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 1w0k_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.285 176.300 -0.025 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 25 L N 2.480 123.682 121.223 -0.035 0.000 2.718 25 L HA 0.328 4.668 4.340 -0.000 0.000 0.242 25 L C 1.587 178.413 176.870 -0.074 0.000 1.203 25 L CA 0.274 55.073 54.840 -0.068 0.000 1.011 25 L CB -0.034 41.962 42.059 -0.106 0.000 1.250 25 L HN 0.437 nan 8.230 nan 0.000 0.437 26 E N -0.300 119.869 120.200 -0.051 0.000 2.290 26 E HA 0.004 4.354 4.350 -0.000 0.000 0.199 26 E C 1.296 177.869 176.600 -0.045 0.000 0.912 26 E CA 0.225 56.598 56.400 -0.046 0.000 0.924 26 E CB 0.601 30.280 29.700 -0.034 0.000 0.901 26 E HN 0.343 nan 8.360 nan 0.000 0.487 27 E N 0.030 120.204 120.200 -0.043 0.000 2.539 27 E HA 0.063 4.413 4.350 -0.000 0.000 0.215 27 E C 0.449 177.019 176.600 -0.051 0.000 0.965 27 E CA 0.381 56.754 56.400 -0.044 0.000 1.019 27 E CB 1.434 31.112 29.700 -0.035 0.000 1.059 27 E HN 0.188 nan 8.360 nan 0.000 0.496 28 T N -2.184 112.340 114.554 -0.049 0.000 2.858 28 T HA 0.820 5.170 4.350 -0.000 0.000 0.285 28 T C 0.343 175.012 174.700 -0.052 0.000 1.052 28 T CA -0.613 61.458 62.100 -0.049 0.000 1.009 28 T CB 2.538 71.388 68.868 -0.030 0.000 1.241 28 T HN 0.006 nan 8.240 nan 0.000 0.542 29 G N -0.211 108.566 108.800 -0.038 0.000 2.608 29 G HA2 0.645 4.605 3.960 -0.000 0.000 0.291 29 G HA3 0.645 4.605 3.960 -0.000 0.000 0.291 29 G C -1.897 173.023 174.900 0.033 0.000 1.425 29 G CA -1.242 43.847 45.100 -0.019 0.000 0.787 29 G HN 0.821 nan 8.290 nan 0.000 0.484 30 R N -0.545 120.006 120.500 0.086 0.000 2.670 30 R HA 0.608 4.948 4.340 -0.000 0.000 0.289 30 R C -0.695 175.686 176.300 0.135 0.000 0.965 30 R CA -0.849 55.319 56.100 0.113 0.000 0.899 30 R CB 2.588 32.961 30.300 0.121 0.000 1.173 30 R HN 0.329 nan 8.270 nan 0.000 0.456 31 V N 4.487 124.483 119.914 0.137 0.000 2.479 31 V HA -0.002 4.117 4.120 -0.000 0.000 0.281 31 V C 1.360 177.511 176.094 0.095 0.000 1.031 31 V CA 0.192 62.575 62.300 0.138 0.000 1.038 31 V CB 0.343 32.253 31.823 0.145 0.000 0.981 31 V HN 0.707 nan 8.190 nan 0.000 0.478 32 L N 3.612 124.888 121.223 0.088 0.000 2.102 32 L HA 0.101 4.441 4.340 -0.000 0.000 0.202 32 L C 0.991 177.883 176.870 0.037 0.000 1.076 32 L CA 0.990 55.860 54.840 0.051 0.000 0.761 32 L CB -0.014 42.075 42.059 0.050 0.000 0.921 32 L HN 0.847 nan 8.230 nan 0.000 0.444 33 S N -1.142 114.584 115.700 0.044 0.000 2.556 33 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 33 S C -0.976 173.641 174.600 0.028 0.000 1.135 33 S CA -0.731 57.486 58.200 0.027 0.000 0.858 33 S CB 2.710 65.921 63.200 0.018 0.000 1.114 33 S HN 0.024 nan 8.310 nan 0.000 0.468 34 I N 0.599 121.174 120.570 0.008 0.000 2.569 34 I HA 0.841 5.011 4.170 -0.000 0.000 0.290 34 I C -0.434 175.672 176.117 -0.018 0.000 1.088 34 I CA 0.310 61.604 61.300 -0.010 0.000 1.047 34 I CB 1.697 39.675 38.000 -0.038 0.000 1.237 34 I HN 1.263 nan 8.210 nan 0.000 0.421 35 G N 4.679 113.467 108.800 -0.020 0.000 2.503 35 G HA2 0.374 4.334 3.960 -0.000 0.000 0.305 35 G HA3 0.374 4.334 3.960 -0.000 0.000 0.305 35 G C -1.396 173.492 174.900 -0.021 0.000 1.575 35 G CA -0.546 44.541 45.100 -0.022 0.000 0.890 35 G HN 0.689 nan 8.290 nan 0.000 0.612 36 D N 0.164 120.549 120.400 -0.024 0.000 2.723 36 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 36 D C 1.602 177.888 176.300 -0.023 0.000 1.138 36 D CA 2.523 56.508 54.000 -0.024 0.000 0.676 36 D CB -1.219 39.567 40.800 -0.024 0.000 1.069 36 D HN 2.282 nan 8.370 nan 0.000 0.430 37 G N -0.973 107.812 108.800 -0.025 0.000 2.189 37 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 37 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 37 G C 0.235 175.138 174.900 0.005 0.000 0.975 37 G CA 0.445 45.534 45.100 -0.017 0.000 0.644 37 G HN 0.509 nan 8.290 nan 0.000 0.537 38 I N 1.002 121.574 120.570 0.004 0.000 2.362 38 I HA 0.690 4.860 4.170 -0.000 0.000 0.289 38 I C 0.450 176.592 176.117 0.041 0.000 0.994 38 I CA -1.081 60.236 61.300 0.030 0.000 1.158 38 I CB 1.180 39.189 38.000 0.014 0.000 1.315 38 I HN 0.327 nan 8.210 nan 0.000 0.451 39 A N 7.717 130.595 122.820 0.097 0.000 2.287 39 A HA 0.696 5.016 4.320 -0.000 0.000 0.317 39 A C -0.108 177.558 177.584 0.136 0.000 1.220 39 A CA -0.778 51.337 52.037 0.131 0.000 0.835 39 A CB 0.939 20.095 19.000 0.259 0.000 1.180 39 A HN 0.571 nan 8.150 nan 0.000 0.500 40 R N 1.678 122.239 120.500 0.101 0.000 2.254 40 R HA 0.487 4.827 4.340 -0.000 0.000 0.318 40 R C -1.006 175.362 176.300 0.113 0.000 1.031 40 R CA -0.293 55.861 56.100 0.091 0.000 0.905 40 R CB 1.266 31.605 30.300 0.065 0.000 1.050 40 R HN 0.434 nan 8.270 nan 0.000 0.456 41 V N 3.266 123.245 119.914 0.107 0.000 2.487 41 V HA 0.146 4.266 4.120 -0.000 0.000 0.298 41 V C -0.297 175.865 176.094 0.113 0.000 1.028 41 V CA -0.969 61.397 62.300 0.111 0.000 0.860 41 V CB 1.589 33.458 31.823 0.078 0.000 0.991 41 V HN 0.693 nan 8.190 nan 0.000 0.427 42 H N 3.244 122.332 119.070 0.031 0.000 2.620 42 H HA 0.658 5.214 4.556 -0.000 0.000 0.313 42 H C 0.495 175.830 175.328 0.012 0.000 1.075 42 H CA 1.378 57.438 56.048 0.020 0.000 1.397 42 H CB 0.814 30.588 29.762 0.020 0.000 1.446 42 H HN 1.096 nan 8.280 nan 0.000 0.493 43 G N 3.217 111.757 108.800 -0.434 0.000 2.464 43 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 43 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 43 G C -0.189 174.620 174.900 -0.152 0.000 1.186 43 G CA -0.482 44.422 45.100 -0.327 0.000 1.010 43 G HN 1.119 nan 8.290 nan 0.000 0.585 44 L N -0.222 120.936 121.223 -0.109 0.000 3.739 44 L HA -0.220 4.119 4.340 -0.000 0.000 0.442 44 L C 2.210 179.038 176.870 -0.069 0.000 1.241 44 L CA 0.730 55.523 54.840 -0.078 0.000 0.819 44 L CB -0.743 41.274 42.059 -0.070 0.000 1.679 44 L HN 0.610 nan 8.230 nan 0.000 0.889 45 R N -0.057 120.398 120.500 -0.075 0.000 2.159 45 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 45 R C 1.384 177.660 176.300 -0.040 0.000 1.131 45 R CA 1.525 57.589 56.100 -0.059 0.000 0.982 45 R CB -0.427 29.837 30.300 -0.059 0.000 0.868 45 R HN 0.568 nan 8.270 nan 0.000 0.453 46 N N -0.136 118.540 118.700 -0.039 0.000 2.280 46 N HA 0.001 4.741 4.740 -0.000 0.000 0.192 46 N C -0.090 175.403 175.510 -0.028 0.000 1.109 46 N CA 0.011 53.043 53.050 -0.030 0.000 0.855 46 N CB 0.378 38.848 38.487 -0.028 0.000 0.974 46 N HN 0.016 nan 8.380 nan 0.000 0.482 47 V N -0.908 118.987 119.914 -0.032 0.000 2.872 47 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 47 V C 0.424 176.509 176.094 -0.016 0.000 1.072 47 V CA -0.610 61.673 62.300 -0.029 0.000 1.148 47 V CB 0.573 32.376 31.823 -0.034 0.000 0.954 47 V HN 0.105 nan 8.190 nan 0.000 0.490 48 Q N 2.000 121.793 119.800 -0.012 0.000 2.221 48 Q HA 0.657 4.997 4.340 -0.000 0.000 0.242 48 Q C 0.221 176.226 176.000 0.009 0.000 0.940 48 Q CA -0.452 55.350 55.803 -0.002 0.000 0.896 48 Q CB 1.608 30.344 28.738 -0.003 0.000 1.226 48 Q HN 1.121 nan 8.270 nan 0.000 0.463 49 A N 1.993 124.824 122.820 0.018 0.000 2.524 49 A HA 0.025 4.345 4.320 -0.000 0.000 0.250 49 A C 0.152 177.758 177.584 0.038 0.000 1.078 49 A CA 0.313 52.369 52.037 0.032 0.000 0.761 49 A CB -0.268 18.755 19.000 0.037 0.000 1.012 49 A HN 0.941 nan 8.150 nan 0.000 0.500 50 E N -0.256 119.977 120.200 0.055 0.000 3.547 50 E HA -0.174 4.175 4.350 -0.000 0.000 0.309 50 E C 0.139 176.772 176.600 0.054 0.000 0.855 50 E CA 1.072 57.515 56.400 0.073 0.000 1.122 50 E CB -1.433 28.307 29.700 0.066 0.000 1.569 50 E HN 0.924 nan 8.360 nan 0.000 0.429 51 E N 0.374 120.591 120.200 0.029 0.000 2.349 51 E HA 0.227 4.577 4.350 -0.000 0.000 0.265 51 E C 0.102 176.695 176.600 -0.012 0.000 1.064 51 E CA -0.282 56.119 56.400 0.001 0.000 0.886 51 E CB 0.641 30.332 29.700 -0.016 0.000 1.036 51 E HN -0.000 nan 8.360 nan 0.000 0.413 52 M N 3.484 123.054 119.600 -0.050 0.000 2.216 52 M HA 0.218 4.698 4.480 -0.000 0.000 0.356 52 M C -0.328 175.894 176.300 -0.129 0.000 1.205 52 M CA -0.527 54.708 55.300 -0.109 0.000 1.122 52 M CB 0.955 33.463 32.600 -0.153 0.000 1.571 52 M HN 0.347 nan 8.290 nan 0.000 0.464 53 V N 0.947 120.757 119.914 -0.174 0.000 3.040 53 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 53 V C -0.924 174.989 176.094 -0.301 0.000 1.115 53 V CA -0.983 61.180 62.300 -0.229 0.000 0.998 53 V CB 2.179 33.840 31.823 -0.270 0.000 1.042 53 V HN 0.891 nan 8.190 nan 0.000 0.433 54 E N 1.134 121.160 120.200 -0.289 0.000 2.171 54 E HA 0.624 4.974 4.350 -0.000 0.000 0.271 54 E C -1.521 174.905 176.600 -0.290 0.000 0.916 54 E CA -0.647 55.623 56.400 -0.217 0.000 0.774 54 E CB 1.483 31.124 29.700 -0.099 0.000 1.128 54 E HN 0.598 nan 8.360 nan 0.000 0.403 55 F N 1.850 121.800 119.950 0.000 0.000 2.378 55 F HA 0.181 4.708 4.527 -0.000 0.000 0.325 55 F C 1.819 177.624 175.800 0.008 0.000 1.097 55 F CA -0.363 57.644 58.000 0.011 0.000 1.079 55 F CB 1.355 40.369 39.000 0.023 0.000 1.240 55 F HN 0.532 nan 8.300 nan 0.000 0.519 56 S N 0.312 116.138 115.700 0.211 0.000 2.378 56 S HA -0.285 4.184 4.470 -0.000 0.000 0.229 56 S C 2.123 176.785 174.600 0.103 0.000 1.052 56 S CA 2.011 60.282 58.200 0.118 0.000 1.084 56 S CB -0.753 62.506 63.200 0.098 0.000 0.950 56 S HN 0.767 nan 8.310 nan 0.000 0.440 57 S N 0.621 116.391 115.700 0.117 0.000 2.537 57 S HA 0.206 4.676 4.470 -0.000 0.000 0.240 57 S C 1.561 176.209 174.600 0.081 0.000 0.981 57 S CA 1.105 59.352 58.200 0.078 0.000 0.948 57 S CB -0.437 62.793 63.200 0.051 0.000 0.759 57 S HN 1.053 nan 8.310 nan 0.000 0.531 58 G N 0.259 109.123 108.800 0.108 0.000 2.194 58 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 58 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 58 G C -0.001 174.962 174.900 0.105 0.000 0.987 58 G CA 0.027 45.178 45.100 0.084 0.000 0.635 58 G HN 0.528 nan 8.290 nan 0.000 0.520 59 L N 0.604 121.923 121.223 0.161 0.000 2.467 59 L HA 0.393 4.733 4.340 -0.000 0.000 0.270 59 L C 1.014 178.038 176.870 0.256 0.000 1.205 59 L CA 0.091 55.048 54.840 0.196 0.000 0.828 59 L CB 0.484 42.651 42.059 0.179 0.000 1.101 59 L HN 0.098 nan 8.230 nan 0.000 0.479 60 K N 0.450 120.946 120.400 0.158 0.000 2.095 60 K HA 0.696 5.016 4.320 -0.000 0.000 0.252 60 K C -0.136 176.547 176.600 0.138 0.000 0.977 60 K CA -0.467 55.806 56.287 -0.025 0.000 0.900 60 K CB 1.718 34.003 32.500 -0.359 0.000 1.060 60 K HN 0.734 nan 8.250 nan 0.000 0.449 61 G N 0.899 109.703 108.800 0.006 0.000 2.733 61 G HA2 0.516 4.476 3.960 -0.000 0.000 0.297 61 G HA3 0.516 4.476 3.960 -0.000 0.000 0.297 61 G C -1.766 173.218 174.900 0.141 0.000 1.422 61 G CA -0.738 44.542 45.100 0.300 0.000 0.942 61 G HN 0.495 nan 8.290 nan 0.000 0.510 62 M N 1.695 121.522 119.600 0.378 0.000 2.181 62 M HA 0.483 4.962 4.480 -0.000 0.000 0.323 62 M C -0.238 176.173 176.300 0.185 0.000 1.004 62 M CA -0.520 54.943 55.300 0.271 0.000 0.941 62 M CB 1.460 34.333 32.600 0.453 0.000 1.579 62 M HN 0.332 nan 8.290 nan 0.000 0.427 63 S N 6.000 121.762 115.700 0.103 0.000 2.503 63 S HA 0.194 4.664 4.470 -0.000 0.000 0.317 63 S C 0.955 175.604 174.600 0.082 0.000 1.162 63 S CA -0.310 57.935 58.200 0.075 0.000 1.124 63 S CB -0.160 63.060 63.200 0.034 0.000 1.207 63 S HN 0.754 nan 8.310 nan 0.000 0.538 64 L N 2.242 123.516 121.223 0.086 0.000 2.298 64 L HA 0.195 4.535 4.340 -0.000 0.000 0.209 64 L C 0.168 177.074 176.870 0.059 0.000 1.084 64 L CA 0.540 55.427 54.840 0.077 0.000 0.816 64 L CB 0.081 42.179 42.059 0.066 0.000 0.967 64 L HN 0.384 nan 8.230 nan 0.000 0.460 65 N N 0.341 119.070 118.700 0.049 0.000 2.518 65 N HA 0.378 5.118 4.740 -0.000 0.000 0.254 65 N C -1.123 174.408 175.510 0.035 0.000 0.979 65 N CA -0.121 52.951 53.050 0.038 0.000 0.930 65 N CB 1.313 39.817 38.487 0.029 0.000 1.152 65 N HN -0.024 nan 8.380 nan 0.000 0.505 66 L N 1.995 123.236 121.223 0.031 0.000 2.270 66 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 66 L C 0.332 177.215 176.870 0.021 0.000 1.059 66 L CA -0.288 54.566 54.840 0.023 0.000 0.839 66 L CB 0.579 42.650 42.059 0.019 0.000 1.221 66 L HN 0.354 nan 8.230 nan 0.000 0.431 67 E N 3.609 123.822 120.200 0.021 0.000 2.235 67 E HA 0.310 4.659 4.350 -0.000 0.000 0.265 67 E C -1.656 174.956 176.600 0.020 0.000 0.940 67 E CA -1.781 54.632 56.400 0.021 0.000 0.819 67 E CB 1.830 31.544 29.700 0.025 0.000 1.206 67 E HN 0.240 nan 8.360 nan 0.000 0.409 68 P HA -0.214 nan 4.420 nan 0.000 0.217 68 P C 0.358 177.675 177.300 0.027 0.000 1.151 68 P CA 1.526 64.638 63.100 0.019 0.000 0.849 68 P CB 0.183 31.895 31.700 0.019 0.000 0.787 69 D N -2.690 117.735 120.400 0.042 0.000 2.500 69 D HA 0.052 4.692 4.640 -0.000 0.000 0.217 69 D C 0.042 176.403 176.300 0.101 0.000 1.159 69 D CA -0.139 53.906 54.000 0.074 0.000 0.828 69 D CB -0.241 40.603 40.800 0.074 0.000 1.039 69 D HN 0.331 nan 8.370 nan 0.000 0.512 70 N N -1.025 117.713 118.700 0.065 0.000 2.823 70 N HA 0.391 5.130 4.740 -0.000 0.000 0.251 70 N C -1.882 173.653 175.510 0.042 0.000 1.392 70 N CA -0.899 52.191 53.050 0.068 0.000 0.864 70 N CB 2.002 40.534 38.487 0.074 0.000 1.481 70 N HN -0.207 nan 8.380 nan 0.000 0.508 71 V N 0.052 119.992 119.914 0.043 0.000 2.448 71 V HA 0.736 4.856 4.120 -0.000 0.000 0.295 71 V C 0.591 176.719 176.094 0.057 0.000 1.025 71 V CA -0.731 61.591 62.300 0.037 0.000 0.859 71 V CB 1.359 33.193 31.823 0.019 0.000 0.988 71 V HN 0.904 nan 8.190 nan 0.000 0.431 72 G N 3.900 112.733 108.800 0.055 0.000 2.448 72 G HA2 0.481 4.441 3.960 -0.000 0.000 0.309 72 G HA3 0.481 4.441 3.960 -0.000 0.000 0.309 72 G C -0.495 174.456 174.900 0.086 0.000 1.027 72 G CA -0.146 44.993 45.100 0.065 0.000 1.104 72 G HN 0.514 nan 8.290 nan 0.000 0.428 73 V N 3.294 123.283 119.914 0.126 0.000 2.439 73 V HA 0.255 4.374 4.120 -0.000 0.000 0.282 73 V C 0.264 176.482 176.094 0.206 0.000 1.039 73 V CA -0.630 61.777 62.300 0.177 0.000 0.913 73 V CB 1.758 33.720 31.823 0.231 0.000 0.983 73 V HN 0.435 nan 8.190 nan 0.000 0.460 74 V N 5.750 125.792 119.914 0.213 0.000 2.407 74 V HA 0.292 4.412 4.120 -0.000 0.000 0.278 74 V C 0.162 176.437 176.094 0.301 0.000 1.037 74 V CA -0.521 61.888 62.300 0.182 0.000 0.900 74 V CB 1.569 33.454 31.823 0.104 0.000 0.983 74 V HN 0.609 nan 8.190 nan 0.000 0.459 75 V N 5.632 125.672 119.914 0.211 0.000 2.530 75 V HA 0.231 4.351 4.120 -0.000 0.000 0.282 75 V C 0.188 176.426 176.094 0.239 0.000 1.048 75 V CA -0.088 62.365 62.300 0.254 0.000 0.997 75 V CB 0.847 32.694 31.823 0.040 0.000 0.987 75 V HN 0.724 nan 8.190 nan 0.000 0.477 76 F N 4.322 124.342 119.950 0.118 0.000 2.871 76 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 76 F C 1.056 176.894 175.800 0.064 0.000 1.193 76 F CA 0.273 58.331 58.000 0.097 0.000 1.311 76 F CB 0.052 39.118 39.000 0.111 0.000 1.380 76 F HN 0.726 nan 8.300 nan 0.000 0.557 77 G N -0.267 108.616 108.800 0.137 0.000 2.367 77 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.272 77 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.272 77 G C -1.478 173.435 174.900 0.022 0.000 1.271 77 G CA -1.090 44.057 45.100 0.078 0.000 0.893 77 G HN -0.037 nan 8.290 nan 0.000 0.485 78 N N 0.617 119.321 118.700 0.008 0.000 2.497 78 N HA 0.196 4.935 4.740 -0.000 0.000 0.271 78 N C 0.340 175.822 175.510 -0.047 0.000 1.142 78 N CA -0.165 52.877 53.050 -0.015 0.000 0.965 78 N CB 1.408 39.891 38.487 -0.007 0.000 1.077 78 N HN 0.390 nan 8.380 nan 0.000 0.462 79 D N 2.450 122.816 120.400 -0.056 0.000 2.219 79 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 79 D C 1.612 177.864 176.300 -0.079 0.000 0.970 79 D CA 1.070 55.019 54.000 -0.086 0.000 0.851 79 D CB 0.080 40.840 40.800 -0.066 0.000 0.943 79 D HN 0.722 nan 8.370 nan 0.000 0.488 80 K N 0.897 121.267 120.400 -0.050 0.000 2.218 80 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 80 K C 1.726 178.301 176.600 -0.042 0.000 1.046 80 K CA 1.052 57.316 56.287 -0.038 0.000 0.933 80 K CB -0.372 32.114 32.500 -0.023 0.000 0.728 80 K HN 0.176 nan 8.250 nan 0.000 0.454 81 L N 0.818 122.009 121.223 -0.054 0.000 2.554 81 L HA 0.223 4.563 4.340 -0.000 0.000 0.226 81 L C 0.477 177.302 176.870 -0.075 0.000 1.137 81 L CA -0.060 54.751 54.840 -0.048 0.000 0.863 81 L CB 0.098 42.138 42.059 -0.033 0.000 0.985 81 L HN 0.168 nan 8.230 nan 0.000 0.451 82 I N -0.372 120.121 120.570 -0.128 0.000 2.377 82 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 82 I C -0.152 175.914 176.117 -0.085 0.000 0.987 82 I CA -0.349 60.853 61.300 -0.163 0.000 1.185 82 I CB 1.480 39.243 38.000 -0.395 0.000 1.341 82 I HN -0.095 nan 8.210 nan 0.000 0.455 83 K N 3.781 124.160 120.400 -0.034 0.000 2.400 83 K HA 0.374 4.694 4.320 -0.000 0.000 0.246 83 K C -0.688 175.922 176.600 0.017 0.000 0.995 83 K CA -1.014 55.268 56.287 -0.009 0.000 0.840 83 K CB 2.114 34.615 32.500 0.001 0.000 1.293 83 K HN 0.529 nan 8.250 nan 0.000 0.445 84 E N 0.235 120.444 120.200 0.016 0.000 2.465 84 E HA -0.031 4.319 4.350 -0.000 0.000 0.260 84 E C 0.457 177.079 176.600 0.036 0.000 0.980 84 E CA 1.236 57.653 56.400 0.028 0.000 0.927 84 E CB 0.145 29.855 29.700 0.016 0.000 0.934 84 E HN 0.798 nan 8.360 nan 0.000 0.459 85 G N 4.084 112.914 108.800 0.051 0.000 2.175 85 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 85 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 85 G C 0.012 174.952 174.900 0.066 0.000 0.982 85 G CA 0.173 45.304 45.100 0.052 0.000 0.641 85 G HN 0.671 nan 8.290 nan 0.000 0.527 86 D N 0.033 120.483 120.400 0.084 0.000 2.443 86 D HA 0.432 5.072 4.640 -0.000 0.000 