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 1y4c_1_A DATA FIRST_RESID 4 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDEALKD AQTNSSSXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXLGI EGRSSEELLK DATA SEQUENCE IALQEAQKTL QQAQELAKKG GGEEQLKRAL KRADRNLWAA QELAKKGGGG DATA SEQUENCE EELLKQALQQ AQQLLRQAQE LAKKGGGEEL LKQALQQAQQ LLQQAQELAK 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.598 176.600 -0.004 0.000 1.382 4 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 4 E CB 0.000 29.694 29.700 -0.011 0.000 0.812 5 G N 1.229 110.027 108.800 -0.003 0.000 5.413 5 G HA2 0.126 4.086 3.960 0.000 0.000 0.206 5 G HA3 0.126 4.086 3.960 0.000 0.000 0.206 5 G C -0.846 174.056 174.900 0.003 0.000 0.794 5 G CA -0.041 45.059 45.100 0.001 0.000 0.751 5 G HN 0.072 nan 8.290 nan 0.000 0.334 6 K N 0.539 120.941 120.400 0.002 0.000 2.572 6 K HA 0.572 4.892 4.320 0.000 0.000 0.263 6 K C -1.589 174.998 176.600 -0.021 0.000 0.932 6 K CA -0.793 55.493 56.287 -0.002 0.000 0.838 6 K CB 1.671 34.165 32.500 -0.009 0.000 1.366 6 K HN 0.035 nan 8.250 nan 0.000 0.425 7 L N 3.865 125.063 121.223 -0.042 0.000 2.296 7 L HA 0.509 4.849 4.340 0.000 0.000 0.286 7 L C -0.688 176.115 176.870 -0.112 0.000 1.023 7 L CA -1.192 53.584 54.840 -0.107 0.000 0.812 7 L CB 1.877 43.804 42.059 -0.221 0.000 1.223 7 L HN 0.336 nan 8.230 nan 0.000 0.421 8 V N 5.236 125.090 119.914 -0.100 0.000 2.398 8 V HA 0.475 4.595 4.120 0.000 0.000 0.286 8 V C 0.057 176.112 176.094 -0.064 0.000 1.026 8 V CA -0.350 61.913 62.300 -0.061 0.000 0.868 8 V CB 1.935 33.718 31.823 -0.066 0.000 0.982 8 V HN 0.508 nan 8.190 nan 0.000 0.443 9 I N 3.687 124.283 120.570 0.044 0.000 2.509 9 I HA 0.463 4.633 4.170 0.000 0.000 0.293 9 I C -1.174 175.178 176.117 0.391 0.000 1.020 9 I CA -0.434 60.954 61.300 0.147 0.000 1.088 9 I CB 2.198 40.264 38.000 0.111 0.000 1.267 9 I HN 0.506 nan 8.210 nan 0.000 0.430 10 W N 7.171 128.546 121.300 0.125 0.000 2.529 10 W HA 0.708 5.368 4.660 0.000 0.000 0.321 10 W C -0.481 176.150 176.519 0.186 0.000 1.047 10 W CA -0.993 56.416 57.345 0.108 0.000 1.216 10 W CB 1.430 30.942 29.460 0.088 0.000 1.357 10 W HN 0.204 nan 8.180 nan 0.000 0.489 11 I N 3.065 123.804 120.570 0.283 0.000 2.913 11 I HA 0.309 4.479 4.170 0.000 0.000 0.302 11 I C -0.345 175.849 176.117 0.128 0.000 1.246 11 I CA -0.860 60.554 61.300 0.191 0.000 1.010 11 I CB 1.784 39.741 38.000 -0.071 0.000 1.259 11 I HN 0.236 nan 8.210 nan 0.000 0.434 12 N N 3.182 121.938 118.700 0.093 0.000 2.441 12 N HA 0.172 4.912 4.740 0.000 0.000 0.251 12 N C 1.072 176.562 175.510 -0.033 0.000 1.242 12 N CA 1.203 54.265 53.050 0.019 0.000 0.898 12 N CB 1.452 39.834 38.487 -0.175 0.000 1.100 12 N HN 0.752 nan 8.380 nan 0.000 0.443 13 G N 0.962 109.738 108.800 -0.039 0.000 2.498 13 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 13 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 13 G C 0.657 175.533 174.900 -0.041 0.000 1.119 13 G CA 0.957 46.022 45.100 -0.059 0.000 0.766 13 G HN 0.820 nan 8.290 nan 0.000 0.552 14 D N -0.454 119.830 120.400 -0.194 0.000 2.339 14 D HA 0.066 4.706 4.640 0.000 0.000 0.217 14 D C 0.938 177.121 176.300 -0.196 0.000 1.050 14 D CA 0.179 54.031 54.000 -0.247 0.000 0.856 14 D CB 0.219 40.690 40.800 -0.549 0.000 0.922 14 D HN 0.033 nan 8.370 nan 0.000 0.518 15 K N 0.264 120.565 120.400 -0.165 0.000 2.177 15 K HA 0.521 4.841 4.320 0.000 0.000 0.238 15 K C 0.929 177.443 176.600 -0.144 0.000 1.015 15 K CA -0.708 55.505 56.287 -0.124 0.000 0.922 15 K CB 0.512 32.926 32.500 -0.143 0.000 1.127 15 K HN 0.021 nan 8.250 nan 0.000 0.469 16 G N 1.738 110.455 108.800 -0.139 0.000 3.213 16 G HA2 0.105 4.065 3.960 0.000 0.000 0.263 16 G HA3 0.105 4.065 3.960 0.000 0.000 0.263 16 G C 0.738 175.519 174.900 -0.197 0.000 0.829 16 G CA -0.220 44.753 45.100 -0.212 0.000 1.983 16 G HN 0.584 nan 8.290 nan 0.000 0.616 17 Y N -0.547 119.678 120.300 -0.126 0.000 2.403 17 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 17 Y C 1.981 177.850 175.900 -0.050 0.000 1.143 17 Y CA 1.054 59.091 58.100 -0.106 0.000 1.257 17 Y CB -0.553 37.847 38.460 -0.101 0.000 0.984 17 Y HN 0.393 nan 8.280 nan 0.000 0.550 18 N N 0.466 119.057 118.700 -0.182 0.000 2.250 18 N HA -0.025 4.715 4.740 0.000 0.000 0.181 18 N C 2.175 177.674 175.510 -0.018 0.000 1.017 18 N CA 0.755 53.780 53.050 -0.042 0.000 0.866 18 N CB -0.381 38.019 38.487 -0.144 0.000 0.985 18 N HN 0.536 nan 8.380 nan 0.000 0.429 19 G N 1.026 109.789 108.800 -0.061 0.000 2.408 19 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 19 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 19 G C 1.421 176.332 174.900 0.017 0.000 1.150 19 G CA 0.283 45.371 45.100 -0.019 0.000 0.776 19 G HN 0.144 nan 8.290 nan 0.000 0.542 20 L N 1.263 122.494 121.223 0.013 0.000 2.141 20 L HA 0.256 4.596 4.340 0.000 0.000 0.209 20 L C 2.939 179.879 176.870 0.116 0.000 1.094 20 L CA 1.826 56.698 54.840 0.054 0.000 0.763 20 L CB -0.513 41.530 42.059 -0.027 0.000 0.908 20 L HN 0.205 nan 8.230 nan 0.000 0.437 21 A N -0.950 121.929 122.820 0.098 0.000 1.969 21 A HA -0.123 4.197 4.320 0.000 0.000 0.218 21 A C 2.072 179.721 177.584 0.108 0.000 1.169 21 A CA 1.378 53.476 52.037 0.103 0.000 0.635 21 A CB -0.421 18.643 19.000 0.107 0.000 0.810 21 A HN 0.499 nan 8.150 nan 0.000 0.445 22 E N -0.021 120.237 120.200 0.095 0.000 2.106 22 E HA -0.090 4.260 4.350 0.000 0.000 0.192 22 E C 2.142 178.823 176.600 0.135 0.000 0.984 22 E CA 1.213 57.670 56.400 0.094 0.000 0.806 22 E CB -0.658 29.081 29.700 0.064 0.000 0.750 22 E HN 0.409 nan 8.360 nan 0.000 0.458 23 V N 0.999 121.010 119.914 0.162 0.000 2.427 23 V HA -0.142 3.978 4.120 0.000 0.000 0.248 23 V C 2.376 178.687 176.094 0.361 0.000 1.051 23 V CA 1.857 64.291 62.300 0.224 0.000 1.048 23 V CB -1.012 30.917 31.823 0.177 0.000 0.666 23 V HN 0.316 nan 8.190 nan 0.000 0.456 24 G N -0.216 108.785 108.800 0.336 0.000 2.432 24 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 24 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 24 G C 1.660 176.688 174.900 0.213 0.000 1.135 24 G CA 0.676 45.934 45.100 0.263 0.000 0.767 24 G HN 0.476 nan 8.290 nan 0.000 0.550 25 K N 0.129 120.628 120.400 0.165 0.000 2.097 25 K HA -0.021 4.299 4.320 0.000 0.000 0.205 25 K C 2.387 179.071 176.600 0.140 0.000 1.050 25 K CA 1.166 57.527 56.287 0.124 0.000 0.938 25 K CB -0.091 32.466 32.500 0.096 0.000 0.718 25 K HN 0.260 nan 8.250 nan 0.000 0.442 26 K N 0.382 120.896 120.400 0.191 0.000 2.097 26 K HA -0.142 4.178 4.320 0.000 0.000 0.205 26 K C 1.941 178.675 176.600 0.223 0.000 1.050 26 K CA 0.993 57.414 56.287 0.223 0.000 0.938 26 K CB -0.094 32.581 32.500 0.292 0.000 0.718 26 K HN 0.013 nan 8.250 nan 0.000 0.442 27 F N 2.341 122.269 119.950 -0.036 0.000 2.146 27 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 27 F C 2.364 178.063 175.800 -0.169 0.000 1.096 27 F CA 1.552 59.319 58.000 -0.388 0.000 1.275 27 F CB -0.186 38.653 39.000 -0.268 0.000 1.008 27 F HN 0.110 nan 8.300 nan 0.000 0.480 28 E N 0.764 120.981 120.200 0.029 0.000 2.085 28 E HA -0.220 4.131 4.350 0.000 0.000 0.194 28 E C 2.040 178.590 176.600 -0.084 0.000 0.994 28 E CA 1.200 57.572 56.400 -0.047 0.000 0.801 28 E CB -0.129 29.591 29.700 0.033 0.000 0.743 28 E HN 0.276 nan 8.360 nan 0.000 0.453 29 K N 0.709 121.094 120.400 -0.025 0.000 2.097 29 K HA -0.118 4.202 4.320 0.000 0.000 0.206 29 K C 1.667 178.244 176.600 -0.038 0.000 1.049 29 K CA 1.211 57.491 56.287 -0.011 0.000 0.933 29 K CB -0.201 32.320 32.500 0.035 0.000 0.717 29 K HN 0.198 nan 8.250 nan 0.000 0.442 30 D N -0.640 119.721 120.400 -0.065 0.000 2.271 30 D HA -0.048 4.592 4.640 0.000 0.000 0.206 30 D C 1.700 177.898 176.300 -0.171 0.000 0.967 30 D CA 1.261 55.224 54.000 -0.061 0.000 0.867 30 D CB 0.307 41.149 40.800 0.071 0.000 0.960 30 D HN 0.372 nan 8.370 nan 0.000 0.509 31 T N -4.451 109.900 114.554 -0.338 0.000 2.955 31 T HA 0.365 4.715 4.350 0.000 0.000 0.251 31 T C 1.690 176.249 174.700 -0.235 0.000 1.002 31 T CA 0.720 62.600 62.100 -0.367 0.000 0.970 31 T CB 1.017 69.436 68.868 -0.748 0.000 1.091 31 T HN 0.122 nan 8.240 nan 0.000 0.495 32 G N 1.401 110.085 108.800 -0.192 0.000 2.176 32 G HA2 -0.169 3.791 3.960 0.000 0.000 0.253 32 G HA3 -0.169 3.791 3.960 0.000 0.000 0.253 32 G C -0.203 174.643 174.900 -0.091 0.000 0.979 32 G CA 0.019 45.055 45.100 -0.107 0.000 0.641 32 G HN 0.588 nan 8.290 nan 0.000 0.530 33 I N 1.440 121.931 120.570 -0.132 0.000 2.304 33 I HA 0.355 4.525 4.170 0.000 0.000 0.291 33 I C 0.692 176.825 176.117 0.027 0.000 1.018 33 I CA -0.741 60.539 61.300 -0.034 0.000 1.260 33 I CB 1.558 39.578 38.000 0.034 0.000 1.390 33 I HN 0.146 nan 8.210 nan 0.000 0.475 34 K N 5.402 125.813 120.400 0.019 0.000 2.350 34 K HA 0.422 4.742 4.320 0.000 0.000 0.279 34 K C -1.089 175.521 176.600 0.017 0.000 1.027 34 K CA -0.242 56.058 56.287 0.022 0.000 0.969 34 K CB 0.703 33.208 32.500 0.008 0.000 0.954 34 K HN 0.404 nan 8.250 nan 0.000 0.474 35 V N 3.984 123.901 119.914 0.006 0.000 2.378 35 V HA 0.203 4.323 4.120 0.000 0.000 0.288 35 V C -0.527 175.544 176.094 -0.039 0.000 1.016 35 V CA -0.755 61.504 62.300 -0.068 0.000 0.840 35 V CB 1.675 33.406 31.823 -0.154 0.000 0.994 35 V HN 0.831 nan 8.190 nan 0.000 0.431 36 T N 4.657 119.190 114.554 -0.034 0.000 2.771 36 T HA 0.573 4.923 4.350 0.000 0.000 0.281 36 T C -0.253 174.464 174.700 0.029 0.000 0.982 36 T CA -0.356 61.749 62.100 0.008 0.000 0.978 36 T CB 1.643 70.524 68.868 0.023 0.000 0.930 36 T HN 0.323 nan 8.240 nan 0.000 0.447 37 V N 4.171 124.116 119.914 0.052 0.000 2.435 37 V HA 0.467 4.587 4.120 0.000 0.000 0.290 37 V C 0.027 176.163 176.094 0.070 0.000 1.030 37 V CA -0.697 61.653 62.300 0.084 0.000 0.881 37 V CB 1.506 33.386 31.823 0.094 0.000 0.983 37 V HN 0.857 nan 8.190 nan 0.000 0.445 38 E N 2.586 122.840 120.200 0.091 0.000 2.312 38 E HA 0.570 4.920 4.350 0.000 0.000 0.267 38 E C -1.324 175.157 176.600 -0.199 0.000 0.894 38 E CA -0.824 55.510 56.400 -0.109 0.000 0.773 38 E CB 2.314 31.948 29.700 -0.110 0.000 1.241 38 E HN 0.999 nan 8.360 nan 0.000 0.432 39 H N -1.000 117.820 119.070 -0.416 0.000 2.380 39 H HA 0.395 4.951 4.556 0.000 0.000 0.231 39 H C -2.786 172.302 175.328 -0.399 0.000 1.415 39 H CA -2.268 53.539 56.048 -0.401 0.000 1.433 39 H CB -0.312 29.151 29.762 -0.497 0.000 1.544 39 H HN 0.128 nan 8.280 nan 0.000 0.503 40 P HA 0.022 nan 4.420 nan 0.000 0.270 40 P C 0.039 177.162 177.300 -0.295 0.000 1.223 40 P CA -0.103 62.677 63.100 -0.534 0.000 0.785 40 P CB 0.895 32.071 31.700 -0.874 0.000 0.923 41 D N 1.978 122.244 120.400 -0.223 0.000 2.339 41 D HA 0.027 4.667 4.640 0.000 0.000 0.245 41 D C 0.520 176.747 176.300 -0.123 0.000 1.115 41 D CA 0.014 53.938 54.000 -0.125 0.000 0.917 41 D CB 0.376 41.118 40.800 -0.097 0.000 1.192 41 D HN 0.280 nan 8.370 nan 0.000 0.428 42 K N 0.944 121.299 120.400 -0.075 0.000 3.071 42 K HA -0.209 4.111 4.320 0.000 0.000 0.262 42 K C 1.092 177.612 176.600 -0.133 0.000 0.977 42 K CA 0.012 56.247 56.287 -0.088 0.000 0.721 42 K CB -1.214 31.239 32.500 -0.077 0.000 1.293 42 K HN 0.418 nan 8.250 nan 0.000 0.475 43 L N 1.794 122.943 121.223 -0.123 0.000 2.043 43 L HA -0.206 4.134 4.340 0.000 0.000 0.212 43 L C 2.470 179.223 176.870 -0.195 0.000 1.075 43 L CA 2.646 57.422 54.840 -0.107 0.000 0.752 43 L CB -0.293 41.799 42.059 0.055 0.000 0.891 43 L HN 0.430 nan 8.230 nan 0.000 0.432 44 E N -1.036 118.804 120.200 -0.601 0.000 2.265 44 E HA -0.233 4.117 4.350 0.000 0.000 0.196 44 E C 1.374 177.826 176.600 -0.246 0.000 0.996 44 E CA 1.489 57.436 56.400 -0.754 0.000 0.832 44 E CB -0.342 28.551 29.700 -1.345 0.000 0.756 44 E HN 0.633 nan 8.360 nan 0.000 0.491 45 E N 0.827 120.920 120.200 -0.178 0.000 2.290 45 E HA 0.071 4.421 4.350 0.000 0.000 0.197 45 E C 1.831 178.397 176.600 -0.056 0.000 0.948 45 E CA 0.306 56.649 56.400 -0.095 0.000 0.895 45 E CB -0.003 29.633 29.700 -0.106 0.000 0.865 45 E HN 0.275 nan 8.360 nan 0.000 0.486 46 K N 0.369 120.750 120.400 -0.032 0.000 2.057 46 K HA -0.105 4.215 4.320 0.000 0.000 0.206 46 K C 2.053 178.730 176.600 0.128 0.000 1.050 46 K CA 0.823 57.129 56.287 0.031 0.000 0.935 46 K CB -0.181 32.314 32.500 -0.008 0.000 0.715 46 K HN -0.018 nan 8.250 nan 0.000 0.439 47 F N 2.810 122.799 119.950 0.066 0.000 2.065 47 F HA -0.143 4.384 4.527 0.000 0.000 0.298 47 F C -1.250 174.377 175.800 -0.289 0.000 1.112 47 F CA 1.319 59.283 58.000 -0.060 0.000 1.212 47 F CB -0.939 37.921 39.000 -0.233 0.000 0.975 47 F HN 0.085 nan 8.300 nan 0.000 0.476 48 P HA -0.219 nan 4.420 nan 0.000 0.218 48 P C 1.509 178.577 177.300 -0.386 0.000 1.149 48 P CA 1.537 64.300 63.100 -0.562 0.000 0.817 48 P CB -0.360 31.215 31.700 -0.208 0.000 0.785 49 Q N 0.847 120.498 119.800 -0.248 0.000 2.016 49 Q HA -0.091 4.249 4.340 0.000 0.000 0.200 49 Q C 2.157 178.038 176.000 -0.199 0.000 0.978 49 Q CA 2.303 58.002 55.803 -0.173 0.000 0.833 49 Q CB -0.592 28.084 28.738 -0.102 0.000 0.895 49 Q HN 0.200 nan 8.270 nan 0.000 0.427 50 V N -1.512 118.274 119.914 -0.212 0.000 2.488 50 V HA 0.046 4.166 4.120 0.000 0.000 0.246 50 V C 2.336 178.231 176.094 -0.332 0.000 1.046 50 V CA 1.562 63.739 62.300 -0.205 0.000 1.053 50 V CB -1.371 30.390 31.823 -0.103 0.000 0.679 50 V HN 0.303 nan 8.190 nan 0.000 0.458 51 A N 0.802 123.277 122.820 -0.576 0.000 2.015 51 A HA 0.154 4.474 4.320 0.000 0.000 0.219 51 A C 2.445 179.790 177.584 -0.397 0.000 1.163 51 A CA 1.898 53.558 52.037 -0.628 0.000 0.646 51 A CB -0.920 17.366 19.000 -1.190 0.000 0.806 51 A HN 0.940 nan 8.150 nan 0.000 0.448 52 A N -0.165 122.449 122.820 -0.344 0.000 2.019 52 A HA -0.084 4.236 4.320 0.000 0.000 0.219 52 A C 2.172 179.658 177.584 -0.163 0.000 1.164 52 A CA 2.164 54.069 52.037 -0.220 0.000 0.644 52 A CB -1.055 17.837 19.000 -0.180 0.000 0.805 52 A HN 0.808 nan 8.150 nan 0.000 0.449 53 T N -4.758 109.698 114.554 -0.164 0.000 3.163 53 T HA 0.433 4.783 4.350 0.000 0.000 0.252 53 T C 1.181 175.810 174.700 -0.119 0.000 1.056 53 T CA 0.954 62.982 62.100 -0.120 0.000 0.947 53 T CB 0.022 68.829 68.868 -0.101 0.000 1.016 53 T HN 1.680 nan 8.240 nan 0.000 0.554 54 G N 0.782 109.494 108.800 -0.147 0.000 2.141 54 G HA2 -0.183 3.777 3.960 0.000 0.000 0.242 54 G HA3 -0.183 3.777 3.960 0.000 0.000 0.242 54 G C -0.252 174.563 174.900 -0.141 0.000 0.982 54 G CA 0.167 45.188 45.100 -0.131 0.000 0.662 54 G HN 0.585 nan 8.290 nan 0.000 0.527 55 D N -0.243 120.051 120.400 -0.176 0.000 2.607 55 D HA 0.659 5.299 4.640 0.000 0.000 0.253 55 D C 1.012 177.150 176.300 -0.271 0.000 1.171 55 D CA 0.757 54.651 54.000 -0.177 0.000 1.084 55 D CB 0.880 41.601 40.800 -0.131 0.000 1.203 55 D HN 1.385 nan 8.370 nan 0.000 0.629 56 G N 0.485 109.103 108.800 -0.303 0.000 2.685 56 G HA2 -0.083 3.877 3.960 0.000 0.000 0.387 56 G HA3 -0.083 3.877 3.960 0.000 0.000 0.387 56 G C -2.774 171.768 174.900 -0.595 0.000 1.324 56 G CA -0.711 44.052 45.100 -0.562 0.000 0.878 56 G HN 0.394 nan 8.290 nan 0.000 0.527 57 P HA 0.326 nan 4.420 nan 0.000 0.276 57 P C -0.015 177.105 177.300 -0.299 0.000 1.261 57 P CA -0.131 62.565 63.100 -0.672 0.000 0.800 57 P CB 0.933 32.000 31.700 -1.056 0.000 1.066 58 D N -0.371 119.911 120.400 -0.197 0.000 2.194 58 D HA 0.089 4.729 4.640 0.000 0.000 0.204 58 D C 0.676 176.932 176.300 -0.073 0.000 0.964 58 D CA 1.301 55.236 54.000 -0.109 0.000 0.846 58 D CB 0.362 41.106 40.800 -0.094 0.000 0.962 58 D HN 0.332 nan 8.370 nan 0.000 0.490 59 I N 1.112 121.636 120.570 -0.077 0.000 2.545 59 I HA 0.342 4.512 4.170 0.000 0.000 0.292 59 I C -0.679 175.432 176.117 -0.009 0.000 1.040 59 I CA -0.733 60.552 61.300 -0.025 0.000 1.068 59 I CB 3.277 41.309 38.000 0.054 0.000 1.251 59 I HN -0.195 nan 8.210 nan 0.000 0.424 60 I N 5.251 125.759 120.570 -0.103 0.000 2.509 60 I HA 0.498 4.668 4.170 0.000 0.000 0.293 60 I C -1.621 174.576 176.117 0.133 0.000 1.020 60 I CA -0.502 60.748 61.300 -0.083 0.000 1.088 60 I CB 1.754 39.268 38.000 -0.810 0.000 1.267 60 I HN 0.362 nan 8.210 nan 0.000 0.430 61 F N 7.679 127.768 119.950 0.232 0.000 2.458 61 F HA 0.591 5.118 4.527 0.000 0.000 0.336 61 F C -0.456 175.611 175.800 0.445 0.000 1.114 61 F CA -0.154 58.029 58.000 0.305 0.000 0.987 61 F CB 1.459 40.570 39.000 0.186 0.000 1.130 61 F HN 0.449 nan 8.300 nan 0.000 0.458 62 W N 1.842 123.389 121.300 0.412 0.000 3.064 62 W HA 0.575 5.235 4.660 0.000 0.000 0.328 62 W C -1.436 175.212 176.519 0.215 0.000 1.210 62 W CA -1.271 56.254 57.345 0.300 0.000 1.178 62 W CB 1.299 30.960 29.460 0.335 0.000 1.416 62 W HN 0.681 nan 8.180 nan 0.000 0.568 63 A N 1.371 124.020 122.820 -0.284 0.000 2.466 63 A HA 0.071 4.391 4.320 0.000 0.000 0.238 63 A C 1.016 178.705 177.584 0.174 0.000 1.074 63 A CA 1.137 53.126 52.037 -0.080 0.000 0.774 63 A CB -0.132 18.729 19.000 -0.231 0.000 1.015 63 A HN 0.851 nan 8.150 nan 0.000 