4.340 -0.000 0.000 0.283 323 L C -0.856 176.033 176.870 0.033 0.000 1.072 323 L CA -0.374 54.473 54.840 0.011 0.000 0.862 323 L CB -0.056 41.997 42.059 -0.010 0.000 1.245 323 L HN 0.009 nan 8.230 nan 0.000 0.432 324 V N 6.380 126.310 119.914 0.027 0.000 2.398 324 V HA 0.577 4.697 4.120 -0.000 0.000 0.286 324 V C -1.572 174.533 176.094 0.019 0.000 1.026 324 V CA -1.037 61.280 62.300 0.028 0.000 0.868 324 V CB 1.054 32.893 31.823 0.027 0.000 0.982 324 V HN 0.720 nan 8.190 nan 0.000 0.443 325 P HA 0.536 nan 4.420 nan 0.000 0.280 325 P C -2.775 174.542 177.300 0.028 0.000 1.272 325 P CA -1.801 61.313 63.100 0.023 0.000 0.819 325 P CB 0.871 32.581 31.700 0.017 0.000 1.122 326 P HA 0.129 nan 4.420 nan 0.000 0.272 326 P C -0.427 176.894 177.300 0.034 0.000 1.248 326 P CA 0.146 63.281 63.100 0.058 0.000 0.799 326 P CB 0.748 32.492 31.700 0.073 0.000 0.997 327 R N -1.214 119.309 120.500 0.039 0.000 2.710 327 R HA 0.782 5.122 4.340 -0.000 0.000 0.270 327 R C -1.270 175.060 176.300 0.050 0.000 1.021 327 R CA -0.876 55.234 56.100 0.017 0.000 0.889 327 R CB 2.194 32.474 30.300 -0.033 0.000 1.243 327 R HN 0.587 nan 8.270 nan 0.000 0.464 328 A N 0.601 123.453 122.820 0.053 0.000 2.515 328 A HA 0.346 4.666 4.320 -0.000 0.000 0.298 328 A C -0.466 177.182 177.584 0.106 0.000 1.059 328 A CA -0.744 51.359 52.037 0.111 0.000 0.698 328 A CB 1.342 20.396 19.000 0.091 0.000 1.289 328 A HN 0.882 nan 8.150 nan 0.000 0.404 329 D N 0.295 120.799 120.400 0.173 0.000 2.340 329 D HA 0.150 4.790 4.640 -0.000 0.000 0.220 329 D C 0.123 176.524 176.300 0.169 0.000 1.039 329 D CA 0.711 54.814 54.000 0.173 0.000 0.866 329 D CB 0.366 41.311 40.800 0.241 0.000 0.913 329 D HN 0.275 nan 8.370 nan 0.000 0.523 330 T N -0.351 114.297 114.554 0.157 0.000 2.886 330 T HA 0.542 4.892 4.350 -0.000 0.000 0.330 330 T C -1.291 173.432 174.700 0.039 0.000 1.488 330 T CA -0.515 61.651 62.100 0.111 0.000 1.054 330 T CB 1.819 70.777 68.868 0.150 0.000 1.348 330 T HN 0.187 nan 8.240 nan 0.000 0.489 331 A N 1.974 124.794 122.820 -0.001 0.000 2.546 331 A HA 0.513 4.833 4.320 -0.000 0.000 0.243 331 A C 0.035 177.538 177.584 -0.135 0.000 1.063 331 A CA 0.030 52.034 52.037 -0.055 0.000 0.757 331 A CB -0.108 18.866 19.000 -0.042 0.000 0.991 331 A HN 0.636 nan 8.150 nan 0.000 0.503 332 V N 6.505 126.282 119.914 -0.228 0.000 2.398 332 V HA 0.257 4.377 4.120 -0.000 0.000 0.286 332 V C -1.088 174.817 176.094 -0.316 0.000 1.026 332 V CA -1.037 60.999 62.300 -0.439 0.000 0.868 332 V CB 1.426 32.815 31.823 -0.723 0.000 0.982 332 V HN 0.937 nan 8.190 nan 0.000 0.443 333 P HA -0.165 nan 4.420 nan 0.000 0.203 333 P C 1.114 178.322 177.300 -0.155 