0.239 86 D C 0.822 177.199 176.300 0.128 0.000 1.136 86 D CA 0.215 54.282 54.000 0.111 0.000 0.879 86 D CB 0.511 41.397 40.800 0.143 0.000 1.195 86 D HN 0.267 nan 8.370 nan 0.000 0.443 87 I N 2.769 123.402 120.570 0.105 0.000 2.352 87 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 87 I C -0.458 175.687 176.117 0.047 0.000 1.036 87 I CA -0.410 60.931 61.300 0.068 0.000 1.336 87 I CB 1.104 39.129 38.000 0.041 0.000 1.407 87 I HN 0.072 nan 8.210 nan 0.000 0.497 88 V N 7.223 127.130 119.914 -0.011 0.000 2.304 88 V HA 0.271 4.391 4.120 -0.000 0.000 0.269 88 V C 0.249 176.253 176.094 -0.150 0.000 1.036 88 V CA -0.898 61.303 62.300 -0.165 0.000 0.840 88 V CB 0.230 31.909 31.823 -0.239 0.000 1.036 88 V HN 0.587 nan 8.190 nan 0.000 0.466 89 K N 3.832 124.144 120.400 -0.147 0.000 2.249 89 K HA 0.432 4.752 4.320 -0.000 0.000 0.280 89 K C 0.351 176.872 176.600 -0.131 0.000 1.033 89 K CA -0.517 55.705 56.287 -0.108 0.000 0.946 89 K CB 1.290 33.745 32.500 -0.075 0.000 1.005 89 K HN 0.537 nan 8.250 nan 0.000 0.469 90 R N 0.518 120.959 120.500 -0.099 0.000 2.641 90 R HA -0.005 4.335 4.340 -0.000 0.000 0.269 90 R C 0.998 177.250 176.300 -0.079 0.000 1.074 90 R CA 0.452 56.497 56.100 -0.091 0.000 1.133 90 R CB 0.591 30.850 30.300 -0.068 0.000 1.029 90 R HN 0.834 nan 8.270 nan 0.000 0.488 91 T N -1.182 113.325 114.554 -0.078 0.000 2.975 91 T HA 0.148 4.498 4.350 -0.000 0.000 0.257 91 T C 0.935 175.604 174.700 -0.051 0.000 1.003 91 T CA 0.362 62.422 62.100 -0.066 0.000 0.932 91 T CB 0.436 69.258 68.868 -0.077 0.000 1.087 91 T HN 0.774 nan 8.240 nan 0.000 0.512 92 G N 1.486 110.257 108.800 -0.048 0.000 2.386 92 G HA2 0.235 4.195 3.960 -0.000 0.000 0.295 92 G HA3 0.235 4.195 3.960 -0.000 0.000 0.295 92 G C 0.136 175.015 174.900 -0.036 0.000 0.979 92 G CA -0.034 45.043 45.100 -0.037 0.000 1.193 92 G HN 1.659 nan 8.290 nan 0.000 0.508 93 A N -0.080 122.716 122.820 -0.041 0.000 2.521 93 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 93 A C -0.351 177.206 177.584 -0.044 0.000 1.044 93 A CA 0.107 52.121 52.037 -0.039 0.000 0.911 93 A CB 0.631 19.605 19.000 -0.043 0.000 1.376 93 A HN 1.847 nan 8.150 nan 0.000 0.392 94 I N 2.185 122.736 120.570 -0.033 0.000 2.918 94 I HA 0.692 4.862 4.170 -0.000 0.000 0.316 94 I C 0.070 176.171 176.117 -0.026 0.000 1.001 94 I CA -0.932 60.352 61.300 -0.028 0.000 1.142 94 I CB 1.689 39.680 38.000 -0.015 0.000 1.356 94 I HN 0.483 nan 8.210 nan 0.000 0.524 95 V N 4.848 124.754 119.914 -0.014 0.000 2.506 95 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 95 V C -0.267 175.826 176.094 -0.002 0.000 1.004 95 V CA 0.169 62.469 62.300 -0.000 0.000 1.150 95 V CB -1.051 30.797 31.823 0.041 0.000 0.911 95 V HN 0.796 nan 8.190 nan 0.000 0.476 96 D N 4.157 124.556 120.400 -0.003 0.000 2.581 96 D HA 0.632 5.272 4.640 -0.000 0.000 0.232 96 D C -0.732 175.570 176.300 0.003 0.000 1.143 96 D CA -0.596 53.404 54.000 -0.001 0.000 0.881 96 D CB 2.411 43.206 40.800 -0.009 0.000 1.500 96 D HN 0.438 nan 8.370 nan 0.000 0.458 97 V N -3.101 116.815 119.914 0.003 0.000 2.769 97 V HA 0.665 4.785 4.120 -0.000 0.000 0.312 97 V C -2.733 173.348 176.094 -0.021 0.000 1.061 97 V CA -2.258 60.043 62.300 0.002 0.000 0.931 97 V CB 1.563 33.395 31.823 0.016 0.000 1.010 97 V HN 0.492 nan 8.190 nan 0.000 0.433 98 P HA 0.216 nan 4.420 nan 0.000 0.266 98 P C -0.701 176.542 177.300 -0.095 0.000 1.193 98 P CA 0.242 63.307 63.100 -0.060 0.000 0.770 98 P CB 1.195 32.866 31.700 -0.048 0.000 0.836 99 V N 1.798 121.608 119.914 -0.174 0.000 2.851 99 V HA 0.772 4.892 4.120 -0.000 0.000 0.307 99 V C 0.332 176.052 176.094 -0.624 0.000 1.129 99 V CA 0.512 62.627 62.300 -0.307 0.000 0.932 99 V CB 1.887 33.581 31.823 -0.216 0.000 1.024 99 V HN 1.085 nan 8.190 nan 0.000 0.426 100 G N 4.181 112.429 108.800 -0.921 0.000 2.293 100 G HA2 0.043 4.003 3.960 -0.000 0.000 0.282 100 G HA3 0.043 4.003 3.960 -0.000 0.000 0.282 100 G C -0.082 174.472 174.900 -0.577 0.000 1.299 100 G CA 0.126 44.439 45.100 -1.311 0.000 1.018 100 G HN 0.620 nan 8.290 nan 0.000 0.478 101 E N 0.683 120.680 120.200 -0.340 0.000 2.152 101 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 101 E C 2.206 178.794 176.600 -0.021 0.000 0.983 101 E CA 1.535 57.901 56.400 -0.058 0.000 0.818 101 E CB 0.002 29.704 29.700 0.004 0.000 0.758 101 E HN 0.598 nan 8.360 nan 0.000 0.467 102 E N 0.693 120.851 120.200 -0.070 0.000 2.515 102 E HA -0.124 4.226 4.350 -0.000 0.000 0.201 102 E C 1.272 177.857 176.600 -0.024 0.000 1.071 102 E CA 0.481 56.860 56.400 -0.036 0.000 0.880 102 E CB 0.027 29.697 29.700 -0.049 0.000 0.828 102 E HN 0.251 nan 8.360 nan 0.000 0.540 103 L N 0.590 121.798 121.223 -0.025 0.000 2.446 103 L HA 0.200 4.540 4.340 -0.000 0.000 0.219 103 L C 1.127 178.021 176.870 0.040 0.000 1.116 103 L CA 0.316 55.157 54.840 0.002 0.000 0.844 103 L CB -0.562 41.496 42.059 -0.002 0.000 0.970 103 L HN 0.119 nan 8.230 nan 0.000 0.457 104 L N -0.336 120.926 121.223 0.064 0.000 2.456 104 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 104 L C 1.432 178.326 176.870 0.041 0.000 1.189 104 L CA 0.564 55.449 54.840 0.074 0.000 0.846 104 L CB 0.151 42.283 42.059 0.121 0.000 1.111 104 L HN 0.398 nan 8.230 nan 0.000 0.475 105 G N 1.287 110.097 108.800 0.015 0.000 2.148 105 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.254 105 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.254 105 G C 0.174 175.071 174.900 -0.006 0.000 0.981 105 G CA -0.259 44.837 45.100 -0.007 0.000 0.670 105 G HN 0.458 nan 8.290 nan 0.000 0.528 106 R N -0.800 119.701 120.500 0.002 0.000 2.803 106 R HA 0.728 5.067 4.340 -0.000 0.000 0.276 106 R C -0.449 175.856 176.300 0.008 0.000 0.978 106 R CA -0.927 55.176 56.100 0.005 0.000 0.939 106 R CB 1.881 32.186 30.300 0.008 0.000 1.179 106 R HN 0.219 nan 8.270 nan 0.000 0.472 107 V N 2.618 122.538 119.914 0.010 0.000 2.357 107 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 107 V C -0.033 176.075 176.094 0.023 0.000 1.018 107 V CA -0.753 61.558 62.300 0.018 0.000 0.841 107 V CB 1.567 33.398 31.823 0.013 0.000 0.991 107 V HN 0.579 nan 8.190 nan 0.000 0.437 108 V N 1.313 121.245 119.914 0.031 0.000 2.914 108 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 108 V C -0.269 175.850 176.094 0.040 0.000 1.084 108 V CA -0.943 61.376 62.300 0.032 0.000 0.963 108 V CB 2.029 33.869 31.823 0.028 0.000 1.025 108 V HN 0.773 nan 8.190 nan 0.000 0.432 109 D N 2.781 123.207 120.400 0.043 0.000 2.356 109 D HA 0.370 5.010 4.640 -0.000 0.000 0.258 109 D C 1.175 177.508 176.300 0.056 0.000 1.279 109 D CA 0.135 54.166 54.000 0.052 0.000 1.016 109 D CB 0.674 41.510 40.800 0.059 0.000 1.107 109 D HN 0.866 nan 8.370 nan 0.000 0.544 110 A N -0.976 121.883 122.820 0.065 0.000 2.209 110 A HA 0.065 4.385 4.320 -0.000 0.000 0.212 110 A C 1.841 179.478 177.584 0.088 0.000 1.158 110 A CA 0.436 52.514 52.037 0.068 0.000 0.742 110 A CB -0.687 18.353 19.000 0.066 0.000 0.790 110 A HN 0.500 nan 8.150 nan 0.000 0.472 111 L N -1.787 119.491 121.223 0.092 0.000 2.808 111 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 111 L C 1.464 178.365 176.870 0.052 0.000 1.153 111 L CA 0.458 55.351 54.840 0.087 0.000 0.956 111 L CB 0.283 42.409 42.059 0.111 0.000 1.270 111 L HN 0.507 nan 8.230 nan 0.000 0.528 112 G N 0.133 108.959 108.800 0.044 0.000 2.159 112 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 112 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 112 G C 0.160 175.072 174.900 0.021 0.000 0.977 112 G CA -0.201 44.914 45.100 0.026 0.000 0.652 112 G HN 0.393 nan 8.290 nan 0.000 0.531 113 N N 1.041 119.759 118.700 0.030 0.000 2.520 113 N HA 0.479 5.219 4.740 -0.000 0.000 0.273 113 N C 0.640 176.164 175.510 0.023 0.000 1.155 113 N CA 0.644 53.709 53.050 0.025 0.000 0.967 113 N CB 1.250 39.757 38.487 0.033 0.000 1.092 113 N HN 0.642 nan 8.380 nan 0.000 0.457 114 A N 2.386 125.216 122.820 0.016 0.000 2.492 114 A HA 0.213 4.532 4.320 -0.000 0.000 0.254 114 A C 1.169 178.763 177.584 0.017 0.000 1.091 114 A CA -0.114 51.932 52.037 0.014 0.000 0.768 114 A CB -0.566 18.439 19.000 0.008 0.000 1.028 114 A HN 0.800 nan 8.150 nan 0.000 0.498 115 I N -0.656 119.925 120.570 0.018 0.000 3.947 115 I HA 0.288 4.458 4.170 -0.000 0.000 0.327 115 I C 0.157 176.282 176.117 0.014 0.000 1.519 115 I CA -0.174 61.138 61.300 0.019 0.000 1.122 115 I CB 0.645 38.660 38.000 0.026 0.000 1.146 115 I HN 0.404 nan 8.210 nan 0.000 0.442 116 D N 0.768 121.174 120.400 0.010 0.000 2.349 116 D HA 0.199 4.839 4.640 -0.000 0.000 0.214 116 D C 1.666 177.968 176.300 0.004 0.000 1.063 116 D CA 0.466 54.469 54.000 0.005 0.000 0.847 116 D CB 0.165 40.966 40.800 0.001 0.000 0.933 116 D HN 0.403 nan 8.370 nan 0.000 0.513 117 G N 0.944 109.748 108.800 0.006 0.000 2.153 117 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.252 117 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.252 117 G C 0.624 175.526 174.900 0.003 0.000 0.994 117 G CA 0.355 45.458 45.100 0.005 0.000 0.698 117 G HN 0.449 nan 8.290 nan 0.000 0.521 118 K N 0.505 120.907 120.400 0.002 0.000 2.577 118 K HA 0.469 4.789 4.320 -0.000 0.000 0.210 118 K C 1.387 177.988 176.600 0.001 0.000 1.048 118 K CA 0.288 56.575 56.287 0.001 0.000 1.188 118 K CB 0.230 32.730 32.500 0.000 0.000 0.910 118 K HN 1.406 nan 8.250 nan 0.000 0.483 119 G N 2.423 111.225 108.800 0.002 0.000 2.860 119 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.553 119 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.553 119 G C -2.508 172.392 174.900 0.001 0.000 1.439 119 G CA -1.329 43.772 45.100 0.002 0.000 0.879 119 G HN 0.059 nan 8.290 nan 0.000 0.545 120 P HA 0.188 nan 4.420 nan 0.000 0.268 120 P C 0.779 178.075 177.300 -0.006 0.000 1.189 120 P CA -0.146 62.953 63.100 -0.003 0.000 0.771 120 P CB 0.285 31.982 31.700 -0.004 0.000 0.822 121 I N 1.436 122.001 120.570 -0.009 0.000 2.720 121 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 121 I C 1.939 178.042 176.117 -0.022 0.000 1.090 121 I CA 0.271 61.562 61.300 -0.016 0.000 1.384 121 I CB 0.493 38.481 38.000 -0.020 0.000 1.420 121 I HN 0.529 nan 8.210 nan 0.000 0.575 122 G N 3.621 112.404 108.800 -0.028 0.000 2.421 122 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 122 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 122 G C 0.590 175.463 174.900 -0.045 0.000 1.171 122 G CA 0.741 45.822 45.100 -0.033 0.000 0.775 122 G HN 0.845 nan 8.290 nan 0.000 0.543 123 S N -0.484 115.177 115.700 -0.065 0.000 3.339 123 S HA -0.225 4.245 4.470 -0.000 0.000 0.320 123 S C 0.853 175.410 174.600 -0.071 0.000 0.870 123 S CA 1.276 59.429 58.200 -0.079 0.000 1.365 123 S CB -1.091 62.074 63.200 -0.059 0.000 1.157 123 S HN 0.663 nan 8.310 nan 0.000 0.516 124 K N 1.089 121.436 120.400 -0.088 0.000 2.098 124 K HA 0.294 4.614 4.320 -0.000 0.000 0.203 124 K C 1.029 177.596 176.600 -0.054 0.000 1.051 124 K CA 1.317 57.567 56.287 -0.061 0.000 0.957 124 K CB 0.123 32.591 32.500 -0.054 0.000 0.738 124 K HN 0.862 nan 8.250 nan 0.000 0.447 125 A N 0.986 123.758 122.820 -0.080 0.000 2.469 125 A HA 0.634 4.954 4.320 -0.000 0.000 0.299 125 A C -1.032 176.509 177.584 -0.071 0.000 1.098 125 A CA -0.786 51.219 52.037 -0.053 0.000 0.737 125 A CB 1.338 20.330 19.000 -0.012 0.000 1.312 125 A HN 0.081 nan 8.150 nan 0.000 0.414 126 R N 0.120 120.597 120.500 -0.038 0.000 2.803 126 R HA 0.707 5.047 4.340 -0.000 0.000 0.276 126 R C -0.603 175.690 176.300 -0.012 0.000 0.978 126 R CA -0.807 55.273 56.100 -0.034 0.000 0.939 126 R CB 2.453 32.737 30.300 -0.026 0.000 1.179 126 R HN 0.747 nan 8.270 nan 0.000 0.472 127 R N 1.131 121.627 120.500 -0.007 0.000 2.686 127 R HA 0.341 4.681 4.340 -0.000 0.000 0.286 127 R C -0.586 175.718 176.300 0.007 0.000 0.969 127 R CA -0.805 55.300 56.100 0.010 0.000 0.898 127 R CB 1.622 31.939 30.300 0.028 0.000 1.183 127 R HN 0.514 nan 8.270 nan 0.000 0.456 128 R N 1.621 122.124 120.500 0.005 0.000 2.623 128 R HA -0.003 4.337 4.340 -0.000 0.000 0.271 128 R C 1.355 177.654 176.300 -0.001 0.000 1.043 128 R CA 0.179 56.277 56.100 -0.003 0.000 1.083 128 R CB 0.853 31.147 30.300 -0.010 0.000 0.974 128 R HN 0.561 nan 8.270 nan 0.000 0.436 129 V N 0.303 120.212 119.914 -0.008 0.000 2.951 129 V HA 0.159 4.279 4.120 -0.000 0.000 0.255 129 V C 0.840 176.900 176.094 -0.057 0.000 1.088 129 V CA 1.353 63.652 62.300 -0.001 0.000 1.109 129 V CB 0.216 32.047 31.823 0.013 0.000 0.724 129 V HN 0.735 nan 8.190 nan 0.000 0.471 130 G N 1.265 110.004 108.800 -0.101 0.000 3.565 130 G HA2 0.661 4.621 3.960 -0.000 0.000 0.346 130 G HA3 0.661 4.621 3.960 -0.000 0.000 0.346 130 G C -0.949 173.890 174.900 -0.101 0.000 1.363 130 G CA -0.367 44.630 45.100 -0.173 0.000 1.134 130 G HN 0.342 nan 8.290 nan 0.000 0.471 131 L N 0.580 121.760 121.223 -0.070 0.000 2.341 131 L HA 0.515 4.855 4.340 -0.000 0.000 0.267 131 L C 0.284 177.132 176.870 -0.037 0.000 1.009 131 L CA -1.089 53.727 54.840 -0.039 0.000 0.819 131 L CB 2.632 44.681 42.059 -0.016 0.000 1.323 131 L HN 0.187 nan 8.230 nan 0.000 0.425 132 K N 1.277 121.661 120.400 -0.026 0.000 2.350 132 K HA 0.418 4.737 4.320 -0.000 0.000 0.279 132 K C -0.087 176.500 176.600 -0.022 0.000 1.027 132 K CA -0.350 55.925 56.287 -0.019 0.000 0.969 132 K CB 1.033 33.528 32.500 -0.008 0.000 0.954 132 K HN 0.657 nan 8.250 nan 0.000 0.474 133 A N 5.345 128.154 122.820 -0.019 0.000 2.540 133 A HA 0.117 4.437 4.320 -0.000 0.000 0.239 133 A C -1.927 175.628 177.584 -0.049 0.000 1.061 133 A CA -1.078 50.944 52.037 -0.025 0.000 0.758 133 A CB -0.598 18.392 19.000 -0.016 0.000 0.991 133 A HN 0.498 nan 8.150 nan 0.000 0.502 134 P HA 0.026 nan 4.420 nan 0.000 0.261 134 P C 0.829 178.059 177.300 -0.116 0.000 1.165 134 P CA 0.840 63.858 63.100 -0.137 0.000 0.759 134 P CB 0.163 31.759 31.700 -0.172 0.000 0.772 135 G N 1.851 110.574 108.800 -0.129 0.000 2.479 135 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.275 135 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.275 135 G C 0.945 175.802 174.900 -0.072 0.000 1.421 135 G CA -0.449 44.602 45.100 -0.081 0.000 1.059 135 G HN 0.502 nan 8.290 nan 0.000 0.535 136 I N -0.747 119.798 120.570 -0.042 0.000 2.761 136 I HA -0.002 4.168 4.170 -0.000 0.000 0.261 136 I C 1.998 178.098 176.117 -0.028 0.000 1.198 136 I CA 0.519 61.803 61.300 -0.027 0.000 1.482 136 I CB 0.097 38.092 38.000 -0.009 0.000 1.100 136 I HN 0.240 nan 8.210 nan 0.000 0.445 137 I N 1.289 121.837 120.570 -0.036 0.000 2.429 137 I HA 0.044 4.214 4.170 -0.000 0.000 0.247 137 I C -0.556 175.547 176.117 -0.022 0.000 1.099 137 I CA 0.786 62.079 61.300 -0.012 0.000 1.422 137 I CB -2.615 35.397 38.000 0.019 0.000 1.112 137 I HN 0.138 nan 8.210 nan 0.000 0.430 138 P HA -0.007 nan 4.420 nan 0.000 0.251 138 P C -0.141 177.102 177.300 -0.095 0.000 1.251 138 P CA 0.676 63.658 63.100 -0.196 0.000 0.763 138 P CB -0.078 31.164 31.700 -0.764 0.000 1.067 139 R N -0.445 120.026 120.500 -0.049 0.000 2.873 139 R HA 0.746 5.086 4.340 -0.000 0.000 0.264 139 R C -0.718 175.584 176.300 0.002 0.000 1.026 139 R CA -1.018 55.066 56.100 -0.027 0.000 1.002 139 R CB 1.585 31.863 30.300 -0.036 0.000 1.174 139 R HN -0.100 nan 8.270 nan 0.000 0.488 140 I N -0.754 119.820 120.570 0.006 0.000 2.865 140 I HA 0.268 4.438 4.170 -0.000 0.000 0.302 140 I C -0.442 175.680 176.117 0.008 0.000 1.140 140 I CA -0.235 61.072 61.300 0.012 0.000 1.021 140 I CB 2.519 40.531 38.000 0.020 0.000 1.233 140 I HN 0.569 nan 8.210 nan 0.000 0.427 141 S N 2.528 118.233 115.700 0.009 0.000 2.574 141 S HA 0.047 4.517 4.470 -0.000 0.000 0.302 141 S C -0.280 174.325 174.600 0.009 0.000 1.270 141 S CA -0.141 58.064 58.200 0.008 0.000 1.040 141 S CB -0.024 63.181 63.200 0.009 0.000 0.767 141 S HN 0.430 nan 8.310 nan 0.000 0.494 142 V N 6.082 126.001 119.914 0.008 0.000 2.439 142 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 142 V C 1.218 177.317 176.094 0.008 0.000 1.040 142 V CA 0.318 62.623 62.300 0.009 0.000 1.002 142 V CB 0.690 32.517 31.823 0.007 0.000 1.000 142 V HN 0.790 nan 8.190 nan 0.000 0.477 143 R N 2.363 122.869 120.500 0.010 0.000 2.320 143 R HA 0.223 4.563 4.340 -0.000 0.000 0.193 143 R C 0.372 176.669 176.300 -0.005 0.000 0.885 143 R CA -0.036 56.066 56.100 0.004 0.000 1.085 143 R CB 0.358 30.662 30.300 0.006 0.000 1.253 143 R HN 0.658 nan 8.270 nan 0.000 0.636 144 E N 3.483 123.682 120.200 -0.001 0.000 2.376 144 E HA 0.127 4.477 4.350 -0.000 0.000 0.266 144 E C -2.359 174.215 176.600 -0.042 0.000 1.009 144 E CA -1.778 54.605 56.400 -0.028 0.000 0.902 144 E CB 0.485 30.175 29.700 -0.016 0.000 0.972 144 E HN -0.043 nan 8.360 nan 0.000 0.439 145 P HA -0.036 nan 4.420 nan 0.000 0.268 145 P C -0.625 176.616 177.300 -0.099 0.000 1.205 145 P CA 0.191 63.248 63.100 -0.071 0.000 0.771 145 P CB 0.463 32.116 31.700 -0.079 0.000 0.858 146 M N 3.653 123.218 119.600 -0.058 0.000 2.044 146 M HA 0.174 4.654 4.480 -0.000 0.000 0.333 146 M C -0.804 175.486 176.300 -0.016 0.000 1.004 146 M CA -0.430 54.839 55.300 -0.052 0.000 0.954 146 M CB 0.673 33.261 32.600 -0.020 0.000 1.468 146 M HN 0.322 nan 8.290 nan 0.000 0.414 147 Q N 2.616 122.417 119.800 0.002 0.000 2.256 147 Q HA 0.298 4.638 4.340 -0.000 0.000 0.254 147 Q C 1.051 177.119 176.000 0.114 0.000 0.916 147 Q CA 0.039 55.895 55.803 0.089 0.000 0.932 147 Q CB 1.387 30.249 28.738 0.208 0.000 1.207 147 Q HN 0.810 nan 8.270 nan 0.000 0.426 148 T N -2.050 112.549 114.554 0.076 0.000 3.023 148 T HA 0.199 4.549 4.350 -0.000 0.000 0.249 148 