0.498 64 H N 0.413 119.480 119.070 -0.006 0.000 2.489 64 H HA -0.149 4.407 4.556 -0.000 0.000 0.295 64 H C 1.217 176.635 175.328 0.150 0.000 1.082 64 H CA 1.413 57.431 56.048 -0.050 0.000 1.295 64 H CB -0.107 29.592 29.762 -0.106 0.000 1.380 64 H HN 0.754 nan 8.280 nan 0.000 0.548 65 D N 1.260 121.375 120.400 -0.474 0.000 2.221 65 D HA -0.203 4.437 4.640 0.000 0.000 0.204 65 D C 1.666 177.932 176.300 -0.057 0.000 0.982 65 D CA 0.804 54.647 54.000 -0.263 0.000 0.857 65 D CB -0.223 40.475 40.800 -0.169 0.000 0.934 65 D HN 0.408 nan 8.370 nan 0.000 0.475 66 R N -0.680 119.826 120.500 0.010 0.000 2.200 66 R HA 0.057 4.397 4.340 0.000 0.000 0.208 66 R C 2.052 177.912 176.300 -0.734 0.000 1.033 66 R CA 0.047 55.925 56.100 -0.369 0.000 1.000 66 R CB -0.541 29.420 30.300 -0.565 0.000 0.906 66 R HN 0.252 nan 8.270 nan 0.000 0.462 67 F N 0.446 120.120 119.950 -0.461 0.000 2.293 67 F HA -0.017 4.510 4.527 0.000 0.000 0.300 67 F C 2.471 178.083 175.800 -0.314 0.000 1.086 67 F CA 1.256 59.068 58.000 -0.315 0.000 1.375 67 F CB -0.845 38.129 39.000 -0.044 0.000 1.045 67 F HN 0.111 nan 8.300 nan 0.000 0.516 68 G N -0.297 108.380 108.800 -0.204 0.000 2.418 68 G HA2 -0.154 3.806 3.960 0.000 0.000 0.217 68 G HA3 -0.154 3.806 3.960 0.000 0.000 0.217 68 G C 2.079 176.587 174.900 -0.653 0.000 1.158 68 G CA 0.814 45.539 45.100 -0.624 0.000 0.771 68 G HN 0.493 nan 8.290 nan 0.000 0.545 69 G N -0.120 108.457 108.800 -0.371 0.000 2.402 69 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 69 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 69 G C 1.622 176.471 174.900 -0.085 0.000 1.162 69 G CA 0.949 45.915 45.100 -0.223 0.000 0.777 69 G HN 0.365 nan 8.290 nan 0.000 0.539 70 Y N 1.328 121.527 120.300 -0.169 0.000 2.181 70 Y HA 0.061 4.611 4.550 -0.000 0.000 0.288 70 Y C 3.119 178.956 175.900 -0.105 0.000 1.146 70 Y CA 0.095 58.124 58.100 -0.118 0.000 1.164 70 Y CB -1.205 37.175 38.460 -0.133 0.000 0.982 70 Y HN 0.265 nan 8.280 nan 0.000 0.515 71 A N -0.111 122.706 122.820 -0.004 0.000 1.902 71 A HA -0.267 4.053 4.320 0.000 0.000 0.217 71 A C 2.299 179.881 177.584 -0.004 0.000 1.181 71 A CA 1.813 53.839 52.037 -0.019 0.000 0.623 71 A CB -0.891 18.053 19.000 -0.094 0.000 0.818 71 A HN 0.528 nan 8.150 nan 0.000 0.443 72 Q N -0.226 119.509 119.800 -0.108 0.000 2.124 72 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 72 Q C 1.649 177.677 176.000 0.046 0.000 0.977 72 Q CA 1.697 57.531 55.803 0.052 0.000 0.850 72 Q CB -0.115 28.646 28.738 0.038 0.000 0.901 72 Q HN 0.571 nan 8.270 nan 0.000 0.429 73 S N -0.802 114.909 115.700 0.019 0.000 2.603 73 S HA 0.134 4.604 4.470 0.000 0.000 0.220 73 S C 0.866 175.466 174.600 0.001 0.000 0.967 73 S CA 0.562 58.767 58.200 0.008 0.000 0.920 73 S CB 0.372 63.570 63.200 -0.004 0.000 0.773 73 S HN 0.700 nan 8.310 nan 0.000 0.529 74 G N 1.454 110.268 108.800 0.023 0.000 2.176 74 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 74 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 74 G C 0.441 175.341 174.900 -0.001 0.000 1.024 74 G CA 0.328 45.440 45.100 0.020 0.000 0.755 74 G HN 0.534 nan 8.290 nan 0.000 0.507 75 L N -1.212 120.012 121.223 0.003 0.000 2.567 75 L HA 0.405 4.745 4.340 0.000 0.000 0.225 75 L C 1.150 178.059 176.870 0.064 0.000 1.119 75 L CA 0.281 55.102 54.840 -0.032 0.000 0.871 75 L CB 0.042 42.026 42.059 -0.125 0.000 1.036 75 L HN 0.211 nan 8.230 nan 0.000 0.459 76 L N 0.121 121.400 121.223 0.094 0.000 2.346 76 L HA 0.639 4.979 4.340 0.000 0.000 0.276 76 L C 0.193 177.120 176.870 0.094 0.000 1.006 76 L CA -0.619 54.292 54.840 0.119 0.000 0.817 76 L CB 1.866 44.024 42.059 0.164 0.000 1.272 76 L HN -0.103 nan 8.230 nan 0.000 0.421 77 A N 2.058 124.931 122.820 0.088 0.000 2.371 77 A HA 0.251 4.571 4.320 0.000 0.000 0.257 77 A C -0.034 177.596 177.584 0.077 0.000 1.089 77 A CA -0.277 51.803 52.037 0.071 0.000 0.794 77 A CB 0.425 19.464 19.000 0.064 0.000 1.029 77 A HN 0.789 nan 8.150 nan 0.000 0.488 78 E N 0.955 121.191 120.200 0.059 0.000 2.344 78 E HA 0.339 4.689 4.350 0.000 0.000 0.270 78 E C -0.208 176.410 176.600 0.030 0.000 1.021 78 E CA -0.247 56.181 56.400 0.047 0.000 0.887 78 E CB 0.270 29.991 29.700 0.036 0.000 0.997 78 E HN 0.548 nan 8.360 nan 0.000 0.429 79 I N 1.455 122.021 120.570 -0.006 0.000 2.499 79 I HA 0.362 4.532 4.170 0.000 0.000 0.296 79 I C 0.170 176.251 176.117 -0.060 0.000 0.992 79 I CA -0.594 60.679 61.300 -0.046 0.000 1.297 79 I CB 1.731 39.576 38.000 -0.258 0.000 1.410 79 I HN 0.389 nan 8.210 nan 0.000 0.507 80 T N 1.906 116.452 114.554 -0.014 0.000 3.438 80 T HA 0.449 4.799 4.350 0.000 0.000 0.244 80 T C -2.265 172.430 174.700 -0.009 0.000 1.269 80 T CA -1.327 60.760 62.100 -0.022 0.000 1.371 80 T CB -0.275 68.594 68.868 0.003 0.000 1.002 80 T HN 0.589 nan 8.240 nan 0.000 0.637 81 P HA 0.299 nan 4.420 nan 0.000 0.280 81 P C -0.403 176.907 177.300 0.017 0.000 1.244 81 P CA -0.170 62.954 63.100 0.041 0.000 0.784 81 P CB 1.002 32.814 31.700 0.186 0.000 0.913 82 D N 1.625 122.067 120.400 0.070 0.000 2.398 82 D HA 0.028 4.668 4.640 0.000 0.000 0.247 82 D C 1.282 177.608 176.300 0.043 0.000 1.227 82 D CA -0.511 53.514 54.000 0.041 0.000 0.980 82 D CB 0.670 41.502 40.800 0.052 0.000 1.106 82 D HN 0.129 nan 8.370 nan 0.000 0.493 83 K N 0.277 120.677 120.400 -0.000 0.000 2.074 83 K HA -0.234 4.086 4.320 0.000 0.000 0.209 83 K C 1.863 178.472 176.600 0.015 0.000 1.048 83 K CA 1.582 57.855 56.287 -0.023 0.000 0.926 83 K CB -0.828 31.658 32.500 -0.024 0.000 0.713 83 K HN 0.581 nan 8.250 nan 0.000 0.444 84 A N 0.484 123.335 122.820 0.051 0.000 1.883 84 A HA -0.188 4.132 4.320 0.000 0.000 0.217 84 A C 2.155 179.793 177.584 0.090 0.000 1.186 84 A CA 1.563 53.636 52.037 0.060 0.000 0.624 84 A CB -0.837 18.206 19.000 0.072 0.000 0.822 84 A HN 0.448 nan 8.150 nan 0.000 0.444 85 F N 0.670 120.647 119.950 0.044 0.000 2.146 85 F HA -0.160 4.367 4.527 0.000 0.000 0.298 85 F C 2.557 178.466 175.800 0.182 0.000 1.096 85 F CA 2.056 60.121 58.000 0.109 0.000 1.275 85 F CB -0.353 38.736 39.000 0.148 0.000 1.008 85 F HN 0.318 nan 8.300 nan 0.000 0.480 86 Q N -0.201 119.698 119.800 0.165 0.000 2.135 86 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 86 Q C 1.560 177.645 176.000 0.142 0.000 0.981 86 Q CA 1.602 57.443 55.803 0.063 0.000 0.856 86 Q CB -0.383 28.112 28.738 -0.406 0.000 0.902 86 Q HN 0.415 nan 8.270 nan 0.000 0.425 87 D N 0.616 121.022 120.400 0.010 0.000 2.350 87 D HA -0.095 4.545 4.640 0.000 0.000 0.216 87 D C 1.194 177.451 176.300 -0.072 0.000 0.968 87 D CA 0.933 54.927 54.000 -0.010 0.000 0.894 87 D CB 0.052 40.837 40.800 -0.024 0.000 0.909 87 D HN 0.250 nan 8.370 nan 0.000 0.520 88 K N -0.270 120.038 120.400 -0.154 0.000 2.366 88 K HA 0.084 4.404 4.320 0.000 0.000 0.198 88 K C 0.710 177.124 176.600 -0.311 0.000 1.044 88 K CA 0.405 56.533 56.287 -0.265 0.000 0.973 88 K CB 0.481 32.723 32.500 -0.429 0.000 0.767 88 K HN 0.122 nan 8.250 nan 0.000 0.475 89 L N 0.289 121.379 121.223 -0.221 0.000 2.333 89 L HA 0.351 4.691 4.340 0.000 0.000 0.269 89 L C -0.360 176.330 176.870 -0.301 0.000 1.010 89 L CA -1.460 53.163 54.840 -0.362 0.000 0.818 89 L CB 0.632 42.380 42.059 -0.518 0.000 1.306 89 L HN -0.106 nan 8.230 nan 0.000 0.430 90 Y N 1.474 121.608 120.300 -0.276 0.000 2.717 90 Y HA 0.008 4.558 4.550 -0.000 0.000 0.330 90 Y C -1.415 174.330 175.900 -0.259 0.000 1.217 90 Y CA -1.076 56.853 58.100 -0.284 0.000 1.506 90 Y CB -0.081 38.042 38.460 -0.561 0.000 1.268 90 Y HN 0.433 nan 8.280 nan 0.000 0.561 91 P HA -0.244 nan 4.420 nan 0.000 0.216 91 P C 1.349 178.762 177.300 0.189 0.000 1.150 91 P CA 1.705 64.951 63.100 0.243 0.000 0.843 91 P CB -0.132 31.704 31.700 0.227 0.000 0.787 92 F N -0.573 119.465 119.950 0.146 0.000 2.365 92 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 92 F C 1.854 177.669 175.800 0.026 0.000 1.090 92 F CA 1.447 59.491 58.000 0.074 0.000 1.408 92 F CB -2.257 36.761 39.000 0.030 0.000 1.060 92 F HN -0.101 nan 8.300 nan 0.000 0.534 93 T N -3.306 110.919 114.554 -0.550 0.000 2.896 93 T HA -0.165 4.185 4.350 0.000 0.000 0.263 93 T C 1.631 176.176 174.700 -0.259 0.000 1.050 93 T CA 1.011 62.843 62.100 -0.447 0.000 1.140 93 T CB -1.201 67.297 68.868 -0.618 0.000 0.877 93 T HN 0.550 nan 8.240 nan 0.000 0.457 94 W N 2.068 123.291 121.300 -0.127 0.000 2.363 94 W HA 0.018 4.678 4.660 0.000 0.000 0.296 94 W C 2.113 178.609 176.519 -0.038 0.000 1.212 94 W CA 0.398 57.700 57.345 -0.071 0.000 1.260 94 W CB -0.158 29.273 29.460 -0.048 0.000 1.131 94 W HN 0.222 nan 8.180 nan 0.000 0.530 95 D N 0.036 120.565 120.400 0.215 0.000 2.149 95 D HA -0.169 4.471 4.640 0.000 0.000 0.198 95 D C 2.177 178.538 176.300 0.102 0.000 0.990 95 D CA 1.725 55.820 54.000 0.158 0.000 0.839 95 D CB -0.798 40.096 40.800 0.156 0.000 0.948 95 D HN 0.132 nan 8.370 nan 0.000 0.460 96 A N 0.465 123.286 122.820 0.003 0.000 2.015 96 A HA -0.082 4.238 4.320 0.000 0.000 0.219 96 A C 1.914 179.476 177.584 -0.037 0.000 1.163 96 A CA 1.303 53.242 52.037 -0.165 0.000 0.646 96 A CB -0.212 18.468 19.000 -0.533 0.000 0.806 96 A HN 0.233 nan 8.150 nan 0.000 0.448 97 V N -3.091 116.840 119.914 0.028 0.000 3.099 97 V HA 0.412 4.532 4.120 0.000 0.000 0.356 97 V C 0.292 176.485 176.094 0.164 0.000 1.364 97 V CA -0.482 61.864 62.300 0.077 0.000 1.229 97 V CB -0.805 31.017 31.823 -0.000 0.000 1.227 97 V HN 0.378 nan 8.190 nan 0.000 0.493 98 R N 0.820 121.430 120.500 0.183 0.000 2.393 98 R HA 0.538 4.878 4.340 0.000 0.000 0.310 98 R C -1.890 174.563 176.300 0.254 0.000 0.968 98 R CA -0.720 55.490 56.100 0.184 0.000 0.867 98 R CB 1.571 31.954 30.300 0.139 0.000 1.124 98 R HN 0.494 nan 8.270 nan 0.000 0.450 99 Y N 3.917 124.273 120.300 0.093 0.000 2.386 99 Y HA 0.187 4.737 4.550 -0.000 0.000 0.334 99 Y C -0.361 175.580 175.900 0.067 0.000 1.002 99 Y CA -0.828 57.327 58.100 0.091 0.000 1.068 99 Y CB 1.302 39.823 38.460 0.103 0.000 1.203 99 Y HN 0.933 nan 8.280 nan 0.000 0.443 100 N N 4.233 122.638 118.700 -0.491 0.000 2.727 100 N HA -0.255 4.485 4.740 0.000 0.000 0.249 100 N C 0.847 176.289 175.510 -0.113 0.000 1.048 100 N CA 0.819 53.665 53.050 -0.340 0.000 0.714 100 N CB -0.849 37.418 38.487 -0.366 0.000 0.959 100 N HN 1.263 nan 8.380 nan 0.000 0.544 101 G N -1.374 107.391 108.800 -0.059 0.000 2.179 101 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 101 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 101 G C -0.087 174.817 174.900 0.005 0.000 0.977 101 G CA 0.836 45.925 45.100 -0.018 0.000 0.641 101 G HN 0.325 nan 8.290 nan 0.000 0.533 102 K N -0.065 120.356 120.400 0.035 0.000 2.318 102 K HA 0.629 4.949 4.320 0.000 0.000 0.249 102 K C 0.318 176.965 176.600 0.078 0.000 0.942 102 K CA -0.915 55.398 56.287 0.043 0.000 0.808 102 K CB 1.799 34.329 32.500 0.050 0.000 1.189 102 K HN 0.179 nan 8.250 nan 0.000 0.428 103 L N 3.820 125.065 121.223 0.037 0.000 2.360 103 L HA 0.278 4.618 4.340 0.000 0.000 0.276 103 L C 1.416 178.327 176.870 0.069 0.000 1.121 103 L CA -0.062 54.813 54.840 0.059 0.000 0.845 103 L CB 0.029 42.074 42.059 -0.023 0.000 1.143 103 L HN 0.651 nan 8.230 nan 0.000 0.452 104 I N -0.123 120.520 120.570 0.121 0.000 4.082 104 I HA 0.618 4.788 4.170 0.000 0.000 0.337 104 I C 0.445 176.656 176.117 0.157 0.000 1.352 104 I CA -0.164 61.225 61.300 0.150 0.000 1.097 104 I CB 0.482 38.617 38.000 0.224 0.000 1.048 104 I HN 0.537 nan 8.210 nan 0.000 0.393 105 A N 0.147 123.001 122.820 0.056 0.000 2.566 105 A HA 0.679 4.999 4.320 0.000 0.000 0.290 105 A C -2.128 175.395 177.584 -0.102 0.000 1.071 105 A CA -0.459 51.578 52.037 0.000 0.000 0.658 105 A CB 0.593 19.526 19.000 -0.112 0.000 1.285 105 A HN 0.157 nan 8.150 nan 0.000 0.427 106 Y N 0.534 120.814 120.300 -0.033 0.000 2.335 106 Y HA 0.488 5.038 4.550 0.000 0.000 0.339 106 Y C -2.264 173.477 175.900 -0.264 0.000 0.987 106 Y CA -1.828 56.224 58.100 -0.079 0.000 1.140 106 Y CB 1.408 39.861 38.460 -0.011 0.000 1.173 106 Y HN 0.375 nan 8.280 nan 0.000 0.486 107 P HA 0.226 nan 4.420 nan 0.000 0.275 107 P C -0.223 176.956 177.300 -0.201 0.000 1.227 107 P CA 0.220 63.124 63.100 -0.327 0.000 0.781 107 P CB 1.374 32.749 31.700 -0.541 0.000 0.906 108 I N 0.935 121.447 120.570 -0.098 0.000 3.873 108 I HA 0.380 4.550 4.170 0.000 0.000 0.284 108 I C 0.634 176.762 176.117 0.019 0.000 1.186 108 I CA 0.466 61.767 61.300 0.001 0.000 1.362 108 I CB 0.212 38.284 38.000 0.120 0.000 1.432 108 I HN 0.305 nan 8.210 nan 0.000 0.454 109 A N 0.096 122.931 122.820 0.025 0.000 2.606 109 A HA 0.741 5.061 4.320 0.000 0.000 0.293 109 A C -1.477 176.146 177.584 0.065 0.000 1.082 109 A CA -0.432 51.638 52.037 0.055 0.000 0.685 109 A CB 1.332 20.383 19.000 0.086 0.000 1.284 109 A HN -0.175 nan 8.150 nan 0.000 0.408 110 V N 1.928 121.898 119.914 0.094 0.000 2.370 110 V HA 0.392 4.512 4.120 0.000 0.000 0.279 110 V C -0.229 175.948 176.094 0.138 0.000 1.029 110 V CA -0.227 62.155 62.300 0.136 0.000 0.870 110 V CB 0.888 32.823 31.823 0.188 0.000 0.984 110 V HN 0.869 nan 8.190 nan 0.000 0.451 111 E N 3.695 124.000 120.200 0.175 0.000 2.183 111 E HA 0.831 5.181 4.350 0.000 0.000 0.271 111 E C -0.490 176.247 176.600 0.228 0.000 0.919 111 E CA -0.711 55.812 56.400 0.205 0.000 0.781 111 E CB 2.392 32.289 29.700 0.328 0.000 1.140 111 E HN 0.771 nan 8.360 nan 0.000 0.402 112 A N 3.051 125.964 122.820 0.154 0.000 2.520 112 A HA 0.493 4.813 4.320 0.000 0.000 0.298 112 A C -0.950 176.663 177.584 0.047 0.000 1.051 112 A CA -0.760 51.358 52.037 0.135 0.000 0.690 112 A CB 0.900 19.964 19.000 0.107 0.000 1.281 112 A HN 0.568 nan 8.150 nan 0.000 0.402 113 L N 1.474 122.699 121.223 0.004 0.000 2.417 113 L HA 0.499 4.839 4.340 0.000 0.000 0.268 113 L C 0.544 177.406 176.870 -0.013 0.000 1.158 113 L CA 0.065 54.875 54.840 -0.049 0.000 0.819 113 L CB 1.302 43.285 42.059 -0.127 0.000 1.112 113 L HN 0.745 nan 8.230 nan 0.000 0.458 114 S N 1.562 117.262 115.700 -0.000 0.000 2.667 114 S HA 0.561 5.031 4.470 0.000 0.000 0.292 114 S C -1.092 173.500 174.600 -0.013 0.000 1.126 114 S CA -0.638 57.574 58.200 0.021 0.000 0.881 114 S CB 2.072 65.328 63.200 0.094 0.000 1.132 114 S HN 0.371 nan 8.310 nan 0.000 0.492 115 L N 2.268 123.474 121.223 -0.028 0.000 2.290 115 L HA 0.582 4.922 4.340 0.000 0.000 0.284 115 L C -1.265 175.620 176.870 0.026 0.000 1.078 115 L CA 0.149 54.952 54.840 -0.062 0.000 0.815 115 L CB -0.112 41.877 42.059 -0.117 0.000 1.162 115 L HN 0.539 nan 8.230 nan 0.000 0.435 116 I N 6.399 126.943 120.570 -0.042 0.000 2.377 116 I HA 0.379 4.549 4.170 0.000 0.000 0.293 116 I C -0.966 175.164 176.117 0.021 0.000 0.987 116 I CA -0.768 60.499 61.300 -0.055 0.000 1.185 116 I CB 1.227 39.041 38.000 -0.310 0.000 1.341 116 I HN 0.643 nan 8.210 nan 0.000 0.455 117 Y N 4.162 124.515 120.300 0.089 0.000 2.576 117 Y HA 0.503 5.053 4.550 -0.000 0.000 0.346 117 Y C -0.752 175.399 175.900 0.419 0.000 1.018 117 Y CA -1.592 56.661 58.100 0.256 0.000 1.050 117 Y CB 0.853 39.369 38.460 0.094 0.000 1.280 117 Y HN 0.441 nan 8.280 nan 0.000 0.474 118 N N 2.782 121.718 118.700 0.393 0.000 2.415 118 N HA 0.123 4.863 4.740 0.000 0.000 0.246 118 N C 0.244 175.811 175.510 0.095 0.000 1.078 118 N CA -0.018 53.092 53.050 0.099 0.000 0.942 118 N CB 0.924 39.371 38.487 -0.066 0.000 1.140 118 N HN 0.896 nan 8.380 nan 0.000 0.501 119 K N 1.849 122.222 120.400 -0.044 0.000 2.211 119 K HA -0.130 4.190 4.320 0.000 0.000 0.204 119 K C 0.332 176.964 176.600 0.052 0.000 1.047 119 K CA 1.191 57.494 56.287 0.027 0.000 0.935 119 K CB 0.343 32.794 32.500 -0.080 0.000 0.728 119 K HN 0.543 nan 8.250 nan 0.000 0.452 120 D N 0.512 120.919 120.400 0.012 0.000 2.183 120 D HA -0.047 4.593 4.640 0.000 0.000 0.205 120 D C 1.854 178.164 176.300 0.017 0.000 0.962 120 D CA 0.840 54.843 54.000 0.005 0.000 0.849 120 D CB 0.101 40.890 40.800 -0.019 0.000 0.978 120 D HN 0.146 nan 8.370 nan 0.000 0.488 121 L N -0.403 120.835 121.223 0.025 0.000 2.307 121 L HA 0.087 4.427 4.340 0.000 0.000 0.211 121 L C 0.383 177.287 176.870 0.057 0.000 1.099 121 L CA 0.254 55.112 54.840 0.029 0.000 0.816 121 L CB 0.509 42.578 42.059 0.018 0.000 0.952 121 L HN -0.052 nan 8.230 nan 0.000 0.455 122 L N -0.326 120.960 121.223 0.105 0.000 2.514 122 L HA 0.365 4.705 4.340 0.000 0.000 0.257 122 L C -2.184 174.783 176.870 0.161 0.000 1.101 122 L CA -1.272 53.635 54.840 0.111 0.000 0.911 122 L CB 1.158 43.292 42.059 0.126 0.000 1.162 122 L HN -0.247 nan 8.230 nan 0.000 0.477 123 P HA -0.007 nan 4.420 nan 0.000 0.218 123 P C -0.433 176.895 177.300 0.048 0.000 1.149 123 P CA 1.138 64.301 63.100 0.105 0.000 0.817 123 P CB 0.240 31.968 31.700 0.047 0.000 0.785 124 N N -0.127 118.550 118.700 -0.039 0.000 2.626 124 N HA 0.264 5.004 4.740 0.000 0.000 0.242 124 N C -2.691 172.691 175.510 -0.214 0.000 1.005 124 N CA -1.407 51.568 53.050 -0.126 0.000 0.905 124 N CB 0.857 