0.000 1.087 333 P CA 1.477 64.473 63.100 -0.173 0.000 0.952 333 P CB 0.142 31.760 31.700 -0.136 0.000 0.758 334 S N -0.698 114.909 115.700 -0.155 0.000 2.786 334 S HA 0.148 4.617 4.470 -0.000 0.000 0.223 334 S C 1.435 175.963 174.600 -0.119 0.000 0.956 334 S CA 0.310 58.447 58.200 -0.105 0.000 0.961 334 S CB -0.818 62.346 63.200 -0.060 0.000 0.784 334 S HN 0.174 nan 8.310 nan 0.000 0.519 335 L N -0.147 120.971 121.223 -0.176 0.000 3.327 335 L HA 0.174 4.514 4.340 -0.000 0.000 0.299 335 L C 1.628 178.422 176.870 -0.127 0.000 1.201 335 L CA -0.081 54.666 54.840 -0.154 0.000 1.059 335 L CB 0.063 41.988 42.059 -0.224 0.000 1.488 335 L HN 0.169 nan 8.230 nan 0.000 0.609 336 K N 1.071 121.392 120.400 -0.131 0.000 2.589 336 K HA -0.036 4.284 4.320 -0.000 0.000 0.195 336 K C 1.511 178.076 176.600 -0.058 0.000 1.040 336 K CA 1.242 57.474 56.287 -0.092 0.000 0.950 336 K CB -0.126 32.322 32.500 -0.086 0.000 0.781 336 K HN 0.270 nan 8.250 nan 0.000 0.486 337 A N 1.138 123.926 122.820 -0.053 0.000 2.044 337 A HA 0.134 4.454 4.320 -0.000 0.000 0.213 337 A C 1.988 179.556 177.584 -0.026 0.000 1.169 337 A CA 0.217 52.234 52.037 -0.034 0.000 0.724 337 A CB 0.004 18.986 19.000 -0.030 0.000 0.840 337 A HN 0.232 nan 8.150 nan 0.000 0.463 338 M N -0.415 119.166 119.600 -0.031 0.000 2.414 338 M HA 0.218 4.697 4.480 -0.000 0.000 0.251 338 M C -0.377 175.916 176.300 -0.012 0.000 1.116 338 M CA 0.782 56.071 55.300 -0.018 0.000 1.056 338 M CB 0.263 32.851 32.600 -0.019 0.000 1.388 338 M HN 0.041 nan 8.290 nan 0.000 0.487 339 V N 1.002 120.903 119.914 -0.022 0.000 2.577 339 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 339 V C -0.430 175.657 176.094 -0.012 0.000 1.042 339 V CA -1.037 61.258 62.300 -0.008 0.000 0.872 339 V CB 2.476 34.297 31.823 -0.003 0.000 0.998 339 V HN 0.207 nan 8.190 nan 0.000 0.423 340 E N 3.506 123.706 120.200 -0.001 0.000 2.089 340 E HA 0.365 4.715 4.350 -0.000 0.000 0.284 340 E C -0.576 176.026 176.600 0.004 0.000 1.023 340 E CA -0.628 55.770 56.400 -0.002 0.000 0.819 340 E CB 1.506 31.206 29.700 0.000 0.000 1.076 340 E HN 0.580 nan 8.360 nan 0.000 0.396 341 V N 5.558 125.475 119.914 0.004 0.000 2.500 341 V HA -0.081 4.039 4.120 -0.000 0.000 0.267 341 V C 0.644 176.747 176.094 0.016 0.000 0.977 341 V CA 0.546 62.856 62.300 0.016 0.000 1.151 341 V CB -1.044 30.791 31.823 0.018 0.000 1.013 341 V HN 0.659 nan 8.190 nan 0.000 0.467 342 S N 0.000 115.708 115.700 0.014 0.000 2.498 342 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 342 S CA 0.000 58.205 58.200 0.009 0.000 1.107 342 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 342 S HN 0.000 nan 8.310 nan 0.000 0.517