T C 1.220 175.947 174.700 0.046 0.000 1.050 148 T CA 0.677 62.811 62.100 0.057 0.000 1.088 148 T CB 0.211 69.099 68.868 0.033 0.000 0.946 148 T HN 0.807 nan 8.240 nan 0.000 0.480 149 G N 1.645 110.472 108.800 0.046 0.000 2.205 149 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.261 149 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.261 149 G C 0.019 174.927 174.900 0.013 0.000 0.980 149 G CA 0.232 45.346 45.100 0.023 0.000 0.632 149 G HN 0.679 nan 8.290 nan 0.000 0.533 150 I N 1.079 121.657 120.570 0.014 0.000 2.371 150 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 150 I C 1.614 177.739 176.117 0.013 0.000 1.028 150 I CA -0.552 60.752 61.300 0.006 0.000 1.345 150 I CB 1.265 39.266 38.000 0.002 0.000 1.407 150 I HN 0.002 nan 8.210 nan 0.000 0.501 151 K N 4.524 124.931 120.400 0.011 0.000 2.032 151 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 151 K C 2.064 178.674 176.600 0.016 0.000 1.048 151 K CA 1.714 58.010 56.287 0.016 0.000 0.927 151 K CB -0.218 32.291 32.500 0.015 0.000 0.712 151 K HN 0.807 nan 8.250 nan 0.000 0.441 152 A N 1.097 123.925 122.820 0.013 0.000 1.933 152 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 152 A C 2.404 180.001 177.584 0.022 0.000 1.175 152 A CA 1.486 53.533 52.037 0.017 0.000 0.628 152 A CB -0.614 18.397 19.000 0.017 0.000 0.814 152 A HN 0.077 nan 8.150 nan 0.000 0.444 153 V N 0.398 120.324 119.914 0.020 0.000 2.255 153 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 153 V C 2.087 178.194 176.094 0.021 0.000 1.038 153 V CA 2.146 64.458 62.300 0.020 0.000 1.008 153 V CB -0.884 30.948 31.823 0.016 0.000 0.645 153 V HN 0.442 nan 8.190 nan 0.000 0.449 154 D N 0.440 120.853 120.400 0.022 0.000 2.263 154 D HA -0.105 4.534 4.640 -0.000 0.000 0.208 154 D C 2.324 178.638 176.300 0.023 0.000 0.971 154 D CA 1.679 55.694 54.000 0.025 0.000 0.867 154 D CB -0.045 40.773 40.800 0.031 0.000 0.929 154 D HN 0.629 nan 8.370 nan 0.000 0.492 155 S N -1.222 114.492 115.700 0.022 0.000 2.499 155 S HA 0.129 4.599 4.470 -0.000 0.000 0.225 155 S C 1.700 176.312 174.600 0.020 0.000 1.050 155 S CA -0.083 58.130 58.200 0.021 0.000 0.928 155 S CB 0.216 63.428 63.200 0.021 0.000 0.803 155 S HN 0.171 nan 8.310 nan 0.000 0.506 156 L N 0.988 122.224 121.223 0.022 0.000 2.920 156 L HA 0.441 4.780 4.340 -0.000 0.000 0.257 156 L C -0.549 176.338 176.870 0.030 0.000 1.150 156 L CA -0.007 54.848 54.840 0.025 0.000 0.959 156 L CB 1.593 43.669 42.059 0.027 0.000 1.321 156 L HN 0.146 nan 8.230 nan 0.000 0.555 157 V N 0.148 120.079 119.914 0.028 0.000 2.637 157 V HA 0.213 4.332 4.120 -0.000 0.000 0.296 157 V C -2.523 173.583 176.094 0.020 0.000 1.118 157 V CA -0.984 61.333 62.300 0.028 0.000 1.230 157 V CB 0.387 32.230 31.823 0.034 0.000 1.360 157 V HN -0.014 nan 8.190 nan 0.000 0.620 158 P HA 0.229 nan 4.420 nan 0.000 0.267 158 P C -0.476 176.829 177.300 0.009 0.000 1.205 158 P CA 0.309 63.417 63.100 0.013 0.000 0.765 158 P CB 1.226 32.933 31.700 0.012 0.000 0.828 159 I N 2.505 123.078 120.570 0.006 0.000 2.353 159 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 159 I C 1.218 177.333 176.117 -0.003 0.000 0.992 159 I CA -0.447 60.854 61.300 0.002 0.000 1.268 159 I CB 0.778 38.778 38.000 0.001 0.000 1.387 159 I HN 0.335 nan 8.210 nan 0.000 0.478 160 G N 5.282 114.081 108.800 -0.001 0.000 2.437 160 G HA2 0.484 4.443 3.960 -0.000 0.000 0.319 160 G HA3 0.484 4.443 3.960 -0.000 0.000 0.319 160 G C -0.214 174.688 174.900 0.003 0.000 1.158 160 G CA -0.844 44.255 45.100 -0.002 0.000 0.899 160 G HN 0.541 nan 8.290 nan 0.000 0.502 161 R N 0.174 120.680 120.500 0.011 0.000 2.288 161 R HA 0.413 4.753 4.340 -0.000 0.000 0.330 161 R C 1.117 177.435 176.300 0.030 0.000 1.069 161 R CA 1.187 57.310 56.100 0.038 0.000 0.941 161 R CB 0.594 30.953 30.300 0.098 0.000 0.998 161 R HN 1.012 nan 8.270 nan 0.000 0.452 162 G N 1.928 110.738 108.800 0.017 0.000 2.211 162 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.201 162 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.201 162 G C 0.191 175.093 174.900 0.002 0.000 0.997 162 G CA -0.417 44.685 45.100 0.004 0.000 0.652 162 G HN 0.554 nan 8.290 nan 0.000 0.500 163 Q N -0.005 119.797 119.800 0.003 0.000 2.443 163 Q HA 0.643 4.983 4.340 -0.000 0.000 0.232 163 Q C -0.092 175.908 176.000 -0.001 0.000 1.026 163 Q CA -0.203 55.600 55.803 0.001 0.000 0.924 163 Q CB 0.363 29.101 28.738 0.000 0.000 1.256 163 Q HN 0.295 nan 8.270 nan 0.000 0.519 164 R N 1.761 122.258 120.500 -0.005 0.000 2.409 164 R HA 0.305 4.645 4.340 -0.000 0.000 0.313 164 R C -1.507 174.781 176.300 -0.019 0.000 0.953 164 R CA -0.528 55.567 56.100 -0.009 0.000 0.849 164 R CB 1.650 31.944 30.300 -0.011 0.000 1.171 164 R HN 0.425 nan 8.270 nan 0.000 0.458 165 E N 2.699 122.883 120.200 -0.026 0.000 2.191 165 E HA 0.320 4.670 4.350 -0.000 0.000 0.263 165 E C -1.417 175.146 176.600 -0.062 0.000 0.881 165 E CA -0.912 55.465 56.400 -0.038 0.000 0.757 165 E CB 1.048 30.732 29.700 -0.027 0.000 1.147 165 E HN 0.385 nan 8.360 nan 0.000 0.414 166 L N 5.628 126.795 121.223 -0.094 0.000 2.331 166 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 166 L C -0.877 175.898 176.870 -0.158 0.000 1.106 166 L CA 0.147 54.907 54.840 -0.134 0.000 0.824 166 L CB 0.514 42.468 42.059 -0.175 0.000 1.142 166 L HN 0.662 nan 8.230 nan 0.000 0.443 167 I N 7.044 127.536 120.570 -0.130 0.000 2.297 167 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 167 I C -0.295 175.733 176.117 -0.147 0.000 1.033 167 I CA -0.072 61.154 61.300 -0.123 0.000 1.253 167 I CB 1.001 38.961 38.000 -0.067 0.000 1.396 167 I HN 0.557 nan 8.210 nan 0.000 0.476 168 I N 5.811 126.258 120.570 -0.205 0.000 2.582 168 I HA 0.898 5.068 4.170 -0.000 0.000 0.292 168 I C -0.281 175.779 176.117 -0.095 0.000 1.066 168 I CA 0.066 61.249 61.300 -0.195 0.000 1.053 168 I CB 1.811 39.598 38.000 -0.355 0.000 1.241 168 I HN 0.669 nan 8.210 nan 0.000 0.421 169 G N 4.887 113.671 108.800 -0.026 0.000 2.325 169 G HA2 0.153 4.113 3.960 -0.000 0.000 0.297 169 G HA3 0.153 4.113 3.960 -0.000 0.000 0.297 169 G C -1.911 172.999 174.900 0.017 0.000 1.448 169 G CA -0.872 44.245 45.100 0.028 0.000 0.838 169 G HN 0.522 nan 8.290 nan 0.000 0.579 170 D N 0.418 120.833 120.400 0.025 0.000 2.362 170 D HA 0.310 4.950 4.640 -0.000 0.000 0.238 170 D C 1.323 177.614 176.300 -0.015 0.000 1.212 170 D CA 0.099 54.107 54.000 0.013 0.000 0.902 170 D CB 0.435 41.248 40.800 0.021 0.000 1.180 170 D HN 0.702 nan 8.370 nan 0.000 0.445 171 R N 0.281 120.775 120.500 -0.011 0.000 2.678 171 R HA -0.035 4.305 4.340 -0.000 0.000 0.264 171 R C -0.057 176.199 176.300 -0.073 0.000 0.995 171 R CA 0.016 56.100 56.100 -0.026 0.000 1.098 171 R CB -0.365 29.930 30.300 -0.009 0.000 0.949 171 R HN 0.341 nan 8.270 nan 0.000 0.422 172 Q N -0.591 119.151 119.800 -0.097 0.000 2.468 172 Q HA -0.198 4.141 4.340 -0.000 0.000 0.289 172 Q C 0.012 175.780 176.000 -0.386 0.000 1.299 172 Q CA 1.414 57.104 55.803 -0.188 0.000 0.838 172 Q CB -1.608 27.040 28.738 -0.151 0.000 1.195 172 Q HN 0.987 nan 8.270 nan 0.000 0.456 173 T N -5.533 108.851 114.554 -0.283 0.000 3.040 173 T HA 0.489 4.839 4.350 -0.000 0.000 0.266 173 T C 1.146 175.781 174.700 -0.107 0.000 1.005 173 T CA 0.406 62.315 62.100 -0.319 0.000 0.906 173 T CB 1.229 70.023 68.868 -0.123 0.000 1.082 173 T HN 0.937 nan 8.240 nan 0.000 0.531 174 G N 1.759 110.514 108.800 -0.075 0.000 2.143 174 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.175 174 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.175 174 G C 0.728 175.636 174.900 0.014 0.000 1.004 174 G CA 0.148 45.262 45.100 0.024 0.000 0.671 174 G HN 0.477 nan 8.290 nan 0.000 0.512 175 K N -0.138 120.260 120.400 -0.002 0.000 2.001 175 K HA -0.125 4.195 4.320 -0.000 0.000 0.214 175 K C 2.577 179.190 176.600 0.021 0.000 1.050 175 K CA 2.122 58.410 56.287 0.002 0.000 0.934 175 K CB -0.425 32.070 32.500 -0.007 0.000 0.718 175 K HN 0.335 nan 8.250 nan 0.000 0.443 176 T N 1.049 115.626 114.554 0.038 0.000 2.720 176 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 176 T C 2.118 176.845 174.700 0.045 0.000 1.037 176 T CA 1.669 63.816 62.100 0.079 0.000 1.144 176 T CB -0.278 68.646 68.868 0.093 0.000 0.864 176 T HN 0.179 nan 8.240 nan 0.000 0.444 177 S N 1.396 117.098 115.700 0.003 0.000 2.374 177 S HA -0.089 4.380 4.470 -0.000 0.000 0.227 177 S C 2.043 176.615 174.600 -0.046 0.000 1.037 177 S CA 0.921 59.087 58.200 -0.057 0.000 1.024 177 S CB -0.447 62.698 63.200 -0.093 0.000 0.861 177 S HN 0.380 nan 8.310 nan 0.000 0.456 178 I N 1.858 122.420 120.570 -0.014 0.000 2.208 178 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 178 I C 2.701 178.826 176.117 0.012 0.000 1.097 178 I CA 1.423 62.720 61.300 -0.005 0.000 1.363 178 I CB -1.656 36.344 38.000 0.000 0.000 1.051 178 I HN 0.273 nan 8.210 nan 0.000 0.413 179 A N 0.962 123.803 122.820 0.036 0.000 1.897 179 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 179 A C 2.243 179.869 177.584 0.070 0.000 1.181 179 A CA 1.026 53.105 52.037 0.069 0.000 0.620 179 A CB -0.432 18.647 19.000 0.132 0.000 0.821 179 A HN 0.216 nan 8.150 nan 0.000 0.443 180 I N 0.789 121.387 120.570 0.046 0.000 2.163 180 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 180 I C 1.799 177.941 176.117 0.042 0.000 1.081 180 I CA 1.631 62.945 61.300 0.024 0.000 1.353 180 I CB -1.588 36.425 38.000 0.022 0.000 1.054 180 I HN 0.282 nan 8.210 nan 0.000 0.407 181 D N 0.307 120.719 120.400 0.020 0.000 2.158 181 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 181 D C 2.157 178.481 176.300 0.039 0.000 0.995 181 D CA 1.637 55.650 54.000 0.021 0.000 0.846 181 D CB -0.293 40.489 40.800 -0.030 0.000 0.941 181 D HN 0.249 nan 8.370 nan 0.000 0.456 182 T N 0.385 114.964 114.554 0.041 0.000 2.788 182 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 182 T C 2.068 176.820 174.700 0.086 0.000 1.044 182 T CA 0.633 62.767 62.100 0.057 0.000 1.139 182 T CB -0.158 68.738 68.868 0.047 0.000 0.867 182 T HN 0.194 nan 8.240 nan 0.000 0.454 183 I N 0.725 121.350 120.570 0.092 0.000 2.233 183 I HA -0.119 4.051 4.170 -0.000 0.000 0.243 183 I C 2.261 178.487 176.117 0.181 0.000 1.093 183 I CA 0.835 62.216 61.300 0.136 0.000 1.380 183 I CB -0.429 37.616 38.000 0.075 0.000 1.067 183 I HN 0.176 nan 8.210 nan 0.000 0.413 184 I N 1.280 121.918 120.570 0.112 0.000 2.113 184 I HA -0.376 3.794 4.170 -0.000 0.000 0.242 184 I C 2.329 178.504 176.117 0.098 0.000 1.064 184 I CA 2.037 63.403 61.300 0.109 0.000 1.320 184 I CB -1.755 36.297 38.000 0.087 0.000 1.028 184 I HN 0.379 nan 8.210 nan 0.000 0.406 185 N N 0.777 119.507 118.700 0.050 0.000 2.132 185 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 185 N C 1.646 177.086 175.510 -0.118 0.000 1.015 185 N CA 1.197 54.229 53.050 -0.029 0.000 0.864 185 N CB 0.024 38.517 38.487 0.009 0.000 1.006 185 N HN 0.266 nan 8.380 nan 0.000 0.430 186 Q N 0.451 120.250 119.800 -0.001 0.000 2.508 186 Q HA -0.104 4.236 4.340 -0.000 0.000 0.214 186 Q C 1.568 177.364 176.000 -0.339 0.000 0.979 186 Q CA 0.624 56.388 55.803 -0.065 0.000 0.911 186 Q CB -0.189 28.527 28.738 -0.036 0.000 0.969 186 Q HN 0.530 nan 8.270 nan 0.000 0.504 187 K N 1.167 121.420 120.400 -0.246 0.000 2.032 187 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 187 K C 1.966 178.385 176.600 -0.301 0.000 1.048 187 K CA 1.558 57.712 56.287 -0.221 0.000 0.927 187 K CB 0.056 32.531 32.500 -0.042 0.000 0.712 187 K HN 0.251 nan 8.250 nan 0.000 0.441 188 R N -0.436 119.802 120.500 -0.437 0.000 2.117 188 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 188 R C 2.117 178.174 176.300 -0.406 0.000 1.143 188 R CA 1.907 57.726 56.100 -0.468 0.000 0.968 188 R CB -0.785 29.149 30.300 -0.609 0.000 0.863 188 R HN 0.227 nan 8.270 nan 0.000 0.444 189 F N 1.242 121.090 119.950 -0.169 0.000 2.270 189 F HA 0.100 4.627 4.527 -0.000 0.000 0.295 189 F C 2.038 177.701 175.800 -0.229 0.000 1.087 189 F CA 0.154 58.039 58.000 -0.191 0.000 1.365 189 F CB -0.261 38.608 39.000 -0.218 0.000 1.056 189 F HN -0.054 nan 8.300 nan 0.000 0.506 190 N N 0.151 118.750 118.700 -0.168 0.000 2.457 190 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 190 N C 0.695 176.126 175.510 -0.132 0.000 1.050 190 N CA 0.926 53.824 53.050 -0.252 0.000 0.906 190 N CB -0.251 37.897 38.487 -0.566 0.000 0.968 190 N HN 0.313 nan 8.380 nan 0.000 0.445 191 D N -0.340 119.998 120.400 -0.103 0.000 2.366 191 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 191 D C 1.295 177.574 176.300 -0.035 0.000 1.022 191 D CA 0.121 54.090 54.000 -0.052 0.000 0.868 191 D CB 0.184 40.954 40.800 -0.050 0.000 0.953 191 D HN 0.089 nan 8.370 nan 0.000 0.514 192 G N 0.326 109.104 108.800 -0.036 0.000 2.570 192 G HA2 0.216 4.176 3.960 -0.000 0.000 0.276 192 G HA3 0.216 4.176 3.960 -0.000 0.000 0.276 192 G C 1.072 175.967 174.900 -0.009 0.000 1.346 192 G CA 0.625 45.715 45.100 -0.016 0.000 1.034 192 G HN 0.169 nan 8.290 nan 0.000 0.512 193 T N -3.314 111.237 114.554 -0.005 0.000 2.971 193 T HA 0.106 4.456 4.350 -0.000 0.000 0.252 193 T C 0.533 175.229 174.700 -0.007 0.000 1.022 193 T CA 0.245 62.343 62.100 -0.002 0.000 0.980 193 T CB 0.290 69.158 68.868 -0.001 0.000 1.044 193 T HN 0.313 nan 8.240 nan 0.000 0.501 194 D N 2.495 122.887 120.400 -0.013 0.000 2.346 194 D HA 0.081 4.721 4.640 -0.000 0.000 0.267 194 D C 1.061 177.332 176.300 -0.050 0.000 1.320 194 D CA 0.034 54.016 54.000 -0.029 0.000 0.951 194 D CB 0.736 41.516 40.800 -0.034 0.000 1.079 194 D HN 0.235 nan 8.370 nan 0.000 0.509 195 E N 2.765 122.943 120.200 -0.038 0.000 2.216 195 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 195 E C 1.177 177.730 176.600 -0.079 0.000 0.988 195 E CA 0.633 57.014 56.400 -0.032 0.000 0.834 195 E CB 0.240 29.950 29.700 0.017 0.000 0.772 195 E HN 0.457 nan 8.360 nan 0.000 0.479 196 K N 0.537 120.871 120.400 -0.110 0.000 2.486 196 K HA 0.021 4.341 4.320 -0.000 0.000 0.194 196 K C 1.707 178.072 176.600 -0.392 0.000 1.033 196 K CA 0.444 56.612 56.287 -0.199 0.000 1.004 196 K CB 0.298 32.725 32.500 -0.122 0.000 0.798 196 K HN -0.094 nan 8.250 nan 0.000 0.495 197 K N 0.328 120.532 120.400 -0.326 0.000 2.353 197 K HA 0.080 4.400 4.320 -0.000 0.000 0.195 197 K C -0.183 176.151 176.600 -0.443 0.000 1.031 197 K CA 0.092 56.112 56.287 -0.445 0.000 1.079 197 K CB 0.524 32.792 32.500 -0.387 0.000 0.857 197 K HN -0.021 nan 8.250 nan 0.000 0.535 198 K N 1.792 121.994 120.400 -0.329 0.000 2.416 198 K HA 0.065 4.385 4.320 -0.000 0.000 0.283 198 K C -0.705 175.618 176.600 -0.461 0.000 1.037 198 K CA -0.093 55.977 56.287 -0.361 0.000 0.995 198 K CB 0.508 32.800 32.500 -0.346 0.000 0.938 198 K HN -0.122 nan 8.250 nan 0.000 0.475 199 L N 5.465 126.414 121.223 -0.456 0.000 2.342 199 L HA 0.306 4.646 4.340 -0.000 0.000 0.276 199 L C -1.378 175.270 176.870 -0.369 0.000 0.997 199 L CA -0.483 54.156 54.840 -0.335 0.000 0.838 199 L CB 0.589 42.552 42.059 -0.160 0.000 1.224 199 L HN 0.426 nan 8.230 nan 0.000 0.416 200 Y N 3.023 123.241 120.300 -0.136 0.000 2.301 200 Y HA 0.497 5.047 4.550 -0.000 0.000 0.328 200 Y C 0.448 176.276 175.900 -0.119 0.000 1.242 200 Y CA -0.211 57.777 58.100 -0.187 0.000 1.323 200 Y CB 1.007 39.073 38.460 -0.655 0.000 1.266 200 Y HN 0.483 nan 8.280 nan 0.000 0.527 201 C N 4.097 123.486 119.300 0.148 0.000 2.498 201 C HA 0.630 5.089 4.460 -0.000 0.000 0.316 201 C C -0.498 174.519 174.990 0.045 0.000 1.209 201 C CA -1.114 57.958 59.018 0.090 0.000 1.518 201 C CB 0.218 28.045 27.740 0.146 0.000 2.147 201 C HN 0.556 nan 8.230 nan 0.000 0.483 202 I N 2.778 123.358 120.570 0.017 0.000 2.439 202 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 202 I C -1.134 174.980 176.117 -0.005 0.000 1.023 202 I CA -0.428 60.878 61.300 0.010 0.000 1.100 202 I CB 1.014 39.007 38.000 -0.013 0.000 1.238 202 I HN 0.664 nan 8.210 nan 0.000 0.445 203 Y N 6.801 127.056 120.300 -0.074 0.000 2.385 203 Y HA 0.472 5.022 4.550 -0.000 0.000 0.341 203 Y C -0.489 175.375 175.900 -0.060 0.000 0.965 203 Y CA -0.522 57.531 58.100 -0.078 0.000 1.180 203 Y CB 1.201 39.629 38.460 -0.054 0.000 1.139 203 Y HN 0.325 nan 8.280 nan 0.000 0.502 204 V N 6.199 125.845 119.914 -0.447 0.000 2.383 204 V HA 0.602 4.722 4.120 -0.000 0.000 0.275 204 V C 0.042 175.896 176.094 -0.401 0.000 1.036 204 V CA -0.646 61.487 62.300 -0.278 0.000 0.889 204 V CB 0.835 32.575 31.823 -0.137 0.000 0.985 204 V HN 0.898 nan 8.190 nan 0.000 0.459 205 A N 6.930 129.667 122.820 -0.139 0.000 2.273 205 A HA 0.800 5.120 4.320 -0.000 0.000 0.320 205 A C -0.500 177.079 177.584 -0.009 0.000 1.358 205 A CA -0.351 51.666 52.037 -0.034 0.000 0.910 205 A CB -0.051 19.052 19.000 0.171 0.000 1.159 205 A HN 0.796 nan 8.150 nan 0.000 0.526 206 I N 2.373 122.927 120.570 -0.027 0.000 2.328 206 I HA 0.510 4.679 4.170 -0.000 0.000 0.287 206 I C 1.251 177.379 176.117 0.018 0.000 1.012 206 I CA 0.357 61.655 61.300 -0.004 0.000 1.195 206 I CB 1.484 39.472 38.000 -0.020 0.000 1.350 206 I HN 0.926 nan 8.210 nan 0.000 0.464 207 G N 3.787 112.605 108.800 0.030 0.000 2.184 207 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 207 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 207 G C 0.294 175.217 174.900 0.038 0.000 0.975 207 G CA -0.267 44.855 45.100 0.035 0.000 0.642 207 G HN 0.598 nan 8.290 nan 0.000 0.536 208 Q N 0.530 120.357 119.800 0.045 0.000 2.340 208 Q HA 0.416 4.756 4.340 -0.000 0.000 0.249 208 Q C 0.796 176.825 176.000 0.048 0.000 0.957 208 Q CA 