39.297 38.487 -0.080 0.000 1.128 124 N HN 0.035 nan 8.380 nan 0.000 0.512 125 P HA 0.198 nan 4.420 nan 0.000 0.269 125 P C -2.446 174.688 177.300 -0.276 0.000 1.215 125 P CA -0.725 62.106 63.100 -0.449 0.000 0.780 125 P CB -0.075 31.146 31.700 -0.798 0.000 0.898 126 P HA 0.108 nan 4.420 nan 0.000 0.271 126 P C 0.506 177.689 177.300 -0.194 0.000 1.216 126 P CA 0.026 63.021 63.100 -0.176 0.000 0.771 126 P CB 0.470 32.071 31.700 -0.165 0.000 0.864 127 K N 0.326 120.640 120.400 -0.143 0.000 2.400 127 K HA 0.090 4.410 4.320 0.000 0.000 0.194 127 K C 0.800 177.335 176.600 -0.107 0.000 1.033 127 K CA 0.777 56.988 56.287 -0.126 0.000 1.021 127 K CB -0.017 32.429 32.500 -0.091 0.000 0.808 127 K HN 0.621 nan 8.250 nan 0.000 0.505 128 T N -4.424 110.072 114.554 -0.096 0.000 2.906 128 T HA 0.299 4.649 4.350 0.000 0.000 0.295 128 T C 0.415 175.095 174.700 -0.033 0.000 1.061 128 T CA -0.889 61.190 62.100 -0.034 0.000 1.000 128 T CB 1.008 69.883 68.868 0.012 0.000 1.103 128 T HN 0.086 nan 8.240 nan 0.000 0.486 129 W N 0.779 122.046 121.300 -0.055 0.000 2.388 129 W HA 0.103 4.763 4.660 0.000 0.000 0.294 129 W C 2.133 178.675 176.519 0.037 0.000 1.212 129 W CA 0.876 58.177 57.345 -0.074 0.000 1.271 129 W CB -0.212 29.049 29.460 -0.331 0.000 1.126 129 W HN 0.835 nan 8.180 nan 0.000 0.535 130 E N 0.251 120.586 120.200 0.226 0.000 2.209 130 E HA -0.239 4.111 4.350 0.000 0.000 0.196 130 E C 1.745 178.498 176.600 0.255 0.000 0.993 130 E CA 1.715 58.295 56.400 0.300 0.000 0.819 130 E CB -0.400 29.401 29.700 0.167 0.000 0.745 130 E HN 0.520 nan 8.360 nan 0.000 0.477 131 E N 0.142 120.429 120.200 0.145 0.000 2.479 131 E HA 0.010 4.360 4.350 0.000 0.000 0.193 131 E C 1.600 178.234 176.600 0.055 0.000 1.049 131 E CA 0.094 56.541 56.400 0.077 0.000 0.870 131 E CB -0.031 29.681 29.700 0.020 0.000 0.944 131 E HN 0.289 nan 8.360 nan 0.000 0.492 132 I N 1.509 122.143 120.570 0.107 0.000 2.315 132 I HA -0.108 4.062 4.170 0.000 0.000 0.248 132 I C -0.568 175.509 176.117 -0.066 0.000 1.117 132 I CA 0.612 61.941 61.300 0.048 0.000 1.404 132 I CB -1.088 36.989 38.000 0.127 0.000 1.071 132 I HN 0.081 nan 8.210 nan 0.000 0.419 133 P HA -0.167 nan 4.420 nan 0.000 0.215 133 P C 1.528 178.627 177.300 -0.335 0.000 1.153 133 P CA 1.766 64.573 63.100 -0.488 0.000 0.853 133 P CB 0.024 31.619 31.700 -0.176 0.000 0.788 134 A N -0.888 121.874 122.820 -0.097 0.000 1.930 134 A HA -0.143 4.177 4.320 0.000 0.000 0.217 134 A C 2.108 179.669 177.584 -0.038 0.000 1.175 134 A CA 1.225 53.242 52.037 -0.033 0.000 0.627 134 A CB -1.601 17.402 19.000 0.006 0.000 0.815 134 A HN 0.151 nan 8.150 nan 0.000 0.443 135 L N 0.187 121.381 121.223 -0.048 0.000 2.093 135 L HA -0.124 4.216 4.340 0.000 0.000 0.208 135 L C 1.867 178.720 176.870 -0.027 0.000 1.085 135 L CA 2.655 57.477 54.840 -0.030 0.000 0.755 135 L CB -0.542 41.500 42.059 -0.029 0.000 0.904 135 L HN 0.474 nan 8.230 nan 0.000 0.435 136 D N -0.625 119.733 120.400 -0.070 0.000 2.117 136 D HA -0.257 4.383 4.640 0.000 0.000 0.198 136 D C 2.259 178.581 176.300 0.037 0.000 0.982 136 D CA 1.391 55.379 54.000 -0.021 0.000 0.828 136 D CB -0.074 40.685 40.800 -0.069 0.000 0.967 136 D HN 0.305 nan 8.370 nan 0.000 0.464 137 K N 0.286 120.706 120.400 0.034 0.000 2.103 137 K HA -0.224 4.096 4.320 0.000 0.000 0.207 137 K C 2.061 178.690 176.600 0.048 0.000 1.048 137 K CA 1.425 57.762 56.287 0.082 0.000 0.930 137 K CB -0.087 32.469 32.500 0.093 0.000 0.716 137 K HN 0.212 nan 8.250 nan 0.000 0.444 138 E N 0.282 120.498 120.200 0.027 0.000 2.107 138 E HA -0.142 4.208 4.350 0.000 0.000 0.191 138 E C 1.925 178.539 176.600 0.023 0.000 0.982 138 E CA 0.749 57.162 56.400 0.021 0.000 0.809 138 E CB 0.073 29.780 29.700 0.011 0.000 0.756 138 E HN 0.325 nan 8.360 nan 0.000 0.459 139 L N 0.455 121.693 121.223 0.026 0.000 2.240 139 L HA -0.050 4.290 4.340 0.000 0.000 0.211 139 L C 2.349 179.239 176.870 0.033 0.000 1.106 139 L CA 0.438 55.295 54.840 0.028 0.000 0.793 139 L CB -0.094 41.984 42.059 0.032 0.000 0.927 139 L HN -0.048 nan 8.230 nan 0.000 0.446 140 K N 0.459 120.885 120.400 0.043 0.000 2.280 140 K HA -0.046 4.274 4.320 0.000 0.000 0.202 140 K C 2.025 178.644 176.600 0.032 0.000 1.047 140 K CA 1.190 57.504 56.287 0.044 0.000 0.942 140 K CB -0.246 32.291 32.500 0.062 0.000 0.739 140 K HN 0.258 nan 8.250 nan 0.000 0.457 141 A N 1.182 124.019 122.820 0.028 0.000 2.119 141 A HA -0.097 4.223 4.320 0.000 0.000 0.217 141 A C 1.571 179.164 177.584 0.016 0.000 1.153 141 A CA 1.111 53.161 52.037 0.021 0.000 0.692 141 A CB -0.066 18.946 19.000 0.019 0.000 0.799 141 A HN 0.220 nan 8.150 nan 0.000 0.458 142 K N -1.293 119.117 120.400 0.016 0.000 2.373 142 K HA 0.303 4.623 4.320 0.000 0.000 0.202 142 K C 0.730 177.336 176.600 0.010 0.000 1.025 142 K CA 0.361 56.654 56.287 0.011 0.000 1.115 142 K CB 0.313 32.819 32.500 0.009 0.000 0.858 142 K HN 0.523 nan 8.250 nan 0.000 0.525 143 G N 2.283 111.091 108.800 0.014 0.000 2.182 143 G HA2 -0.232 3.728 3.960 0.000 0.000 0.248 143 G HA3 -0.232 3.728 3.960 0.000 0.000 0.248 143 G C -0.236 174.673 174.900 0.014 0.000 1.042 143 G CA 0.267 45.375 45.100 0.013 0.000 0.775 143 G HN 0.101 nan 8.290 nan 0.000 0.501 144 K N -0.585 119.828 120.400 0.021 0.000 2.372 144 K HA 0.845 5.165 4.320 0.000 0.000 0.251 144 K C 0.157 176.781 176.600 0.041 0.000 1.055 144 K CA -0.054 56.247 56.287 0.024 0.000 0.879 144 K CB 1.706 34.217 32.500 0.018 0.000 1.384 144 K HN 0.709 nan 8.250 nan 0.000 0.465 145 S N -1.645 114.087 115.700 0.052 0.000 2.599 145 S HA 0.650 5.120 4.470 0.000 0.000 0.294 145 S C 0.536 175.184 174.600 0.080 0.000 1.094 145 S CA -0.318 57.925 58.200 0.072 0.000 0.931 145 S CB 1.864 65.112 63.200 0.081 0.000 1.093 145 S HN 0.573 nan 8.310 nan 0.000 0.488 146 A N 0.418 123.287 122.820 0.082 0.000 1.878 146 A HA 0.504 4.824 4.320 0.000 0.000 0.213 146 A C 0.486 178.135 177.584 0.109 0.000 1.192 146 A CA 0.911 52.993 52.037 0.074 0.000 0.619 146 A CB -0.552 18.471 19.000 0.037 0.000 0.837 146 A HN 1.049 nan 8.150 nan 0.000 0.446 147 L N -1.297 120.009 121.223 0.139 0.000 2.472 147 L HA 0.724 5.064 4.340 0.000 0.000 0.260 147 L C -1.366 175.641 176.870 0.227 0.000 0.963 147 L CA -0.220 54.735 54.840 0.190 0.000 0.829 147 L CB 1.885 44.064 42.059 0.200 0.000 1.348 147 L HN 0.298 nan 8.230 nan 0.000 0.408 148 M N 5.827 125.578 119.600 0.252 0.000 2.277 148 M HA 0.587 5.067 4.480 0.000 0.000 0.282 148 M C -1.635 174.821 176.300 0.258 0.000 1.074 148 M CA -0.366 55.045 55.300 0.184 0.000 0.954 148 M CB 2.014 34.680 32.600 0.110 0.000 1.672 148 M HN 0.583 nan 8.290 nan 0.000 0.471 149 F N 0.235 120.192 119.950 0.011 0.000 2.686 149 F HA 0.570 5.097 4.527 -0.000 0.000 0.311 149 F C -0.703 175.037 175.800 -0.099 0.000 1.128 149 F CA -1.310 56.657 58.000 -0.056 0.000 0.946 149 F CB 0.833 39.865 39.000 0.053 0.000 1.336 149 F HN 0.468 nan 8.300 nan 0.000 0.457 150 N N 1.903 120.481 118.700 -0.204 0.000 2.417 150 N HA 0.076 4.816 4.740 0.000 0.000 0.272 150 N C 0.064 175.497 175.510 -0.128 0.000 1.304 150 N CA 0.223 53.099 53.050 -0.290 0.000 0.906 150 N CB 0.304 38.415 38.487 -0.627 0.000 1.135 150 N HN 0.805 nan 8.380 nan 0.000 0.483 151 L N 2.376 123.499 121.223 -0.167 0.000 2.653 151 L HA 0.125 4.465 4.340 0.000 0.000 0.231 151 L C 1.281 178.167 176.870 0.028 0.000 1.153 151 L CA -0.011 54.771 54.840 -0.098 0.000 0.933 151 L CB 0.095 42.037 42.059 -0.195 0.000 1.175 151 L HN 0.447 nan 8.230 nan 0.000 0.473 152 Q N -0.410 119.426 119.800 0.059 0.000 2.391 152 Q HA 0.172 4.512 4.340 0.000 0.000 0.211 152 Q C 0.255 176.351 176.000 0.160 0.000 0.908 152 Q CA 0.555 56.410 55.803 0.087 0.000 0.920 152 Q CB 0.756 29.533 28.738 0.066 0.000 1.056 152 Q HN 0.267 nan 8.270 nan 0.000 0.523 153 E N 2.037 122.399 120.200 0.271 0.000 2.133 153 E HA 0.168 4.518 4.350 0.000 0.000 0.274 153 E C -1.778 175.093 176.600 0.453 0.000 0.930 153 E CA -2.087 54.527 56.400 0.357 0.000 0.770 153 E CB 1.861 31.870 29.700 0.514 0.000 1.104 153 E HN -0.074 nan 8.360 nan 0.000 0.403 154 P HA -0.201 nan 4.420 nan 0.000 0.223 154 P C 1.295 178.943 177.300 0.579 0.000 1.144 154 P CA 0.892 64.266 63.100 0.456 0.000 0.783 154 P CB 0.163 32.141 31.700 0.463 0.000 0.771 155 Y N 0.716 121.122 120.300 0.177 0.000 2.193 155 Y HA -0.207 4.343 4.550 0.000 0.000 0.285 155 Y C 1.919 177.903 175.900 0.140 0.000 1.166 155 Y CA 1.664 59.783 58.100 0.031 0.000 1.181 155 Y CB -1.072 37.161 38.460 -0.378 0.000 0.976 155 Y HN -0.210 nan 8.280 nan 0.000 0.520 156 F N -0.867 119.324 119.950 0.402 0.000 2.512 156 F HA -0.038 4.489 4.527 0.000 0.000 0.296 156 F C 2.438 178.467 175.800 0.382 0.000 1.110 156 F CA 1.336 59.545 58.000 0.349 0.000 1.446 156 F CB -0.724 38.603 39.000 0.545 0.000 1.092 156 F HN 0.097 nan 8.300 nan 0.000 0.554 157 T N -3.907 111.000 114.554 0.587 0.000 3.037 157 T HA -0.130 4.220 4.350 0.000 0.000 0.251 157 T C 1.831 176.693 174.700 0.270 0.000 1.079 157 T CA -0.104 62.264 62.100 0.446 0.000 1.067 157 T CB -0.680 68.416 68.868 0.380 0.000 0.948 157 T HN 0.503 nan 8.240 nan 0.000 0.496 158 W N 2.921 124.335 121.300 0.190 0.000 2.342 158 W HA -0.055 4.605 4.660 0.000 0.000 0.297 158 W C -1.749 174.774 176.519 0.008 0.000 1.213 158 W CA 0.951 58.379 57.345 0.140 0.000 1.251 158 W CB -1.021 28.630 29.460 0.319 0.000 1.136 158 W HN 0.302 nan 8.180 nan 0.000 0.526 159 P HA -0.214 nan 4.420 nan 0.000 0.216 159 P C 2.085 179.244 177.300 -0.235 0.000 1.150 159 P CA 1.677 64.711 63.100 -0.110 0.000 0.837 159 P CB -0.449 31.258 31.700 0.012 0.000 0.786 160 L N -1.234 119.808 121.223 -0.301 0.000 2.095 160 L HA -0.073 4.267 4.340 0.000 0.000 0.204 160 L C 2.184 178.719 176.870 -0.558 0.000 1.080 160 L CA 1.313 55.803 54.840 -0.583 0.000 0.759 160 L CB -0.475 41.037 42.059 -0.911 0.000 0.914 160 L HN -0.085 nan 8.230 nan 0.000 0.439 161 I N 0.023 120.284 120.570 -0.516 0.000 2.226 161 I HA -0.267 3.903 4.170 0.000 0.000 0.245 161 I C 2.564 178.285 176.117 -0.660 0.000 1.100 161 I CA 1.290 62.260 61.300 -0.550 0.000 1.374 161 I CB -0.355 37.309 38.000 -0.560 0.000 1.057 161 I HN 0.252 nan 8.210 nan 0.000 0.413 162 A N 0.375 122.655 122.820 -0.900 0.000 2.123 162 A HA 0.142 4.462 4.320 0.000 0.000 0.214 162 A C 2.499 179.896 177.584 -0.311 0.000 1.152 162 A CA 1.013 52.634 52.037 -0.692 0.000 0.728 162 A CB -0.478 18.012 19.000 -0.849 0.000 0.814 162 A HN 0.382 nan 8.150 nan 0.000 0.464 163 A N 0.430 123.102 122.820 -0.247 0.000 1.903 163 A HA -0.270 4.051 4.320 0.000 0.000 0.219 163 A C 1.730 179.311 177.584 -0.005 0.000 1.191 163 A CA 2.239 54.232 52.037 -0.073 0.000 0.638 163 A CB -0.544 18.458 19.000 0.003 0.000 0.823 163 A HN 0.460 nan 8.150 nan 0.000 0.451 164 D N -2.902 117.520 120.400 0.037 0.000 2.342 164 D HA 0.355 4.995 4.640 0.000 0.000 0.221 164 D C 0.910 177.207 176.300 -0.005 0.000 1.101 164 D CA 1.086 55.099 54.000 0.022 0.000 0.837 164 D CB 0.047 40.890 40.800 0.072 0.000 0.938 164 D HN 0.518 nan 8.370 nan 0.000 0.508 165 G N -1.246 107.541 108.800 -0.021 0.000 2.485 165 G HA2 -0.078 3.882 3.960 0.000 0.000 0.181 165 G HA3 -0.078 3.882 3.960 0.000 0.000 0.181 165 G C 0.758 175.690 174.900 0.053 0.000 0.999 165 G CA -0.228 44.889 45.100 0.030 0.000 0.721 165 G HN 0.513 nan 8.290 nan 0.000 0.486 166 G N 0.331 109.074 108.800 -0.096 0.000 2.554 166 G HA2 0.619 4.579 3.960 0.000 0.000 0.238 166 G HA3 0.619 4.579 3.960 0.000 0.000 0.238 166 G C -0.263 174.631 174.900 -0.011 0.000 1.259 166 G CA 0.760 45.754 45.100 -0.176 0.000 0.843 166 G HN 1.619 nan 8.290 nan 0.000 0.582 167 Y N -1.928 118.434 120.300 0.102 0.000 2.624 167 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 167 Y C 0.478 176.567 175.900 0.316 0.000 1.155 167 Y CA -0.805 57.455 58.100 0.268 0.000 1.046 167 Y CB 0.622 39.167 38.460 0.141 0.000 1.316 167 Y HN 0.724 nan 8.280 nan 0.000 0.457 168 A N 1.534 124.543 122.820 0.315 0.000 1.991 168 A HA 0.393 4.713 4.320 0.000 0.000 0.217 168 A C -0.433 176.916 177.584 -0.391 0.000 1.487 168 A CA 0.743 52.494 52.037 -0.476 0.000 0.603 168 A CB -0.498 17.809 19.000 -1.155 0.000 1.112 168 A HN 0.557 nan 8.150 nan 0.000 0.492 169 F N -0.132 119.873 119.950 0.093 0.000 2.458 169 F HA 0.514 5.042 4.527 0.000 0.000 0.336 169 F C 0.202 176.240 175.800 0.397 0.000 1.114 169 F CA -1.051 57.086 58.000 0.228 0.000 0.987 169 F CB 1.449 40.487 39.000 0.065 0.000 1.130 169 F HN 0.111 nan 8.300 nan 0.000 0.458 170 K N 3.167 123.867 120.400 0.499 0.000 2.447 170 K HA 0.000 4.320 4.320 0.000 0.000 0.281 170 K C -1.465 175.294 176.600 0.265 0.000 1.031 170 K CA 0.181 56.576 56.287 0.180 0.000 1.019 170 K CB -0.187 32.368 32.500 0.093 0.000 0.918 170 K HN 0.570 nan 8.250 nan 0.000 0.476 171 Y N 4.679 125.009 120.300 0.051 0.000 2.367 171 Y HA 0.260 4.810 4.550 0.000 0.000 0.342 171 Y C -0.668 175.154 175.900 -0.129 0.000 0.979 171 Y CA -0.149 57.871 58.100 -0.132 0.000 1.161 171 Y CB 0.519 38.841 38.460 -0.230 0.000 1.155 171 Y HN 0.784 nan 8.280 nan 0.000 0.503 172 E N 3.963 123.820 120.200 -0.572 0.000 2.392 172 E HA 0.302 4.652 4.350 0.000 0.000 0.279 172 E C -0.791 175.524 176.600 -0.475 0.000 0.964 172 E CA -1.085 55.064 56.400 -0.419 0.000 0.777 172 E CB 1.077 30.671 29.700 -0.176 0.000 1.249 172 E HN 0.617 nan 8.360 nan 0.000 0.449 173 N N 0.719 119.218 118.700 -0.334 0.000 2.714 173 N HA -0.249 4.491 4.740 0.000 0.000 0.250 173 N C 0.832 176.151 175.510 -0.318 0.000 1.117 173 N CA 1.587 54.487 53.050 -0.249 0.000 0.719 173 N CB -1.340 37.043 38.487 -0.172 0.000 1.081 173 N HN 1.260 nan 8.380 nan 0.000 0.557 174 G N -0.607 107.877 108.800 -0.525 0.000 2.184 174 G HA2 -0.376 3.584 3.960 0.000 0.000 0.264 174 G HA3 -0.376 3.584 3.960 0.000 0.000 0.264 174 G C 0.031 174.636 174.900 -0.491 0.000 0.975 174 G CA 1.404 46.243 45.100 -0.435 0.000 0.642 174 G HN 0.891 nan 8.290 nan 0.000 0.536 175 K N -1.439 118.572 120.400 -0.648 0.000 2.466 175 K HA 0.730 5.050 4.320 0.000 0.000 0.260 175 K C -1.110 175.220 176.600 -0.450 0.000 1.011 175 K CA -1.393 54.656 56.287 -0.396 0.000 0.871 175 K CB 1.356 33.748 32.500 -0.179 0.000 1.404 175 K HN -0.006 nan 8.250 nan 0.000 0.450 176 Y N 0.847 121.132 120.300 -0.026 0.000 2.367 176 Y HA 0.145 4.695 4.550 -0.000 0.000 0.342 176 Y C -0.370 175.530 175.900 0.000 0.000 0.979 176 Y CA -0.358 57.769 58.100 0.044 0.000 1.161 176 Y CB 1.190 39.688 38.460 0.063 0.000 1.155 176 Y HN 0.681 nan 8.280 nan 0.000 0.503 177 D N 4.463 124.978 120.400 0.191 0.000 2.344 177 D HA 0.046 4.686 4.640 0.000 0.000 0.253 177 D C 1.009 177.453 176.300 0.240 0.000 1.255 177 D CA -0.109 53.982 54.000 0.151 0.000 0.894 177 D CB 0.456 41.332 40.800 0.125 0.000 1.067 177 D HN 0.613 nan 8.370 nan 0.000 0.492 178 I N 0.430 121.079 120.570 0.132 0.000 3.334 178 I HA 0.001 4.171 4.170 0.000 0.000 0.282 178 I C 1.061 177.337 176.117 0.265 0.000 1.313 178 I CA 0.362 61.755 61.300 0.156 0.000 1.396 178 I CB -0.016 37.960 38.000 -0.040 0.000 1.054 178 I HN 0.120 nan 8.210 nan 0.000 0.495 179 K N 0.429 120.954 120.400 0.208 0.000 2.352 179 K HA 0.092 4.412 4.320 0.000 0.000 0.194 179 K C 0.197 176.909 176.600 0.187 0.000 1.038 179 K CA 0.101 56.490 56.287 0.170 0.000 1.023 179 K CB 0.294 32.861 32.500 0.113 0.000 0.840 179 K HN 0.194 nan 8.250 nan 0.000 0.519 180 D N 1.808 122.352 120.400 0.240 0.000 2.485 180 D HA 0.125 4.765 4.640 0.000 0.000 0.229 180 D C -1.107 175.377 176.300 0.307 0.000 1.101 180 D CA -0.212 53.939 54.000 0.252 0.000 0.906 180 D CB 0.709 41.661 40.800 0.253 0.000 1.019 180 D HN -0.257 nan 8.370 nan 0.000 0.516 181 V N 2.010 122.012 119.914 0.147 0.000 2.532 181 V HA 0.610 4.730 4.120 0.000 0.000 0.295 181 V C 1.338 177.284 176.094 -0.247 0.000 1.041 181 V CA -0.662 61.611 62.300 -0.046 0.000 0.926 181 V CB 1.953 33.715 31.823 -0.102 0.000 0.992 181 V HN 0.593 nan 8.190 nan 0.000 0.457 182 G N 1.598 109.976 108.800 -0.705 0.000 4.222 182 G HA2 0.287 4.247 3.960 0.000 0.000 0.301 182 G HA3 0.287 4.247 3.960 0.000 0.000 0.301 182 G C 0.672 175.255 174.900 -0.528 0.000 1.171 182 G CA 0.485 44.842 45.100 -1.238 0.000 0.937 182 G HN 0.800 nan 8.290 nan 0.000 0.557 183 V N -3.052 116.746 119.914 -0.194 0.000 3.623 183 V HA 0.237 4.357 4.120 0.000 0.000 0.271 183 V C 0.833 176.899 176.094 -0.047 0.000 1.248 183 V CA 1.226 63.521 62.300 -0.007 0.000 1.156 183 V CB 0.484 32.372 31.823 0.108 0.000 0.870 183 V HN 0.157 nan 8.190 nan 0.000 0.453 184 D N 1.163 121.509 120.400 -0.089 0.000 2.599 184 D HA 0.157 4.797 4.640 0.000 0.000 0.249 184 D C 0.426 176.693 176.300 -0.055 0.000 1.313 184 D CA -0.237 53.730 54.000 -0.054 0.000 0.815 184 D CB 0.005 40.787 40.800 -0.031 0.000 1.077 184 D HN 0.725 nan 8.370 nan 0.000 0.492 185 N N -0.436 118.214 118.700 -0.084 0.000 2.405 185 N HA 0.312 5.052 4.740 0.000 0.000 0.269 185 N C 1.346 176.841 175.510 -0.024 0.000 1.249 185 N CA -0.007 53.017 53.050 -0.044 0.000 0.974 185 N CB 0.315 38.780 38.487 -0.037 0.000 1.204 185 N HN -0.129 nan 8.380 nan 0.000 0.565 186 A N -0.445 122.374 122.820 -0.002 0.000 1.940 186 A HA -0.018 4.302 4.320 0.000 0.000 0.219 186 A C 2.018 179.606 177.584 0.007 0.000 1.176 186 A CA 1.996 54.036 52.037 0.005 0.000 0.631 186 A CB -1.693 17.314 19.000 0.011 0.000 0.814 186 A HN 0.811 nan 8.150 nan 0.000 0.446 187 G N -0.548 108.253 108.800 0.000 0.000 2.421 187 G HA2 -0.004 3.956 3.960 0.000 0.000 0.216 187 G HA3 -0.004 3.956 3.960 0.000 0.000 0.216 187 G C 1.774 176.654 174.900 -0.033 0.000 1.171 187 G CA 1.489 46.588 45.100 -0.001 0.000 0.775 187 G HN 0.811 nan 8.290 nan 0.000 0.543 188 A N 0.822 123.593 122.820 -0.081 0.000 1.902 188 A HA -0.008 4.312 4.320 0.000 0.000 0.217 188 A C 2.312 179.852 177.584 -0.072 0.000 1.181 188 A CA 2.008 53.971 52.037 -0.123 0.000 0.623 188 A CB -0.366 18.562 19.000 -0.119 0.000 0.818 188 A HN 0.386 nan 8.150 nan 0.000 0.443 189 K N -0.283 120.098 120.400 -0.032 0.000 2.057 189 K HA -0.080 4.240 4.320 0.000 0.000 0.207 189 K C 2.321 178.933 176.600 0.021 0.000 1.049 189 K CA 1.172 57.454 56.287 -0.007 0.000 0.931 189 K CB -0.349 32.154 32.500 0.004 0.000 0.714 189 K HN 0.442 nan 8.250 nan 0.000 0.440 190 A N 1.231 124.088 122.820 0.062 0.000 1.902 190 A HA -0.102 4.218 4.320 0.000 0.000 0.217 190 A C 2.425 180.109 177.584 0.167 0.000 1.181 190 A CA 1.974 54.114 52.037 0.172 0.000 0.623 190 A CB -1.200 17.933 19.000 0.222 0.000 0.818 190 A HN 0.437 nan 8.150 nan 0.000 0.443 191 G N -0.365 108.429 108.800 -0.011 0.000 2.404 191 G HA2 -0.112 3.848 3.960 0.000 0.000 0.215 191 G HA3 -0.112 3.848 3.960 0.000 0.000 0.215 191 G C 1.473 176.194 174.900 -0.298 0.000 1.174 191 G CA 1.168 46.028 45.100 -0.401 0.000 0.780 191 G HN 0.477 nan 8.290 nan 0.000 0.537 192 L N 1.014 122.146 121.223 -0.151 0.000 2.093 192 L HA 0.060 4.400 4.340 0.000 0.000 0.208 192 L C 2.824 179.666 176.870 -0.048 0.000 1.085 192 L CA 2.297 57.082 54.840 -0.091 0.000 0.755 192 L CB -0.900 41.129 42.059 -0.050 0.000 0.904 192 L HN 0.169 nan 8.230 nan 0.000 0.435 193 T N -0.742 113.807 114.554 -0.010 0.000 2.788 193 T HA -0.208 4.142 4.350 0.000 0.000 0.268 193 T C 1.632 176.344 174.700 0.020 0.000 1.044 193 T CA 1.784 63.895 62.100 0.017 0.000 1.139 193 T CB -0.512 68.390 68.868 0.057 0.000 0.867 193 T HN 0.381 nan 8.240 nan 0.000 0.454 194 F N 1.262 121.149 119.950 -0.104 0.000 2.134 194 F HA -0.009 4.518 4.527 -0.000 0.000 0.299 194 F C 1.939 177.668 175.800 -0.118 0.000 1.097 194 F CA 0.698 58.633 58.000 -0.109 0.000 1.264 194 F CB -0.326 38.497 39.000 -0.294 0.000 1.001 194 F HN 0.024 nan 8.300 nan 0.000 0.479 195 L N -0.227 120.974 121.223 -0.037 0.000 2.017 195 L HA -0.159 4.181 4.340 0.000 0.000 0.208 195 L C 2.232 179.062 176.870 -0.067 0.000 1.073 195 L CA 1.598 56.414 54.840 -0.040 0.000 0.745 195 L CB -0.822 41.215 42.059 -0.037 0.000 0.894 195 L HN 0.031 nan 8.230 nan 0.000 0.432 196 V N -0.247 119.628 119.914 -0.065 0.000 2.407 196 V HA -0.282 3.838 4.120 0.000 0.000 0.248 196 V C 2.170 178.213 176.094 -0.085 0.000 1.055 196 V CA 1.880 64.144 62.300 -0.060 0.000 1.049 196 V CB -0.844 30.954 31.823 -0.042 0.000 0.662 196 V HN 0.460 nan 8.190 nan 0.000 0.455 197 D N 0.008 120.331 120.400 -0.129 0.000 2.178 197 D HA -0.089 4.551 4.640 0.000 0.000 0.202 197 D C 2.126 178.333 176.300 -0.154 0.000 0.974 197 D CA 0.979 54.888 54.000 -0.151 0.000 0.841 197 D CB -0.159 40.521 40.800 -0.199 0.000 0.953 197 D HN 0.347 nan 8.370 nan 0.000 0.478 198 L N 0.288 121.406 121.223 -0.176 0.000 2.083 198 L HA -0.120 4.220 4.340 0.000 0.000 0.209 198 L C 2.396 179.257 176.870 -0.015 0.000 1.083 198 L CA 0.695 55.517 54.840 -0.029 0.000 0.752 198 L CB -0.197 41.879 42.059 0.028 0.000 0.899 198 L HN 0.036 nan 8.230 nan 0.000 0.433 199 I N -0.489 120.053 120.570 -0.047 0.000 2.193 199 I HA -0.261 3.909 4.170 0.000 0.000 0.240 199 I C 2.507 178.575 176.117 -0.082 0.000 1.084 199 I CA 1.210 62.478 61.300 -0.052 0.000 1.365 199 I CB -0.309 37.661 38.000 -0.049 0.000 1.064 199 I HN 0.145 nan 8.210 nan 0.000 0.410 200 K N 1.013 121.362 120.400 -0.084 0.000 2.074 200 K HA -0.193 4.127 4.320 0.000 0.000 0.209 200 K C 1.309 177.834 176.600 -0.126 0.000 1.048 200 K CA 1.827 58.062 56.287 -0.087 0.000 0.926 200 K CB -0.414 32.043 32.500 -0.072 0.000 0.713 200 K HN 0.437 nan 8.250 nan 0.000 0.444 201 N N 0.817 119.409 118.700 -0.181 0.000 2.434 201 N HA 0.005 4.745 4.740 0.000 0.000 0.196 201 N C -0.765 174.439 175.510 -0.510 0.000 1.183 201 N CA -0.015 52.846 53.050 -0.314 0.000 0.849 201 N CB 0.196 38.494 38.487 -0.316 0.000 0.992 201 N HN 0.069 nan 8.380 nan 0.000 0.460 202 K N -0.751 119.473 120.400 -0.294 0.000 3.071 202 K HA -0.254 4.066 4.320 0.000 0.000 0.265 202 K C -0.456 176.035 176.600 -0.182 0.000 1.060 202 K CA 0.607 56.769 56.287 -0.207 0.000 0.767 202 K CB -1.820 30.585 32.500 -0.157 0.000 1.241 202 K HN 0.624 nan 8.250 nan 0.000 0.486 203 H N -1.100 117.968 119.070 -0.003 0.000 2.592 203 H HA 0.299 4.855 4.556 0.000 0.000 0.265 203 H C 0.665 176.012 175.328 0.031 0.000 0.955 203 H CA 0.147 56.207 56.048 0.020 0.000 1.175 203 H CB 0.421 30.200 29.762 0.028 0.000 1.433 203 H HN 0.096 nan 8.280 nan 0.000 0.537 204 M N -0.112 119.546 119.600 0.098 0.000 2.569 204 M HA 0.240 4.720 4.480 0.000 0.000 0.279 204 M C -1.422 174.873 176.300 -0.008 0.000 1.253 204 M CA -0.848 54.479 55.300 0.045 0.000 0.867 204 M CB 2.576 35.197 32.600 0.035 0.000 1.727 204 M HN -0.069 nan 8.290 nan 0.000 0.467 205 N N 0.029 118.711 118.700 -0.030 0.000 2.392 205 N HA 0.546 5.286 4.740 0.000 0.000 0.283 205 N C 0.322 175.795 175.510 -0.061 0.000 1.003 205 N CA -0.016 53.011 53.050 -0.039 0.000 0.892 205 N CB 1.932 40.403 38.487 -0.028 0.000 1.193 205 N HN 0.769 nan 8.380 nan 0.000 0.487 206 A N 1.637 124.426 122.820 -0.052 0.000 2.125 206 A HA -0.158 4.162 4.320 0.000 0.000 0.219 206 A C 1.335 178.889 177.584 -0.050 0.000 1.156 206 A CA 1.525 53.529 52.037 -0.055 0.000 0.671 206 A CB -0.287 18.689 19.000 -0.040 0.000 0.794 206 A HN 0.803 nan 8.150 nan 0.000 0.459 207 D N -1.116 119.260 120.400 -0.041 0.000 2.339 207 D HA -0.005 4.635 4.640 0.000 0.000 0.217 207 D C -0.045 176.234 176.300 -0.036 0.000 1.050 207 D CA 0.346 54.329 54.000 -0.030 0.000 0.856 207 D CB -0.831 39.959 40.800 -0.018 0.000 0.922 207 D HN 0.137 nan 8.370 nan 0.000 0.518 208 T N 2.396 116.914 114.554 -0.061 0.000 2.867 208 T HA 0.210 4.560 4.350 0.000 0.000 0.297 208 T C 0.009 174.662 174.700 -0.078 0.000 0.989 208 T CA 0.063 62.120 62.100 -0.073 0.000 1.159 208 T CB 0.890 69.691 68.868 -0.111 0.000 0.928 208 T HN 0.391 nan 8.240 nan 0.000 0.538 209 D N 1.528 121.901 120.400 -0.046 0.000 2.666 209 D HA 0.170 4.810 4.640 0.000 0.000 0.252 209 D C 1.033 177.317 176.300 -0.028 0.000 1.143 209 D CA -0.911 53.077 54.000 -0.020 0.000 1.096 209 D CB 0.014 40.833 40.800 0.031 0.000 1.260 209 D HN 0.334 nan 8.370 nan 0.000 0.633 210 Y N 0.528 120.771 120.300 -0.096 0.000 2.089 210 Y HA -0.200 4.350 4.550 0.000 0.000 0.282 210 Y C 2.643 178.529 175.900 -0.022 0.000 1.139 210 Y CA 3.306 61.347 58.100 -0.100 0.000 1.123 210 Y CB -0.415 38.013 38.460 -0.054 0.000 0.980 210 Y HN 0.433 nan 8.280 nan 0.000 0.493 211 S N -0.143 115.695 115.700 0.229 0.000 2.382 211 S HA -0.222 4.248 4.470 0.000 0.000 0.228 211 S C 2.017 176.642 174.600 0.042 0.000 1.027 211 S CA 1.641 59.934 58.200 0.156 0.000 0.991 211 S CB -1.117 62.173 63.200 0.149 0.000 0.823 211 S HN 0.534 nan 8.310 nan 0.000 0.469 212 I N 2.313 122.895 120.570 0.019 0.000 2.179 212 I HA -0.138 4.032 4.170 0.000 0.000 0.242 212 I C 3.087 179.197 176.117 -0.012 0.000 1.088 212 I CA 1.202 62.504 61.300 0.004 0.000 1.357 212 I CB -0.657 37.341 38.000 -0.002 0.000 1.051 212 I HN 0.430 nan 8.210 nan 0.000 0.409 213 A N 0.259 123.045 122.820 -0.057 0.000 1.898 213 A HA -0.256 4.064 4.320 0.000 0.000 0.216 213 A C 2.312 179.877 177.584 -0.031 0.000 1.181 213 A CA 1.874 53.882 52.037 -0.048 0.000 0.620 213 A CB -0.629 18.310 19.000 -0.102 0.000 0.819 213 A HN 0.508 nan 8.150 nan 0.000 0.442 214 E N -0.025 120.101 120.200 -0.124 0.000 2.051 214 E HA -0.123 4.227 4.350 0.000 0.000 0.192 214 E C 2.098 178.726 176.600 0.046 0.000 0.991 214 E CA 1.131 57.490 56.400 -0.068 0.000 0.799 214 E CB -0.282 29.343 29.700 -0.124 0.000 0.748 214 E HN 0.508 nan 8.360 nan 0.000 0.449 215 A N 1.173 124.014 122.820 0.035 0.000 1.902 215 A HA -0.072 4.248 4.320 0.000 0.000 0.217 215 A C 2.406 180.014 177.584 0.040 0.000 1.181 215 A CA 1.777 53.839 52.037 0.041 0.000 0.623 215 A CB -0.793 18.228 19.000 0.035 0.000 0.818 215 A HN 0.432 nan 8.150 nan 0.000 0.443 216 A N -1.295 121.554 122.820 0.048 0.000 1.902 216 A HA -0.035 4.285 4.320 0.000 0.000 0.217 216 A C 2.062 179.681 177.584 0.057 0.000 1.181 216 A CA 1.615 53.680 52.037 0.047 0.000 0.623 216 A CB -0.685 18.349 19.000 0.058 0.000 0.818 216 A HN 0.632 nan 8.150 nan 0.000 0.443 217 F N 1.260 121.197 119.950 -0.020 0.000 2.113 217 F HA -0.119 4.408 4.527 0.000 0.000 0.297 217 F C 1.942 177.725 175.800 -0.028 0.000 1.103 217 F CA 1.969 59.957 58.000 -0.019 0.000 1.248 217 F CB -0.430 38.552 39.000 -0.029 0.000 0.999 217 F HN 0.304 nan 8.300 nan 0.000 0.475 218 N N -0.204 118.520 118.700 0.041 0.000 2.453 218 N HA -0.119 4.621 4.740 0.000 0.000 0.183 218 N C 1.137 176.590 175.510 -0.095 0.000 1.041 218 N CA 0.548 53.575 53.050 -0.039 0.000 0.900 218 N CB -0.074 38.438 38.487 0.041 0.000 0.961 218 N HN 0.341 nan 8.380 nan 0.000 0.443 219 K N -0.013 120.336 120.400 -0.085 0.000 2.374 219 K HA 0.115 4.435 4.320 0.000 0.000 0.196 219 K C 0.790 177.324 176.600 -0.110 0.000 1.023 219 K CA 0.122 56.366 56.287 -0.072 0.000 1.103 219 K CB 0.765 33.244 32.500 -0.034 0.000 0.848 219 K HN 0.142 nan 8.250 nan 0.000 0.528 220 G N 2.215 110.897 108.800 -0.197 0.000 2.160 220 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 220 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 220 G C 0.325 175.149 174.900 -0.127 0.000 1.022 220 G CA 0.438 45.410 45.100 -0.215 0.000 0.741 220 G HN 0.466 nan 8.290 nan 0.000 0.508 221 E N -0.987 119.160 120.200 -0.087 0.000 2.340 221 E HA 0.154 4.504 4.350 0.000 0.000 0.194 221 E C 1.081 177.681 176.600 0.000 0.000 0.996 221 E CA 0.908 57.290 56.400 -0.030 0.000 0.869 221 E CB 0.543 30.238 29.700 -0.008 0.000 0.835 221 E HN 0.337 nan 8.360 nan 0.000 0.493 222 T N -1.190 113.371 114.554 0.011 0.000 2.893 222 T HA 0.483 4.833 4.350 0.000 0.000 0.291 222 T C 0.383 175.153 174.700 0.117 0.000 1.028 222 T CA -0.223 61.932 62.100 0.091 0.000 0.995 222 T CB 1.696 70.662 68.868 0.163 0.000 1.051 222 T HN -0.012 nan 8.240 nan 0.000 0.470 223 A N 4.262 127.169 122.820 0.143 0.000 2.014 223 A HA 0.382 4.702 4.320 0.000 0.000 0.218 223 A C 0.804 178.612 177.584 0.374 0.000 1.163 223 A CA 0.876 53.022 52.037 0.181 0.000 0.652 223 A CB -0.259 18.815 19.000 0.123 0.000 0.808 223 A HN 0.758 nan 8.150 nan 0.000 0.449 224 M N -2.548 117.266 119.600 0.356 0.000 2.618 224 M HA 0.506 4.986 4.480 0.000 0.000 0.281 224 M C -0.642 175.738 176.300 0.134 0.000 1.267 224 M CA -0.315 55.149 55.300 0.274 0.000 0.845 224 M CB 2.440 35.103 32.600 0.105 0.000 1.732 224 M HN 0.028 nan 8.290 nan 0.000 0.461 225 T N 0.642 115.108 114.554 -0.145 0.000 2.792 225 T HA 0.774 5.124 4.350 0.000 0.000 0.303 225 T C -2.066 172.539 174.700 -0.159 0.000 1.310 225 T CA -0.554 61.464 62.100 -0.136 0.000 1.007 225 T CB 1.509 70.195 68.868 -0.305 0.000 1.335 225 T HN 0.595 nan 8.240 nan 0.000 0.504 226 I N 3.670 124.207 120.570 -0.056 0.000 2.410 226 I HA 0.542 4.712 4.170 0.000 0.000 0.286 226 I C -0.221 175.980 176.117 0.141 0.000 1.009 226 I CA -0.697 60.575 61.300 -0.046 0.000 1.111 226 I CB 1.606 39.477 38.000 -0.216 0.000 1.262 226 I HN 0.498 nan 8.210 nan 0.000 0.443 227 N N 3.061 121.806 118.700 0.075 0.000 3.106 227 N HA 0.545 5.285 4.740 0.000 0.000 0.253 227 N C -0.823 174.578 175.510 -0.181 0.000 1.506 227 N CA -0.354 52.775 53.050 0.132 0.000 0.876 227 N CB 2.373 40.862 38.487 0.003 0.000 1.452 227 N HN 0.608 nan 8.380 nan 0.000 0.542 228 G N -0.004 108.358 108.800 -0.730 0.000 2.552 228 G HA2 0.451 4.411 3.960 0.000 0.000 0.318 228 G HA3 0.451 4.411 3.960 0.000 0.000 0.318 228 G C -1.900 172.015 174.900 -1.642 0.000 1.240 228 G CA -1.072 43.152 45.100 -1.461 0.000 1.002 228 G HN 0.347 nan 8.290 nan 0.000 0.493 229 P HA -0.110 nan 4.420 nan 0.000 0.218 229 P C 1.353 177.821 177.300 -1.386 0.000 1.148 229 P CA 1.575 63.413 63.100 -2.103 0.000 0.822 229 P CB -0.000 30.862 31.700 -1.396 0.000 0.784 230 W N -0.092 120.907 121.300 -0.502 0.000 2.364 230 W HA 0.005 4.665 4.660 0.000 0.000 0.281 230 W C 1.912 178.335 176.519 -0.160 0.000 1.219 230 W CA 0.959 58.147 57.345 -0.262 0.000 1.220 230 W CB -1.927 27.441 29.460 -0.153 0.000 1.127 230 W HN -0.139 nan 8.180 nan 0.000 0.556 231 A N 0.254 122.817 122.820 -0.428 0.000 2.067 231 A HA -0.010 4.310 4.320 0.000 0.000 0.217 231 A C 1.602 179.190 177.584 0.007 0.000 1.156 231 A CA 0.987 52.976 52.037 -0.081 0.000 0.683 231 A CB -1.229 17.698 19.000 -0.121 0.000 0.808 231 A HN 0.412 nan 8.150 nan 0.000 0.455 232 W N 0.271 121.495 121.300 -0.126 0.000 2.342 232 W HA -0.140 4.520 4.660 0.000 0.000 0.297 232 W C 2.732 179.206 176.519 -0.075 0.000 1.213 232 W CA 0.709 57.978 57.345 -0.125 0.000 1.251 232 W CB -1.563 27.912 29.460 0.024 0.000 1.136 232 W HN 0.426 nan 8.180 nan 0.000 0.526 233 S N 0.739 116.557 115.700 0.196 0.000 2.359 233 S HA -0.204 4.266 4.470 0.000 0.000 0.224 233 S C 1.737 176.385 174.600 0.080 0.000 1.035 233 S CA 1.848 60.126 58.200 0.131 0.000 1.018 233 S CB -0.342 62.912 63.200 0.090 0.000 0.876 233 S HN 0.157 nan 8.310 nan 0.000 0.448 234 N N 1.160 119.899 118.700 0.066 0.000 2.309 234 N HA 0.089 4.829 4.740 0.000 0.000 0.182 234 N C 1.623 177.143 175.510 0.016 0.000 1.018 234 N CA 1.028 54.107 53.050 0.049 0.000 0.876 234 N CB -0.406 38.124 38.487 0.072 0.000 0.972 234 N HN 0.523 nan 8.380 nan 0.000 0.434 235 I N 0.597 121.141 120.570 -0.043 0.000 2.500 235 I HA -0.155 4.015 4.170 0.000 0.000 0.252 235 I C 1.335 177.404 176.117 -0.081 0.000 1.142 235 I CA 0.793 62.003 61.300 -0.150 0.000 1.451 235 I CB -0.135 37.553 38.000 -0.522 0.000 1.093 235 I HN -0.073 nan 8.210 nan 0.000 0.430 236 D N 0.794 121.201 120.400 0.012 0.000 2.144 236 D HA -0.142 4.498 4.640 0.000 0.000 0.199 236 D C 2.184 178.528 176.300 0.074 0.000 0.984 236 D CA 1.564 55.639 54.000 0.124 0.000 0.834 236 D CB -0.312 40.578 40.800 0.150 0.000 0.955 236 D HN 0.262 nan 8.370 nan 0.000 0.465 237 T N 0.568 115.151 114.554 0.049 0.000 2.915 237 T HA -0.063 4.287 4.350 0.000 0.000 0.269 237 T C 1.353 176.067 174.700 0.025 0.000 1.071 237 T CA 0.761 62.883 62.100 0.036 0.000 1.132 237 T CB -0.043 68.844 68.868 0.032 0.000 0.878 237 T HN 0.225 nan 8.240 nan 0.000 0.479 238 S N 1.122 116.831 115.700 0.016 0.000 2.661 238 S HA 0.268 4.738 4.470 0.000 0.000 0.265 238 S C 0.370 174.971 174.600 0.002 0.000 1.225 238 S CA -0.810 57.391 58.200 0.000 0.000 0.986 238 S CB 0.702 63.891 63.200 -0.018 0.000 1.008 238 S HN 0.217 nan 8.310 nan 0.000 0.565 239 K N 0.373 120.763 120.400 -0.016 0.000 2.708 239 K HA 0.311 4.631 4.320 0.000 0.000 0.219 239 K C -0.998 175.584 176.600 -0.029 0.000 1.068 239 K CA -0.159 56.118 56.287 -0.015 0.000 1.212 239 K CB 0.032 32.519 32.500 -0.022 0.000 0.978 239 K HN 0.292 nan 8.250 nan 0.000 0.475 240 V N 1.836 121.735 119.914 -0.025 0.000 2.394 240 V HA 0.092 4.212 4.120 0.000 0.000 0.282 240 V C -0.119 176.020 176.094 0.076 0.000 1.031 240 V CA -1.094 61.182 62.300 -0.041 0.000 0.881 240 V CB 1.246 32.975 31.823 -0.156 0.000 0.982 240 V HN 0.274 nan 8.190 nan 0.000 0.451 241 N N 4.841 123.556 118.700 0.024 0.000 2.521 241 N HA 0.240 4.980 4.740 0.000 0.000 0.236 241 N C -0.807 174.702 175.510 -0.002 0.000 1.067 241 N CA -0.365 52.690 53.050 0.007 0.000 0.939 241 N CB 0.149 38.608 38.487 -0.047 0.000 1.201 241 N HN 0.615 nan 8.380 nan 0.000 0.511 242 Y N 0.858 121.069 120.300 -0.148 0.000 2.534 242 Y HA 0.905 5.455 4.550 0.000 0.000 0.329 242 Y C 0.335 175.992 175.900 -0.405 0.000 1.154 242 Y CA -1.619 56.350 58.100 -0.218 0.000 1.192 242 Y CB 0.758 39.215 38.460 -0.005 0.000 1.275 242 Y HN 0.305 nan 8.280 nan 0.000 0.491 243 G N 0.314 108.680 108.800 -0.722 0.000 2.574 243 G HA2 0.598 4.558 3.960 0.000 0.000 0.299 243 G HA3 0.598 4.558 3.960 0.000 0.000 0.299 243 G C -2.149 172.552 174.900 -0.331 0.000 1.298 243 G CA -1.128 43.524 45.100 -0.747 0.000 0.952 243 G HN 0.679 nan 8.290 nan 0.000 0.477 244 V N 0.435 120.253 119.914 -0.160 0.000 2.487 244 V HA 0.785 4.905 4.120 0.000 0.000 0.298 244 V C 0.190 176.315 176.094 0.051 0.000 1.028 244 