0.090 55.925 55.803 0.054 0.000 0.882 208 Q CB 0.655 29.441 28.738 0.080 0.000 1.235 208 Q HN 0.674 nan 8.270 nan 0.000 0.439 209 K N 1.025 121.450 120.400 0.042 0.000 2.258 209 K HA 0.134 4.454 4.320 -0.000 0.000 0.264 209 K C 0.491 177.112 176.600 0.035 0.000 1.007 209 K CA -0.360 55.948 56.287 0.034 0.000 0.941 209 K CB 0.961 33.478 32.500 0.028 0.000 0.966 209 K HN 0.411 nan 8.250 nan 0.000 0.480 210 R N 0.842 121.359 120.500 0.029 0.000 2.091 210 R HA -0.137 4.202 4.340 -0.000 0.000 0.238 210 R C 2.127 178.439 176.300 0.021 0.000 1.136 210 R CA 2.158 58.274 56.100 0.027 0.000 0.959 210 R CB -0.356 29.958 30.300 0.022 0.000 0.856 210 R HN 0.806 nan 8.270 nan 0.000 0.437 211 S N -0.180 115.531 115.700 0.018 0.000 2.374 211 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 211 S C 1.898 176.505 174.600 0.012 0.000 1.037 211 S CA 1.992 60.199 58.200 0.012 0.000 1.024 211 S CB -0.450 62.758 63.200 0.013 0.000 0.861 211 S HN 0.406 nan 8.310 nan 0.000 0.456 212 T N 2.013 116.579 114.554 0.020 0.000 2.821 212 T HA -0.020 4.329 4.350 -0.000 0.000 0.267 212 T C 1.927 176.635 174.700 0.013 0.000 1.046 212 T CA 1.184 63.297 62.100 0.022 0.000 1.139 212 T CB -0.367 68.524 68.868 0.039 0.000 0.871 212 T HN 0.251 nan 8.240 nan 0.000 0.454 213 V N 1.516 121.444 119.914 0.024 0.000 2.548 213 V HA -0.040 4.080 4.120 -0.000 0.000 0.249 213 V C 2.842 178.929 176.094 -0.013 0.000 1.055 213 V CA 1.307 63.617 62.300 0.018 0.000 1.065 213 V CB -1.150 30.703 31.823 0.051 0.000 0.681 213 V HN 0.498 nan 8.190 nan 0.000 0.462 214 A N -0.569 122.247 122.820 -0.007 0.000 1.877 214 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 214 A C 2.201 179.765 177.584 -0.034 0.000 1.186 214 A CA 1.442 53.469 52.037 -0.018 0.000 0.620 214 A CB -0.488 18.507 19.000 -0.009 0.000 0.822 214 A HN 0.468 nan 8.150 nan 0.000 0.443 215 Q N -0.565 119.218 119.800 -0.029 0.000 2.181 215 Q HA -0.128 4.212 4.340 -0.000 0.000 0.205 215 Q C 2.095 178.056 176.000 -0.065 0.000 0.980 215 Q CA 0.896 56.675 55.803 -0.040 0.000 0.862 215 Q CB -0.510 28.216 28.738 -0.020 0.000 0.905 215 Q HN 0.608 nan 8.270 nan 0.000 0.429 216 L N 0.624 121.801 121.223 -0.077 0.000 2.027 216 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 216 L C 2.411 179.190 176.870 -0.151 0.000 1.074 216 L CA 1.657 56.414 54.840 -0.138 0.000 0.745 216 L CB -0.790 41.149 42.059 -0.201 0.000 0.898 216 L HN 0.194 nan 8.230 nan 0.000 0.433 217 V N -1.867 117.976 119.914 -0.117 0.000 2.626 217 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 217 V C 2.578 178.615 176.094 -0.095 0.000 1.067 217 V CA 1.714 63.951 62.300 -0.104 0.000 1.081 217 V CB -0.728 31.053 31.823 -0.071 0.000 0.686 217 V HN 0.333 nan 8.190 nan 0.000 0.468 218 K N 1.587 121.936 120.400 -0.085 0.000 2.032 218 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 218 K C 2.320 178.853 176.600 -0.112 0.000 1.048 218 K CA 2.263 58.499 56.287 -0.085 0.000 0.927 218 K CB -0.613 31.842 32.500 -0.074 0.000 0.712 218 K HN 0.423 nan 8.250 nan 0.000 0.441 219 R N 0.542 120.961 120.500 -0.134 0.000 2.081 219 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 219 R C 2.132 178.347 176.300 -0.142 0.000 1.131 219 R CA 1.654 57.647 56.100 -0.178 0.000 0.960 219 R CB -0.662 29.524 30.300 -0.191 0.000 0.856 219 R HN 0.365 nan 8.270 nan 0.000 0.436 220 L N -0.438 120.709 121.223 -0.128 0.000 2.275 220 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 220 L C 1.866 178.662 176.870 -0.123 0.000 1.119 220 L CA 1.405 56.167 54.840 -0.130 0.000 0.790 220 L CB -0.452 41.509 42.059 -0.163 0.000 0.919 220 L HN 0.285 nan 8.230 nan 0.000 0.443 221 T N -1.029 113.461 114.554 -0.107 0.000 2.809 221 T HA -0.111 4.239 4.350 -0.000 0.000 0.260 221 T C 1.298 175.954 174.700 -0.073 0.000 1.039 221 T CA 1.031 63.080 62.100 -0.085 0.000 1.141 221 T CB -0.068 68.757 68.868 -0.072 0.000 0.869 221 T HN 0.279 nan 8.240 nan 0.000 0.437 222 D N 1.414 121.764 120.400 -0.084 0.000 2.378 222 D HA 0.074 4.714 4.640 -0.000 0.000 0.222 222 D C 1.403 177.662 176.300 -0.067 0.000 0.980 222 D CA 0.355 54.308 54.000 -0.079 0.000 0.907 222 D CB -0.032 40.705 40.800 -0.106 0.000 0.899 222 D HN 0.413 nan 8.370 nan 0.000 0.527 223 A N 0.136 122.919 122.820 -0.062 0.000 2.503 223 A HA 0.164 4.483 4.320 -0.000 0.000 0.263 223 A C 0.387 177.967 177.584 -0.008 0.000 1.258 223 A CA -0.108 51.911 52.037 -0.031 0.000 0.936 223 A CB 0.205 19.193 19.000 -0.020 0.000 1.070 223 A HN -0.023 nan 8.150 nan 0.000 0.522 224 D N -1.806 118.581 120.400 -0.023 0.000 2.708 224 D HA -0.215 4.425 4.640 -0.000 0.000 0.236 224 D C 0.819 177.130 176.300 0.018 0.000 1.146 224 D CA 1.041 55.041 54.000 0.000 0.000 0.662 224 D CB -0.987 39.831 40.800 0.029 0.000 1.059 224 D HN 0.543 nan 8.370 nan 0.000 0.428 225 A N -0.585 122.163 122.820 -0.120 0.000 2.229 225 A HA 0.147 4.467 4.320 -0.000 0.000 0.211 225 A C 2.002 179.139 177.584 -0.745 0.000 1.193 225 A CA 0.163 51.934 52.037 -0.444 0.000 0.879 225 A CB 0.072 18.926 19.000 -0.243 0.000 0.911 225 A HN 0.300 nan 8.150 nan 0.000 0.492 226 M N 1.285 120.674 119.600 -0.351 0.000 2.159 226 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 226 M C 2.061 178.230 176.300 -0.218 0.000 1.063 226 M CA 1.889 57.035 55.300 -0.257 0.000 1.110 226 M CB -0.944 31.574 32.600 -0.136 0.000 1.374 226 M HN 0.691 nan 8.290 nan 0.000 0.411 227 K N 0.224 120.535 120.400 -0.149 0.000 2.211 227 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 227 K C 0.911 177.575 176.600 0.106 0.000 1.047 227 K CA 1.695 57.988 56.287 0.011 0.000 0.935 227 K CB -0.729 31.829 32.500 0.096 0.000 0.728 227 K HN 0.530 nan 8.250 nan 0.000 0.452 228 Y N -0.410 119.939 120.300 0.080 0.000 2.696 228 Y HA 0.475 5.025 4.550 -0.000 0.000 0.260 228 Y C -0.631 175.331 175.900 0.104 0.000 1.165 228 Y CA -1.059 57.125 58.100 0.140 0.000 1.189 228 Y CB 0.254 38.799 38.460 0.142 0.000 1.180 228 Y HN -0.226 nan 8.280 nan 0.000 0.538 229 T N 2.896 117.383 114.554 -0.112 0.000 2.848 229 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 229 T C -0.457 174.238 174.700 -0.009 0.000 0.995 229 T CA -0.473 61.581 62.100 -0.076 0.000 0.970 229 T CB 1.578 70.326 68.868 -0.200 0.000 0.976 229 T HN 0.192 nan 8.240 nan 0.000 0.441 230 I N 2.744 123.335 120.570 0.035 0.000 2.315 230 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 230 I C -0.325 175.825 176.117 0.055 0.000 1.006 230 I CA -0.947 60.382 61.300 0.048 0.000 1.265 230 I CB 1.284 39.330 38.000 0.077 0.000 1.387 230 I HN 0.211 nan 8.210 nan 0.000 0.475 231 V N 7.551 127.496 119.914 0.053 0.000 2.347 231 V HA 0.271 4.391 4.120 -0.000 0.000 0.280 231 V C 0.028 176.169 176.094 0.079 0.000 1.021 231 V CA -0.583 61.772 62.300 0.092 0.000 0.847 231 V CB 1.731 33.596 31.823 0.070 0.000 0.990 231 V HN 0.430 nan 8.190 nan 0.000 0.444 232 V N 4.935 124.897 119.914 0.080 0.000 2.313 232 V HA 0.472 4.592 4.120 -0.000 0.000 0.278 232 V C 0.273 176.401 176.094 0.057 0.000 1.017 232 V CA -0.270 62.062 62.300 0.054 0.000 0.823 232 V CB 1.632 33.475 31.823 0.033 0.000 1.010 232 V HN 0.920 nan 8.190 nan 0.000 0.443 233 S N 4.273 120.011 115.700 0.062 0.000 2.498 233 S HA 0.812 5.282 4.470 -0.000 0.000 0.317 233 S C -0.273 174.356 174.600 0.048 0.000 1.090 233 S CA -0.262 57.976 58.200 0.063 0.000 1.089 233 S CB 1.682 64.929 63.200 0.079 0.000 0.997 233 S HN 1.082 nan 8.310 nan 0.000 0.470 234 A N 4.092 126.935 122.820 0.039 0.000 2.399 234 A HA 0.635 4.955 4.320 -0.000 0.000 0.327 234 A C 0.636 178.241 177.584 0.036 0.000 1.367 234 A CA -0.638 51.421 52.037 0.036 0.000 0.842 234 A CB -0.209 18.809 19.000 0.030 0.000 1.142 234 A HN 1.090 nan 8.150 nan 0.000 0.495 235 T N -0.918 113.659 114.554 0.038 0.000 2.754 235 T HA 0.499 4.849 4.350 -0.000 0.000 0.286 235 T C 1.542 176.261 174.700 0.032 0.000 0.997 235 T CA 0.065 62.187 62.100 0.037 0.000 0.982 235 T CB 1.007 69.897 68.868 0.037 0.000 1.027 235 T HN 1.065 nan 8.240 nan 0.000 0.529 236 A N 0.920 123.758 122.820 0.031 0.000 1.986 236 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 236 A C 2.474 180.071 177.584 0.022 0.000 1.171 236 A CA 2.078 54.131 52.037 0.027 0.000 0.640 236 A CB -1.405 17.611 19.000 0.026 0.000 0.811 236 A HN 1.193 nan 8.150 nan 0.000 0.451 237 S N -0.738 114.976 115.700 0.022 0.000 2.593 237 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 237 S C -0.100 174.512 174.600 0.019 0.000 0.966 237 S CA -0.142 58.069 58.200 0.019 0.000 0.914 237 S CB -0.240 62.972 63.200 0.019 0.000 0.776 237 S HN 0.387 nan 8.310 nan 0.000 0.523 238 D N 2.586 122.999 120.400 0.021 0.000 2.255 238 D HA 0.585 5.224 4.640 -0.000 0.000 0.249 238 D C 0.282 176.585 176.300 0.006 0.000 1.078 238 D CA -0.030 53.982 54.000 0.020 0.000 0.896 238 D CB 1.509 42.325 40.800 0.026 0.000 1.194 238 D HN 0.402 nan 8.370 nan 0.000 0.429 239 A N 1.600 124.416 122.820 -0.007 0.000 2.555 239 A HA 0.305 4.625 4.320 -0.000 0.000 0.233 239 A C 1.446 178.997 177.584 -0.055 0.000 1.060 239 A CA 0.516 52.531 52.037 -0.037 0.000 0.759 239 A CB 0.187 19.151 19.000 -0.059 0.000 0.995 239 A HN 0.647 nan 8.150 nan 0.000 0.506 240 A N 3.470 126.263 122.820 -0.045 0.000 1.917 240 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 240 A C 0.167 177.743 177.584 -0.014 0.000 1.182 240 A CA 1.981 54.009 52.037 -0.015 0.000 0.633 240 A CB -1.548 17.446 19.000 -0.010 0.000 0.819 240 A HN 0.713 nan 8.150 nan 0.000 0.448 241 P HA -0.138 nan 4.420 nan 0.000 0.219 241 P C 1.415 178.635 177.300 -0.134 0.000 1.146 241 P CA 0.979 63.980 63.100 -0.164 0.000 0.808 241 P CB -0.160 31.158 31.700 -0.636 0.000 0.779 242 L N -0.572 120.535 121.223 -0.194 0.000 2.068 242 L HA -0.090 4.250 4.340 -0.000 0.000 0.204 242 L C 2.956 179.838 176.870 0.021 0.000 1.076 242 L CA 1.373 56.175 54.840 -0.063 0.000 0.753 242 L CB -1.185 40.856 42.059 -0.029 0.000 0.910 242 L HN -0.100 nan 8.230 nan 0.000 0.439 243 Q N -1.045 118.776 119.800 0.035 0.000 2.226 243 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 243 Q C 2.048 178.105 176.000 0.095 0.000 0.975 243 Q CA 1.734 57.571 55.803 0.056 0.000 0.866 243 Q CB -0.233 28.541 28.738 0.060 0.000 0.915 243 Q HN 0.492 nan 8.270 nan 0.000 0.440 244 Y N 0.848 121.147 120.300 -0.000 0.000 2.163 244 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 244 Y C 1.672 177.615 175.900 0.071 0.000 1.136 244 Y CA 1.263 59.382 58.100 0.031 0.000 1.147 244 Y CB -0.264 38.226 38.460 0.049 0.000 0.987 244 Y HN -0.017 nan 8.280 nan 0.000 0.509 245 L N -0.071 121.081 121.223 -0.119 0.000 2.217 245 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 245 L C 2.743 179.584 176.870 -0.048 0.000 1.107 245 L CA 0.741 55.505 54.840 -0.126 0.000 0.783 245 L CB -0.946 41.129 42.059 0.028 0.000 0.919 245 L HN 0.379 nan 8.230 nan 0.000 0.442 246 A N 1.296 124.088 122.820 -0.047 0.000 1.869 246 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 246 A C -0.061 177.482 177.584 -0.068 0.000 1.203 246 A CA 2.134 54.151 52.037 -0.032 0.000 0.638 246 A CB -1.938 17.051 19.000 -0.018 0.000 0.831 246 A HN 0.278 nan 8.150 nan 0.000 0.450 247 P HA -0.156 nan 4.420 nan 0.000 0.215 247 P C 0.996 178.164 177.300 -0.220 0.000 1.153 247 P CA 1.418 64.381 63.100 -0.227 0.000 0.853 247 P CB -0.249 31.026 31.700 -0.708 0.000 0.788 248 Y N -0.444 119.787 120.300 -0.114 0.000 2.181 248 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 248 Y C 2.660 178.541 175.900 -0.032 0.000 1.146 248 Y CA 1.218 59.255 58.100 -0.104 0.000 1.164 248 Y CB -1.183 37.157 38.460 -0.199 0.000 0.982 248 Y HN -0.082 nan 8.280 nan 0.000 0.515 249 S N -0.060 115.701 115.700 0.103 0.000 2.359 249 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 249 S C 2.370 177.014 174.600 0.073 0.000 1.035 249 S CA 1.284 59.529 58.200 0.076 0.000 1.018 249 S CB -1.009 62.227 63.200 0.059 0.000 0.876 249 S HN 0.674 nan 8.310 nan 0.000 0.448 250 G N -0.133 108.709 108.800 0.070 0.000 2.432 250 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 250 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 250 G C 1.688 176.641 174.900 0.087 0.000 1.135 250 G CA 1.002 46.140 45.100 0.063 0.000 0.767 250 G HN 0.588 nan 8.290 nan 0.000 0.550 251 C N 0.189 119.569 119.300 0.135 0.000 2.453 251 C HA 0.038 4.497 4.460 -0.000 0.000 0.277 251 C C 3.204 178.270 174.990 0.126 0.000 1.262 251 C CA 1.615 60.723 59.018 0.150 0.000 1.718 251 C CB -0.884 26.964 27.740 0.180 0.000 2.031 251 C HN 0.348 nan 8.230 nan 0.000 0.480 252 S N 0.421 116.188 115.700 0.111 0.000 2.387 252 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 252 S C 1.751 176.415 174.600 0.107 0.000 1.035 252 S CA 2.166 60.422 58.200 0.094 0.000 1.014 252 S CB -0.364 62.877 63.200 0.068 0.000 0.836 252 S HN 0.658 nan 8.310 nan 0.000 0.466 253 M N 0.343 120.009 119.600 0.110 0.000 2.086 253 M HA -0.048 4.431 4.480 -0.000 0.000 0.261 253 M C 2.351 178.830 176.300 0.298 0.000 1.067 253 M CA 1.553 56.934 55.300 0.136 0.000 1.116 253 M CB -0.655 32.017 32.600 0.119 0.000 1.348 253 M HN 0.416 nan 8.290 nan 0.000 0.407 254 G N -0.699 108.271 108.800 0.285 0.000 2.744 254 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 254 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 254 G C 1.341 176.430 174.900 0.316 0.000 1.143 254 G CA 0.263 45.584 45.100 0.367 0.000 0.788 254 G HN 0.458 nan 8.290 nan 0.000 0.534 255 E N -0.685 119.645 120.200 0.218 0.000 2.122 255 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 255 E C 1.806 178.477 176.600 0.118 0.000 0.977 255 E CA 0.027 56.511 56.400 0.140 0.000 0.820 255 E CB -0.117 29.641 29.700 0.097 0.000 0.770 255 E HN 0.533 nan 8.360 nan 0.000 0.462 256 Y N 0.605 120.884 120.300 -0.036 0.000 2.151 256 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 256 Y C 1.689 177.459 175.900 -0.217 0.000 1.166 256 Y CA 1.763 59.755 58.100 -0.180 0.000 1.163 256 Y CB -0.331 37.922 38.460 -0.344 0.000 0.974 256 Y HN -0.033 nan 8.280 nan 0.000 0.511 257 F N -0.089 119.908 119.950 0.079 0.000 2.128 257 F HA -0.106 4.421 4.527 -0.000 0.000 0.295 257 F C 2.801 178.573 175.800 -0.048 0.000 1.100 257 F CA 1.704 59.708 58.000 0.006 0.000 1.260 257 F CB -0.667 38.416 39.000 0.137 0.000 1.009 257 F HN -0.130 nan 8.300 nan 0.000 0.476 258 R N 0.664 121.262 120.500 0.162 0.000 2.103 258 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 258 R C 1.531 177.814 176.300 -0.029 0.000 1.142 258 R CA 2.206 58.323 56.100 0.029 0.000 0.960 258 R CB -0.480 29.838 30.300 0.030 0.000 0.858 258 R HN 0.208 nan 8.270 nan 0.000 0.439 259 D N -0.049 120.320 120.400 -0.051 0.000 2.194 259 D HA -0.060 4.580 4.640 -0.000 0.000 0.204 259 D C 0.250 176.485 176.300 -0.108 0.000 0.964 259 D CA 0.993 54.955 54.000 -0.063 0.000 0.846 259 D CB -0.141 40.620 40.800 -0.064 0.000 0.962 259 D HN 0.235 nan 8.370 nan 0.000 0.490 260 N N -0.468 118.103 118.700 -0.214 0.000 2.714 260 N HA 0.333 5.072 4.740 -0.000 0.000 0.298 260 N C 0.788 176.241 175.510 -0.094 0.000 1.298 260 N CA 0.203 53.117 53.050 -0.227 0.000 1.007 260 N CB 0.869 39.064 38.487 -0.486 0.000 1.318 260 N HN 0.052 nan 8.380 nan 0.000 0.516 261 G N -0.285 108.495 108.800 -0.034 0.000 2.196 261 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.268 261 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.268 261 G C 0.402 175.364 174.900 0.104 0.000 0.975 261 G CA 0.618 45.732 45.100 0.024 0.000 0.648 261 G HN 0.392 nan 8.290 nan 0.000 0.538 262 K N -0.255 120.231 120.400 0.144 0.000 2.240 262 K HA 0.685 5.005 4.320 -0.000 0.000 0.237 262 K C 0.007 176.753 176.600 0.244 0.000 1.027 262 K CA -0.762 55.737 56.287 0.353 0.000 0.937 262 K CB 0.695 33.523 32.500 0.547 0.000 1.171 262 K HN 0.391 nan 8.250 nan 0.000 0.479 263 H N -0.474 118.726 119.070 0.216 0.000 2.589 263 H HA 0.534 5.090 4.556 -0.000 0.000 0.351 263 H C -1.130 174.251 175.328 0.089 0.000 1.074 263 H CA -0.913 55.197 56.048 0.103 0.000 1.203 263 H CB 1.996 31.753 29.762 -0.009 0.000 1.558 263 H HN 0.617 nan 8.280 nan 0.000 0.522 264 A N 3.064 125.973 122.820 0.150 0.000 2.423 264 A HA 0.616 4.936 4.320 -0.000 0.000 0.304 264 A C -1.380 176.225 177.584 0.035 0.000 1.104 264 A CA -0.726 51.347 52.037 0.060 0.000 0.757 264 A CB 1.896 20.945 19.000 0.082 0.000 1.313 264 A HN 0.532 nan 8.150 nan 0.000 0.423 265 L N 1.576 122.801 121.223 0.004 0.000 2.406 265 L HA 0.813 5.153 4.340 -0.000 0.000 0.272 265 L C -1.329 175.504 176.870 -0.061 0.000 0.980 265 L CA -0.359 54.471 54.840 -0.018 0.000 0.831 265 L CB 1.371 43.429 42.059 0.000 0.000 1.253 265 L HN 0.708 nan 8.230 nan 0.000 0.406 266 I N 5.079 125.565 120.570 -0.140 0.000 2.441 266 I HA 0.592 4.762 4.170 -0.000 0.000 0.295 266 I C -1.168 174.684 176.117 -0.443 0.000 0.994 266 I CA -0.354 60.764 61.300 -0.303 0.000 1.144 266 I CB 1.395 39.151 38.000 -0.406 0.000 1.314 266 I HN 0.667 nan 8.210 nan 0.000 0.445 267 I N 8.147 128.449 120.570 -0.447 0.000 2.362 267 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 267 I C -1.162 174.584 176.117 -0.620 0.000 0.994 267 I CA -0.073 60.967 61.300 -0.434 0.000 1.158 267 I CB 1.143 39.036 38.000 -0.179 0.000 1.315 267 I HN 0.384 nan 8.210 nan 0.000 0.451 268 Y N 4.429 124.576 120.300 -0.255 0.000 2.518 268 Y HA 0.381 4.931 4.550 -0.000 0.000 0.344 268 Y C -0.047 175.680 175.900 -0.288 0.000 0.982 268 Y CA -0.590 57.337 58.100 -0.287 0.000 1.234 268 Y CB 0.675 38.977 38.460 -0.265 0.000 1.114 268 Y HN 0.402 nan 8.280 nan 