V CA -0.411 61.870 62.300 -0.032 0.000 0.860 244 V CB 1.340 33.041 31.823 -0.203 0.000 0.991 244 V HN 0.980 nan 8.190 nan 0.000 0.427 245 T N 2.840 117.455 114.554 0.101 0.000 2.696 245 T HA 0.583 4.933 4.350 0.000 0.000 0.291 245 T C -0.730 173.967 174.700 -0.004 0.000 1.095 245 T CA -0.346 61.779 62.100 0.042 0.000 1.026 245 T CB 1.871 70.755 68.868 0.026 0.000 1.390 245 T HN 0.321 nan 8.240 nan 0.000 0.513 246 V N 2.941 122.835 119.914 -0.034 0.000 2.763 246 V HA 0.220 4.340 4.120 0.000 0.000 0.306 246 V C 0.798 176.846 176.094 -0.077 0.000 1.059 246 V CA -0.093 62.181 62.300 -0.043 0.000 1.138 246 V CB 0.028 31.823 31.823 -0.047 0.000 0.940 246 V HN 0.654 nan 8.190 nan 0.000 0.489 247 L N 5.795 126.978 121.223 -0.066 0.000 2.473 247 L HA 0.233 4.573 4.340 0.000 0.000 0.268 247 L C -2.015 174.773 176.870 -0.138 0.000 1.215 247 L CA -1.246 53.529 54.840 -0.109 0.000 0.823 247 L CB 0.113 42.154 42.059 -0.030 0.000 1.099 247 L HN 0.478 nan 8.230 nan 0.000 0.483 248 P HA 0.098 nan 4.420 nan 0.000 0.272 248 P C -0.677 176.624 177.300 0.003 0.000 1.230 248 P CA -0.463 62.467 63.100 -0.285 0.000 0.788 248 P CB 0.585 31.863 31.700 -0.703 0.000 0.949 249 T N -1.234 113.356 114.554 0.059 0.000 2.874 249 T HA 0.553 4.903 4.350 0.000 0.000 0.281 249 T C -0.812 174.081 174.700 0.321 0.000 0.994 249 T CA -0.351 61.840 62.100 0.152 0.000 1.015 249 T CB 0.275 69.171 68.868 0.046 0.000 1.028 249 T HN 0.195 nan 8.240 nan 0.000 0.523 250 F N 1.294 121.269 119.950 0.041 0.000 2.536 250 F HA 0.485 5.012 4.527 -0.000 0.000 0.322 250 F C 0.340 176.077 175.800 -0.105 0.000 1.144 250 F CA -1.410 56.538 58.000 -0.087 0.000 0.924 250 F CB 1.203 40.049 39.000 -0.257 0.000 1.181 250 F HN 0.904 nan 8.300 nan 0.000 0.438 251 K N 4.368 124.398 120.400 -0.618 0.000 3.071 251 K HA -0.187 4.133 4.320 0.000 0.000 0.265 251 K C 0.877 177.331 176.600 -0.243 0.000 1.060 251 K CA 0.877 56.855 56.287 -0.515 0.000 0.767 251 K CB -1.645 30.423 32.500 -0.720 0.000 1.241 251 K HN 1.468 nan 8.250 nan 0.000 0.486 252 G N -0.185 108.528 108.800 -0.144 0.000 2.155 252 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 252 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 252 G C -0.168 174.699 174.900 -0.055 0.000 0.983 252 G CA 0.883 45.934 45.100 -0.081 0.000 0.676 252 G HN 0.452 nan 8.290 nan 0.000 0.528 253 Q N -0.092 119.681 119.800 -0.044 0.000 2.342 253 Q HA 0.534 4.874 4.340 0.000 0.000 0.267 253 Q C -2.632 173.381 176.000 0.022 0.000 1.038 253 Q CA -2.210 53.582 55.803 -0.018 0.000 0.832 253 Q CB 2.450 31.171 28.738 -0.028 0.000 1.323 253 Q HN 0.129 nan 8.270 nan 0.000 0.448 254 P HA 0.004 nan 4.420 nan 0.000 0.269 254 P C -0.811 176.515 177.300 0.043 0.000 1.215 254 P CA 0.046 63.162 63.100 0.028 0.000 0.780 254 P CB 0.710 32.414 31.700 0.006 0.000 0.898 255 S N 1.764 117.511 115.700 0.077 0.000 2.572 255 S HA 0.133 4.603 4.470 0.000 0.000 0.279 255 S C 0.216 174.822 174.600 0.010 0.000 1.341 255 S CA -0.118 58.125 58.200 0.073 0.000 1.043 255 S CB -0.040 63.262 63.200 0.171 0.000 0.887 255 S HN 0.268 nan 8.310 nan 0.000 0.516 256 K N 3.303 123.675 120.400 -0.047 0.000 2.562 256 K HA 0.278 4.598 4.320 0.000 0.000 0.206 256 K C -2.601 174.001 176.600 0.003 0.000 1.033 256 K CA -1.714 54.550 56.287 -0.038 0.000 1.029 256 K CB 1.090 33.541 32.500 -0.081 0.000 1.393 256 K HN 0.404 nan 8.250 nan 0.000 0.539 257 P HA 0.004 nan 4.420 nan 0.000 0.271 257 P C -0.599 176.874 177.300 0.288 0.000 1.218 257 P CA -0.283 62.898 63.100 0.134 0.000 0.780 257 P CB 0.567 32.294 31.700 0.044 0.000 0.901 258 F N 2.019 122.182 119.950 0.355 0.000 2.445 258 F HA 0.101 4.628 4.527 0.000 0.000 0.359 258 F C 0.484 176.479 175.800 0.325 0.000 1.101 258 F CA -0.603 57.613 58.000 0.361 0.000 1.177 258 F CB 0.386 39.620 39.000 0.390 0.000 1.110 258 F HN -0.010 nan 8.300 nan 0.000 0.522 259 V N 4.614 124.853 119.914 0.541 0.000 2.498 259 V HA 0.553 4.673 4.120 0.000 0.000 0.279 259 V C 0.597 176.946 176.094 0.426 0.000 1.048 259 V CA -0.508 62.033 62.300 0.401 0.000 0.967 259 V CB 0.918 32.915 31.823 0.290 0.000 0.988 259 V HN 0.855 nan 8.190 nan 0.000 0.473 260 G N 3.139 112.165 108.800 0.377 0.000 2.420 260 G HA2 0.589 4.549 3.960 0.000 0.000 0.331 260 G HA3 0.589 4.549 3.960 0.000 0.000 0.331 260 G C -1.167 173.919 174.900 0.310 0.000 1.168 260 G CA -0.498 44.808 45.100 0.343 0.000 0.936 260 G HN 0.530 nan 8.290 nan 0.000 0.479 261 V N 3.132 123.308 119.914 0.437 0.000 2.313 261 V HA 0.203 4.323 4.120 0.000 0.000 0.278 261 V C 0.142 176.287 176.094 0.085 0.000 1.017 261 V CA -0.733 61.657 62.300 0.150 0.000 0.823 261 V CB 0.983 32.762 31.823 -0.073 0.000 1.010 261 V HN 0.712 nan 8.190 nan 0.000 0.443 262 L N 6.089 127.333 121.223 0.035 0.000 2.513 262 L HA 0.326 4.666 4.340 0.000 0.000 0.272 262 L C 0.330 177.179 176.870 -0.035 0.000 1.187 262 L CA 1.336 56.178 54.840 0.003 0.000 0.895 262 L CB 0.469 42.554 42.059 0.044 0.000 1.147 262 L HN 0.713 nan 8.230 nan 0.000 0.483 263 S N 3.272 118.896 115.700 -0.127 0.000 2.599 263 S HA 0.907 5.377 4.470 0.000 0.000 0.287 263 S C -0.861 173.531 174.600 -0.346 0.000 1.105 263 S CA -0.363 57.652 58.200 -0.308 0.000 0.899 263 S CB 1.829 64.657 63.200 -0.620 0.000 1.100 263 S HN 0.931 nan 8.310 nan 0.000 0.482 264 A N 1.017 123.603 122.820 -0.390 0.000 2.304 264 A HA 0.804 5.124 4.320 0.000 0.000 0.314 264 A C 0.149 177.709 177.584 -0.041 0.000 1.187 264 A CA -0.574 51.139 52.037 -0.540 0.000 0.810 264 A CB 0.589 19.013 19.000 -0.961 0.000 1.183 264 A HN 0.926 nan 8.150 nan 0.000 0.487 265 G N 0.969 109.884 108.800 0.192 0.000 2.441 265 G HA2 0.597 4.557 3.960 0.000 0.000 0.334 265 G HA3 0.597 4.557 3.960 0.000 0.000 0.334 265 G C -0.664 174.295 174.900 0.098 0.000 1.161 265 G CA -0.657 44.623 45.100 0.299 0.000 0.935 265 G HN 0.677 nan 8.290 nan 0.000 0.488 266 I N 1.662 122.306 120.570 0.123 0.000 2.321 266 I HA 0.128 4.298 4.170 0.000 0.000 0.291 266 I C 0.002 176.164 176.117 0.075 0.000 0.998 266 I CA -0.947 60.401 61.300 0.080 0.000 1.227 266 I CB 1.517 39.582 38.000 0.108 0.000 1.368 266 I HN 0.331 nan 8.210 nan 0.000 0.466 267 N N 4.707 123.443 118.700 0.060 0.000 2.411 267 N HA 0.002 4.742 4.740 0.000 0.000 0.261 267 N C 0.886 176.418 175.510 0.037 0.000 1.248 267 N CA 0.353 53.459 53.050 0.093 0.000 0.885 267 N CB 1.450 39.966 38.487 0.049 0.000 1.062 267 N HN 0.778 nan 8.380 nan 0.000 0.471 268 A N 3.784 126.621 122.820 0.029 0.000 2.070 268 A HA -0.026 4.294 4.320 0.000 0.000 0.220 268 A C 1.733 179.305 177.584 -0.020 0.000 1.159 268 A CA 1.646 53.688 52.037 0.008 0.000 0.656 268 A CB -0.399 18.603 19.000 0.003 0.000 0.800 268 A HN 0.744 nan 8.150 nan 0.000 0.453 269 A N -0.716 122.075 122.820 -0.048 0.000 2.275 269 A HA 0.380 4.700 4.320 0.000 0.000 0.212 269 A C 1.242 178.792 177.584 -0.057 0.000 1.201 269 A CA 0.610 52.608 52.037 -0.065 0.000 0.843 269 A CB -0.433 18.503 19.000 -0.106 0.000 0.873 269 A HN 0.408 nan 8.150 nan 0.000 0.492 270 S N 1.187 116.862 115.700 -0.041 0.000 2.549 270 S HA 0.318 4.788 4.470 0.000 0.000 0.279 270 S C -1.469 173.116 174.600 -0.024 0.000 1.321 270 S CA -0.921 57.256 58.200 -0.039 0.000 1.054 270 S CB 0.777 63.961 63.200 -0.028 0.000 0.899 270 S HN 0.314 nan 8.310 nan 0.000 0.497 271 P HA 0.232 nan 4.420 nan 0.000 0.261 271 P C -0.604 176.694 177.300 -0.004 0.000 1.352 271 P CA -0.029 63.062 63.100 -0.015 0.000 0.891 271 P CB 0.012 31.700 31.700 -0.020 0.000 1.383 272 N N 0.534 119.233 118.700 -0.002 0.000 2.571 272 N HA 0.131 4.871 4.740 0.000 0.000 0.298 272 N C 0.861 176.385 175.510 0.024 0.000 1.671 272 N CA -0.268 52.790 53.050 0.014 0.000 0.900 272 N CB 0.763 39.255 38.487 0.008 0.000 1.365 272 N HN 0.125 nan 8.380 nan 0.000 0.493 273 K N 0.590 121.007 120.400 0.027 0.000 2.097 273 K HA -0.164 4.156 4.320 0.000 0.000 0.206 273 K C 1.629 178.263 176.600 0.057 0.000 1.049 273 K CA 1.200 57.512 56.287 0.041 0.000 0.933 273 K CB 0.314 32.838 32.500 0.040 0.000 0.717 273 K HN 0.062 nan 8.250 nan 0.000 0.442 274 E N 1.391 121.625 120.200 0.057 0.000 2.106 274 E HA -0.098 4.252 4.350 0.000 0.000 0.192 274 E C 1.768 178.428 176.600 0.101 0.000 0.984 274 E CA 1.041 57.483 56.400 0.070 0.000 0.806 274 E CB -0.143 29.593 29.700 0.061 0.000 0.750 274 E HN 0.196 nan 8.360 nan 0.000 0.458 275 L N -0.265 121.028 121.223 0.117 0.000 2.141 275 L HA -0.059 4.281 4.340 0.000 0.000 0.209 275 L C 2.427 179.376 176.870 0.131 0.000 1.094 275 L CA 0.989 55.955 54.840 0.210 0.000 0.763 275 L CB -0.471 41.719 42.059 0.219 0.000 0.908 275 L HN 0.191 nan 8.230 nan 0.000 0.437 276 A N 0.184 123.034 122.820 0.051 0.000 1.898 276 A HA -0.243 4.077 4.320 0.000 0.000 0.216 276 A C 2.393 179.990 177.584 0.021 0.000 1.181 276 A CA 1.887 53.929 52.037 0.008 0.000 0.620 276 A CB -0.392 18.618 19.000 0.016 0.000 0.819 276 A HN 0.343 nan 8.150 nan 0.000 0.442 277 K N -0.176 120.246 120.400 0.036 0.000 2.026 277 K HA -0.199 4.121 4.320 0.000 0.000 0.208 277 K C 2.064 178.624 176.600 -0.067 0.000 1.048 277 K CA 1.665 57.943 56.287 -0.015 0.000 0.929 277 K CB -0.231 32.304 32.500 0.057 0.000 0.713 277 K HN 0.579 nan 8.250 nan 0.000 0.439 278 E N -0.325 119.914 120.200 0.065 0.000 2.077 278 E HA -0.220 4.130 4.350 0.000 0.000 0.193 278 E C 1.896 178.618 176.600 0.203 0.000 0.989 278 E CA 1.266 57.769 56.400 0.173 0.000 0.800 278 E CB -0.199 29.701 29.700 0.333 0.000 0.746 278 E HN 0.384 nan 8.360 nan 0.000 0.452 279 F N 1.230 121.081 119.950 -0.164 0.000 2.075 279 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 279 F C 1.941 177.638 175.800 -0.172 0.000 1.113 279 F CA 1.435 59.155 58.000 -0.467 0.000 1.218 279 F CB -0.264 38.144 39.000 -0.986 0.000 0.984 279 F HN -0.019 nan 8.300 nan 0.000 0.472 280 L N -0.084 120.971 121.223 -0.280 0.000 2.027 280 L HA -0.173 4.167 4.340 0.000 0.000 0.206 280 L C 2.428 179.033 176.870 -0.442 0.000 1.074 280 L CA 1.736 56.314 54.840 -0.436 0.000 0.745 280 L CB -0.761 40.953 42.059 -0.575 0.000 0.898 280 L HN 0.183 nan 8.230 nan 0.000 0.433 281 E N -0.127 119.782 120.200 -0.484 0.000 2.076 281 E HA -0.103 4.247 4.350 0.000 0.000 0.190 281 E C 1.548 178.098 176.600 -0.085 0.000 0.979 281 E CA 0.838 56.963 56.400 -0.459 0.000 0.807 281 E CB 0.056 29.289 29.700 -0.779 0.000 0.761 281 E HN 0.475 nan 8.360 nan 0.000 0.454 282 N N -0.795 117.874 118.700 -0.051 0.000 2.325 282 N HA 0.009 4.749 4.740 0.000 0.000 0.182 282 N C 0.676 176.029 175.510 -0.261 0.000 1.088 282 N CA 0.653 53.666 53.050 -0.061 0.000 0.879 282 N CB 0.395 38.886 38.487 0.007 0.000 0.983 282 N HN 0.207 nan 8.380 nan 0.000 0.471 283 Y N -0.372 119.815 120.300 -0.187 0.000 2.678 283 Y HA 0.219 4.769 4.550 0.000 0.000 0.274 283 Y C 1.810 177.506 175.900 -0.340 0.000 1.114 283 Y CA -0.296 57.664 58.100 -0.234 0.000 1.274 283 Y CB -0.326 37.987 38.460 -0.244 0.000 1.438 283 Y HN -0.144 nan 8.280 nan 0.000 0.493 284 L N 0.286 121.269 121.223 -0.401 0.000 2.023 284 L HA 0.063 4.403 4.340 0.000 0.000 0.205 284 L C 0.823 177.616 176.870 -0.128 0.000 1.073 284 L CA 1.783 56.443 54.840 -0.300 0.000 0.745 284 L CB -0.602 41.248 42.059 -0.349 0.000 0.900 284 L HN 0.121 nan 8.230 nan 0.000 0.435 285 L N 1.416 122.594 121.223 -0.074 0.000 2.672 285 L HA 0.175 4.515 4.340 0.000 0.000 0.238 285 L C -0.124 176.749 176.870 0.005 0.000 1.392 285 L CA -0.088 54.765 54.840 0.021 0.000 1.238 285 L CB -1.349 40.823 42.059 0.188 0.000 1.548 285 L HN 0.406 nan 8.230 nan 0.000 0.423 286 T N -6.365 108.150 114.554 -0.065 0.000 2.883 286 T HA 0.291 4.641 4.350 0.000 0.000 0.296 286 T C 0.575 175.190 174.700 -0.141 0.000 1.117 286 T CA -0.891 61.158 62.100 -0.085 0.000 1.006 286 T CB 2.101 70.904 68.868 -0.108 0.000 1.191 286 T HN -0.038 nan 8.240 nan 0.000 0.508 287 D N 0.868 121.185 120.400 -0.139 0.000 2.104 287 D HA -0.102 4.538 4.640 0.000 0.000 0.194 287 D C 1.789 177.887 176.300 -0.336 0.000 0.994 287 D CA 1.732 55.589 54.000 -0.238 0.000 0.830 287 D CB -0.108 40.629 40.800 -0.106 0.000 0.959 287 D HN 0.771 nan 8.370 nan 0.000 0.452 288 E N 0.398 120.482 120.200 -0.193 0.000 2.077 288 E HA -0.071 4.279 4.350 0.000 0.000 0.193 288 E C 2.213 178.719 176.600 -0.157 0.000 0.989 288 E CA 1.232 57.540 56.400 -0.153 0.000 0.800 288 E CB -0.768 28.881 29.700 -0.085 0.000 0.746 288 E HN 0.321 nan 8.360 nan 0.000 0.452 289 G N 1.073 109.786 108.800 -0.145 0.000 2.433 289 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 289 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 289 G C 1.544 176.362 174.900 -0.136 0.000 1.186 289 G CA 0.801 45.834 45.100 -0.111 0.000 0.779 289 G HN 0.157 nan 8.290 nan 0.000 0.543 290 L N 0.092 121.186 121.223 -0.215 0.000 2.131 290 L HA -0.033 4.307 4.340 0.000 0.000 0.210 290 L C 2.831 179.544 176.870 -0.263 0.000 1.092 290 L CA 1.008 55.731 54.840 -0.195 0.000 0.759 290 L CB -0.457 41.501 42.059 -0.168 0.000 0.903 290 L HN 0.308 nan 8.230 nan 0.000 0.435 291 E N 0.364 120.265 120.200 -0.499 0.000 2.085 291 E HA -0.242 4.108 4.350 0.000 0.000 0.194 291 E C 2.329 178.888 176.600 -0.068 0.000 0.994 291 E CA 1.256 57.484 56.400 -0.288 0.000 0.801 291 E CB -0.131 29.407 29.700 -0.270 0.000 0.743 291 E HN 0.510 nan 8.360 nan 0.000 0.453 292 A N 0.718 123.495 122.820 -0.072 0.000 1.902 292 A HA -0.154 4.166 4.320 0.000 0.000 0.217 292 A C 2.468 180.049 177.584 -0.005 0.000 1.181 292 A CA 1.287 53.313 52.037 -0.019 0.000 0.623 292 A CB -0.583 18.413 19.000 -0.007 0.000 0.818 292 A HN 0.125 nan 8.150 nan 0.000 0.443 293 V N 0.451 120.360 119.914 -0.009 0.000 2.379 293 V HA -0.223 3.897 4.120 0.000 0.000 0.245 293 V C 2.373 178.480 176.094 0.022 0.000 1.044 293 V CA 2.207 64.504 62.300 -0.005 0.000 1.036 293 V CB -1.104 30.716 31.823 -0.006 0.000 0.664 293 V HN 0.723 nan 8.190 nan 0.000 0.453 294 N N 0.519 119.262 118.700 0.071 0.000 2.149 294 N HA -0.239 4.501 4.740 0.000 0.000 0.188 294 N C 1.852 177.425 175.510 0.105 0.000 1.019 294 N CA 1.664 54.792 53.050 0.129 0.000 0.857 294 N CB -0.250 38.399 38.487 0.270 0.000 0.997 294 N HN 0.463 nan 8.380 nan 0.000 0.426 295 K N -0.057 120.392 120.400 0.080 0.000 2.097 295 K HA -0.186 4.134 4.320 0.000 0.000 0.206 295 K C 1.377 178.000 176.600 0.039 0.000 1.049 295 K CA 1.604 57.931 56.287 0.066 0.000 0.933 295 K CB -0.179 32.349 32.500 0.047 0.000 0.717 295 K HN 0.203 nan 8.250 nan 0.000 0.442 296 D N 0.213 120.616 120.400 0.005 0.000 2.085 296 D HA -0.049 4.591 4.640 0.000 0.000 0.199 296 D C -0.211 176.071 176.300 -0.029 0.000 0.981 296 D CA 1.255 55.230 54.000 -0.042 0.000 0.834 296 D CB 0.390 41.128 40.800 -0.103 0.000 0.992 296 D HN -0.066 nan 8.370 nan 0.000 0.457 297 K N 0.389 120.780 120.400 -0.015 0.000 2.565 297 K HA 0.388 4.708 4.320 0.000 0.000 0.249 297 K C -2.679 173.942 176.600 0.036 0.000 0.958 297 K CA -2.151 54.146 56.287 0.017 0.000 0.806 297 K CB 1.957 34.460 32.500 0.005 0.000 1.194 297 K HN -0.048 nan 8.250 nan 0.000 0.434 298 P HA 0.065 nan 4.420 nan 0.000 0.262 298 P C 0.656 177.925 177.300 -0.051 0.000 1.182 298 P CA 0.124 63.225 63.100 0.002 0.000 0.761 298 P CB 0.568 32.245 31.700 -0.038 0.000 0.795 299 L N 2.079 123.316 121.223 0.023 0.000 2.341 299 L HA 0.155 4.495 4.340 0.000 0.000 0.214 299 L C 1.534 178.405 176.870 0.002 0.000 1.115 299 L CA 1.144 56.013 54.840 0.047 0.000 0.820 299 L CB -0.765 41.359 42.059 0.109 0.000 0.944 299 L HN 0.745 nan 8.230 nan 0.000 0.452 300 G N -0.256 108.511 108.800 -0.056 0.000 2.464 300 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 300 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 300 G C -0.361 174.567 174.900 0.047 0.000 1.186 300 G CA -0.388 44.685 45.100 -0.044 0.000 1.010 300 G HN 0.385 nan 8.290 nan 0.000 0.585 301 A N -0.013 122.846 122.820 0.066 0.000 2.366 301 A HA 0.737 5.057 4.320 0.000 0.000 0.272 301 A C 0.811 178.441 177.584 0.077 0.000 1.135 301 A CA 0.562 52.637 52.037 0.064 0.000 0.804 301 A CB 0.383 19.427 19.000 0.074 0.000 1.064 301 A HN 2.274 nan 8.150 nan 0.000 0.499 302 V N 0.102 120.062 119.914 0.076 0.000 2.837 302 V HA 0.697 4.817 4.120 0.000 0.000 0.310 302 V C 1.106 177.280 176.094 0.133 0.000 1.059 302 V CA 0.005 62.369 62.300 0.107 0.000 1.004 302 V CB 0.937 32.856 31.823 0.160 0.000 1.045 302 V HN 1.198 nan 8.190 nan 0.000 0.465 303 A N 2.631 125.476 122.820 0.043 0.000 2.014 303 A HA 0.169 4.489 4.320 0.000 0.000 0.218 303 A C 1.180 178.682 177.584 -0.137 0.000 1.163 303 A CA 0.661 52.669 52.037 -0.048 0.000 0.652 303 A CB -0.478 18.378 19.000 -0.240 0.000 0.808 303 A HN 0.979 nan 8.150 nan 0.000 0.449 304 L N 1.031 122.204 121.223 -0.083 0.000 2.407 304 L HA 0.176 4.516 4.340 0.000 0.000 0.282 304 L C 1.045 177.828 176.870 -0.145 0.000 1.110 304 L CA 0.156 54.913 54.840 -0.138 0.000 0.863 304 L CB 0.190 42.233 42.059 -0.026 0.000 1.207 304 L HN 0.271 nan 8.230 nan 0.000 0.454 305 K N 1.528 121.689 120.400 -0.400 0.000 2.059 305 K HA -0.226 4.094 4.320 0.000 0.000 0.212 305 K C 2.007 178.556 176.600 -0.085 0.000 1.050 305 K CA 1.905 57.960 56.287 -0.387 0.000 0.927 305 K CB -0.256 31.937 32.500 -0.511 0.000 0.714 305 K HN 0.891 nan 8.250 nan 0.000 0.447 306 S N 0.415 116.079 115.700 -0.060 0.000 2.370 306 S HA -0.223 4.247 4.470 0.000 0.000 0.226 306 S C 2.048 176.716 174.600 0.113 0.000 1.033 306 S CA 1.127 59.337 58.200 0.018 0.000 1.011 306 S CB -0.576 62.625 63.200 0.003 0.000 0.852 306 S HN 0.378 nan 8.310 nan 0.000 0.457 307 Y N 2.414 122.702 120.300 -0.020 0.000 2.365 307 Y HA 0.185 4.735 4.550 -0.000 0.000 0.293 307 Y C 2.353 178.281 175.900 0.046 0.000 1.119 307 Y CA 1.106 59.212 58.100 0.011 0.000 1.203 307 Y CB -0.632 37.832 38.460 0.006 0.000 1.026 307 Y HN 0.311 nan 8.280 nan 0.000 0.549 308 E N 0.949 121.154 120.200 0.009 0.000 2.209 308 E HA -0.204 4.146 4.350 0.000 0.000 0.196 308 E C 1.688 178.279 176.600 -0.015 0.000 0.993 308 E CA 1.773 58.161 56.400 -0.018 0.000 0.819 308 E CB -0.216 29.613 29.700 0.216 0.000 0.745 308 E HN 0.631 nan 8.360 nan 0.000 0.477 309 E N -0.131 120.087 120.200 0.030 0.000 2.268 309 E HA -0.149 4.201 4.350 0.000 0.000 0.195 309 E C 1.688 178.292 176.600 0.005 0.000 0.995 309 E CA 0.879 57.299 56.400 0.033 0.000 0.836 309 E CB -0.002 29.727 29.700 0.048 0.000 0.763 309 E HN 0.390 nan 8.360 nan 0.000 0.491 310 E N 0.252 120.440 120.200 -0.020 0.000 2.318 310 E HA -0.034 4.316 4.350 0.000 0.000 0.193 310 E C 1.526 178.077 176.600 -0.083 0.000 0.998 310 E CA 0.198 56.593 56.400 -0.009 0.000 0.859 310 E CB 0.338 30.099 29.700 0.102 0.000 0.812 310 E HN 0.228 nan 8.360 nan 0.000 0.492 311 L N -0.285 120.831 121.223 -0.179 0.000 2.590 311 L HA 0.272 4.612 4.340 0.000 0.000 0.227 311 L C 2.281 179.112 176.870 -0.065 0.000 1.099 311 L CA 0.333 55.080 54.840 -0.156 0.000 0.872 311 L CB 0.151 42.048 42.059 -0.270 0.000 1.088 311 L HN 0.079 nan 8.230 nan 0.000 0.479 312 A N 1.736 124.529 122.820 -0.044 0.000 2.024 312 A HA -0.223 4.097 4.320 0.000 0.000 0.220 312 A C 2.212 179.785 177.584 -0.019 0.000 1.164 312 A CA 1.852 53.879 52.037 -0.018 0.000 0.643 312 A CB -0.390 18.610 19.000 -0.000 0.000 0.806 312 A HN 0.562 nan 8.150 nan 0.000 0.451 313 K N -0.526 119.861 120.400 -0.022 0.000 2.487 313 K HA 0.021 4.341 4.320 0.000 0.000 0.192 313 K C -0.215 176.363 176.600 -0.037 0.000 1.027 313 K CA 0.356 56.629 56.287 -0.025 0.000 1.054 313 K CB -0.039 32.450 32.500 -0.019 0.000 0.824 313 K HN 0.208 nan 8.250 nan 0.000 0.510 314 D N 2.268 122.645 120.400 -0.038 0.000 2.317 314 D HA 0.108 4.748 4.640 0.000 0.000 0.252 314 D C -1.772 174.479 176.300 -0.082 0.000 1.174 314 D CA -2.523 51.441 54.000 -0.059 0.000 0.866 314 D CB 1.780 42.562 40.800 -0.029 0.000 1.127 314 D HN -0.088 nan 8.370 nan 0.000 0.467 315 P HA -0.066 nan 4.420 nan 0.000 0.218 315 P C 1.089 178.291 177.300 -0.162 0.000 1.149 315 P CA 1.000 64.023 63.100 -0.129 0.000 0.817 315 P CB 0.310 31.919 31.700 -0.152 0.000 0.785 316 R N -0.784 119.546 120.500 -0.284 0.000 2.115 316 R HA -0.002 4.338 4.340 0.000 0.000 0.230 316 R C 2.216 178.467 176.300 -0.082 0.000 1.111 316 R CA 1.046 56.881 56.100 -0.441 0.000 0.976 316 R CB -0.760 28.819 30.300 -1.201 0.000 0.870 316 R HN 0.258 nan 8.270 nan 0.000 0.445 317 I N 0.367 120.955 120.570 0.029 0.000 2.500 317 I HA -0.135 4.035 4.170 0.000 0.000 0.252 317 I C 2.447 178.607 176.117 0.071 0.000 1.142 317 I CA 0.650 62.044 61.300 0.156 0.000 1.451 317 I CB -0.199 37.873 38.000 0.120 0.000 1.093 317 I HN 0.163 nan 8.210 nan 0.000 0.430 318 A N 0.842 123.669 122.820 0.012 0.000 1.898 318 A HA -0.125 4.195 4.320 0.000 0.000 0.216 318 A C 2.538 180.126 177.584 0.007 0.000 1.181 318 A CA 1.720 53.756 52.037 -0.003 0.000 0.620 318 A CB -0.706 18.279 19.000 -0.025 0.000 0.819 318 A HN 0.396 nan 8.150 nan 0.000 0.442 319 A N -0.971 121.853 122.820 0.006 0.000 1.898 319 A HA -0.069 4.251 4.320 0.000 0.000 0.216 319 A C 2.293 179.912 177.584 0.058 0.000 1.181 319 A CA 2.241 54.289 52.037 0.018 0.000 0.620 319 A CB -1.254 17.750 19.000 0.005 0.000 0.819 319 A HN 0.419 nan 8.150 nan 0.000 0.442 320 T N 0.146 114.769 114.554 0.115 0.000 2.746 320 T HA -0.142 4.208 4.350 0.000 0.000 0.267 320 T C 1.957 176.702 174.700 0.075 0.000 1.039 320 T CA 1.631 63.810 62.100 0.132 0.000 1.142 320 T CB -0.254 68.735 68.868 0.201 0.000 0.866 320 T HN 0.299 nan 8.240 nan 0.000 0.444 321 M N 1.042 120.674 119.600 0.053 0.000 2.175 321 M HA -0.021 4.459 4.480 0.000 0.000 0.264 321 M C 2.184 178.482 176.300 -0.003 0.000 1.063 321 M CA 1.387 56.696 55.300 0.016 0.000 1.119 321 M CB -0.908 31.690 32.600 -0.004 0.000 1.377 321 M HN 0.402 nan 8.290 nan 0.000 0.415 322 E N 0.134 120.335 120.200 0.001 0.000 2.047 322 E HA -0.160 4.190 4.350 0.000 0.000 0.191 322 E C 1.834 178.433 176.600 -0.002 0.000 0.987 322 E CA 0.878 57.272 56.400 -0.009 0.000 0.799 322 E CB -0.126 29.568 29.700 -0.011 0.000 0.752 322 E HN 0.502 nan 8.360 nan 0.000 0.449 323 N N 0.698 119.407 118.700 0.014 0.000 2.188 323 N HA -0.115 4.625 4.740 0.000 0.000 0.184 323 N C 1.756 177.285 175.510 0.032 0.000 1.018 323 N CA 1.147 54.209 53.050 0.021 0.000 0.858 323 N CB -0.167 38.337 38.487 0.028 0.000 0.989 323 N HN 0.107 nan 8.380 nan 0.000 0.426 324 A N 1.236 124.078 122.820 0.037 0.000 1.902 324 A HA -0.163 4.157 4.320 0.000 0.000 0.217 324 A C 2.164 179.756 177.584 0.013 0.000 1.181 324 A CA 1.192 53.257 52.037 0.047 0.000 0.623 324 A CB -0.558 18.470 19.000 0.046 0.000 0.818 324 A HN 0.221 nan 8.150 nan 0.000 0.443 325 Q N 0.235 120.022 119.800 -0.021 0.000 2.170 325 Q HA -0.153 4.187 4.340 0.000 0.000 0.203 325 Q C 1.599 177.585 176.000 -0.023 0.000 0.976 325 Q CA 1.842 57.617 55.803 -0.047 0.000 0.858 325 Q CB -0.139 28.562 28.738 -0.061 0.000 0.907 325 Q HN 0.722 nan 8.270 nan 0.000 0.433 326 K N -0.576 119.821 120.400 -0.006 0.000 2.365 326 K HA 0.073 4.393 4.320 0.000 0.000 0.197 326 K C 1.157 177.767 176.600 0.016 0.000 1.042 326 K CA 0.514 56.801 56.287 0.000 0.000 0.987 326 K CB 0.198 32.698 32.500 0.000 0.000 0.779 326 K HN 0.171 nan 8.250 nan 0.000 0.484 327 G N 0.621 109.444 108.800 0.040 0.000 2.574 327 G HA2 0.237 4.197 3.960 0.000 0.000 0.248 327 G HA3 0.237 4.197 3.960 0.000 0.000 0.248 327 G C -1.009 173.950 174.900 0.099 0.000 1.422 327 G CA -0.199 44.945 45.100 0.073 0.000 1.051 327 G HN 0.001 nan 8.290 nan 0.000 0.560 328 E N -1.435 118.877 120.200 0.187 0.000 2.292 328 E HA 0.448 4.798 4.350 0.000 0.000 0.272 328 E C -0.429 176.410 176.600 0.400 0.000 0.881 328 E CA -0.611 55.934 56.400 0.242 0.000 0.754 328 E CB 1.853 31.701 29.700 0.247 0.000 1.201 328 E HN 0.331 nan 8.360 nan 0.000 0.425 329 I N 4.204 124.953 120.570 0.298 0.000 2.618 329 I HA 0.065 4.235 4.170 0.000 0.000 0.284 329 I C 0.737 177.077 176.117 0.371 0.000 1.146 329 I CA 0.182 61.676 61.300 0.325 0.000 1.425 329 I CB 0.400 38.520 38.000 0.201 0.000 1.383 329 I HN 0.435 nan 8.210 nan 0.000 0.562 330 M N 7.466 127.244 119.600 0.297 0.000 2.245 330 M HA 0.176 4.656 4.480 0.000 0.000 0.330 330 M C -2.176 174.096 176.300 -0.047 0.000 1.098 330 M CA -1.164 54.013 55.300 -0.206 0.000 1.172 330 M CB -0.126 32.199 32.600 -0.459 0.000 1.467 330 M HN 0.233 nan 8.290 nan 0.000 0.454 331 P HA 0.109 nan 4.420 nan 0.000 0.274 331 P C -0.442 176.755 177.300 -0.171 0.000 1.256 331 P CA -0.204 62.688 63.100 -0.347 0.000 0.795 331 P CB 0.454 31.612 31.700 -0.903 0.000 1.038 332 N N 0.519 119.210 118.700 -0.015 0.000 2.197 332 N HA 0.053 4.793 4.740 0.000 0.000 0.228 332 N C 0.277 175.788 175.510 0.002 0.000 1.212 332 N CA -0.248 52.823 53.050 0.035 0.000 0.883 332 N CB -0.798 37.822 38.487 0.221 0.000 1.107 332 N HN 0.369 nan 8.380 nan 0.000 0.519 333 I N -2.126 118.417 120.570 -0.045 0.000 2.892 333 I HA 0.225 4.395 4.170 0.000 0.000 0.287 333 I C -1.510 174.548 176.117 -0.098 0.000 1.205 333 I CA -1.400 59.887 61.300 -0.023 0.000 1.409 333 I CB 0.319 38.222 38.000 -0.161 0.000 1.367 333 I HN -0.288 nan 8.210 nan 0.000 0.597 334 P HA -0.168 nan 4.420 nan 0.000 0.218 334 P C 0.965 178.233 177.300 -0.054 0.000 1.146 334 P CA 1.391 64.447 63.100 -0.073 0.000 0.813 334 P CB 0.030 31.716 31.700 -0.023 0.000 0.778 335 Q N -2.051 117.689 119.800 -0.101 0.000 2.488 335 Q HA 0.036 4.376 4.340 0.000 0.000 0.211 335 Q C 1.815 177.895 176.000 0.134 0.000 0.967 335 Q CA 0.780 56.567 55.803 -0.026 0.000 0.926 335 Q CB -0.722 27.912 28.738 -0.174 0.000 0.992 335 Q HN 0.218 nan 8.270 nan 0.000 0.506 336 M N -0.597 119.036 119.600 0.055 0.000 2.213 336 M HA -0.134 4.346 4.480 0.000 0.000 0.263 336 M C 2.083 178.543 176.300 0.268 0.000 1.062 336 M CA 1.308 56.688 55.300 0.134 0.000 1.105 336 M CB -1.074 31.532 32.600 0.009 0.000 1.385 336 M HN 0.266 nan 8.290 nan 0.000 0.417 337 S N 0.381 116.204 115.700 0.206 0.000 2.356 337 S HA -0.095 4.375 4.470 0.000 0.000 0.223 337 S C 2.025 176.780 174.600 0.257 0.000 1.032 337 S CA 1.565 59.901 58.200 0.228 0.000 1.005 337 S CB -0.110 63.144 63.200 0.089 0.000 0.867 337 S HN 0.494 nan 8.310 nan 0.000 0.449 338 A N 0.749 123.701 122.820 0.220 0.000 1.902 338 A HA 0.010 4.330 4.320 0.000 0.000 0.217 338 A C 1.991 179.725 177.584 0.249 0.000 1.181 338 A CA 1.651 53.826 52.037 0.231 0.000 0.623 338 A CB -1.117 18.004 19.000 0.201 0.000 0.818 338 A HN 0.726 nan 8.150 nan 0.000 0.443 339 F N -0.734 119.276 119.950 0.100 0.000 2.069 339 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 339 F C 2.052 177.828 175.800 -0.039 0.000 1.113 339 F CA 1.804 59.756 58.000 -0.081 0.000 1.214 339 F CB -0.710 38.115 39.000 -0.292 0.000 0.978 339 F HN 0.390 nan 8.300 nan 0.000 0.474 340 W N -1.269 119.924 121.300 -0.179 0.000 2.338 340 W HA -0.250 4.410 4.660 0.000 0.000 0.304 340 W C 2.479 178.931 176.519 -0.111 0.000 1.212 340 W CA 1.224 58.406 57.345 -0.271 0.000 1.264 340 W CB -0.837 28.630 29.460 0.012 0.000 1.142 340 W HN 0.158 nan 8.180 nan 0.000 0.512 341 Y N 0.757 121.140 120.300 0.139 0.000 2.200 341 Y HA -0.174 4.376 4.550 0.000 0.000 0.290 341 Y C 2.291 178.207 175.900 0.027 0.000 1.137 341 Y CA 1.689 59.838 58.100 0.081 0.000 1.163 341 Y CB -0.944 37.560 38.460 0.074 0.000 0.988 341 Y HN -0.084 nan 8.280 nan 0.000 0.518 342 A N -0.858 121.972 122.820 0.016 0.000 1.877 342 A HA -0.152 4.168 4.320 0.000 0.000 0.216 342 A C 2.337 179.843 177.584 -0.130 0.000 1.186 342 A CA 2.136 54.130 52.037 -0.072 0.000 0.620 342 A CB -1.273 17.715 19.000 -0.019 0.000 0.822 342 A HN 0.271 nan 8.150 nan 0.000 0.443 343 V N 0.029 119.824 119.914 -0.199 0.000 2.427 343 V HA -0.222 3.898 4.120 0.000 0.000 0.248 343 V C 2.599 178.681 176.094 -0.019 0.000 1.051 343 V CA 2.116 64.337 62.300 -0.133 0.000 1.048 343 V CB -0.880 30.773 31.823 -0.284 0.000 0.666 343 V HN 0.659 nan 8.190 nan 0.000 0.456 344 R N 0.204 120.698 120.500 -0.010 0.000 2.083 344 R HA -0.188 4.152 4.340 0.000 0.000 0.237 344 R C 2.356 178.614 176.300 -0.070 0.000 1.137 344 R CA 2.273 58.381 56.100 0.013 0.000 0.951 344 R CB -0.525 29.783 30.300 0.013 0.000 0.851 344 R HN 0.531 nan 8.270 nan 0.000 0.434 345 T N 0.559 115.000 114.554 -0.188 0.000 2.746 345 T HA -0.103 4.247 4.350 0.000 0.000 0.267 345 T C 1.827 176.473 174.700 -0.089 0.000 1.039 345 T CA 1.329 63.316 62.100 -0.188 0.000 1.142 345 T CB -0.314 68.387 68.868 -0.277 0.000 0.866 345 T HN 0.474 nan 8.240 nan 0.000 0.444 346 A N 1.003 123.784 122.820 -0.065 0.000 1.902 346 A HA -0.048 4.272 4.320 0.000 0.000 0.217 346 A C 2.593 180.173 177.584 -0.007 0.000 1.181 346 A CA 1.391 53.411 52.037 -0.028 0.000 0.623 346 A CB -1.007 17.983 19.000 -0.015 0.000 0.818 346 A HN 0.356 nan 8.150 nan 0.000 0.443 347 V N 0.166 120.089 119.914 0.016 0.000 2.358 347 V HA -0.243 3.877 4.120 0.000 0.000 0.246 347 V C 2.409 178.511 176.094 0.013 0.000 1.047 347 V CA 1.926 64.246 62.300 0.034 0.000 1.035 347 V CB -0.647 31.229 31.823 0.087 0.000 0.658 347 V HN 0.561 nan 8.190 nan 0.000 0.452 348 I N 0.439 121.011 120.570 0.003 0.000 2.252 348 I HA -0.193 3.977 4.170 0.000 0.000 0.245 348 I C 2.339 178.447 176.117 -0.015 0.000 1.102 348 I CA 1.323 62.618 61.300 -0.007 0.000 1.385 348 I CB -0.461 37.531 38.000 -0.013 0.000 1.064 348 I HN 0.356 nan 8.210 nan 0.000 0.414 349 N N 1.176 119.863 118.700 -0.021 0.000 2.188 349 N HA -0.100 4.640 4.740 0.000 0.000 0.184 349 N C 1.876 177.376 175.510 -0.016 0.000 1.018 349 N CA 1.561 54.600 53.050 -0.020 0.000 0.858 349 N CB -0.353 38.120 38.487 -0.023 0.000 0.989 349 N HN 0.330 nan 8.380 nan 0.000 0.426 350 A N 0.767 123.579 122.820 -0.013 0.000 1.898 350 A HA 0.116 4.436 4.320 0.000 0.000 0.216 350 A C 2.306 179.880 177.584 -0.017 0.000 1.181 350 A CA 1.705 53.734 52.037 -0.013 0.000 0.620 350 A CB -0.716 18.278 19.000 -0.010 0.000 0.819 350 A HN 0.295 nan 8.150 nan 0.000 0.442 351 A N 0.259 123.068 122.820 -0.017 0.000 1.930 351 A HA -0.048 4.272 4.320 0.000 0.000 0.217 351 A C 2.440 180.009 177.584 -0.026 0.000 1.175 351 A CA 2.141 54.163 52.037 -0.025 0.000 0.627 351 A CB -0.765 18.219 19.000 -0.026 0.000 0.815 351 A HN 0.952 nan 8.150 nan 0.000 0.443 352 S N -2.316 113.371 115.700 -0.021 0.000 2.496 352 S HA 0.355 4.825 4.470 0.000 0.000 0.224 352 S C 1.524 176.113 174.600 -0.018 0.000 0.996 352 S CA 1.200 59.388 58.200 -0.019 0.000 0.927 352 S CB -0.099 63.091 63.200 -0.015 0.000 0.774 352 S HN 1.879 nan 8.310 nan 0.000 0.524 353 G N 1.619 110.408 108.800 -0.017 0.000 2.176 353 G HA2 -0.270 3.690 3.960 0.000 0.000 0.232 353 G HA3 -0.270 3.690 3.960 0.000 0.000 0.232 353 G C 0.944 175.837 174.900 -0.012 0.000 0.986 353 G CA 0.199 45.289 45.100 -0.016 0.000 0.643 353 G HN 0.480 nan 8.290 nan 0.000 0.522 354 R N -0.007 120.486 120.500 -0.011 0.000 2.127 354 R HA 0.016 4.356 4.340 0.000 0.000 0.238 354 R C 1.101 177.396 176.300 -0.008 0.000 1.134 354 R CA 1.569 57.663 56.100 -0.009 0.000 0.975 354 R CB -0.052 30.242 30.300 -0.009 0.000 0.865 354 R HN 0.596 nan 8.270 nan 0.000 0.447 355 Q N -0.900 118.894 119.800 -0.010 0.000 2.456 355 Q HA 0.209 4.549 4.340 0.000 0.000 0.284 355 Q C -0.823 175.172 176.000 -0.009 0.000 1.061 355 Q CA -0.665 55.133 55.803 -0.008 0.000 0.799 355 Q CB 2.335 31.067 28.738 -0.009 0.000 1.445 355 Q HN 0.052 nan 8.270 nan 0.000 0.411 356 T N -2.697 111.853 114.554 -0.007 0.000 2.816 356 T HA 0.246 4.596 4.350 0.000 0.000 0.282 356 T C 1.284 175.980 174.700 -0.006 0.000 0.993 356 T CA -0.644 61.453 62.100 -0.006 0.000 0.994 356 T CB 0.636 69.502 68.868 -0.004 0.000 1.025 356 T HN 0.310 nan 8.240 nan 0.000 0.529 357 V N 1.269 121.179 119.914 -0.006 0.000 2.255 357 V HA -0.170 3.950 4.120 0.000 0.000 0.247 357 V C 2.506 178.598 176.094 -0.004 0.000 1.051 357 V CA 2.314 64.610 62.300 -0.005 0.000 1.018 357 V CB -1.024 30.797 31.823 -0.004 0.000 0.641 357 V HN 0.894 nan 8.190 nan 0.000 0.445 358 D N -0.320 120.079 120.400 -0.001 0.000 2.123 358 D HA -0.161 4.479 4.640 0.000 0.000 0.196 358 D C 2.269 178.569 176.300 -0.001 0.000 0.992 358 D CA 1.412 55.412 54.000 -0.000 0.000 0.833 358 D CB -0.149 40.652 40.800 0.002 0.000 0.954 358 D HN 0.586 nan 8.370 nan 0.000 0.455 359 E N 0.301 120.500 120.200 -0.001 0.000 2.047 359 E HA -0.086 4.264 4.350 0.000 0.000 0.191 359 E C 2.160 178.758 176.600 -0.003 0.000 0.987 359 E CA 0.899 57.299 56.400 -0.001 0.000 0.799 359 E CB -0.111 29.588 29.700 -0.001 0.000 0.752 359 E HN 0.221 nan 8.360 nan 0.000 0.449 360 A N 1.558 124.374 122.820 -0.005 0.000 1.865 360 A HA -0.175 4.145 4.320 0.000 0.000 0.217 360 A C 2.220 179.800 177.584 -0.007 0.000 1.191 360 A CA 1.238 53.270 52.037 -0.009 0.000 0.623 360 A CB -0.725 18.269 19.000 -0.010 0.000 0.826 360 A HN 0.135 nan 8.150 nan 0.000 0.444 361 L N -0.966 120.255 121.223 -0.005 0.000 2.217 361 L HA -0.116 4.224 4.340 0.000 0.000 0.211 361 L C 2.567 179.435 176.870 -0.003 0.000 1.107 361 L CA 1.500 56.338 54.840 -0.003 0.000 0.783 361 L CB -0.380 41.675 42.059 -0.006 0.000 0.919 361 L HN 0.488 nan 8.230 nan 0.000 0.442 362 K N 0.365 120.764 120.400 -0.002 0.000 2.057 362 K HA -0.188 4.132 4.320 0.000 0.000 0.206 362 K C 1.562 178.165 176.600 0.006 0.000 1.050 362 K CA 1.660 57.948 56.287 0.002 0.000 0.935 362 K CB 0.092 32.594 32.500 0.004 0.000 0.715 362 K HN 0.206 nan 8.250 nan 0.000 0.439 363 D N 0.399 120.801 120.400 0.004 0.000 2.178 363 D HA -0.108 4.532 4.640 0.000 0.000 0.202 363 D C 1.751 178.055 176.300 0.007 0.000 0.974 363 D CA 1.178 55.181 54.000 0.006 0.000 0.841 363 D CB -0.149 40.652 40.800 0.001 0.000 0.953 363 D HN 0.350 nan 8.370 nan 0.000 0.478 364 A N 0.896 123.715 122.820 -0.001 0.000 1.933 364 A HA -0.238 4.082 4.320 0.000 0.000 0.218 364 A C 2.144 179.734 177.584 0.010 0.000 1.175 364 A CA 1.746 53.780 52.037 -0.006 0.000 0.628 364 A CB -0.657 