0.000 0.515 269 D N 3.774 124.034 120.400 -0.234 0.000 2.446 269 D HA 0.180 4.820 4.640 -0.000 0.000 0.251 269 D C -1.240 174.997 176.300 -0.105 0.000 1.137 269 D CA -0.502 53.383 54.000 -0.192 0.000 0.890 269 D CB 0.512 41.132 40.800 -0.300 0.000 1.071 269 D HN 0.605 nan 8.370 nan 0.000 0.528 270 D N 0.752 121.119 120.400 -0.054 0.000 2.497 270 D HA 0.275 4.915 4.640 -0.000 0.000 0.243 270 D C 1.238 177.492 176.300 -0.077 0.000 1.039 270 D CA -0.753 53.210 54.000 -0.062 0.000 1.052 270 D CB 1.120 41.894 40.800 -0.043 0.000 1.344 270 D HN 0.097 nan 8.370 nan 0.000 0.553 271 L N -0.113 121.024 121.223 -0.142 0.000 2.240 271 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 271 L C 2.045 178.873 176.870 -0.069 0.000 1.106 271 L CA 0.638 55.334 54.840 -0.241 0.000 0.793 271 L CB -0.320 41.371 42.059 -0.613 0.000 0.927 271 L HN 0.388 nan 8.230 nan 0.000 0.446 272 S N 0.225 115.904 115.700 -0.036 0.000 2.372 272 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 272 S C 1.912 176.575 174.600 0.104 0.000 1.044 272 S CA 1.544 59.773 58.200 0.048 0.000 1.050 272 S CB -0.140 63.080 63.200 0.034 0.000 0.901 272 S HN 0.396 nan 8.310 nan 0.000 0.447 273 K N 0.725 121.168 120.400 0.071 0.000 2.217 273 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 273 K C 2.378 179.044 176.600 0.110 0.000 1.051 273 K CA 0.574 56.912 56.287 0.086 0.000 0.952 273 K CB -0.134 32.398 32.500 0.054 0.000 0.736 273 K HN 0.385 nan 8.250 nan 0.000 0.453 274 Q N 0.805 120.667 119.800 0.102 0.000 2.079 274 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 274 Q C 2.053 178.189 176.000 0.227 0.000 0.974 274 Q CA 1.374 57.258 55.803 0.136 0.000 0.840 274 Q CB -0.017 28.764 28.738 0.072 0.000 0.898 274 Q HN 0.302 nan 8.270 nan 0.000 0.430 275 A N 0.163 123.136 122.820 0.255 0.000 1.858 275 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 275 A C 2.257 180.104 177.584 0.438 0.000 1.190 275 A CA 1.668 53.876 52.037 0.285 0.000 0.617 275 A CB -1.014 18.072 19.000 0.144 0.000 0.827 275 A HN 0.280 nan 8.150 nan 0.000 0.443 276 V N 0.022 120.162 119.914 0.378 0.000 2.317 276 V HA -0.348 3.772 4.120 -0.000 0.000 0.251 276 V C 3.052 179.239 176.094 0.155 0.000 1.065 276 V CA 2.275 64.725 62.300 0.251 0.000 1.049 276 V CB -1.307 30.614 31.823 0.164 0.000 0.651 276 V HN 0.655 nan 8.190 nan 0.000 0.450 277 A N -1.316 121.603 122.820 0.165 0.000 1.902 277 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 277 A C 2.168 179.842 177.584 0.151 0.000 1.181 277 A CA 2.085 54.201 52.037 0.132 0.000 0.623 277 A CB -0.708 18.377 19.000 0.142 0.000 0.818 277 A HN 0.631 nan 8.150 nan 0.000 0.443 278 Y N 0.315 120.654 120.300 0.065 0.000 2.263 278 Y HA -0.092 4.458 4.550 -0.000 0.000 0.292 278 Y C 2.434 178.333 175.900 -0.001 0.000 1.130 278 Y CA 1.536 59.632 58.100 -0.007 0.000 1.179 278 Y CB -0.467 38.024 38.460 0.051 0.000 0.998 278 Y HN 0.348 nan 8.280 nan 0.000 0.532 279 R N 0.398 120.907 120.500 0.015 0.000 2.091 279 R HA -0.267 4.073 4.340 -0.000 0.000 0.238 279 R C 2.435 178.638 176.300 -0.161 0.000 1.136 279 R CA 1.976 57.998 56.100 -0.130 0.000 0.959 279 R CB -0.428 29.753 30.300 -0.198 0.000 0.856 279 R HN 0.573 nan 8.270 nan 0.000 0.437 280 Q N 0.263 120.007 119.800 -0.092 0.000 2.077 280 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 280 Q C 2.026 177.962 176.000 -0.108 0.000 0.989 280 Q CA 2.469 58.222 55.803 -0.084 0.000 0.853 280 Q CB -0.123 28.590 28.738 -0.042 0.000 0.907 280 Q HN 0.445 nan 8.270 nan 0.000 0.418 281 M N -0.308 119.214 119.600 -0.129 0.000 2.099 281 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 281 M C 2.472 178.655 176.300 -0.195 0.000 1.067 281 M CA 1.355 56.568 55.300 -0.145 0.000 1.124 281 M CB -0.104 32.407 32.600 -0.148 0.000 1.353 281 M HN 0.157 nan 8.290 nan 0.000 0.410 282 S N 1.109 116.612 115.700 -0.328 0.000 2.359 282 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 282 S C 1.877 176.367 174.600 -0.184 0.000 1.035 282 S CA 1.307 59.312 58.200 -0.325 0.000 1.018 282 S CB -0.453 62.467 63.200 -0.468 0.000 0.876 282 S HN 0.357 nan 8.310 nan 0.000 0.448 283 L N 0.747 121.873 121.223 -0.163 0.000 2.056 283 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 283 L C 2.045 178.864 176.870 -0.085 0.000 1.078 283 L CA 0.975 55.747 54.840 -0.114 0.000 0.749 283 L CB -0.504 41.486 42.059 -0.114 0.000 0.901 283 L HN 0.262 nan 8.230 nan 0.000 0.433 284 L N -0.401 120.772 121.223 -0.083 0.000 2.551 284 L HA -0.115 4.225 4.340 -0.000 0.000 0.228 284 L C 1.756 178.599 176.870 -0.045 0.000 1.153 284 L CA 0.536 55.342 54.840 -0.057 0.000 0.851 284 L CB -0.092 41.937 42.059 -0.051 0.000 0.959 284 L HN 0.297 nan 8.230 nan 0.000 0.451 285 L N -0.832 120.356 121.223 -0.057 0.000 2.667 285 L HA 0.185 4.525 4.340 -0.000 0.000 0.232 285 L C 0.789 177.637 176.870 -0.037 0.000 1.138 285 L CA -0.072 54.745 54.840 -0.039 0.000 0.921 285 L CB 0.055 42.088 42.059 -0.043 0.000 1.180 285 L HN 0.201 nan 8.230 nan 0.000 0.487 286 R N -0.357 120.116 120.500 -0.045 0.000 3.989 286 R HA -0.150 4.190 4.340 -0.000 0.000 0.377 286 R C 0.010 176.287 176.300 -0.038 0.000 1.158 286 R CA 0.456 56.533 56.100 -0.037 0.000 1.035 286 R CB -1.652 28.634 30.300 -0.023 0.000 1.557 286 R HN 0.406 nan 8.270 nan 0.000 0.551 287 R N 2.299 122.769 120.500 -0.051 0.000 2.522 287 R HA 0.073 4.413 4.340 -0.000 0.000 0.284 287 R C -1.866 174.407 176.300 -0.044 0.000 1.032 287 R CA -1.087 54.985 56.100 -0.046 0.000 1.049 287 R CB 0.067 30.327 30.300 -0.067 0.000 0.956 287 R HN -0.035 nan 8.270 nan 0.000 0.422 288 P HA -0.010 nan 4.420 nan 0.000 0.258 288 P C -2.231 175.052 177.300 -0.029 0.000 1.187 288 P CA -0.737 62.347 63.100 -0.025 0.000 0.767 288 P CB -0.107 31.584 31.700 -0.014 0.000 0.770 289 P HA 0.210 nan 4.420 nan 0.000 0.272 289 P C 0.311 177.591 177.300 -0.033 0.000 1.223 289 P CA 0.190 63.263 63.100 -0.044 0.000 0.784 289 P CB 1.029 32.694 31.700 -0.058 0.000 0.923 290 G N 0.974 109.758 108.800 -0.028 0.000 3.247 290 G HA2 0.398 4.358 3.960 -0.000 0.000 0.199 290 G HA3 0.398 4.358 3.960 -0.000 0.000 0.199 290 G C -0.733 174.122 174.900 -0.075 0.000 1.172 290 G CA -0.897 44.174 45.100 -0.048 0.000 0.844 290 G HN 0.575 nan 8.290 nan 0.000 0.619 291 R N 0.473 120.875 120.500 -0.163 0.000 2.502 291 R HA 0.162 4.502 4.340 -0.000 0.000 0.292 291 R C 0.231 176.512 176.300 -0.033 0.000 0.998 291 R CA 1.151 57.137 56.100 -0.190 0.000 1.056 291 R CB -0.279 29.759 30.300 -0.437 0.000 0.939 291 R HN 0.708 nan 8.270 nan 0.000 0.411 292 E N 2.720 122.937 120.200 0.027 0.000 3.065 292 E HA -0.353 3.997 4.350 -0.000 0.000 0.277 292 E C 0.281 176.834 176.600 -0.079 0.000 1.008 292 E CA 0.599 57.054 56.400 0.093 0.000 0.864 292 E CB -1.125 28.783 29.700 0.347 0.000 1.439 292 E HN 0.916 nan 8.360 nan 0.000 0.445 293 A N -2.509 120.255 122.820 -0.094 0.000 3.383 293 A HA -0.291 4.029 4.320 -0.000 0.000 0.264 293 A C 0.045 177.504 177.584 -0.208 0.000 1.154 293 A CA 1.533 53.467 52.037 -0.173 0.000 1.179 293 A CB -2.062 16.803 19.000 -0.224 0.000 1.133 293 A HN 0.408 nan 8.150 nan 0.000 0.933 294 Y N 1.083 121.399 120.300 0.026 0.000 2.336 294 Y HA 0.456 5.006 4.550 -0.000 0.000 0.331 294 Y C -1.314 174.613 175.900 0.046 0.000 1.211 294 Y CA -1.145 56.999 58.100 0.075 0.000 1.346 294 Y CB 0.458 39.066 38.460 0.247 0.000 1.271 294 Y HN 0.255 nan 8.280 nan 0.000 0.538 295 P HA 0.038 nan 4.420 nan 0.000 0.274 295 P C 0.557 177.978 177.300 0.202 0.000 1.237 295 P CA -0.153 63.009 63.100 0.104 0.000 0.793 295 P CB 0.993 32.686 31.700 -0.011 0.000 0.977 296 G N 1.297 110.188 108.800 0.150 0.000 2.527 296 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 296 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 296 G C 0.578 175.621 174.900 0.239 0.000 1.117 296 G CA 0.496 45.700 45.100 0.174 0.000 0.759 296 G HN 0.660 nan 8.290 nan 0.000 0.556 297 D N -0.125 120.443 120.400 0.280 0.000 2.643 297 D HA 0.112 4.752 4.640 -0.000 0.000 0.244 297 D C 1.436 177.973 176.300 0.396 0.000 1.257 297 D CA -0.534 53.685 54.000 0.367 0.000 0.831 297 D CB 0.238 41.280 40.800 0.403 0.000 1.043 297 D HN 0.061 nan 8.370 nan 0.000 0.488 298 V N -0.348 119.769 119.914 0.338 0.000 2.719 298 V HA -0.025 4.095 4.120 -0.000 0.000 0.252 298 V C 1.658 177.742 176.094 -0.018 0.000 1.065 298 V CA 0.865 63.273 62.300 0.180 0.000 1.086 298 V CB -0.663 31.255 31.823 0.157 0.000 0.700 298 V HN 0.233 nan 8.190 nan 0.000 0.467 299 F N 0.057 119.992 119.950 -0.024 0.000 2.113 299 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 299 F C 2.183 178.024 175.800 0.068 0.000 1.103 299 F CA 2.308 60.288 58.000 -0.034 0.000 1.248 299 F CB -0.555 38.453 39.000 0.013 0.000 0.999 299 F HN 0.339 nan 8.300 nan 0.000 0.475 300 Y N 0.766 121.185 120.300 0.198 0.000 2.315 300 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 300 Y C 2.015 177.898 175.900 -0.029 0.000 1.154 300 Y CA 1.601 59.759 58.100 0.096 0.000 1.229 300 Y CB -0.805 37.745 38.460 0.149 0.000 0.980 300 Y HN 0.275 nan 8.280 nan 0.000 0.540 301 L N -0.663 120.482 121.223 -0.130 0.000 2.005 301 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 301 L C 2.339 179.112 176.870 -0.162 0.000 1.072 301 L CA 2.148 56.844 54.840 -0.241 0.000 0.744 301 L CB -0.741 41.128 42.059 -0.316 0.000 0.895 301 L HN 0.277 nan 8.230 nan 0.000 0.433 302 H N -1.461 117.463 119.070 -0.243 0.000 2.343 302 H HA -0.103 4.453 4.556 -0.000 0.000 0.303 302 H C 2.471 177.583 175.328 -0.360 0.000 1.068 302 H CA 1.107 56.958 56.048 -0.328 0.000 1.359 302 H CB -0.090 29.465 29.762 -0.344 0.000 1.402 302 H HN 0.540 nan 8.280 nan 0.000 0.515 303 S N 1.714 117.189 115.700 -0.376 0.000 2.372 303 S HA -0.322 4.147 4.470 -0.000 0.000 0.227 303 S C 2.168 176.665 174.600 -0.171 0.000 1.044 303 S CA 1.837 59.803 58.200 -0.391 0.000 1.050 303 S CB -0.387 62.446 63.200 -0.612 0.000 0.901 303 S HN 0.574 nan 8.310 nan 0.000 0.447 304 R N 0.716 121.132 120.500 -0.140 0.000 2.092 304 R HA 0.060 4.400 4.340 -0.000 0.000 0.231 304 R C 2.433 178.708 176.300 -0.040 0.000 1.119 304 R CA 1.319 57.362 56.100 -0.095 0.000 0.970 304 R CB -0.734 29.435 30.300 -0.218 0.000 0.864 304 R HN 0.480 nan 8.270 nan 0.000 0.440 305 L N 1.321 122.537 121.223 -0.012 0.000 1.976 305 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 305 L C 2.089 178.907 176.870 -0.086 0.000 1.071 305 L CA 1.717 56.537 54.840 -0.034 0.000 0.746 305 L CB -0.338 41.539 42.059 -0.303 0.000 0.890 305 L HN 0.257 nan 8.230 nan 0.000 0.432 306 L N -0.344 120.800 121.223 -0.133 0.000 2.465 306 L HA -0.044 4.296 4.340 -0.000 0.000 0.224 306 L C 1.982 178.829 176.870 -0.037 0.000 1.145 306 L CA 0.350 55.140 54.840 -0.083 0.000 0.834 306 L CB -0.524 41.461 42.059 -0.124 0.000 0.944 306 L HN 0.353 nan 8.230 nan 0.000 0.451 307 E N -0.003 120.174 120.200 -0.038 0.000 2.489 307 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 307 E C 1.800 178.395 176.600 -0.008 0.000 1.057 307 E CA 0.158 56.547 56.400 -0.018 0.000 0.866 307 E CB 0.247 29.939 29.700 -0.013 0.000 0.916 307 E HN 0.456 nan 8.360 nan 0.000 0.500 308 R N 0.778 121.279 120.500 0.002 0.000 2.200 308 R HA 0.114 4.454 4.340 -0.000 0.000 0.208 308 R C 0.875 177.187 176.300 0.019 0.000 1.033 308 R CA 0.342 56.450 56.100 0.013 0.000 1.000 308 R CB 0.193 30.515 30.300 0.036 0.000 0.906 308 R HN -0.074 nan 8.270 nan 0.000 0.462 309 A N 1.198 124.034 122.820 0.026 0.000 2.454 309 A HA 0.570 4.890 4.320 -0.000 0.000 0.260 309 A C -0.273 177.312 177.584 0.001 0.000 1.106 309 A CA 0.109 52.159 52.037 0.022 0.000 0.780 309 A CB 0.323 19.343 19.000 0.032 0.000 1.044 309 A HN 0.305 nan 8.150 nan 0.000 0.498 310 A N 2.469 125.284 122.820 -0.009 0.000 2.612 310 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 310 A C -0.736 176.829 177.584 -0.031 0.000 1.075 310 A CA -0.778 51.246 52.037 -0.023 0.000 0.680 310 A CB 1.102 20.079 19.000 -0.039 0.000 1.279 310 A HN 0.877 nan 8.150 nan 0.000 0.411 311 K N 1.831 122.214 120.400 -0.029 0.000 2.281 311 K HA 0.567 4.887 4.320 -0.000 0.000 0.272 311 K C -0.506 176.074 176.600 -0.034 0.000 1.048 311 K CA -0.262 56.005 56.287 -0.033 0.000 0.898 311 K CB 0.391 32.885 32.500 -0.010 0.000 1.128 311 K HN 0.604 nan 8.250 nan 0.000 0.460 312 M N 3.217 122.791 119.600 -0.043 0.000 2.250 312 M HA 0.175 4.655 4.480 -0.000 0.000 0.344 312 M C 0.234 176.547 176.300 0.021 0.000 1.150 312 M CA -0.607 54.682 55.300 -0.017 0.000 1.147 312 M CB 0.362 32.960 32.600 -0.004 0.000 1.498 312 M HN 0.746 nan 8.290 nan 0.000 0.461 313 N N 1.121 119.856 118.700 0.059 0.000 2.347 313 N HA 0.068 4.808 4.740 -0.000 0.000 0.253 313 N C 0.176 175.739 175.510 0.088 0.000 1.274 313 N CA -0.279 52.815 53.050 0.074 0.000 0.941 313 N CB 0.419 38.957 38.487 0.084 0.000 1.200 313 N HN 0.415 nan 8.380 nan 0.000 0.514 314 D N -0.436 120.001 120.400 0.061 0.000 2.149 314 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 314 D C 1.662 177.982 176.300 0.034 0.000 0.990 314 D CA 1.732 55.758 54.000 0.043 0.000 0.839 314 D CB -0.496 40.320 40.800 0.027 0.000 0.948 314 D HN 0.716 nan 8.370 nan 0.000 0.460 315 A N -0.234 122.611 122.820 0.041 0.000 1.933 315 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 315 A C 1.751 179.264 177.584 -0.117 0.000 1.175 315 A CA 0.854 52.870 52.037 -0.035 0.000 0.628 315 A CB -0.691 18.292 19.000 -0.027 0.000 0.814 315 A HN 0.192 nan 8.150 nan 0.000 0.444 316 F N -1.277 118.662 119.950 -0.018 0.000 2.732 316 F HA 0.368 4.895 4.527 -0.000 0.000 0.303 316 F C 1.754 177.533 175.800 -0.034 0.000 1.110 316 F CA 0.844 58.829 58.000 -0.024 0.000 1.355 316 F CB 0.768 39.753 39.000 -0.024 0.000 1.081 316 F HN 0.385 nan 8.300 nan 0.000 0.565 317 G N -0.959 107.893 108.800 0.085 0.000 2.545 317 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.195 317 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.195 317 G C 1.157 176.076 174.900 0.032 0.000 1.009 317 G CA -0.251 44.871 45.100 0.038 0.000 0.703 317 G HN 0.846 nan 8.290 nan 0.000 0.479 318 G N -0.208 108.615 108.800 0.039 0.000 2.175 318 G HA2 0.203 4.163 3.960 -0.000 0.000 0.244 318 G HA3 0.203 4.163 3.960 -0.000 0.000 0.244 318 G C 1.566 176.432 174.900 -0.056 0.000 0.982 318 G CA 1.055 46.169 45.100 0.022 0.000 0.641 318 G HN 2.053 nan 8.290 nan 0.000 0.527 319 G N -0.500 108.234 108.800 -0.110 0.000 2.647 319 G HA2 0.573 4.533 3.960 -0.000 0.000 0.271 319 G HA3 0.573 4.533 3.960 -0.000 0.000 0.271 319 G C 0.235 174.921 174.900 -0.357 0.000 1.300 319 G CA 1.130 46.050 45.100 -0.301 0.000 0.997 319 G HN 1.712 nan 8.290 nan 0.000 0.533 320 S N -1.739 113.721 115.700 -0.400 0.000 2.542 320 S HA 0.450 4.920 4.470 -0.000 0.000 0.276 320 S C -1.886 172.668 174.600 -0.076 0.000 1.148 320 S CA -0.692 57.381 58.200 -0.211 0.000 0.886 320 S CB 1.507 64.596 63.200 -0.185 0.000 1.109 320 S HN 0.982 nan 8.310 nan 0.000 0.458 321 L N 3.697 124.909 121.223 -0.019 0.000 2.356 321 L HA 0.785 5.125 4.340 -0.000 0.000 0.277 321 L C -0.597 176.281 176.870 0.013 0.000 0.996 321 L CA 0.285 55.137 54.840 0.020 0.000 0.822 321 L CB 1.748 43.830 42.059 0.039 0.000 1.256 321 L HN 0.780 nan 8.230 nan 0.000 0.413 322 T N 4.390 118.951 114.554 0.011 0.000 2.797 322 T HA 0.819 5.168 4.350 -0.000 0.000 0.279 322 T C -0.362 174.325 174.700 -0.022 0.000 0.991 322 T CA -0.343 61.757 62.100 0.000 0.000 0.979 322 T CB 1.429 70.299 68.868 0.003 0.000 0.943 322 T HN 0.801 nan 8.240 nan 0.000 0.444 323 A N 3.597 126.409 122.820 -0.014 0.000 2.288 323 A HA 0.742 5.062 4.320 -0.000 0.000 0.320 323 A C -0.392 177.170 177.584 -0.037 0.000 1.217 323 A CA -0.674 51.349 52.037 -0.024 0.000 0.840 323 A CB 0.324 19.370 19.000 0.076 0.000 1.179 323 A HN 0.878 nan 8.150 nan 0.000 0.504 324 L N 5.216 126.387 121.223 -0.088 0.000 2.387 324 L HA 0.330 4.670 4.340 -0.000 0.000 0.259 324 L C -2.284 174.550 176.870 -0.060 0.000 1.050 324 L CA -1.791 53.010 54.840 -0.065 0.000 0.922 324 L CB 1.649 43.671 42.059 -0.061 0.000 1.280 324 L HN 0.515 nan 8.230 nan 0.000 0.449 325 P HA 0.191 nan 4.420 nan 0.000 0.277 325 P C -0.643 176.625 177.300 -0.054 0.000 1.240 325 P CA -0.256 62.869 63.100 0.041 0.000 0.798 325 P CB 2.219 33.914 31.700 -0.008 0.000 0.979 326 V N 4.093 123.967 119.914 -0.066 0.000 2.495 326 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 326 V C 0.195 176.231 176.094 -0.097 0.000 1.031 326 V CA -0.614 61.639 62.300 -0.078 0.000 0.871 326 V CB 1.726 33.517 31.823 -0.055 0.000 0.988 326 V HN 0.423 nan 8.190 nan 0.000 0.432 327 I N 3.654 124.165 120.570 -0.098 0.000 2.436 327 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 327 I C 0.085 176.171 176.117 -0.050 0.000 1.010 327 I CA -0.448 60.801 61.300 -0.086 0.000 1.098 327 I CB 1.948 39.885 38.000 -0.104 0.000 1.266 327 I HN 0.761 nan 8.210 nan 0.000 0.434 328 E N 5.368 125.554 120.200 -0.023 0.000 2.081 328 E HA 0.306 4.656 4.350 -0.000 0.000 0.281 328 E C -0.313 176.298 176.600 0.019 0.000 0.986 328 E CA -0.420 55.980 56.400 -0.000 0.000 0.796 328 E CB 0.827 30.533 29.700 0.010 0.000 1.085 328 E HN 0.684 nan 8.360 nan 0.000 0.398 329 T N 2.280 116.850 114.554 0.027 0.000 2.828 329 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 329 T C 0.058 174.789 174.700 0.051 0.000 1.019 329 T CA -0.859 61.270 62.100 0.049 0.000 1.031 329 T CB 1.124 70.034 68.868 0.070 0.000 1.001 329 T HN 0.375 nan 8.240 nan 0.000 0.531 330 Q N 0.412 120.248 119.800 0.060 0.000 2.339 330 Q HA 0.520 4.860 4.340 -0.000 0.000 0.268 330 Q C 0.205 176.238 176.000 0.055 0.000 1.027 330 Q CA -0.359 55.478 55.803 0.056 0.000 0.759 330 Q CB 1.388 30.163 28.738 0.061 0.000 1.244 330 Q HN 1.198 nan 8.270 nan 0.000 0.464 331 A N 2.173 125.023 122.820 0.050 0.000 2.687 331 A HA -0.135 4.185 4.320 -0.000 0.000 0.299 331 A C 1.096 178.713 177.584 0.055 0.000 1.497 331 A CA 1.252 53.319 52.037 0.049 0.000 0.751 331 A CB -2.128 16.898 19.000 0.043 0.000 1.048 331 A HN 1.561 nan 8.150 nan 0.000 0.464 332 G N -0.962 107.876 108.800 0.064 0.000 2.198 332 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.260 332 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.260 332 G C -0.078 174.869 174.900 0.078 0.000 1.025 332 G CA 0.971 46.116 45.100 0.075 0.000 0.769 332 G HN 1.614 nan 8.290 nan 0.000 0.507 333 D N 0.427 120.873 120.400 0.078 0.000 2.494 333 D HA 0.402 5.042 4.640 -0.000 0.000 0.217 333 D C 1.856 178.215 176.300 0.098 0.000 1.153 333 D CA 0.177 54.224 54.000 0.080 0.000 0.954 333 D CB 0.485 41.330 40.800 0.074 0.000 1.034 333 D HN 0.508 nan 8.370 nan 0.000 0.518 334 V N 0.899 120.885 119.914 0.119 0.000 3.141 334 V HA -0.035 4.085 4.120 -0.000 0.000 0.265 334 V C 1.625 177.793 176.094 0.124 0.000 1.126 334 V CA 0.942 63.335 62.300 0.155 0.000 1.141 334 V CB -0.239 31.737 31.823 0.256 0.000 0.743 334 V HN 0.263 nan 8.190 nan 0.000 0.492 335 S N 0.477 116.238 115.700 0.103 0.000 2.528 335 S HA 0.509 4.979 4.470 -0.000 0.000 0.219 335 S C 1.317 175.986 174.600 0.114 0.000 0.985 335 S CA 0.367 58.626 58.200 0.099 0.000 0.914 335 S CB -0.185 63.062 63.200 0.079 0.000 0.776 335 S HN 0.905 nan 8.310 nan 0.000 0.526 336 A N 0.565 123.455 122.820 0.115 0.000 2.492 336 A HA 0.237 4.557 4.320 -0.000 0.000 0.236 336 A C 0.813 178.507 177.584 0.183 0.000 1.078 336 A CA -0.050 52.073 52.037 0.143 0.000 0.773 336 A CB -0.233 18.844 19.000 0.128 0.000 1.023 336 A HN 0.488 nan 8.150 nan 0.000 0.504 337 Y N 1.055 121.388 120.300 0.055 0.000 1.993 337 Y HA -0.301 4.248 4.550 -0.000 0.000 0.267 337 Y C 1.955 177.855 175.900 -0.001 0.000 1.155 337 Y CA 2.370 60.489 58.100 0.030 0.000 1.105 337 Y CB -0.230 38.250 38.460 0.034 0.000 0.960 337 Y HN 0.587 nan 8.280 nan 0.000 0.486 338 I N 0.210 120.685 120.570 -0.157 0.000 2.179 338 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 338 I C -0.944 175.111 176.117 -0.102 0.000 1.088 338 I CA 1.489 62.644 61.300 -0.242 0.000 1.357 338 I CB -1.699 36.169 38.000 -0.220 0.000 1.051 338 I HN 0.196 nan 8.210 nan 0.000 0.409 339 P HA -0.188 nan 4.420 nan 0.000 0.215 339 P C 1.876 179.184 177.300 0.012 0.000 1.163 339 P CA 1.876 64.973 63.100 -0.005 0.000 0.894 339 P CB -0.221 31.504 31.700 0.042 0.000 0.791 340 T N -1.013 113.563 114.554 0.037 0.000 2.759 340 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 340 T C 1.593 176.326 174.700 0.055 0.000 1.042 340 T CA 1.527 63.666 62.100 0.065 0.000 1.140 340 T CB -0.769 68.165 68.868 0.109 0.000 0.864 340 T HN 0.095 nan 8.240 nan 0.000 0.455 341 N N 0.725 119.418 118.700 -0.011 0.000 2.047 341 N HA -0.053 4.687 4.740 -0.000 0.000 0.193 341 N C 1.996 177.538 175.510 0.053 0.000 1.055 341 N CA 1.107 54.203 53.050 0.078 0.000 0.847 341 N CB -0.978 37.472 38.487 -0.061 0.000 1.038 341 N HN 0.188 nan 8.380 nan 0.000 0.427 342 V N 1.730 121.618 119.914 -0.042 0.000 2.469 342 V HA -0.158 3.962 4.120 -0.000 0.000 0.251 342 V C 2.227 178.286 176.094 -0.057 0.000 1.064 342 V CA 1.092 63.334 62.300 -0.097 0.000 1.066 342 V CB -0.594 31.128 31.823 -0.168 0.000 0.667 342 V HN 0.260 nan 8.190 nan 0.000 0.461 343 I N 1.262 121.820 120.570 -0.021 0.000 2.208 343 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 343 I C 2.676 178.820 176.117 0.044 0.000 1.097 343 I CA 2.019 63.324 61.300 0.008 0.000 1.363 343 I CB -0.399 37.634 38.000 0.055 0.000 1.051 343 I HN 0.518 nan 8.210 nan 0.000 0.413 344 S N 0.553 116.303 115.700 0.084 0.000 2.453 344 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 344 S C 1.860 176.531 174.600 0.119 0.000 1.005 344 S CA 0.588 58.864 58.200 0.126 0.000 0.949 344 S CB -0.414 62.903 63.200 0.194 0.000 0.774 344 S HN 0.383 nan 8.310 nan 0.000 0.510 345 I N 2.256 122.861 120.570 0.058 0.000 2.339 345 I HA -0.006 4.164 4.170 -0.000 0.000 0.245 345 I C 1.521 177.630 176.117 -0.012 0.000 1.096 345 I CA 0.867 62.163 61.300 -0.007 0.000 1.408 345 I CB -0.703 37.209 38.000 -0.146 0.000 1.092 345 I HN 0.390 nan 8.210 nan 0.000 0.423 346 T N -1.362 113.177 114.554 -0.026 0.000 2.748 346 T HA 0.018 4.368 4.350 -0.000 0.000 0.304 346 T C 0.563 175.261 174.700 -0.003 0.000 1.041 346 T CA -0.390 61.694 62.100 -0.026 0.000 1.033 346 T CB 0.648 69.488 68.868 -0.048 0.000 0.995 346 T HN 0.105 nan 8.240 nan 0.000 0.536 347 D N 0.165 120.563 120.400 -0.004 0.000 2.350 347 D HA 0.281 4.920 4.640 -0.000 0.000 0.213 347 D C 0.979 177.286 176.300 0.011 0.000 1.031 347 D CA 0.478 54.483 54.000 0.008 0.000 0.861 347 D CB 0.237 41.040 40.800 0.006 0.000 0.926 347 D HN 0.865 nan 8.370 nan 0.000 0.520 348 G N -0.031 108.770 108.800 0.000 0.000 2.368 348 G HA2 0.407 4.367 3.960 -0.000 0.000 0.293 348 G HA3 0.407 4.367 3.960 -0.000 0.000 0.293 348 G C -1.911 172.968 174.900 -0.035 0.000 1.467 348 G CA -0.751 44.352 45.100 0.006 0.000 0.804 348 G HN -0.105 nan 8.290 nan 0.000 0.535 349 Q N -0.602 119.174 119.800 -0.039 0.000 2.331 349 Q HA 0.652 4.992 4.340 -0.000 0.000 0.272 349 Q C -0.630 175.277 176.000 -0.156 0.000 1.062 349 Q CA -0.436 55.251 55.803 -0.193 0.000 0.806 349 Q CB 2.885 31.389 28.738 -0.389 0.000 1.312 349 Q HN 0.551 nan 8.270 nan 0.000 0.431 350 I N 2.839 123.279 120.570 -0.217 0.000 2.330 350 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 350 I C -0.865 175.143 176.117 -0.182 0.000 1.025 350 I CA -0.507 60.732 61.300 -0.102 0.000 1.197 350 I CB 0.419 38.391 38.000 -0.047 0.000 1.358 350 I HN 0.463 nan 8.210 nan 0.000 0.467 351 F N 6.841 126.799 119.950 0.013 0.000 2.424 351 F HA 0.417 4.944 4.527 -0.000 0.000 0.356 351 F C 0.153 175.966 175.800 0.021 0.000 1.110 351 F CA -0.331 57.679 58.000 0.016 0.000 1.161 351 F CB 0.703 39.713 39.000 0.017 0.000 1.115 351 F HN 0.209 nan 8.300 nan 0.000 0.507 352 L N 3.912 125.228 121.223 0.155 0.000 2.325 352 L HA 0.564 4.904 4.340 -0.000 0.000 0.278 352 L C -0.433 176.511 176.870 0.123 0.000 1.023 352 L CA -0.621 54.289 54.840 0.118 0.000 0.811 352 L CB 1.663 43.764 42.059 0.069 0.000 1.249 352 L HN 0.551 nan 8.230 nan 0.000 0.431 353 E N 0.665 120.935 120.200 0.117 0.000 2.272 353 E HA 0.269 4.619 4.350 -0.000 0.000 0.269 353 E C -0.219 176.448 176.600 0.112 0.000 0.877 353 E CA -0.500 55.964 56.400 0.107 0.000 0.755 353 E CB 2.420 32.180 29.700 0.101 0.000 1.192 353 E HN 0.566 nan 8.360 nan 0.000 0.422 354 T N 1.619 116.234 114.554 0.102 0.000 2.674 354 T HA -0.221 4.129 4.350 -0.000 0.000 0.265 354 T C 1.579 176.417 174.700 0.231 0.000 1.039 354 T CA 1.939 64.118 62.100 0.132 0.000 1.150 354 T CB -0.133 68.825 68.868 0.151 0.000 0.864 354 T HN 0.673 nan 8.240 nan 0.000 0.427 355 E N 1.610 121.929 120.200 0.199 0.000 2.153 355 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 355 E C 2.194 178.900 176.600 0.176 0.000 0.988 355 E CA 0.838 57.362 56.400 0.207 0.000 0.811 355 E CB -0.664 29.118 29.700 0.136 0.000 0.746 355 E HN 0.396 nan 8.360 nan 0.000 0.466 356 L N 0.074 121.378 121.223 0.136 0.000 1.989 356 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 356 L C 2.644 179.567 176.870 0.088 0.000 1.071 356 L CA 1.755 56.656 54.840 0.100 0.000 0.749 356 L CB -0.682 41.429 42.059 0.086 0.000 0.890 356 L HN 0.159 nan 8.230 nan 0.000 0.431 357 F N 0.003 119.909 119.950 -0.073 0.000 2.115 357 F HA -0.331 4.196 4.527 -0.000 0.000 0.300 357 F C 2.203 177.859 175.800 -0.241 0.000 1.092 357 F CA 1.864 59.734 58.000 -0.216 0.000 1.245 357 F CB -0.244 38.519 39.000 -0.395 0.000 0.995 357 F HN -0.011 nan 8.300 nan 0.000 0.481 358 Y N -0.910 119.537 120.300 0.246 0.000 2.510 358 Y HA 0.074 4.624 4.550 -0.000 0.000 0.273 358 Y C 2.052 177.986 175.900 0.056 0.000 1.119 358 Y CA 0.282 58.475 58.100 0.156 0.000 1.286 358 Y CB -0.212 38.354 38.460 0.177 0.000 1.061 358 Y HN -0.115 nan 8.280 nan 0.000 0.542 359 K N -0.413 120.085 120.400 0.163 0.000 2.439 359 K HA 0.044 4.364 4.320 -0.000 0.000 0.197 359 K C 1.430 178.051 176.600 0.035 0.000 1.041 359 K CA 0.935 57.279 56.287 0.095 0.000 0.970 359 K CB 0.007 32.557 32.500 0.083 0.000 0.773 359 K HN 0.506 nan 8.250 nan 0.000 0.479 360 G N 0.643 109.428 108.800 -0.025 0.000 2.699 360 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.198 360 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.198 360 G C 0.061 174.886 174.900 -0.124 0.000 1.033 360 G CA -0.420 44.636 45.100 -0.073 0.000 0.728 360 G HN 0.089 nan 8.290 nan 0.000 0.484 361 I N 2.720 123.240 120.570 -0.083 0.000 2.886 361 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 361 I C 0.648 176.673 176.117 -0.152 0.000 1.157 361 I CA 0.860 62.114 61.300 -0.077 0.000 1.472 361 I CB -1.250 36.741 38.000 -0.014 0.000 1.492 361 I HN 0.215 nan 8.210 nan 0.000 0.652 362 R N 7.469 127.856 120.500 -0.188 0.000 2.502 362 R HA 0.430 4.770 4.340 -0.000 0.000 0.300 362 R C -2.444 173.781 176.300 -0.126 0.000 0.984 362 R CA -1.536 54.422 56.100 -0.237 0.000 0.882 362 R CB 2.434 32.478 30.300 -0.426 0.000 1.180 362 R HN 0.287 nan 8.270 nan 0.000 0.444 363 P HA 0.021 nan 4.420 nan 0.000 0.272 363 P C -0.376 176.917 177.300 -0.011 0.000 1.223 363 P CA -0.165 62.911 63.100 -0.039 0.000 0.784 363 P CB 1.031 32.723 31.700 -0.012 0.000 0.923 364 A N 3.099 125.952 122.820 0.055 0.000 2.503 364 A HA 0.185 4.505 4.320 -0.000 0.000 0.263 364 A C 0.899 178.534 177.584 0.085 0.000 1.360 364 A CA -0.376 51.712 52.037 0.085 0.000 0.969 364 A CB -1.392 17.733 19.000 0.208 0.000 1.000 364 A HN 0.474 nan 8.150 nan 0.000 0.530 365 I N 1.294 121.902 120.570 0.064 0.000 2.668 365 I HA -0.063 4.107 4.170 -0.000 0.000 0.285 365 I C 0.694 176.860 176.117 0.083 0.000 1.168 365 I CA -0.119 61.227 61.300 0.077 0.000 1.424 365 I CB 0.293 38.327 38.000 0.058 0.000 1.377 365 I HN 0.290 nan 8.210 nan 0.000 0.560 366 N N 6.872 125.640 118.700 0.112 0.000 2.421 366 N HA 0.035 4.775 4.740 -0.000 0.000 0.260 366 N C 0.786 176.348 175.510 0.086 0.000 1.173 366 N CA 0.085 53.188 53.050 0.089 0.000 0.960 366 N CB 1.134 39.669 38.487 0.080 0.000 1.273 366 N HN 0.455 nan 8.380 nan 0.000 0.497 367 V N 3.435 123.387 119.914 0.063 0.000 2.490 367 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 367 V C 2.228 178.349 176.094 0.046 0.000 1.061 367 V CA 2.232 64.566 62.300 0.056 0.000 1.064 367 V CB -0.665 31.186 31.823 0.047 0.000 0.670 367 V HN 0.746 nan 8.190 nan 0.000 0.461 368 G N -1.277 107.538 108.800 0.025 0.000 2.484 368 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.218 368 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.218 368 G C 1.472 176.363 174.900 -0.016 0.000 1.130 368 G CA 0.405 45.506 45.100 0.001 0.000 0.784 368 G HN 0.478 nan 8.290 nan 0.000 0.543 369 L N 0.307 121.516 121.223 -0.023 0.000 2.537 369 L HA 0.207 4.547 4.340 -0.000 0.000 0.224 369 L C 0.885 177.806 176.870 0.085 0.000 1.065 369 L CA -0.058 54.723 54.840 -0.098 0.000 0.860 369 L CB 0.223 42.067 42.059 -0.358 0.000 1.086 369 L HN 0.022 nan 8.230 nan 0.000 0.482 370 S N 0.576 116.407 115.700 0.219 0.000 2.576 370 S HA 0.375 4.845 4.470 -0.000 0.000 0.276 370 S C -0.176 174.525 174.600 0.169 0.000 1.339 370 S CA -0.487 57.897 58.200 0.305 0.000 1.039 370 S CB 1.528 64.856 63.200 0.213 0.000 0.902 370 S HN 0.120 nan 8.310 nan 0.000 0.516 371 V N -0.747 119.256 119.914 0.148 0.000 3.049 371 V HA 0.867 4.987 4.120 -0.000 0.000 0.309 371 V C -0.475 175.654 176.094 0.058 0.000 1.148 371 V CA -0.707 61.648 62.300 0.092 0.000 0.990 371 V CB 2.047 33.927 31.823 0.095 0.000 1.039 371 V HN 0.662 nan 8.190 nan 0.000 0.430 372 S N 0.945 116.670 115.700 0.042 0.000 2.707 372 S HA 0.516 4.986 4.470 -0.000 0.000 0.303 372 S C 0.650 175.266 174.600 0.027 0.000 1.132 372 S CA -0.709 57.508 58.200 0.028 0.000 1.046 372 S CB 1.557 64.770 63.200 0.021 0.000 1.004 372 S HN 0.839 nan 8.310 nan 0.000 0.483 373 R N 2.360 122.875 120.500 0.026 0.000 2.115 373 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 373 R C 1.755 178.065 176.300 0.018 0.000 1.100 373 R CA 0.927 57.041 56.100 0.024 0.000 0.980 373 R CB -0.247 30.068 30.300 0.025 0.000 0.875 373 R HN 0.498 nan 8.270 nan 0.000 0.445 374 V N 0.509 120.432 119.914 0.015 0.000 2.295 374 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 374 V C 1.865 177.966 176.094 0.012 0.000 1.049 374 V CA 1.893 64.200 62.300 0.012 0.000 1.024 374 V CB -1.017 30.811 31.823 0.009 0.000 0.648 374 V HN 0.712 nan 8.190 nan 0.000 0.447 375 G N -0.175 108.633 108.800 0.013 0.000 2.672 375 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.324 375 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.324 375 G C 1.242 176.148 174.900 0.011 0.000 1.286 375 G CA 0.984 46.092 45.100 0.014 0.000 1.004 375 G HN 0.412 nan 8.290 nan 0.000 0.548 376 S N 0.453 116.160 115.700 0.011 0.000 2.400 376 S HA -0.125 4.345 4.470 -0.000 0.000 0.234 376 S C 2.539 177.143 174.600 0.006 0.000 1.049 376 S CA 2.261 60.466 58.200 0.009 0.000 1.039 376 S CB -0.657 62.548 63.200 0.009 0.000 0.856 376 S HN 1.753 nan 8.310 nan 0.000 0.465 377 A N -0.603 122.220 122.820 0.006 0.000 2.247 377 A HA 0.502 4.822 4.320 -0.000 0.000 0.205 377 A C 1.229 178.814 177.584 0.001 0.000 1.261 377 A CA 0.986 53.026 52.037 0.004 0.000 0.853 377 A CB -0.476 18.527 19.000 0.006 0.000 0.793 377 A HN 0.545 nan 8.150 nan 0.000 0.487 378 A N -1.404 121.416 122.820 0.000 0.000 2.716 378 A HA 0.319 4.638 4.320 -0.000 0.000 0.252 378 A C 0.373 177.953 177.584 -0.007 0.000 1.144 378 A CA -0.288 51.745 52.037 -0.006 0.000 0.995 378 A CB 0.195 19.192 19.000 -0.005 0.000 1.252 378 A HN 0.461 nan 8.150 nan 0.000 0.593 379 Q N 1.236 121.035 119.800 -0.001 0.000 2.230 379 Q HA 0.436 4.776 4.340 -0.000 0.000 0.248 379 Q C 0.024 176.023 176.000 -0.001 0.000 0.915 379 Q CA -0.184 55.620 55.803 0.001 0.000 0.900 379 Q CB 1.337 30.080 28.738 0.008 0.000 1.229 379 Q HN 0.500 nan 8.270 nan 0.000 0.439 380 T N -1.094 113.460 114.554 -0.000 0.000 2.918 380 T HA 0.171 4.520 4.350 -0.000 0.000 0.302 380 T C 0.968 175.673 174.700 0.008 0.000 1.045 380 T CA -0.508 61.593 62.100 0.000 0.000 1.114 380 T CB 0.958 69.827 68.868 0.002 0.000 0.965 380 T HN 0.576 nan 8.240 nan 0.000 0.540 381 R N 1.478 121.982 120.500 0.007 0.000 2.133 381 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 381 R C 2.703 179.015 176.300 0.020 0.000 1.151 381 R CA 1.662 57.769 56.100 0.012 0.000 0.971 381 R CB -0.894 29.412 30.300 0.010 0.000 0.866 381 R HN 0.876 nan 8.270 nan 0.000 0.447 382 A N 0.612 123.446 122.820 0.024 0.000 1.877 382 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 382 A C 2.078 179.687 177.584 0.042 0.000 1.186 382 A CA 1.535 53.594 52.037 0.037 0.000 0.620 382 A CB -0.423 18.599 19.000 0.036 0.000 0.822 382 A HN 0.228 nan 8.150 nan 0.000 0.443 383 M N 0.076 119.696 119.600 0.034 0.000 2.086 383 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 383 M C 1.911 178.227 176.300 0.026 0.000 1.067 383 M CA 2.062 57.382 55.300 0.033 0.000 1.116 383 M CB -0.687 31.930 32.600 0.028 0.000 1.348 383 M HN 0.409 nan 8.290 nan 0.000 0.407 384 K N -0.683 119.729 120.400 0.020 0.000 2.218 384 K HA -0.258 4.061 4.320 -0.000 0.000 0.205 384 K C 2.150 178.758 176.600 0.013 0.000 1.046 384 K CA 1.785 58.080 56.287 0.015 0.000 0.933 384 K CB -0.129 32.378 32.500 0.012 0.000 0.728 384 K HN 0.599 nan 8.250 nan 0.000 0.454 385 Q N -0.067 119.744 119.800 0.019 0.000 2.020 385 Q HA -0.123 4.216 4.340 -0.000 0.000 0.198 385 Q C 2.039 178.043 176.000 0.006 0.000 0.974 385 Q CA 1.783 57.596 55.803 0.015 0.000 0.829 385 Q CB 0.201 28.956 28.738 0.028 0.000 0.894 385 Q HN 0.322 nan 8.270 nan 0.000 0.433 386 V N -1.912 118.012 119.914 0.017 0.000 2.591 386 V HA 0.013 4.133 4.120 -0.000 0.000 0.249 386 V C 2.141 178.233 176.094 -0.002 0.000 1.053 386 V CA 1.351 63.653 62.300 0.003 0.000 1.068 386 V CB -1.228 30.615 31.823 0.034 0.000 0.689 386 V HN 0.333 nan 8.190 nan 0.000 0.462 387 A N 1.686 124.512 122.820 0.009 0.000 1.902 387 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 387 A C 2.382 179.967 177.584 0.001 0.000 1.181 387 A CA 2.005 54.047 52.037 0.007 0.000 0.623 387 A CB -1.457 17.551 19.000 0.013 0.000 0.818 387 A HN 0.642 nan 8.150 nan 0.000 0.443 388 G N -0.974 107.826 108.800 -0.001 0.000 2.418 388 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 388 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 388 G C 1.569 176.461 174.900 -0.012 0.000 1.158 388 G CA 1.672 46.770 45.100 -0.004 0.000 0.771 388 G HN 0.448 nan 8.290 nan 0.000 0.545 389 T N 0.795 115.335 114.554 -0.022 0.000 2.777 389 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 389 T C 2.290 176.969 174.700 -0.035 0.000 1.040 389 T CA 1.255 63.334 62.100 -0.036 0.000 1.141 389 T CB -0.163 68.669 68.868 -0.059 0.000 0.868 389 T HN 0.199 nan 8.240 nan 0.000 0.444 390 M N 0.711 120.293 119.600 -0.029 0.000 2.132 390 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 390 M C 2.420 178.714 176.300 -0.009 0.000 1.065 390 M CA 1.522 56.807 55.300 -0.026 0.000 1.122 390 M CB -0.157 32.431 32.600 -0.019 0.000 1.365 390 M HN 0.078 