18.334 19.000 -0.015 0.000 0.814 364 A HN 0.260 nan 8.150 nan 0.000 0.444 365 Q N -0.699 119.106 119.800 0.009 0.000 2.050 365 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 365 Q C 1.998 178.018 176.000 0.034 0.000 0.980 365 Q CA 2.149 57.959 55.803 0.013 0.000 0.840 365 Q CB -0.352 28.387 28.738 0.001 0.000 0.898 365 Q HN 0.561 nan 8.270 nan 0.000 0.424 366 T N 1.594 116.167 114.554 0.032 0.000 2.746 366 T HA -0.101 4.249 4.350 0.000 0.000 0.267 366 T C 1.553 176.286 174.700 0.056 0.000 1.039 366 T CA 1.373 63.498 62.100 0.042 0.000 1.142 366 T CB -0.257 68.631 68.868 0.033 0.000 0.866 366 T HN 0.358 nan 8.240 nan 0.000 0.444 367 N N 1.337 120.070 118.700 0.055 0.000 2.270 367 N HA -0.045 4.695 4.740 0.000 0.000 0.181 367 N C 2.104 177.677 175.510 0.104 0.000 1.016 367 N CA 1.434 54.529 53.050 0.074 0.000 0.870 367 N CB -0.249 38.279 38.487 0.068 0.000 0.979 367 N HN 0.546 nan 8.380 nan 0.000 0.431 368 S N -1.304 114.459 115.700 0.105 0.000 2.524 368 S HA 0.123 4.593 4.470 0.000 0.000 0.216 368 S C 0.924 175.650 174.600 0.209 0.000 0.987 368 S CA -0.472 57.825 58.200 0.161 0.000 0.909 368 S CB 0.254 63.533 63.200 0.133 0.000 0.781 368 S HN 0.077 nan 8.310 nan 0.000 0.521 369 S N 2.161 117.953 115.700 0.153 0.000 2.554 369 S HA 0.611 5.081 4.470 0.000 0.000 0.278 369 S C 0.231 174.921 174.600 0.150 0.000 1.242 369 S CA -0.424 57.880 58.200 0.174 0.000 1.051 369 S CB 0.975 64.246 63.200 0.119 0.000 0.986 369 S HN 0.645 nan 8.310 nan 0.000 0.502 542 G N 1.413 110.218 108.800 0.008 0.000 2.394 542 G HA2 -0.005 3.955 3.960 0.000 0.000 0.214 542 G HA3 -0.005 3.955 3.960 0.000 0.000 0.214 542 G C 1.383 176.287 174.900 0.007 0.000 1.176 542 G CA 1.380 46.485 45.100 0.009 0.000 0.786 542 G HN 0.345 nan 8.290 nan 0.000 0.533 543 I N 0.677 121.251 120.570 0.006 0.000 2.151 543 I HA -0.242 3.928 4.170 0.000 0.000 0.243 543 I C 2.640 178.759 176.117 0.002 0.000 1.080 543 I CA 1.767 63.069 61.300 0.004 0.000 1.339 543 I CB -0.277 37.724 38.000 0.003 0.000 1.039 543 I HN 0.282 nan 8.210 nan 0.000 0.409 544 E N 0.979 121.180 120.200 0.002 0.000 2.160 544 E HA -0.204 4.146 4.350 0.000 0.000 0.195 544 E C 2.254 178.853 176.600 -0.001 0.000 0.991 544 E CA 1.324 57.724 56.400 -0.000 0.000 0.810 544 E CB -0.179 29.521 29.700 -0.001 0.000 0.742 544 E HN 0.557 nan 8.360 nan 0.000 0.466 545 G N 0.484 109.285 108.800 0.002 0.000 2.403 545 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 545 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 545 G C 1.696 176.598 174.900 0.003 0.000 1.154 545 G CA 0.578 45.679 45.100 0.003 0.000 0.784 545 G HN 0.110 nan 8.290 nan 0.000 0.538 546 R N 1.167 121.669 120.500 0.004 0.000 2.075 546 R HA 0.035 4.375 4.340 0.000 0.000 0.232 546 R C 2.734 179.034 176.300 0.001 0.000 1.126 546 R CA 1.889 57.991 56.100 0.004 0.000 0.963 546 R CB -0.788 29.515 30.300 0.006 0.000 0.858 546 R HN 0.252 nan 8.270 nan 0.000 0.435 547 S N -0.193 115.506 115.700 -0.001 0.000 2.356 547 S HA -0.104 4.366 4.470 0.000 0.000 0.223 547 S C 1.997 176.593 174.600 -0.006 0.000 1.032 547 S CA 1.622 59.820 58.200 -0.003 0.000 1.005 547 S CB -0.314 62.884 63.200 -0.004 0.000 0.867 547 S HN 0.378 nan 8.310 nan 0.000 0.449 548 S N 0.955 116.650 115.700 -0.008 0.000 2.402 548 S HA -0.100 4.370 4.470 0.000 0.000 0.229 548 S C 1.895 176.487 174.600 -0.013 0.000 1.021 548 S CA 0.807 58.999 58.200 -0.013 0.000 0.974 548 S CB -0.267 62.924 63.200 -0.016 0.000 0.800 548 S HN 0.531 nan 8.310 nan 0.000 0.484 549 E N 0.962 121.157 120.200 -0.008 0.000 2.077 549 E HA -0.183 4.167 4.350 0.000 0.000 0.193 549 E C 1.683 178.279 176.600 -0.007 0.000 0.989 549 E CA 0.958 57.354 56.400 -0.005 0.000 0.800 549 E CB 0.031 29.732 29.700 0.002 0.000 0.746 549 E HN 0.334 nan 8.360 nan 0.000 0.452 550 E N 0.623 120.819 120.200 -0.006 0.000 2.106 550 E HA -0.161 4.189 4.350 0.000 0.000 0.192 550 E C 2.141 178.735 176.600 -0.010 0.000 0.984 550 E CA 0.406 56.802 56.400 -0.006 0.000 0.806 550 E CB -0.312 29.386 29.700 -0.004 0.000 0.750 550 E HN 0.230 nan 8.360 nan 0.000 0.458 551 L N 0.944 122.160 121.223 -0.012 0.000 2.056 551 L HA -0.076 4.264 4.340 0.000 0.000 0.207 551 L C 2.371 179.230 176.870 -0.018 0.000 1.078 551 L CA 1.103 55.934 54.840 -0.014 0.000 0.749 551 L CB -0.567 41.483 42.059 -0.015 0.000 0.901 551 L HN 0.113 nan 8.230 nan 0.000 0.433 552 L N -0.889 120.322 121.223 -0.020 0.000 2.046 552 L HA -0.272 4.068 4.340 0.000 0.000 0.208 552 L C 2.517 179.374 176.870 -0.021 0.000 1.077 552 L CA 1.594 56.419 54.840 -0.024 0.000 0.747 552 L CB -0.309 41.735 42.059 -0.025 0.000 0.896 552 L HN 0.229 nan 8.230 nan 0.000 0.432 553 K N -0.143 120.246 120.400 -0.017 0.000 2.097 553 K HA -0.162 4.158 4.320 0.000 0.000 0.206 553 K C 2.017 178.605 176.600 -0.020 0.000 1.049 553 K CA 1.701 57.977 56.287 -0.018 0.000 0.933 553 K CB -0.209 32.282 32.500 -0.015 0.000 0.717 553 K HN 0.403 nan 8.250 nan 0.000 0.442 554 I N 0.818 121.378 120.570 -0.017 0.000 2.252 554 I HA -0.257 3.913 4.170 0.000 0.000 0.245 554 I C 2.498 178.606 176.117 -0.015 0.000 1.102 554 I CA 0.975 62.265 61.300 -0.017 0.000 1.385 554 I CB -0.360 37.632 38.000 -0.014 0.000 1.064 554 I HN 0.133 nan 8.210 nan 0.000 0.414 555 A N 0.963 123.775 122.820 -0.014 0.000 1.902 555 A HA -0.163 4.157 4.320 0.000 0.000 0.217 555 A C 2.301 179.879 177.584 -0.009 0.000 1.181 555 A CA 1.428 53.459 52.037 -0.009 0.000 0.623 555 A CB -0.825 18.169 19.000 -0.011 0.000 0.818 555 A HN 0.382 nan 8.150 nan 0.000 0.443 556 L N -1.045 120.169 121.223 -0.015 0.000 2.093 556 L HA -0.228 4.112 4.340 0.000 0.000 0.208 556 L C 2.866 179.723 176.870 -0.023 0.000 1.085 556 L CA 1.421 56.251 54.840 -0.017 0.000 0.755 556 L CB -0.576 41.469 42.059 -0.023 0.000 0.904 556 L HN 0.505 nan 8.230 nan 0.000 0.435 557 Q N -0.350 119.434 119.800 -0.026 0.000 2.119 557 Q HA -0.256 4.084 4.340 0.000 0.000 0.201 557 Q C 2.064 178.047 176.000 -0.028 0.000 0.972 557 Q CA 1.558 57.342 55.803 -0.033 0.000 0.847 557 Q CB -0.021 28.696 28.738 -0.035 0.000 0.903 557 Q HN 0.318 nan 8.270 nan 0.000 0.433 558 E N 0.789 120.978 120.200 -0.019 0.000 2.106 558 E HA -0.140 4.210 4.350 0.000 0.000 0.192 558 E C 1.736 178.330 176.600 -0.011 0.000 0.984 558 E CA 1.333 57.724 56.400 -0.014 0.000 0.806 558 E CB -0.181 29.514 29.700 -0.007 0.000 0.750 558 E HN 0.327 nan 8.360 nan 0.000 0.458 559 A N 0.359 123.175 122.820 -0.007 0.000 1.898 559 A HA -0.212 4.108 4.320 0.000 0.000 0.216 559 A C 2.163 179.740 177.584 -0.012 0.000 1.181 559 A CA 1.661 53.697 52.037 -0.002 0.000 0.620 559 A CB -0.574 18.430 19.000 0.007 0.000 0.819 559 A HN 0.355 nan 8.150 nan 0.000 0.442 560 Q N -0.656 119.131 119.800 -0.022 0.000 2.124 560 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 560 Q C 2.190 178.170 176.000 -0.033 0.000 0.977 560 Q CA 1.695 57.479 55.803 -0.031 0.000 0.850 560 Q CB -0.160 28.552 28.738 -0.043 0.000 0.901 560 Q HN 0.735 nan 8.270 nan 0.000 0.429 561 K N 0.153 120.534 120.400 -0.032 0.000 2.025 561 K HA -0.121 4.199 4.320 0.000 0.000 0.207 561 K C 1.955 178.540 176.600 -0.025 0.000 1.049 561 K CA 1.658 57.925 56.287 -0.032 0.000 0.933 561 K CB 0.015 32.496 32.500 -0.031 0.000 0.714 561 K HN 0.075 nan 8.250 nan 0.000 0.438 562 T N 2.097 116.640 114.554 -0.018 0.000 2.788 562 T HA -0.125 4.225 4.350 0.000 0.000 0.268 562 T C 1.794 176.486 174.700 -0.014 0.000 1.044 562 T CA 1.096 63.188 62.100 -0.013 0.000 1.139 562 T CB -0.110 68.754 68.868 -0.007 0.000 0.867 562 T HN 0.173 nan 8.240 nan 0.000 0.454 563 L N 0.635 121.849 121.223 -0.015 0.000 2.046 563 L HA -0.129 4.211 4.340 0.000 0.000 0.208 563 L C 2.905 179.764 176.870 -0.019 0.000 1.077 563 L CA 1.412 56.243 54.840 -0.015 0.000 0.747 563 L CB -0.398 41.651 42.059 -0.015 0.000 0.896 563 L HN 0.327 nan 8.230 nan 0.000 0.432 564 Q N -0.709 119.077 119.800 -0.023 0.000 2.226 564 Q HA -0.274 4.066 4.340 0.000 0.000 0.204 564 Q C 2.205 178.192 176.000 -0.022 0.000 0.975 564 Q CA 1.973 57.761 55.803 -0.025 0.000 0.866 564 Q CB 0.105 28.823 28.738 -0.032 0.000 0.915 564 Q HN 0.653 nan 8.270 nan 0.000 0.440 565 Q N -0.368 119.419 119.800 -0.020 0.000 2.137 565 Q HA 0.066 4.406 4.340 0.000 0.000 0.198 565 Q C 1.981 177.971 176.000 -0.016 0.000 0.960 565 Q CA 1.223 57.015 55.803 -0.018 0.000 0.847 565 Q CB -0.702 28.026 28.738 -0.017 0.000 0.915 565 Q HN 0.594 nan 8.270 nan 0.000 0.448 566 A N 0.772 123.583 122.820 -0.015 0.000 1.969 566 A HA -0.217 4.103 4.320 0.000 0.000 0.218 566 A C 2.202 179.778 177.584 -0.015 0.000 1.169 566 A CA 1.566 53.594 52.037 -0.014 0.000 0.635 566 A CB -0.279 18.713 19.000 -0.013 0.000 0.810 566 A HN 0.714 nan 8.150 nan 0.000 0.445 567 Q N -0.984 118.806 119.800 -0.016 0.000 2.167 567 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 567 Q C 2.279 178.270 176.000 -0.016 0.000 0.970 567 Q CA 1.639 57.432 55.803 -0.017 0.000 0.855 567 Q CB -0.346 28.381 28.738 -0.018 0.000 0.911 567 Q HN 0.865 nan 8.270 nan 0.000 0.438 568 E N 1.470 121.661 120.200 -0.015 0.000 2.046 568 E HA -0.091 4.259 4.350 0.000 0.000 0.190 568 E C 1.807 178.399 176.600 -0.013 0.000 0.982 568 E CA 0.925 57.316 56.400 -0.014 0.000 0.800 568 E CB -0.861 28.830 29.700 -0.015 0.000 0.756 568 E HN 0.336 nan 8.360 nan 0.000 0.449 569 L N -0.171 121.044 121.223 -0.013 0.000 2.265 569 L HA 0.001 4.341 4.340 0.000 0.000 0.215 569 L C 2.898 179.760 176.870 -0.012 0.000 1.117 569 L CA 0.893 55.726 54.840 -0.012 0.000 0.782 569 L CB -0.196 41.856 42.059 -0.012 0.000 0.914 569 L HN 0.445 nan 8.230 nan 0.000 0.441 570 A N -0.281 122.532 122.820 -0.013 0.000 2.123 570 A HA -0.071 4.249 4.320 0.000 0.000 0.214 570 A C 2.266 179.842 177.584 -0.014 0.000 1.152 570 A CA 0.589 52.618 52.037 -0.013 0.000 0.728 570 A CB -0.073 18.918 19.000 -0.014 0.000 0.814 570 A HN 0.267 nan 8.150 nan 0.000 0.464 571 K N -0.209 120.183 120.400 -0.014 0.000 2.025 571 K HA 0.047 4.367 4.320 0.000 0.000 0.207 571 K C 1.040 177.633 176.600 -0.013 0.000 1.049 571 K CA 1.670 57.949 56.287 -0.014 0.000 0.933 571 K CB -0.197 32.295 32.500 -0.013 0.000 0.714 571 K HN 0.440 nan 8.250 nan 0.000 0.438 572 K N 0.312 120.705 120.400 -0.012 0.000 2.499 572 K HA 0.552 4.872 4.320 0.000 0.000 0.277 572 K C -0.199 176.395 176.600 -0.010 0.000 1.025 572 K CA -0.315 55.966 56.287 -0.010 0.000 0.900 572 K CB 0.676 33.170 32.500 -0.010 0.000 1.494 572 K HN 0.363 nan 8.250 nan 0.000 0.442 573 G N -1.571 107.224 108.800 -0.009 0.000 2.758 573 G HA2 0.380 4.340 3.960 0.000 0.000 0.686 573 G HA3 0.380 4.340 3.960 0.000 0.000 0.686 573 G C 0.649 175.543 174.900 -0.009 0.000 1.389 573 G CA 0.436 45.531 45.100 -0.009 0.000 0.845 573 G HN 1.934 nan 8.290 nan 0.000 0.572 574 G N -0.451 108.344 108.800 -0.008 0.000 4.222 574 G HA2 0.607 4.567 3.960 0.000 0.000 0.301 574 G HA3 0.607 4.567 3.960 0.000 0.000 0.301 574 G C 0.840 175.735 174.900 -0.009 0.000 1.171 574 G CA 0.928 46.023 45.100 -0.008 0.000 0.937 574 G HN 1.688 nan 8.290 nan 0.000 0.557 575 G N 0.189 108.983 108.800 -0.009 0.000 3.197 575 G HA2 0.395 4.355 3.960 0.000 0.000 0.257 575 G HA3 0.395 4.355 3.960 0.000 0.000 0.257 575 G C 0.847 175.741 174.900 -0.010 0.000 0.835 575 G CA 0.677 45.772 45.100 -0.009 0.000 2.001 575 G HN 0.495 nan 8.290 nan 0.000 0.625 576 E N 0.001 120.195 120.200 -0.010 0.000 2.118 576 E HA -0.142 4.208 4.350 0.000 0.000 0.195 576 E C 2.172 178.766 176.600 -0.011 0.000 0.992 576 E CA 1.945 58.339 56.400 -0.010 0.000 0.804 576 E CB -0.752 28.942 29.700 -0.010 0.000 0.741 576 E HN 0.718 nan 8.360 nan 0.000 0.458 577 E N -0.470 119.723 120.200 -0.010 0.000 2.072 577 E HA -0.089 4.261 4.350 0.000 0.000 0.191 577 E C 2.403 178.996 176.600 -0.011 0.000 0.985 577 E CA 2.239 58.633 56.400 -0.011 0.000 0.801 577 E CB -1.294 28.400 29.700 -0.010 0.000 0.750 577 E HN 0.844 nan 8.360 nan 0.000 0.452 578 Q N 0.042 119.836 119.800 -0.010 0.000 2.083 578 Q HA 0.235 4.575 4.340 0.000 0.000 0.198 578 Q C 2.421 178.415 176.000 -0.011 0.000 0.969 578 Q CA 1.326 57.122 55.803 -0.010 0.000 0.838 578 Q CB -0.703 28.029 28.738 -0.010 0.000 0.900 578 Q HN 0.647 nan 8.270 nan 0.000 0.436 579 L N 0.083 121.299 121.223 -0.011 0.000 2.083 579 L HA -0.183 4.157 4.340 0.000 0.000 0.209 579 L C 3.101 179.964 176.870 -0.012 0.000 1.083 579 L CA 2.133 56.966 54.840 -0.012 0.000 0.752 579 L CB -0.511 41.541 42.059 -0.012 0.000 0.899 579 L HN 0.548 nan 8.230 nan 0.000 0.433 580 K N 0.063 120.456 120.400 -0.013 0.000 2.057 580 K HA -0.198 4.122 4.320 0.000 0.000 0.207 580 K C 2.033 178.625 176.600 -0.014 0.000 1.049 580 K CA 1.674 57.953 56.287 -0.014 0.000 0.931 580 K CB -0.769 31.723 32.500 -0.015 0.000 0.714 580 K HN 0.430 nan 8.250 nan 0.000 0.440 581 R N -0.498 119.994 120.500 -0.012 0.000 2.075 581 R HA 0.047 4.387 4.340 0.000 0.000 0.232 581 R C 2.841 179.135 176.300 -0.010 0.000 1.126 581 R CA 1.108 57.201 56.100 -0.011 0.000 0.963 581 R CB -0.456 29.838 30.300 -0.010 0.000 0.858 581 R HN 0.487 nan 8.270 nan 0.000 0.435 582 A N 1.342 124.156 122.820 -0.010 0.000 1.908 582 A HA -0.137 4.183 4.320 0.000 0.000 0.218 582 A C 2.175 179.754 177.584 -0.008 0.000 1.181 582 A CA 1.216 53.248 52.037 -0.009 0.000 0.627 582 A CB -0.535 18.459 19.000 -0.010 0.000 0.818 582 A HN 0.178 nan 8.150 nan 0.000 0.445 583 L N -0.980 120.238 121.223 -0.009 0.000 2.093 583 L HA -0.163 4.177 4.340 0.000 0.000 0.208 583 L C 2.574 179.440 176.870 -0.007 0.000 1.085 583 L CA 1.722 56.557 54.840 -0.008 0.000 0.755 583 L CB -0.380 41.672 42.059 -0.011 0.000 0.904 583 L HN 0.413 nan 8.230 nan 0.000 0.435 584 K N 0.804 121.198 120.400 -0.011 0.000 2.025 584 K HA -0.143 4.177 4.320 0.000 0.000 0.207 584 K C 2.171 178.769 176.600 -0.003 0.000 1.049 584 K CA 1.395 57.674 56.287 -0.014 0.000 0.933 584 K CB -0.066 32.423 32.500 -0.018 0.000 0.714 584 K HN 0.096 nan 8.250 nan 0.000 0.438 585 R N -0.031 120.469 120.500 0.000 0.000 2.081 585 R HA -0.054 4.286 4.340 0.000 0.000 0.235 585 R C 2.413 178.722 176.300 0.015 0.000 1.131 585 R CA 1.295 57.399 56.100 0.007 0.000 0.960 585 R CB -0.609 29.692 30.300 0.003 0.000 0.856 585 R HN 0.306 nan 8.270 nan 0.000 0.436 586 A N 1.338 124.164 122.820 0.010 0.000 1.902 586 A HA -0.242 4.078 4.320 0.000 0.000 0.217 586 A C 1.781 179.384 177.584 0.032 0.000 1.181 586 A CA 1.947 53.993 52.037 0.015 0.000 0.623 586 A CB -0.543 18.461 19.000 0.006 0.000 0.818 586 A HN 0.289 nan 8.150 nan 0.000 0.443 587 D N -0.882 119.536 120.400 0.030 0.000 2.117 587 D HA -0.130 4.510 4.640 0.000 0.000 0.197 587 D C 2.243 178.599 176.300 0.093 0.000 0.987 587 D CA 1.269 55.297 54.000 0.047 0.000 0.829 587 D CB -0.072 40.733 40.800 0.008 0.000 0.961 587 D HN 0.416 nan 8.370 nan 0.000 0.460 588 R N -0.000 120.543 120.500 0.072 0.000 2.081 588 R HA -0.071 4.269 4.340 0.000 0.000 0.235 588 R C 2.048 178.434 176.300 0.144 0.000 1.131 588 R CA 1.103 57.272 56.100 0.114 0.000 0.960 588 R CB -0.379 29.962 30.300 0.068 0.000 0.856 588 R HN 0.304 nan 8.270 nan 0.000 0.436 589 N N 0.937 119.690 118.700 0.089 0.000 2.188 589 N HA -0.141 4.599 4.740 0.000 0.000 0.184 589 N C 1.801 177.355 175.510 0.074 0.000 1.018 589 N CA 0.820 53.909 53.050 0.066 0.000 0.858 589 N CB -0.096 38.412 38.487 0.035 0.000 0.989 589 N HN 0.089 nan 8.380 nan 0.000 0.426 590 L N 0.723 122.004 121.223 0.096 0.000 2.056 590 L HA -0.056 4.284 4.340 0.000 0.000 0.207 590 L C 2.083 179.044 176.870 0.153 0.000 1.078 590 L CA 1.428 56.328 54.840 0.100 0.000 0.749 590 L CB -0.805 41.316 42.059 0.103 0.000 0.901 590 L HN 0.316 nan 8.230 nan 0.000 0.433 591 W N 0.128 121.425 121.300 -0.004 0.000 2.363 591 W HA -0.217 4.443 4.660 -0.000 0.000 0.296 591 W C 2.113 178.632 176.519 -0.001 0.000 1.212 591 W CA 1.442 58.785 57.345 -0.002 0.000 1.260 591 W CB -0.004 29.455 29.460 -0.002 0.000 1.131 591 W HN 0.366 nan 8.180 nan 0.000 0.530 592 A N 0.752 123.589 122.820 0.028 0.000 1.933 592 A HA -0.071 4.249 4.320 0.000 0.000 0.218 592 A C 2.080 179.591 177.584 -0.122 0.000 1.175 592 A CA 2.199 54.191 52.037 -0.074 0.000 0.628 592 A CB -1.158 17.846 19.000 0.008 0.000 0.814 592 A HN 0.287 nan 8.150 nan 0.000 0.444 593 A N -0.664 122.109 122.820 -0.078 0.000 1.930 593 A HA -0.169 4.151 4.320 0.000 0.000 0.217 593 A C 2.097 179.604 177.584 -0.128 0.000 1.175 593 A CA 1.490 53.481 52.037 -0.077 0.000 0.627 593 A CB -0.507 18.472 19.000 -0.035 0.000 0.815 593 A HN 0.638 nan 8.150 nan 0.000 0.443 594 Q N -0.558 119.128 119.800 -0.189 0.000 2.170 594 Q HA -0.190 4.150 4.340 0.000 0.000 0.203 594 Q C 1.917 177.711 176.000 -0.343 0.000 0.976 594 Q CA 1.530 57.179 55.803 -0.257 0.000 0.858 594 Q CB -0.148 28.391 28.738 -0.333 0.000 0.907 594 Q HN 0.768 nan 8.270 nan 0.000 0.433 595 E N 0.562 120.497 120.200 -0.442 0.000 2.047 595 E HA -0.145 4.205 4.350 0.000 0.000 0.191 595 E C 1.963 178.443 176.600 -0.201 0.000 0.987 595 E CA 0.771 56.949 56.400 -0.370 0.000 0.799 595 E CB 0.023 29.500 29.700 -0.370 0.000 0.752 595 E HN 0.282 nan 8.360 nan 0.000 0.449 596 L N 0.222 121.352 121.223 -0.155 0.000 2.141 596 L HA -0.126 4.214 4.340 0.000 0.000 0.209 596 L C 2.404 179.227 176.870 -0.079 0.000 1.094 596 L CA 0.862 55.645 54.840 -0.095 0.000 0.763 596 L CB -0.237 41.779 42.059 -0.071 0.000 0.908 596 L HN 0.144 nan 8.230 nan 0.000 0.437 597 A N -0.253 122.513 122.820 -0.090 0.000 1.930 597 A HA -0.169 4.151 4.320 0.000 0.000 0.215 597 A C 2.362 179.907 177.584 -0.064 0.000 1.176 597 A CA 1.230 53.229 52.037 -0.063 0.000 0.632 597 A CB -0.278 18.688 19.000 -0.057 0.000 0.819 597 A HN 0.275 nan 8.150 nan 0.000 0.445 598 K N 0.107 120.449 120.400 -0.097 0.000 2.032 598 K HA -0.220 4.100 4.320 0.000 0.000 0.209 598 K C 2.223 178.788 176.600 -0.059 0.000 1.048 598 K CA 2.111 58.346 56.287 -0.086 0.000 0.927 598 K CB -0.294 32.127 32.500 -0.130 0.000 0.712 598 K HN 0.351 nan 8.250 nan 0.000 0.441 599 K N 0.439 120.802 120.400 -0.062 0.000 2.365 599 K HA 0.010 4.330 4.320 0.000 0.000 0.199 599 K C 2.046 178.629 176.600 -0.028 0.000 1.045 599 K CA 1.321 57.583 56.287 -0.042 0.000 0.962 599 K CB -1.174 31.300 32.500 -0.043 0.000 0.759 599 K HN 0.536 nan 8.250 nan 0.000 0.469 600 G N 0.261 109.043 108.800 -0.030 0.000 2.450 600 G HA2 0.260 4.220 3.960 0.000 0.000 0.220 600 G HA3 0.260 4.220 3.960 0.000 0.000 0.220 600 G C 1.263 176.159 174.900 -0.007 0.000 1.130 600 G CA 1.043 46.133 45.100 -0.016 0.000 0.760 600 G HN 1.549 nan 8.290 nan 0.000 0.557 601 G N -1.680 107.115 108.800 -0.009 0.000 2.627 601 G HA2 0.371 4.331 3.960 0.000 0.000 0.214 601 G HA3 0.371 4.331 3.960 0.000 0.000 0.214 601 G C 0.483 175.386 174.900 0.006 0.000 1.331 601 G CA -0.216 44.883 45.100 -0.001 0.000 0.891 601 G HN 1.269 nan 8.290 nan 0.000 0.539 602 G N -1.374 107.432 108.800 0.010 0.000 2.664 602 G HA2 0.582 4.542 3.960 0.000 0.000 0.242 602 G HA3 0.582 4.542 3.960 0.000 0.000 0.242 602 G C 1.622 176.535 174.900 0.022 0.000 1.225 602 G CA 1.788 46.897 45.100 0.016 0.000 0.849 602 G HN 2.650 nan 8.290 nan 0.000 0.581 603 G N -0.377 108.440 108.800 0.028 0.000 2.234 603 G HA2 -0.224 3.736 3.960 0.000 0.000 0.235 603 G HA3 -0.224 3.736 3.960 0.000 0.000 0.235 603 G C 0.576 175.502 174.900 0.042 0.000 0.997 603 G CA 0.526 45.648 45.100 0.037 0.000 0.623 603 G HN 0.701 nan 8.290 nan 0.000 0.514 604 E N 0.176 120.396 120.200 0.034 0.000 2.736 604 E HA 0.250 4.600 4.350 0.000 0.000 0.208 604 E C 1.220 177.842 176.600 0.037 0.000 0.996 604 E CA 0.125 56.547 56.400 0.038 0.000 1.104 604 E CB 0.696 30.411 29.700 0.025 0.000 1.111 604 E HN 0.609 nan 8.360 nan 0.000 0.455 605 E N 0.757 120.980 120.200 0.038 0.000 2.106 605 E HA -0.184 4.166 4.350 0.000 0.000 0.192 605 E C 1.809 178.441 176.600 0.053 0.000 0.984 605 E CA 0.694 57.116 56.400 0.037 0.000 0.806 605 E CB 0.217 29.934 29.700 0.030 0.000 0.750 605 E HN 0.209 nan 8.360 nan 0.000 0.458 606 L N 0.845 122.112 121.223 0.073 0.000 2.093 606 L HA -0.088 4.252 4.340 0.000 0.000 0.208 606 L C 2.232 179.187 176.870 0.142 0.000 1.085 606 L CA 1.248 56.158 54.840 0.117 0.000 0.755 606 L CB -0.633 41.513 42.059 0.146 0.000 0.904 606 L HN 0.328 nan 8.230 nan 0.000 0.435 607 L N -0.488 120.795 121.223 0.100 0.000 2.046 607 L HA -0.208 4.132 4.340 0.000 0.000 0.208 607 L C 2.369 179.267 176.870 0.047 0.000 1.077 607 L CA 1.836 56.715 54.840 0.065 0.000 0.747 607 L CB -0.738 41.346 42.059 0.040 0.000 0.896 607 L HN 0.212 nan 8.230 nan 0.000 0.432 608 K N -0.779 119.645 120.400 0.039 0.000 2.097 608 K HA -0.171 4.149 4.320 0.000 0.000 0.206 608 K C 2.123 178.749 176.600 0.043 0.000 1.049 608 K CA 1.823 58.125 56.287 0.024 0.000 0.933 608 K CB -0.239 32.269 32.500 0.013 0.000 0.717 608 K HN 0.533 nan 8.250 nan 0.000 0.442 609 Q N 0.188 120.025 119.800 0.062 0.000 2.119 609 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 609 Q C 2.211 178.263 176.000 0.087 0.000 0.972 609 Q CA 1.250 57.096 55.803 0.073 0.000 0.847 609 Q CB -0.133 28.651 28.738 0.077 0.000 0.903 609 Q HN 0.338 nan 8.270 nan 0.000 0.433 610 A N 1.071 123.952 122.820 0.102 0.000 1.877 610 A HA -0.159 4.161 4.320 0.000 0.000 0.216 610 A C 2.067 179.680 177.584 0.047 0.000 1.186 610 A CA 1.100 53.187 52.037 0.083 0.000 0.620 610 A CB -0.693 18.333 19.000 0.043 0.000 0.822 610 A HN 0.282 nan 8.150 nan 0.000 0.443 611 L N -0.923 120.323 121.223 0.038 0.000 2.083 611 L HA -0.234 4.106 4.340 0.000 0.000 0.209 611 L C 2.889 179.796 176.870 0.061 0.000 1.083 611 L CA 1.777 56.639 54.840 0.036 0.000 0.752 611 L CB -0.544 41.528 42.059 0.020 0.000 0.899 611 L HN 0.605 nan 8.230 nan 0.000 0.433 612 Q N 0.011 119.852 119.800 0.067 0.000 2.079 612 Q HA -0.233 4.107 4.340 0.000 0.000 0.200 612 Q C 2.226 178.269 176.000 0.071 0.000 0.974 612 Q CA 1.464 57.317 55.803 0.083 0.000 0.840 612 Q CB 0.078 28.861 28.738 0.076 0.000 0.898 612 Q HN 0.548 nan 8.270 nan 0.000 0.430 613 Q N -0.318 119.519 119.800 0.062 0.000 2.084 613 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 613 Q C 2.089 178.116 176.000 0.045 0.000 0.978 613 Q CA 1.245 57.081 55.803 0.054 0.000 0.844 613 Q CB -0.167 28.608 28.738 0.062 0.000 0.898 613 Q HN 0.452 nan 8.270 nan 0.000 0.426 614 A N 0.945 123.790 122.820 0.042 0.000 1.902 614 A HA -0.232 4.088 4.320 0.000 0.000 0.217 614 A C 2.100 179.708 177.584 0.039 0.000 1.181 614 A CA 1.225 53.281 52.037 0.032 0.000 0.623 614 A CB -0.417 18.598 19.000 0.025 0.000 0.818 614 A HN 0.234 nan 8.150 nan 0.000 0.443 615 Q N -0.340 119.496 119.800 0.060 0.000 2.096 615 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 615 Q C 2.256 178.281 176.000 0.041 0.000 0.982 615 Q CA 1.988 57.832 55.803 0.068 0.000 0.850 615 Q CB -0.401 28.406 28.738 0.115 0.000 0.901 615 Q HN 0.837 nan 8.270 nan 0.000 0.422 616 Q N 0.006 119.830 119.800 0.040 0.000 2.061 616 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 616 Q C 2.332 178.342 176.000 0.016 0.000 0.984 616 Q CA 1.109 56.927 55.803 0.025 0.000 0.846 616 Q CB -0.171 28.584 28.738 0.028 0.000 0.902 616 Q HN 0.324 nan 8.270 nan 0.000 0.421 617 L N 0.299 121.532 121.223 0.017 0.000 2.046 617 L HA -0.213 4.127 4.340 0.000 0.000 0.208 617 L C 2.312 179.185 176.870 0.005 0.000 1.077 617 L CA 0.927 55.773 54.840 0.010 0.000 0.747 617 L CB -0.371 41.694 42.059 0.010 0.000 0.896 617 L HN 0.268 nan 8.230 nan 0.000 0.432 618 L N -0.773 120.455 121.223 0.008 0.000 2.093 618 L HA -0.191 4.149 4.340 0.000 0.000 0.208 618 L C 2.823 179.690 176.870 -0.005 0.000 1.085 618 L CA 1.211 56.053 54.840 0.003 0.000 0.755 618 L CB -0.410 41.655 42.059 0.009 0.000 0.904 618 L HN 0.233 nan 8.230 nan 0.000 0.435 619 R N -0.425 120.072 120.500 -0.005 0.000 2.092 619 R HA -0.154 4.186 4.340 0.000 0.000 0.231 619 R C 2.291 178.584 176.300 -0.012 0.000 1.119 619 R CA 1.170 57.261 56.100 -0.015 0.000 0.970 619 R CB -0.200 30.089 30.300 -0.017 0.000 0.864 619 R HN 0.479 nan 8.270 nan 0.000 0.440 620 Q N -0.004 119.792 119.800 -0.006 0.000 2.119 620 Q HA -0.081 4.259 4.340 0.000 0.000 0.201 620 Q C 2.176 178.172 176.000 -0.008 0.000 0.972 620 Q CA 1.440 57.239 55.803 -0.006 0.000 0.847 620 Q CB -0.086 28.651 28.738 -0.002 0.000 0.903 620 Q HN 0.344 nan 8.270 nan 0.000 0.433 621 A N 1.042 123.858 122.820 -0.008 0.000 1.933 621 A HA -0.240 4.080 4.320 0.000 0.000 0.218 621 A C 1.969 179.546 177.584 -0.011 0.000 1.175 621 A CA 1.336 53.368 52.037 -0.009 0.000 0.628 621 A CB -0.389 18.606 19.000 -0.009 0.000 0.814 621 A HN 0.334 nan 8.150 nan 0.000 0.444 622 Q N -0.494 119.299 119.800 -0.013 0.000 2.084 622 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 622 Q C 1.990 177.980 176.000 -0.015 0.000 0.978 622 Q CA 1.661 57.454 55.803 -0.016 0.000 0.844 622 Q CB -0.205 28.521 28.738 -0.020 0.000 0.898 622 Q HN 0.775 nan 8.270 nan 0.000 0.426 623 E N 0.630 120.821 120.200 -0.015 0.000 2.051 623 E HA -0.179 4.171 4.350 0.000 0.000 0.192 623 E C 2.096 178.689 176.600 -0.012 0.000 0.991 623 E CA 0.870 57.262 56.400 -0.013 0.000 0.799 623 E CB -0.112 29.580 29.700 -0.012 0.000 0.748 623 E HN 0.300 nan 8.360 nan 0.000 0.449 624 L N 0.633 121.850 121.223 -0.011 0.000 2.042 624 L HA -0.206 4.134 4.340 0.000 0.000 0.210 624 L C 2.597 179.460 176.870 -0.010 0.000 1.076 624 L CA 1.092 55.926 54.840 -0.010 0.000 0.749 624 L CB -0.470 41.583 42.059 -0.009 0.000 0.893 624 L HN 0.157 nan 8.230 nan 0.000 0.432 625 A N 0.284 123.097 122.820 -0.011 0.000 1.972 625 A HA -0.218 4.102 4.320 0.000 0.000 0.219 625 A C 2.575 180.152 177.584 -0.011 0.000 1.169 625 A CA 2.184 54.214 52.037 -0.012 0.000 0.635 625 A CB -0.620 18.373 19.000 -0.012 0.000 0.810 625 A HN 0.380 nan 8.150 nan 0.000 0.446 626 K N 0.266 120.659 120.400 -0.012 0.000 2.228 626 K HA 0.028 4.348 4.320 0.000 0.000 0.202 626 K C 1.899 178.493 176.600 -0.011 0.000 1.051 626 K CA 1.539 57.818 56.287 -0.012 0.000 0.960 626 K CB -0.448 32.044 32.500 -0.014 0.000 0.743 626 K HN 0.655 nan 8.250 nan 0.000 0.458 627 K N -1.820 118.574 120.400 -0.010 0.000 2.284 627 K HA 0.163 4.483 4.320 0.000 0.000 0.198 627 K C 1.402 177.997 176.600 -0.008 0.000 1.048 627 K CA 0.497 56.779 56.287 -0.009 0.000 0.987 627 K CB 0.483 32.978 32.500 -0.008 0.000 0.800 627 K HN 0.466 nan 8.250 nan 0.000 0.486 628 G N 1.197 109.992 108.800 -0.009 0.000 2.175 628 G HA2 -0.280 3.680 3.960 0.000 0.000 0.265 628 G HA3 -0.280 3.680 3.960 0.000 0.000 0.265 628 G C 0.615 175.510 174.900 -0.008 0.000 0.979 628 G CA 0.442 45.537 45.100 -0.008 0.000 0.663 628 G HN 0.483 nan 8.290 nan 0.000 0.533 629 G N -0.500 108.296 108.800 -0.007 0.000 3.502 629 G HA2 0.560 4.520 3.960 0.000 0.000 0.267 629 G HA3 0.560 4.520 3.960 0.000 0.000 0.267 629 G C 0.617 175.513 174.900 -0.007 0.000 1.090 629 G CA 0.582 45.678 45.100 -0.007 0.000 0.795 629 G HN 1.421 nan 8.290 nan 0.000 0.535 630 G N 0.003 108.798 108.800 -0.008 0.000 4.412 630 G HA2 0.347 4.307 3.960 0.000 0.000 0.262 630 G HA3 0.347 4.307 3.960 0.000 0.000 0.262 630 G C 0.393 175.287 174.900 -0.010 0.000 1.142 630 G CA -0.305 44.790 45.100 -0.008 0.000 0.783 630 G HN 0.268 nan 8.290 nan 0.000 0.533 631 E N 0.261 120.455 120.200 -0.010 0.000 2.058 631 E HA -0.159 4.191 4.350 0.000 0.000 0.194 631 E C 1.796 178.388 176.600 -0.013 0.000 0.997 631 E CA 1.115 57.508 56.400 -0.011 0.000 0.801 631 E CB 0.263 29.956 29.700 -0.011 0.000 0.746 631 E HN 0.332 nan 8.360 nan 0.000 0.450 632 E N 0.729 120.921 120.200 -0.013 0.000 2.072 632 E HA -0.134 4.216 4.350 0.000 0.000 0.191 632 E C 2.298 178.889 176.600 -0.015 0.000 0.985 632 E CA 0.685 57.076 56.400 -0.015 0.000 0.801 632 E CB -0.226 29.465 29.700 -0.015 0.000 0.750 632 E HN 0.331 nan 8.360 nan 0.000 0.452 633 L N 0.488 121.704 121.223 -0.012 0.000 2.131 633 L HA -0.165 4.175 4.340 0.000 0.000 0.210 633 L C 2.505 179.368 176.870 -0.012 0.000 1.092 633 L CA 0.424 55.257 54.840 -0.011 0.000 0.759 633 L CB -0.471 41.583 42.059 -0.009 0.000 0.903 633 L HN 0.141 nan 8.230 nan 0.000 0.435 634 L N 0.329 121.544 121.223 -0.012 0.000 1.994 634 L HA -0.203 4.137 4.340 0.000 0.000 0.208 634 L C 2.497 179.358 176.870 -0.015 0.000 1.071 634 L CA 1.856 56.689 54.840 -0.013 0.000 0.745 634 L CB -0.561 41.490 42.059 -0.012 0.000 0.892 634 L HN 0.084 nan 8.230 nan 0.000 0.431 635 K N -0.711 119.679 120.400 -0.017 0.000 2.063 635 K HA -0.269 4.051 4.320 0.000 0.000 0.208 635 K C 2.156 178.742 176.600 -0.023 0.000 1.048 635 K CA 1.943 58.217 56.287 -0.021 0.000 0.928 635 K CB -0.383 32.103 32.500 -0.023 0.000 0.713 635 K HN 0.543 nan 8.250 nan 0.000 0.442 636 Q N 0.740 120.526 119.800 -0.022 0.000 2.084 636 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 636 Q C 2.092 178.081 176.000 -0.018 0.000 0.978 636 Q CA 1.639 57.429 55.803 -0.022 0.000 0.844 636 Q CB -0.136 28.591 28.738 -0.019 0.000 0.898 636 Q HN 0.363 nan 8.270 nan 0.000 0.426 637 A N 0.731 123.543 122.820 -0.014 0.000 1.933 637 A HA -0.128 4.192 4.320 0.000 0.000 0.218 637 A C 2.044 179.621 177.584 -0.011 0.000 1.175 637 A CA 1.106 53.137 52.037 -0.010 0.000 0.628 637 A CB -0.598 18.397 19.000 -0.008 0.000 0.814 637 A HN 0.458 nan 8.150 nan 0.000 0.444 638 L N -1.262 119.952 121.223 -0.015 0.000 2.093 638 L HA -0.191 4.149 4.340 0.000 0.000 0.208 638 L C 2.822 179.680 176.870 -0.021 0.000 1.085 638 L CA 1.606 56.437 54.840 -0.016 0.000 0.755 638 L CB -0.438 41.611 42.059 -0.017 0.000 0.904 638 L HN 0.451 nan 8.230 nan 0.000 0.435 639 Q N 0.282 120.067 119.800 -0.025 0.000 2.119 639 Q HA -0.200 4.140 4.340 0.000 0.000 0.201 639 Q C 2.178 178.160 176.000 -0.031 0.000 0.972 639 Q CA 1.565 57.349 55.803 -0.032 0.000 0.847 639 Q CB -0.023 28.690 28.738 -0.041 0.000 0.903 639 Q HN 0.434 nan 8.270 nan 0.000 0.433 640 Q N -0.862 118.925 119.800 -0.023 0.000 2.167 640 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 640 Q C 1.954 177.945 176.000 -0.015 0.000 0.970 640 Q CA 1.175 56.968 55.803 -0.017 0.000 0.855 640 Q CB -0.169 28.565 28.738 -0.007 0.000 0.911 640 Q HN 0.485 nan 8.270 nan 0.000 0.438 641 A N 0.834 123.646 122.820 -0.013 0.000 1.873 641 A HA -0.201 4.119 4.320 0.000 0.000 0.215 641 A C 2.070 179.641 177.584 -0.021 0.000 1.186 641 A CA 1.049 53.080 52.037 -0.010 0.000 0.616 641 A CB -0.344 18.652 19.000 -0.006 0.000 0.823 641 A HN 0.215 nan 8.150 nan 0.000 0.442 642 Q N -0.216 119.568 119.800 -0.027 0.000 2.096 642 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 642 Q C 2.219 178.190 176.000 -0.048 0.000 0.982 642 Q CA 1.971 57.752 55.803 -0.036 0.000 0.850 642 Q CB -0.446 28.270 28.738 -0.037 0.000 0.901 642 Q HN 0.821 nan 8.270 nan 0.000 0.422 643 Q N 0.066 119.837 119.800 -0.048 0.000 2.096 643 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 643 Q C 2.288 178.241 176.000 -0.079 0.000 0.982 643 Q CA 1.010 56.776 55.803 -0.062 0.000 0.850 643 Q CB -0.120 28.587 28.738 -0.052 0.000 0.901 643 Q HN 0.327 nan 8.270 nan 0.000 0.422 644 L N 0.175 121.361 121.223 -0.061 0.000 2.141 644 L HA -0.166 4.174 4.340 0.000 0.000 0.209 644 L C 2.203 179.025 176.870 -0.080 0.000 1.094 644 L CA 0.706 55.502 54.840 -0.073 0.000 0.763 644 L CB -0.242 41.802 42.059 -0.025 0.000 0.908 644 L HN 0.263 nan 8.230 nan 0.000 0.437 645 L N -0.803 120.386 121.223 -0.057 0.000 2.093 645 L HA -0.208 4.132 4.340 0.000 0.000 0.208 645 L C 2.623 179.453 176.870 -0.068 0.000 1.085 645 L CA 0.891 55.701 54.840 -0.050 0.000 0.755 645 L CB -0.410 41.628 42.059 -0.035 0.000 0.904 645 L HN 0.286 nan 8.230 nan 0.000 0.435 646 Q N 0.360 120.113 119.800 -0.078 0.000 2.119 646 Q HA -0.256 4.084 4.340 0.000 0.000 0.201 646 Q C 2.105 178.042 176.000 -0.105 0.000 0.972 646 Q CA 1.685 57.438 55.803 -0.083 0.000 0.847 646 Q CB -0.124 28.564 28.738 -0.083 0.000 0.903 646 Q HN 0.313 nan 8.270 nan 0.000 0.433 647 Q N -0.412 119.294 119.800 -0.158 0.000 2.119 647 Q HA -0.004 4.336 4.340 0.000 0.000 0.201 647 Q C 1.789 177.669 176.000 -0.202 0.000 0.972 647 Q CA 1.852 57.505 55.803 -0.249 0.000 0.847 647 Q CB -0.630 27.820 28.738 -0.479 0.000 0.903 647 Q HN 0.435 nan 8.270 nan 0.000 0.433 648 A N 0.137 122.870 122.820 -0.145 0.000 1.933 648 A HA -0.211 4.109 4.320 0.000 0.000 0.218 648 A C 2.037 179.590 177.584 -0.052 0.000 1.175 648 A CA 1.485 53.474 52.037 -0.081 0.000 0.628 648 A CB -0.553 18.417 19.000 -0.051 0.000 0.814 648 A HN 0.438 nan 8.150 nan 0.000 0.444 649 Q N -0.145 119.623 119.800 -0.055 0.000 2.096 649 Q HA -0.214 4.127 4.340 0.000 0.000 0.204 649 Q C 1.738 177.722 176.000 -0.026 0.000 0.982 649 Q CA 1.888 57.669 55.803 -0.037 0.000 0.850 649 Q CB -0.323 28.389 28.738 -0.042 0.000 0.901 649 Q HN 0.839 nan 8.270 nan 0.000 0.422 650 E N 0.083 120.262 120.200 -0.034 0.000 2.358 650 E HA -0.039 4.311 4.350 0.000 0.000 0.195 650 E C 1.925 178.533 176.600 0.013 0.000 1.010 650 E CA 0.210 56.603 56.400 -0.011 0.000 0.856 650 E CB 0.101 29.791 29.700 -0.018 0.000 0.795 650 E HN 0.268 nan 8.360 nan 0.000 0.504 651 L N 0.729 121.954 121.223 0.004 0.000 2.307 651 L HA 0.119 4.459 4.340 0.000 0.000 0.211 651 L C 1.175 178.071 176.870 0.042 0.000 1.099 651 L CA -0.371 54.495 54.840 0.043 0.000 0.816 651 L CB -0.069 42.017 42.059 0.044 0.000 0.952 651 L HN -0.019 nan 8.230 nan 0.000 0.455 652 A N 1.259 124.092 122.820 0.020 0.000 2.546 652 A HA 0.422 4.742 4.320 0.000 0.000 0.243 652 A C 0.313 177.913 177.584 0.027 0.000 1.063 652 A CA 0.800 52.847 52.037 0.018 0.000 0.757 652 A CB -0.139 18.863 19.000 0.003 0.000 0.991 652 A HN 0.281 nan 8.150 nan 0.000 0.503 653 K N 0.000 120.418 120.400 0.029 0.000 2.780 653 K HA 0.000 4.320 4.320 0.000 0.000 0.191 653 K CA 0.000 56.307 56.287 0.034 0.000 0.838 653 K CB 0.000 32.530 32.500 0.050 0.000 1.064 653 K HN 0.000 nan 8.250 nan 0.000 0.543