nan 8.290 nan 0.000 0.411 391 K N 0.270 120.669 120.400 -0.002 0.000 2.020 391 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 391 K C 1.904 178.509 176.600 0.009 0.000 1.050 391 K CA 1.887 58.178 56.287 0.007 0.000 0.929 391 K CB -0.438 32.066 32.500 0.007 0.000 0.714 391 K HN 0.324 nan 8.250 nan 0.000 0.443 392 L N 1.377 122.600 121.223 0.001 0.000 2.141 392 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 392 L C 1.894 178.767 176.870 0.006 0.000 1.094 392 L CA 1.661 56.502 54.840 0.002 0.000 0.763 392 L CB -0.137 41.919 42.059 -0.005 0.000 0.908 392 L HN 0.194 nan 8.230 nan 0.000 0.437 393 E N -0.778 119.421 120.200 -0.002 0.000 2.107 393 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 393 E C 2.226 178.848 176.600 0.036 0.000 0.982 393 E CA 1.065 57.464 56.400 -0.002 0.000 0.809 393 E CB -0.073 29.604 29.700 -0.039 0.000 0.756 393 E HN 0.496 nan 8.360 nan 0.000 0.459 394 L N 0.129 121.378 121.223 0.044 0.000 2.072 394 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 394 L C 2.461 179.409 176.870 0.129 0.000 1.079 394 L CA 0.818 55.726 54.840 0.113 0.000 0.752 394 L CB -0.277 41.828 42.059 0.077 0.000 0.906 394 L HN 0.147 nan 8.230 nan 0.000 0.436 395 A N -0.490 122.366 122.820 0.060 0.000 1.877 395 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 395 A C 2.185 179.780 177.584 0.018 0.000 1.186 395 A CA 1.678 53.731 52.037 0.027 0.000 0.620 395 A CB -0.543 18.465 19.000 0.014 0.000 0.822 395 A HN 0.436 nan 8.150 nan 0.000 0.443 396 Q N -2.143 117.678 119.800 0.035 0.000 2.135 396 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 396 Q C 1.959 177.987 176.000 0.047 0.000 0.981 396 Q CA 1.858 57.680 55.803 0.032 0.000 0.856 396 Q CB -0.334 28.426 28.738 0.036 0.000 0.902 396 Q HN 0.859 nan 8.270 nan 0.000 0.425 397 Y N 0.895 121.165 120.300 -0.050 0.000 2.163 397 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 397 Y C 2.008 177.853 175.900 -0.093 0.000 1.136 397 Y CA 1.487 59.547 58.100 -0.066 0.000 1.147 397 Y CB -0.103 38.323 38.460 -0.057 0.000 0.987 397 Y HN -0.122 nan 8.280 nan 0.000 0.509 398 R N 0.404 120.737 120.500 -0.277 0.000 2.127 398 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 398 R C 2.118 178.220 176.300 -0.329 0.000 1.134 398 R CA 1.769 57.650 56.100 -0.366 0.000 0.975 398 R CB -0.164 30.040 30.300 -0.161 0.000 0.865 398 R HN 0.581 nan 8.270 nan 0.000 0.447 399 E N -0.430 119.633 120.200 -0.228 0.000 2.106 399 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 399 E C 1.594 177.979 176.600 -0.359 0.000 0.984 399 E CA 1.404 57.693 56.400 -0.186 0.000 0.806 399 E CB 0.205 29.864 29.700 -0.068 0.000 0.750 399 E HN 0.200 nan 8.360 nan 0.000 0.458 400 V N 0.440 120.086 119.914 -0.445 0.000 3.590 400 V HA 0.137 4.257 4.120 -0.000 0.000 0.265 400 V C 2.090 177.649 176.094 -0.892 0.000 1.239 400 V CA 0.714 62.589 62.300 -0.710 0.000 1.117 400 V CB 0.113 31.815 31.823 -0.203 0.000 0.818 400 V HN 0.179 nan 8.190 nan 0.000 0.451 401 A N 1.180 123.559 122.820 -0.735 0.000 1.986 401 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 401 A C 2.385 179.717 177.584 -0.420 0.000 1.171 401 A CA 2.229 53.887 52.037 -0.631 0.000 0.640 401 A CB -0.526 18.024 19.000 -0.748 0.000 0.811 401 A HN 0.625 nan 8.150 nan 0.000 0.451 402 A N -0.577 121.918 122.820 -0.542 0.000 1.969 402 A HA 0.085 4.404 4.320 -0.000 0.000 0.218 402 A C 1.510 179.108 177.584 0.022 0.000 1.169 402 A CA 1.099 52.996 52.037 -0.233 0.000 0.635 402 A CB -0.704 18.219 19.000 -0.128 0.000 0.810 402 A HN 0.691 nan 8.150 nan 0.000 0.445 403 F N -1.272 118.703 119.950 0.041 0.000 2.713 403 F HA 0.522 5.049 4.527 -0.000 0.000 0.294 403 F C 1.853 177.712 175.800 0.098 0.000 1.152 403 F CA -0.080 57.974 58.000 0.089 0.000 1.385 403 F CB -0.207 38.825 39.000 0.053 0.000 0.981 403 F HN 0.187 nan 8.300 nan 0.000 0.514 404 A N 0.505 123.399 122.820 0.122 0.000 1.874 404 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 404 A C 2.100 179.743 177.584 0.099 0.000 1.189 404 A CA 0.942 53.039 52.037 0.100 0.000 0.615 404 A CB -0.322 18.721 19.000 0.071 0.000 0.830 404 A HN 0.440 nan 8.150 nan 0.000 0.443 405 Q N -2.200 117.666 119.800 0.111 0.000 2.360 405 Q HA 0.236 4.576 4.340 -0.000 0.000 0.202 405 Q C -0.607 175.281 176.000 -0.188 0.000 0.915 405 Q CA 0.158 55.949 55.803 -0.019 0.000 0.943 405 Q CB 0.245 28.969 28.738 -0.024 0.000 1.064 405 Q HN 0.638 nan 8.270 nan 0.000 0.511 406 F N -0.289 119.709 119.950 0.079 0.000 2.818 406 F HA 0.423 4.950 4.527 -0.000 0.000 0.369 406 F C 0.187 176.037 175.800 0.083 0.000 1.327 406 F CA -0.611 57.435 58.000 0.076 0.000 1.211 406 F CB 1.765 40.815 39.000 0.083 0.000 1.036 406 F HN -0.169 nan 8.300 nan 0.000 0.510 407 G N -0.516 108.384 108.800 0.167 0.000 2.513 407 G HA2 0.378 4.338 3.960 -0.000 0.000 0.282 407 G HA3 0.378 4.338 3.960 -0.000 0.000 0.282 407 G C 0.046 174.991 174.900 0.074 0.000 1.397 407 G CA -0.379 44.801 45.100 0.134 0.000 1.291 407 G HN 0.161 nan 8.290 nan 0.000 0.596 408 S N 0.784 116.515 115.700 0.051 0.000 2.514 408 S HA 0.091 4.561 4.470 -0.000 0.000 0.223 408 S C 0.822 175.441 174.600 0.031 0.000 1.046 408 S CA 0.376 58.594 58.200 0.031 0.000 0.914 408 S CB 0.493 63.702 63.200 0.016 0.000 0.807 408 S HN 0.438 nan 8.310 nan 0.000 0.497 409 D N 1.609 122.030 120.400 0.034 0.000 2.881 409 D HA 0.325 4.965 4.640 -0.000 0.000 0.240 409 D C -0.529 175.790 176.300 0.033 0.000 1.249 409 D CA -0.198 53.819 54.000 0.027 0.000 0.839 409 D CB -0.593 40.219 40.800 0.020 0.000 1.042 409 D HN 0.318 nan 8.370 nan 0.000 0.475 410 L N 1.084 122.333 121.223 0.044 0.000 2.397 410 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 410 L C 1.210 178.103 176.870 0.038 0.000 1.148 410 L CA -0.636 54.236 54.840 0.053 0.000 0.825 410 L CB 0.481 42.583 42.059 0.071 0.000 1.117 410 L HN 0.182 nan 8.230 nan 0.000 0.456 411 D N 2.030 122.452 120.400 0.037 0.000 2.384 411 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 411 D C 0.886 177.202 176.300 0.026 0.000 1.251 411 D CA -0.023 53.993 54.000 0.027 0.000 0.961 411 D CB 1.151 41.965 40.800 0.023 0.000 1.116 411 D HN 0.559 nan 8.370 nan 0.000 0.484 412 A N 0.410 123.240 122.820 0.018 0.000 1.877 412 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 412 A C 2.254 179.847 177.584 0.014 0.000 1.186 412 A CA 2.437 54.481 52.037 0.013 0.000 0.620 412 A CB -1.132 17.872 19.000 0.006 0.000 0.822 412 A HN 0.701 nan 8.150 nan 0.000 0.443 413 A N -0.563 122.267 122.820 0.017 0.000 1.969 413 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 413 A C 2.371 179.972 177.584 0.029 0.000 1.169 413 A CA 2.368 54.416 52.037 0.017 0.000 0.635 413 A CB -1.027 17.983 19.000 0.017 0.000 0.810 413 A HN 0.741 nan 8.150 nan 0.000 0.445 414 T N -3.527 111.053 114.554 0.045 0.000 3.009 414 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 414 T C 1.921 176.659 174.700 0.064 0.000 1.063 414 T CA 1.087 63.227 62.100 0.066 0.000 1.139 414 T CB -0.269 68.659 68.868 0.100 0.000 0.890 414 T HN 0.428 nan 8.240 nan 0.000 0.471 415 Q N 0.723 120.553 119.800 0.050 0.000 2.135 415 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 415 Q C 2.456 178.468 176.000 0.021 0.000 0.981 415 Q CA 1.958 57.785 55.803 0.040 0.000 0.856 415 Q CB -0.203 28.552 28.738 0.028 0.000 0.902 415 Q HN 0.676 nan 8.270 nan 0.000 0.425 416 Q N 0.166 119.972 119.800 0.010 0.000 2.079 416 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 416 Q C 1.757 177.749 176.000 -0.014 0.000 0.974 416 Q CA 1.475 57.271 55.803 -0.012 0.000 0.840 416 Q CB -0.312 28.415 28.738 -0.018 0.000 0.898 416 Q HN 0.494 nan 8.270 nan 0.000 0.430 417 L N -0.183 121.050 121.223 0.017 0.000 2.046 417 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 417 L C 2.394 179.306 176.870 0.070 0.000 1.077 417 L CA 1.155 56.019 54.840 0.041 0.000 0.747 417 L CB -0.523 41.579 42.059 0.073 0.000 0.896 417 L HN 0.286 nan 8.230 nan 0.000 0.432 418 L N -1.038 120.246 121.223 0.103 0.000 2.012 418 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 418 L C 2.689 179.526 176.870 -0.054 0.000 1.073 418 L CA 1.450 56.377 54.840 0.143 0.000 0.748 418 L CB -0.709 41.429 42.059 0.131 0.000 0.891 418 L HN 0.201 nan 8.230 nan 0.000 0.431 419 S N -0.477 115.187 115.700 -0.059 0.000 2.355 419 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 419 S C 2.038 176.537 174.600 -0.168 0.000 1.031 419 S CA 1.151 59.291 58.200 -0.101 0.000 0.993 419 S CB -0.338 62.822 63.200 -0.067 0.000 0.859 419 S HN 0.254 nan 8.310 nan 0.000 0.453 420 R N 1.868 122.271 120.500 -0.161 0.000 2.091 420 R HA -0.024 4.316 4.340 -0.000 0.000 0.238 420 R C 2.308 178.426 176.300 -0.302 0.000 1.136 420 R CA 1.857 57.844 56.100 -0.188 0.000 0.959 420 R CB -1.400 28.820 30.300 -0.134 0.000 0.856 420 R HN 0.401 nan 8.270 nan 0.000 0.437 421 G N -0.079 108.422 108.800 -0.497 0.000 2.480 421 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 421 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 421 G C 1.486 175.808 174.900 -0.964 0.000 1.200 421 G CA 1.603 46.046 45.100 -1.095 0.000 0.782 421 G HN 0.381 nan 8.290 nan 0.000 0.554 422 V N -0.723 118.737 119.914 -0.757 0.000 2.469 422 V HA -0.088 4.032 4.120 -0.000 0.000 0.251 422 V C 2.696 178.653 176.094 -0.229 0.000 1.064 422 V CA 2.236 64.325 62.300 -0.352 0.000 1.066 422 V CB -0.563 31.162 31.823 -0.163 0.000 0.667 422 V HN 0.134 nan 8.190 nan 0.000 0.461 423 R N 0.659 121.020 120.500 -0.232 0.000 2.061 423 R HA 0.144 4.484 4.340 -0.000 0.000 0.230 423 R C 2.289 178.497 176.300 -0.153 0.000 1.140 423 R CA 2.025 58.021 56.100 -0.173 0.000 0.940 423 R CB -1.409 28.786 30.300 -0.174 0.000 0.839 423 R HN 0.613 nan 8.270 nan 0.000 0.429 424 L N -0.147 120.972 121.223 -0.173 0.000 2.083 424 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 424 L C 2.192 179.004 176.870 -0.096 0.000 1.083 424 L CA 1.653 56.419 54.840 -0.124 0.000 0.752 424 L CB -0.773 41.213 42.059 -0.123 0.000 0.899 424 L HN 0.218 nan 8.230 nan 0.000 0.433 425 T N -0.777 113.703 114.554 -0.123 0.000 2.684 425 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 425 T C 1.808 176.480 174.700 -0.047 0.000 1.036 425 T CA 1.384 63.444 62.100 -0.065 0.000 1.148 425 T CB -0.145 68.686 68.868 -0.063 0.000 0.863 425 T HN 0.316 nan 8.240 nan 0.000 0.436 426 E N 0.936 121.099 120.200 -0.062 0.000 2.106 426 E HA 0.024 4.374 4.350 -0.000 0.000 0.192 426 E C 2.293 178.875 176.600 -0.030 0.000 0.984 426 E CA 0.574 56.949 56.400 -0.041 0.000 0.806 426 E CB -0.381 29.292 29.700 -0.045 0.000 0.750 426 E HN 0.467 nan 8.360 nan 0.000 0.458 427 L N 0.359 121.559 121.223 -0.039 0.000 2.275 427 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 427 L C 2.321 179.185 176.870 -0.009 0.000 1.119 427 L CA 0.533 55.361 54.840 -0.020 0.000 0.790 427 L CB -0.209 41.830 42.059 -0.032 0.000 0.919 427 L HN 0.104 nan 8.230 nan 0.000 0.443 428 L N -0.786 120.427 121.223 -0.016 0.000 2.418 428 L HA -0.037 4.302 4.340 -0.000 0.000 0.218 428 L C 1.081 177.944 176.870 -0.012 0.000 1.125 428 L CA 0.270 55.105 54.840 -0.008 0.000 0.835 428 L CB -0.138 41.918 42.059 -0.005 0.000 0.953 428 L HN 0.105 nan 8.230 nan 0.000 0.454 429 K N 0.950 121.338 120.400 -0.019 0.000 2.414 429 K HA 0.127 4.447 4.320 -0.000 0.000 0.272 429 K C -0.132 176.454 176.600 -0.024 0.000 0.993 429 K CA 0.531 56.800 56.287 -0.030 0.000 0.964 429 K CB 0.525 33.005 32.500 -0.034 0.000 0.925 429 K HN 0.010 nan 8.250 nan 0.000 0.487 430 Q N 0.012 119.789 119.800 -0.038 0.000 2.386 430 Q HA 0.292 4.632 4.340 -0.000 0.000 0.274 430 Q C -0.979 174.992 176.000 -0.049 0.000 1.011 430 Q CA -0.614 55.170 55.803 -0.032 0.000 0.867 430 Q CB 1.826 30.548 28.738 -0.025 0.000 1.409 430 Q HN 0.801 nan 8.270 nan 0.000 0.395 431 G N 1.522 110.302 108.800 -0.034 0.000 2.572 431 G HA2 0.177 4.137 3.960 -0.000 0.000 0.261 431 G HA3 0.177 4.137 3.960 -0.000 0.000 0.261 431 G C -0.551 174.306 174.900 -0.072 0.000 1.197 431 G CA -0.149 44.928 45.100 -0.040 0.000 0.870 431 G HN 0.568 nan 8.290 nan 0.000 0.548 432 Q N -0.952 118.778 119.800 -0.116 0.000 2.368 432 Q HA 0.218 4.557 4.340 -0.000 0.000 0.237 432 Q C -0.322 175.562 176.000 -0.193 0.000 0.987 432 Q CA -0.276 55.340 55.803 -0.312 0.000 0.896 432 Q CB 0.411 28.826 28.738 -0.537 0.000 1.241 432 Q HN 0.609 nan 8.270 nan 0.000 0.485 433 Y N -0.813 119.485 120.300 -0.002 0.000 3.721 433 Y HA -0.289 4.261 4.550 -0.000 0.000 0.218 433 Y C -0.244 175.649 175.900 -0.011 0.000 1.188 433 Y CA 0.538 58.633 58.100 -0.009 0.000 1.607 433 Y CB -2.308 36.145 38.460 -0.012 0.000 1.496 433 Y HN 0.415 nan 8.280 nan 0.000 0.626 434 S N -1.929 113.810 115.700 0.064 0.000 2.440 434 S HA 0.530 5.000 4.470 -0.000 0.000 0.142 434 S C -2.669 171.935 174.600 0.008 0.000 1.578 434 S CA -1.232 56.991 58.200 0.038 0.000 1.260 434 S CB 1.649 64.870 63.200 0.035 0.000 1.407 434 S HN -0.014 nan 8.310 nan 0.000 0.392 435 P HA 0.470 nan 4.420 nan 0.000 0.277 435 P C -0.583 176.703 177.300 -0.024 0.000 1.240 435 P CA -0.415 62.679 63.100 -0.009 0.000 0.798 435 P CB 0.533 32.228 31.700 -0.009 0.000 0.979 436 M N 1.136 120.725 119.600 -0.019 0.000 2.578 436 M HA 0.583 5.063 4.480 -0.000 0.000 0.321 436 M C 0.218 176.500 176.300 -0.030 0.000 1.182 436 M CA -0.942 54.343 55.300 -0.024 0.000 0.965 436 M CB 2.004 34.600 32.600 -0.007 0.000 1.694 436 M HN 0.298 nan 8.290 nan 0.000 0.461 437 A N 1.250 124.043 122.820 -0.045 0.000 2.386 437 A HA 0.228 4.547 4.320 -0.000 0.000 0.248 437 A C 0.889 178.479 177.584 0.009 0.000 1.082 437 A CA -0.356 51.659 52.037 -0.035 0.000 0.789 437 A CB 0.113 19.079 19.000 -0.056 0.000 1.025 437 A HN 0.923 nan 8.150 nan 0.000 0.490 438 I N 0.585 121.182 120.570 0.046 0.000 2.264 438 I HA -0.200 3.969 4.170 -0.000 0.000 0.248 438 I C 2.420 178.556 176.117 0.032 0.000 1.111 438 I CA 2.260 63.589 61.300 0.049 0.000 1.382 438 I CB -0.352 37.688 38.000 0.067 0.000 1.060 438 I HN 0.823 nan 8.210 nan 0.000 0.418 439 E N 0.161 120.373 120.200 0.020 0.000 2.072 439 E HA -0.249 4.100 4.350 -0.000 0.000 0.190 439 E C 1.907 178.507 176.600 -0.000 0.000 0.982 439 E CA 1.336 57.741 56.400 0.007 0.000 0.803 439 E CB -0.844 28.852 29.700 -0.008 0.000 0.755 439 E HN 0.591 nan 8.360 nan 0.000 0.453 440 E N 1.111 121.304 120.200 -0.011 0.000 2.097 440 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 440 E C 2.343 178.956 176.600 0.021 0.000 1.000 440 E CA 1.624 58.015 56.400 -0.015 0.000 0.804 440 E CB -0.068 29.614 29.700 -0.029 0.000 0.740 440 E HN 0.375 nan 8.360 nan 0.000 0.454 441 Q N 0.076 119.893 119.800 0.027 0.000 1.967 441 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 441 Q C 2.553 178.592 176.000 0.065 0.000 0.985 441 Q CA 1.763 57.591 55.803 0.043 0.000 0.839 441 Q CB -0.403 28.357 28.738 0.036 0.000 0.906 441 Q HN 0.300 nan 8.270 nan 0.000 0.423 442 V N 0.533 120.485 119.914 0.065 0.000 2.332 442 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 442 V C 2.102 178.282 176.094 0.143 0.000 1.055 442 V CA 2.231 64.588 62.300 0.094 0.000 1.038 442 V CB -0.918 30.956 31.823 0.085 0.000 0.651 442 V HN 0.413 nan 8.190 nan 0.000 0.450 443 A N 0.048 122.930 122.820 0.104 0.000 1.903 443 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 443 A C 2.612 180.346 177.584 0.250 0.000 1.191 443 A CA 3.077 55.188 52.037 0.124 0.000 0.638 443 A CB -1.276 17.754 19.000 0.050 0.000 0.823 443 A HN 1.165 nan 8.150 nan 0.000 0.451 444 V N -0.368 119.674 119.914 0.213 0.000 2.488 444 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 444 V C 2.181 178.346 176.094 0.117 0.000 1.046 444 V CA 1.984 64.399 62.300 0.192 0.000 1.053 444 V CB -0.494 31.426 31.823 0.162 0.000 0.679 444 V HN 0.521 nan 8.190 nan 0.000 0.458 445 I N -0.538 120.097 120.570 0.109 0.000 2.226 445 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 445 I C 2.438 178.608 176.117 0.088 0.000 1.100 445 I CA 2.368 63.709 61.300 0.069 0.000 1.374 445 I CB -0.679 37.353 38.000 0.054 0.000 1.057 445 I HN 0.479 nan 8.210 nan 0.000 0.413 446 Y N 1.874 122.189 120.300 0.024 0.000 2.102 446 Y HA -0.426 4.124 4.550 -0.000 0.000 0.280 446 Y C 2.598 178.523 175.900 0.042 0.000 1.178 446 Y CA 1.922 60.045 58.100 0.038 0.000 1.146 446 Y CB -0.253 38.251 38.460 0.073 0.000 0.968 446 Y HN 0.164 nan 8.280 nan 0.000 0.504 447 A N 0.044 123.042 122.820 0.297 0.000 1.865 447 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 447 A C 2.449 180.041 177.584 0.012 0.000 1.191 447 A CA 2.061 54.200 52.037 0.171 0.000 0.623 447 A CB -1.768 17.155 19.000 -0.129 0.000 0.826 447 A HN 0.625 nan 8.150 nan 0.000 0.444 448 G N -1.132 107.630 108.800 -0.063 0.000 2.403 448 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.216 448 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.216 448 G C 1.495 176.308 174.900 -0.146 0.000 1.154 448 G CA 1.052 46.080 45.100 -0.120 0.000 0.784 448 G HN 0.315 nan 8.290 nan 0.000 0.538 449 V N 0.816 120.645 119.914 -0.141 0.000 2.427 449 V HA -0.063 4.056 4.120 -0.000 0.000 0.248 449 V C 2.685 178.623 176.094 -0.259 0.000 1.051 449 V CA 1.371 63.564 62.300 -0.178 0.000 1.048 449 V CB -0.277 31.450 31.823 -0.159 0.000 0.666 449 V HN 0.219 nan 8.190 nan 0.000 0.456 450 R N -0.052 120.235 120.500 -0.354 0.000 2.310 450 R HA 0.197 4.537 4.340 -0.000 0.000 0.202 450 R C 1.551 177.520 176.300 -0.551 0.000 0.933 450 R CA 0.742 56.554 56.100 -0.481 0.000 1.054 450 R CB -0.347 29.576 30.300 -0.628 0.000 0.985 450 R HN 0.592 nan 8.270 nan 0.000 0.489 451 G N 0.654 109.217 108.800 -0.395 0.000 2.149 451 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.235 451 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.235 451 G C 0.455 175.165 174.900 -0.317 0.000 1.018 451 G CA 0.114 45.020 45.100 -0.323 0.000 0.728 451 G HN 0.436 nan 8.290 nan 0.000 0.508 452 Y N -0.457 119.757 120.300 -0.144 0.000 2.457 452 Y HA 0.267 4.816 4.550 -0.000 0.000 0.292 452 Y C 2.538 178.297 175.900 -0.234 0.000 1.125 452 Y CA 0.992 59.003 58.100 -0.149 0.000 1.254 452 Y CB 0.201 38.587 38.460 -0.124 0.000 1.012 452 Y HN 0.369 nan 8.280 nan 0.000 0.555 453 L N -0.469 120.658 121.223 -0.161 0.000 2.628 453 L HA 0.059 4.399 4.340 -0.000 0.000 0.229 453 L C 0.735 177.493 176.870 -0.187 0.000 1.137 453 L CA -0.055 54.617 54.840 -0.280 0.000 0.909 453 L CB -0.073 41.750 42.059 -0.393 0.000 1.137 453 L HN 0.096 nan 8.230 nan 0.000 0.470 454 D N 0.978 121.294 120.400 -0.140 0.000 2.144 454 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 454 D C 2.039 178.289 176.300 -0.084 0.000 0.984 454 D CA 1.235 55.166 54.000 -0.114 0.000 0.834 454 D CB 0.236 40.971 40.800 -0.109 0.000 0.955 454 D HN 0.176 nan 8.370 nan 0.000 0.465 455 K N -0.351 120.008 120.400 -0.067 0.000 2.323 455 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 455 K C 0.630 177.209 176.600 -0.035 0.000 1.043 455 K CA -0.338 55.925 56.287 -0.039 0.000 0.997 455 K CB 0.328 32.818 32.500 -0.016 0.000 0.807 455 K HN 0.106 nan 8.250 nan 0.000 0.497 456 L N 2.617 123.802 121.223 -0.064 0.000 2.453 456 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 456 L C 0.218 177.064 176.870 -0.040 0.000 1.182 456 L CA 0.316 55.126 54.840 -0.050 0.000 0.858 456 L CB 0.402 42.374 42.059 -0.144 0.000 1.120 456 L HN 0.028 nan 8.230 nan 0.000 0.474 457 E N 6.216 126.419 120.200 0.007 0.000 2.417 457 E HA 0.011 4.361 4.350 -0.000 0.000 0.261 457 E C -1.671 174.929 176.600 -0.001 0.000 1.000 457 E CA -1.276 55.128 56.400 0.008 0.000 0.919 457 E CB 0.971 30.690 29.700 0.031 0.000 0.955 457 E HN 0.528 nan 8.360 nan 0.000 0.455 458 P HA -0.201 nan 4.420 nan 0.000 0.218 458 P C 1.131 178.430 177.300 -0.000 0.000 1.146 458 P CA 1.257 64.341 63.100 -0.026 0.000 0.813 458 P CB 0.158 31.839 31.700 -0.030 0.000 0.778 459 S N -1.804 113.907 115.700 0.019 0.000 2.561 459 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 459 S C 1.545 176.186 174.600 0.067 0.000 0.977 459 S CA 0.669 58.891 58.200 0.035 0.000 0.926 459 S CB -0.557 62.663 63.200 0.033 0.000 0.769 459 S HN 0.119 nan 8.310 nan 0.000 0.533 460 K N 0.140 120.592 120.400 0.088 0.000 2.358 460 K HA 0.410 4.729 4.320 -0.000 0.000 0.200 460 K C 1.179 177.879 176.600 0.166 0.000 1.030 460 K CA -0.133 56.257 56.287 0.172 0.000 1.097 460 K CB 0.166 32.817 32.500 0.252 0.000 0.862 460 K HN 0.263 nan 8.250 nan 0.000 0.534 461 I N 1.122 121.732 120.570 0.067 0.000 2.286 461 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 461 I C 1.696 177.873 176.117 0.099 0.000 1.115 461 I CA 1.601 62.917 61.300 0.027 0.000 1.392 461 I CB -1.047 36.931 38.000 -0.037 0.000 1.065 461 I HN 0.137 nan 8.210 nan 0.000 0.418 462 T N 0.740 115.350 114.554 0.094 0.000 2.737 462 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 462 T C 2.034 176.817 174.700 0.138 0.000 1.038 462 T CA 1.323 63.480 62.100 0.094 0.000 1.144 462 T CB -0.109 68.799 68.868 0.066 0.000 0.866 462 T HN 0.270 nan 8.240 nan 0.000 0.434 463 K N -0.004 120.512 120.400 0.193 0.000 2.063 463 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 463 K C 2.124 178.901 176.600 0.295 0.000 1.048 463 K CA 1.362 57.814 56.287 0.275 0.000 0.928 463 K CB -0.325 32.404 32.500 0.381 0.000 0.713 463 K HN 0.359 nan 8.250 nan 0.000 0.442 464 F N 1.965 121.912 119.950 -0.004 0.000 2.075 464 F HA -0.199 4.327 4.527 -0.000 0.000 0.297 464 F C 2.381 178.115 175.800 -0.110 0.000 1.113 464 F CA 1.883 59.648 58.000 -0.391 0.000 1.218 464 F CB -0.238 38.372 39.000 -0.650 0.000 0.984 464 F HN 0.132 nan 8.300 nan 0.000 0.472 465 E N 0.173 120.481 120.200 0.179 0.000 2.118 465 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 465 E C 2.091 178.711 176.600 0.034 0.000 0.992 465 E CA 1.290 57.767 56.400 0.127 0.000 0.804 465 E CB -0.524 29.265 29.700 0.148 0.000 0.741 465 E HN 0.526 nan 8.360 nan 0.000 0.458 466 N N 0.018 118.746 118.700 0.047 0.000 2.142 466 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 466 N C 1.737 177.266 175.510 0.032 0.000 1.023 466 N CA 1.277 54.353 53.050 0.045 0.000 0.852 466 N CB -0.004 38.527 38.487 0.074 0.000 0.998 466 N HN 0.196 nan 8.380 nan 0.000 0.424 467 A N 0.265 123.118 122.820 0.056 0.000 1.898 467 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 467 A C 2.007 179.591 177.584 -0.000 0.000 1.183 467 A CA 0.540 52.669 52.037 0.153 0.000 0.622 467 A CB -0.925 18.306 19.000 0.385 0.000 0.824 467 A HN 0.407 nan 8.150 nan 0.000 0.444 468 F N 0.182 119.748 119.950 -0.639 0.000 2.102 468 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 468 F C 1.841 177.331 175.800 -0.518 0.000 1.105 468 F CA 1.798 59.105 58.000 -1.154 0.000 1.239 468 F CB -0.283 37.803 39.000 -1.523 0.000 0.991 468 F HN 0.183 nan 8.300 nan 0.000 0.474 469 L N -0.491 120.566 121.223 -0.277 0.000 2.056 469 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 469 L C 2.645 179.386 176.870 -0.215 0.000 1.078 469 L CA 1.832 56.527 54.840 -0.241 0.000 0.749 469 L CB -1.005 41.017 42.059 -0.061 0.000 0.901 469 L HN 0.148 nan 8.230 nan 0.000 0.433 470 S N -1.664 113.967 115.700 -0.115 0.000 2.383 470 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 470 S C 1.997 176.576 174.600 -0.035 0.000 1.030 470 S CA 1.480 59.651 58.200 -0.048 0.000 1.002 470 S CB -0.405 62.806 63.200 0.019 0.000 0.829 470 S HN 0.721 nan 8.310 nan 0.000 0.467 471 H N 1.255 120.222 119.070 -0.171 0.000 2.299 471 H HA -0.008 4.548 4.556 -0.000 0.000 0.302 471 H C 2.050 177.275 175.328 -0.171 0.000 1.078 471 H CA 2.031 58.005 56.048 -0.123 0.000 1.323 471 H CB -0.656 29.077 29.762 -0.049 0.000 1.381 471 H HN 0.244 nan 8.280 nan 0.000 0.498 472 V N -1.011 118.582 119.914 -0.536 0.000 2.759 472 V HA -0.092 4.028 4.120 -0.000 0.000 0.256 472 V C 2.327 178.256 176.094 -0.276 0.000 1.080 472 V CA 1.863 63.876 62.300 -0.479 0.000 1.101 472 V CB -0.826 30.629 31.823 -0.613 0.000 0.698 472 V HN 0.407 nan 8.190 nan 0.000 0.477 473 I N 0.331 120.765 120.570 -0.226 0.000 2.617 473 I HA -0.102 4.068 4.170 -0.000 0.000 0.256 473 I C 2.745 178.784 176.117 -0.131 0.000 1.167 473 I CA 1.477 62.688 61.300 -0.149 0.000 1.469 473 I CB -0.030 37.901 38.000 -0.114 0.000 1.098 473 I HN 0.397 nan 8.210 nan 0.000 0.436 474 S N -0.119 115.500 115.700 -0.135 0.000 2.348 474 S HA -0.117 4.353 4.470 -0.000 0.000 0.219 474 S C 1.889 176.396 174.600 -0.155 0.000 1.033 474 S CA 1.327 59.465 58.200 -0.103 0.000 0.974 474 S CB 0.103 63.282 63.200 -0.035 0.000 0.868 474 S HN 0.422 nan 8.310 nan 0.000 0.459 475 Q N -1.228 118.411 119.800 -0.269 0.000 2.442 475 Q HA 0.163 4.503 4.340 -0.000 0.000 0.228 475 Q C 0.005 175.684 176.000 -0.535 0.000 0.902 475 Q CA 0.330 55.889 55.803 -0.407 0.000 0.933 475 Q CB 0.358 28.786 28.738 -0.516 0.000 1.071 475 Q HN 0.596 nan 8.270 nan 0.000 0.562 476 H N 0.334 119.242 119.070 -0.269 0.000 2.498 476 H HA 0.110 4.666 4.556 -0.000 0.000 0.239 476 H C 0.653 175.874 175.328 -0.178 0.000 1.586 476 H CA -0.180 55.733 56.048 -0.224 0.000 1.164 476 H CB 0.512 30.105 29.762 -0.282 0.000 1.597 476 H HN 0.048 nan 8.280 nan 0.000 0.516 477 Q N 1.041 120.786 119.800 -0.092 0.000 2.291 477 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 477 Q C 1.929 177.897 176.000 -0.052 0.000 0.970 477 Q CA 1.266 57.023 55.803 -0.075 0.000 0.876 477 Q CB 0.155 28.845 28.738 -0.080 0.000 0.935 477 Q HN 0.665 nan 8.270 nan 0.000 0.455 478 A N -0.406 122.389 122.820 -0.041 0.000 1.943 478 A HA 0.025 4.345 4.320 -0.000 0.000 0.213 478 A C 1.828 179.398 177.584 -0.023 0.000 1.181 478 A CA 0.455 52.474 52.037 -0.028 0.000 0.653 478 A CB -0.480 18.506 19.000 -0.024 0.000 0.833 478 A HN 0.442 nan 8.150 nan 0.000 0.451 479 L N -0.092 121.123 121.223 -0.013 0.000 2.046 479 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 479 L C 2.262 179.096 176.870 -0.061 0.000 1.077 479 L CA 1.709 56.525 54.840 -0.040 0.000 0.747 479 L CB -0.594 41.425 42.059 -0.066 0.000 0.896 479 L HN 0.429 nan 8.230 nan 0.000 0.432 480 L N -0.572 120.614 121.223 -0.061 0.000 2.027 480 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 480 L C 2.684 179.530 176.870 -0.040 0.000 1.074 480 L CA 1.223 56.027 54.840 -0.060 0.000 0.745 480 L CB -1.191 40.827 42.059 -0.069 0.000 0.898 480 L HN 0.310 nan 8.230 nan 0.000 0.433 481 G N -0.175 108.604 108.800 -0.036 0.000 2.475 481 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 481 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 481 G C 1.727 176.615 174.900 -0.020 0.000 1.125 481 G CA 0.781 45.866 45.100 -0.026 0.000 0.755 481 G HN 0.280 nan 8.290 nan 0.000 0.565 482 K N -0.375 120.011 120.400 -0.023 0.000 2.031 482 K HA 0.110 4.430 4.320 -0.000 0.000 0.205 482 K C 2.462 179.053 176.600 -0.015 0.000 1.049 482 K CA 0.709 56.985 56.287 -0.018 0.000 0.939 482 K CB -0.210 32.278 32.500 -0.021 0.000 0.717 482 K HN 0.296 nan 8.250 nan 0.000 0.438 483 I N 0.845 121.402 120.570 -0.022 0.000 2.264 483 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 483 I C 2.638 178.754 176.117 -0.001 0.000 1.111 483 I CA 1.216 62.508 61.300 -0.012 0.000 1.382 483 I CB -0.147 37.839 38.000 -0.024 0.000 1.060 483 I HN 0.178 nan 8.210 nan 0.000 0.418 484 R N 0.115 120.612 120.500 -0.004 0.000 2.055 484 R HA -0.136 4.203 4.340 -0.000 0.000 0.228 484 R C 2.254 178.555 176.300 0.001 0.000 1.143 484 R CA 2.087 58.188 56.100 0.003 0.000 0.945 484 R CB -0.375 29.927 30.300 0.004 0.000 0.841 484 R HN 0.170 nan 8.270 nan 0.000 0.429 485 T N 0.965 115.517 114.554 -0.003 0.000 2.770 485 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 485 T C 1.066 175.765 174.700 -0.002 0.000 1.039 485 T CA 1.418 63.516 62.100 -0.004 0.000 1.142 485 T CB -0.368 68.496 68.868 -0.006 0.000 0.868 485 T HN 0.286 nan 8.240 nan 0.000 0.435 486 D N 0.749 121.148 120.400 -0.001 0.000 2.315 486 D HA 0.000 4.640 4.640 -0.000 0.000 0.211 486 D C 1.422 177.724 176.300 0.005 0.000 0.977 486 D CA 1.136 55.137 54.000 0.002 0.000 0.894 486 D CB -0.639 40.163 40.800 0.003 0.000 0.910 486 D HN 0.530 nan 8.370 nan 0.000 0.490 487 G N 0.653 109.456 108.800 0.005 0.000 2.295 487 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.287 487 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.287 487 G C 0.057 174.964 174.900 0.012 0.000 1.055 487 G CA 1.153 46.256 45.100 0.006 0.000 0.922 487 G HN 0.688 nan 8.290 nan 0.000 0.503 488 K N -2.790 117.621 120.400 0.018 0.000 7.617 488 K HA 0.163 4.483 4.320 -0.000 0.000 0.922 488 K C -1.019 175.603 176.600 0.036 0.000 0.926 488 K CA -0.913 55.392 56.287 0.029 0.000 0.963 488 K CB -0.327 32.189 32.500 0.027 0.000 1.799 488 K HN 0.463 nan 8.250 nan 0.000 0.878 489 I N 3.158 123.762 120.570 0.058 0.000 2.322 489 I HA 0.170 4.339 4.170 -0.000 0.000 0.292 489 I C 0.556 176.710 176.117 0.063 0.000 1.060 489 I CA 0.024 61.369 61.300 0.075 0.000 1.309 489 I CB 1.188 39.282 38.000 0.155 0.000 1.415 489 I HN 0.663 nan 8.210 nan 0.000 0.492 490 S N 4.148 119.873 115.700 0.042 0.000 2.661 490 S HA 0.279 4.749 4.470 -0.000 0.000 0.265 490 S C 0.956 175.582 174.600 0.044 0.000 1.225 490 S CA -0.561 57.660 58.200 0.035 0.000 0.986 490 S CB 1.112 64.324 63.200 0.020 0.000 1.008 490 S HN 0.644 nan 8.310 nan 0.000 0.565 491 E N 0.504 120.726 120.200 0.037 0.000 2.072 491 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 491 E C 2.037 178.659 176.600 0.035 0.000 0.985 491 E CA 1.249 57.673 56.400 0.040 0.000 0.801 491 E CB -0.159 29.559 29.700 0.031 0.000 0.750 491 E HN 0.715 nan 8.360 nan 0.000 0.452 492 E N 0.341 120.555 120.200 0.023 0.000 2.085 492 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 492 E C 2.214 178.818 176.600 0.005 0.000 0.994 492 E CA 0.841 57.250 56.400 0.014 0.000 0.801 492 E CB -0.079 29.626 29.700 0.008 0.000 0.743 492 E HN 0.007 nan 8.360 nan 0.000 0.453 493 S N 0.388 116.089 115.700 0.001 0.000 2.402 493 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 493 S C 1.597 176.177 174.600 -0.033 0.000 1.021 493 S CA 0.718 58.901 58.200 -0.028 0.000 0.974 493 S CB -0.117 63.067 63.200 -0.027 0.000 0.800 493 S HN 0.218 nan 8.310 nan 0.000 0.484 494 D N 1.010 121.436 120.400 0.044 0.000 2.144 494 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 494 D C 1.966 178.330 176.300 0.107 0.000 0.984 494 D CA 1.100 55.179 54.000 0.132 0.000 0.834 494 D CB -0.084 40.812 40.800 0.160 0.000 0.955 494 D HN 0.422 nan 8.370 nan 0.000 0.465 495 A N 0.668 123.521 122.820 0.056 0.000 1.872 495 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 495 A C 2.176 179.767 177.584 0.012 0.000 1.187 495 A CA 1.366 53.431 52.037 0.047 0.000 0.614 495 A CB -0.338 18.684 19.000 0.036 0.000 0.826 495 A HN 0.095 nan 8.150 nan 0.000 0.442 496 K N -0.497 119.886 120.400 -0.027 0.000 2.057 496 K HA -0.054 4.265 4.320 -0.000 0.000 0.207 496 K C 1.883 178.405 176.600 -0.130 0.000 1.049 496 K CA 1.314 57.557 56.287 -0.072 0.000 0.931 496 K CB -0.328 32.119 32.500 -0.088 0.000 0.714 496 K HN 0.436 nan 8.250 nan 0.000 0.440 497 L N 1.009 122.131 121.223 -0.168 0.000 2.012 497 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 497 L C 2.548 179.355 176.870 -0.105 0.000 1.073 497 L CA 1.507 56.205 54.840 -0.236 0.000 0.748 497 L CB -0.356 41.344 42.059 -0.597 0.000 0.891 497 L HN 0.192 nan 8.230 nan 0.000 0.431 498 K N -0.425 119.989 120.400 0.024 0.000 2.152 498 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 498 K C 1.882 178.449 176.600 -0.055 0.000 1.048 498 K CA 1.334 57.656 56.287 0.058 0.000 0.933 498 K CB 0.151 32.764 32.500 0.189 0.000 0.721 498 K HN 0.309 nan 8.250 nan 0.000 0.447 499 E N 0.501 120.683 120.200 -0.031 0.000 2.057 499 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 499 E C 2.173 178.770 176.600 -0.004 0.000 0.969 499 E CA 0.666 57.060 56.400 -0.010 0.000 0.812 499 E CB -0.221 29.486 29.700 0.012 0.000 0.777 499 E HN 0.313 nan 8.360 nan 0.000 0.455 500 I N 1.145 121.692 120.570 -0.040 0.000 2.118 500 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 500 I C 2.496 178.702 176.117 0.148 0.000 1.070 500 I CA 1.089 62.394 61.300 0.008 0.000 1.327 500 I CB -0.424 37.437 38.000 -0.232 0.000 1.034 500 I HN -0.075 nan 8.210 nan 0.000 0.405 501 V N 0.793 120.739 119.914 0.053 0.000 2.237 501 V HA -0.315 3.805 4.120 -0.000 0.000 0.245 501 V C 2.647 178.754 176.094 0.022 0.000 1.046 501 V CA 2.628 64.943 62.300 0.025 0.000 1.007 501 V CB -1.420 30.164 31.823 -0.398 0.000 0.638 501 V HN 0.638 nan 8.190 nan 0.000 0.445 502 T N -0.334 114.141 114.554 -0.131 0.000 2.597 502 T HA -0.301 4.049 4.350 -0.000 0.000 0.267 502 T C 1.746 176.504 174.700 0.096 0.000 1.053 502 T CA 1.963 64.051 62.100 -0.021 0.000 1.165 502 T CB -0.716 68.145 68.868 -0.011 0.000 0.863 502 T HN 0.415 nan 8.240 nan 0.000 0.427 503 N N 0.857 119.621 118.700 0.108 0.000 2.104 503 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 503 N C 1.578 177.188 175.510 0.166 0.000 1.024 503 N CA 1.259 54.381 53.050 0.120 0.000 0.853 503 N CB -0.670 37.882 38.487 0.108 0.000 1.008 503 N HN 0.498 nan 8.380 nan 0.000 0.424 504 F N 1.779 121.789 119.950 0.100 0.000 2.134 504 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 504 F C 2.282 178.212 175.800 0.217 0.000 1.097 504 F CA 0.887 58.963 58.000 0.126 0.000 1.264 504 F CB -0.109 39.000 39.000 0.182 0.000 1.001 504 F HN -0.009 nan 8.300 nan 0.000 0.479 505 L N 0.013 121.541 121.223 0.510 0.000 2.083 505 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 505 L C 2.454 179.495 176.870 0.286 0.000 1.083 505 L CA 1.838 56.947 54.840 0.448 0.000 0.752 505 L CB -1.256 40.960 42.059 0.261 0.000 0.899 505 L HN 0.306 nan 8.230 nan 0.000 0.433 506 A N -0.299 122.627 122.820 0.178 0.000 1.898 506 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 506 A C 2.308 179.934 177.584 0.071 0.000 1.181 506 A CA 1.422 53.524 52.037 0.108 0.000 0.620 506 A CB -1.145 17.899 19.000 0.073 0.000 0.819 506 A HN 0.482 nan 8.150 nan 0.000 0.442 507 G N -1.583 107.232 108.800 0.025 0.000 2.422 507 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 507 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 507 G C 1.403 176.257 174.900 -0.078 0.000 1.140 507 G CA 1.046 46.101 45.100 -0.075 0.000 0.775 507 G HN 0.428 nan 8.290 nan 0.000 0.545 508 F N 1.376 121.232 119.950 -0.156 0.000 2.084 508 F HA 0.049 4.576 4.527 -0.000 0.000 0.296 508 F C 2.364 178.164 175.800 0.001 0.000 1.111 508 F CA 1.485 59.444 58.000 -0.068 0.000 1.224 508 F CB 0.007 39.112 39.000 0.174 0.000 0.991 508 F HN 0.157 nan 8.300 nan 0.000 0.471 509 E N 0.578 120.869 120.200 0.152 0.000 2.438 509 E HA 0.194 4.544 4.350 -0.000 0.000 0.192 509 E C 0.054 176.640 176.600 -0.023 0.000 1.110 509 E CA 0.095 56.526 56.400 0.052 0.000 0.893 509 E CB -0.214 29.565 29.700 0.132 0.000 0.990 509 E HN 0.331 nan 8.360 nan 0.000 0.490 510 A N 0.000 122.781 122.820 -0.065 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 510 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486