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 1w0j_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 0.000 176.295 176.300 -0.008 0.000 2.045 24 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 24 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 25 L N 2.638 123.856 121.223 -0.008 0.000 2.672 25 L HA 0.277 4.617 4.340 -0.000 0.000 0.236 25 L C 1.390 178.227 176.870 -0.056 0.000 1.186 25 L CA 0.345 55.167 54.840 -0.031 0.000 0.977 25 L CB 0.062 42.105 42.059 -0.028 0.000 1.203 25 L HN 0.402 nan 8.230 nan 0.000 0.448 26 E N -0.509 119.667 120.200 -0.040 0.000 2.290 26 E HA -0.022 4.328 4.350 -0.000 0.000 0.197 26 E C 1.454 178.028 176.600 -0.044 0.000 0.948 26 E CA 0.228 56.602 56.400 -0.043 0.000 0.895 26 E CB 0.565 30.246 29.700 -0.031 0.000 0.865 26 E HN 0.270 nan 8.360 nan 0.000 0.486 27 E N 0.043 120.219 120.200 -0.039 0.000 2.473 27 E HA 0.053 4.403 4.350 -0.000 0.000 0.204 27 E C 0.529 177.100 176.600 -0.049 0.000 0.994 27 E CA 0.501 56.876 56.400 -0.041 0.000 0.945 27 E CB 1.216 30.896 29.700 -0.033 0.000 0.990 27 E HN 0.195 nan 8.360 nan 0.000 0.493 28 T N -2.096 112.431 114.554 -0.046 0.000 2.901 28 T HA 0.768 5.118 4.350 -0.000 0.000 0.293 28 T C 0.219 174.892 174.700 -0.046 0.000 1.084 28 T CA -0.561 61.510 62.100 -0.048 0.000 1.008 28 T CB 2.582 71.433 68.868 -0.029 0.000 1.170 28 T HN -0.018 nan 8.240 nan 0.000 0.509 29 G N 0.346 109.120 108.800 -0.044 0.000 2.798 29 G HA2 0.721 4.681 3.960 -0.000 0.000 0.286 29 G HA3 0.721 4.681 3.960 -0.000 0.000 0.286 29 G C -1.526 173.391 174.900 0.029 0.000 1.389 29 G CA -1.199 43.891 45.100 -0.017 0.000 0.894 29 G HN 0.835 nan 8.290 nan 0.000 0.488 30 R N -0.721 119.830 120.500 0.086 0.000 2.686 30 R HA 0.527 4.867 4.340 -0.000 0.000 0.286 30 R C -0.879 175.493 176.300 0.120 0.000 0.969 30 R CA -0.780 55.380 56.100 0.101 0.000 0.898 30 R CB 2.693 33.056 30.300 0.106 0.000 1.183 30 R HN 0.303 nan 8.270 nan 0.000 0.456 31 V N 4.873 124.862 119.914 0.127 0.000 2.479 31 V HA -0.011 4.109 4.120 -0.000 0.000 0.281 31 V C 1.370 177.522 176.094 0.097 0.000 1.031 31 V CA 0.442 62.825 62.300 0.139 0.000 1.038 31 V CB 0.646 32.572 31.823 0.172 0.000 0.981 31 V HN 0.721 nan 8.190 nan 0.000 0.478 32 L N 3.926 125.205 121.223 0.093 0.000 2.168 32 L HA 0.135 4.475 4.340 -0.000 0.000 0.203 32 L C 0.920 177.818 176.870 0.046 0.000 1.078 32 L CA 0.890 55.767 54.840 0.062 0.000 0.780 32 L CB 0.109 42.209 42.059 0.068 0.000 0.939 32 L HN 0.836 nan 8.230 nan 0.000 0.451 33 S N -1.066 114.665 115.700 0.052 0.000 2.547 33 S HA 0.627 5.097 4.470 -0.000 0.000 0.270 33 S C -1.113 173.509 174.600 0.037 0.000 1.150 33 S CA -0.786 57.435 58.200 0.035 0.000 0.850 33 S CB 2.598 65.814 63.200 0.027 0.000 1.118 33 S HN 0.007 nan 8.310 nan 0.000 0.461 34 I N 0.610 121.190 120.570 0.015 0.000 2.607 34 I HA 0.890 5.059 4.170 -0.000 0.000 0.290 34 I C -0.394 175.715 176.117 -0.014 0.000 1.129 34 I CA 0.318 61.617 61.300 -0.003 0.000 1.042 34 I CB 1.571 39.553 38.000 -0.029 0.000 1.242 34 I HN 1.360 nan 8.210 nan 0.000 0.421 35 G N 4.507 113.297 108.800 -0.017 0.000 2.596 35 G HA2 0.408 4.368 3.960 -0.000 0.000 0.296 35 G HA3 0.408 4.368 3.960 -0.000 0.000 0.296 35 G C -1.374 173.513 174.900 -0.022 0.000 1.513 35 G CA -0.471 44.617 45.100 -0.021 0.000 0.851 35 G HN 0.708 nan 8.290 nan 0.000 0.548 36 D N -0.281 120.104 120.400 -0.025 0.000 2.708 36 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 36 D C 1.619 177.903 176.300 -0.026 0.000 1.146 36 D CA 2.597 56.581 54.000 -0.026 0.000 0.662 36 D CB -1.204 39.581 40.800 -0.025 0.000 1.059 36 D HN 2.267 nan 8.370 nan 0.000 0.428 37 G N -0.976 107.808 108.800 -0.028 0.000 2.189 37 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 37 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 37 G C 0.222 175.125 174.900 0.004 0.000 0.975 37 G CA 0.459 45.547 45.100 -0.020 0.000 0.644 37 G HN 0.494 nan 8.290 nan 0.000 0.537 38 I N 1.043 121.615 120.570 0.004 0.000 2.382 38 I HA 0.692 4.861 4.170 -0.000 0.000 0.286 38 I C 0.488 176.633 176.117 0.047 0.000 1.002 38 I CA -1.219 60.100 61.300 0.032 0.000 1.135 38 I CB 1.050 39.059 38.000 0.014 0.000 1.288 38 I HN 0.312 nan 8.210 nan 0.000 0.448 39 A N 7.784 130.668 122.820 0.106 0.000 2.292 39 A HA 0.753 5.073 4.320 -0.000 0.000 0.319 39 A C -0.075 177.592 177.584 0.139 0.000 1.206 39 A CA -0.732 51.390 52.037 0.141 0.000 0.835 39 A CB 0.903 20.072 19.000 0.282 0.000 1.164 39 A HN 0.554 nan 8.150 nan 0.000 0.505 40 R N 1.607 122.171 120.500 0.106 0.000 2.265 40 R HA 0.500 4.840 4.340 -0.000 0.000 0.319 40 R C -1.196 175.169 176.300 0.108 0.000 1.006 40 R CA -0.427 55.727 56.100 0.090 0.000 0.880 40 R CB 1.209 31.547 30.300 0.065 0.000 1.077 40 R HN 0.424 nan 8.270 nan 0.000 0.454 41 V N 3.373 123.344 119.914 0.094 0.000 2.444 41 V HA 0.140 4.260 4.120 -0.000 0.000 0.294 41 V C -0.121 176.021 176.094 0.080 0.000 1.022 41 V CA -1.023 61.332 62.300 0.091 0.000 0.850 41 V CB 1.366 33.219 31.823 0.050 0.000 0.992 41 V HN 0.713 nan 8.190 nan 0.000 0.426 42 H N 3.822 122.905 119.070 0.022 0.000 2.848 42 H HA 0.578 5.134 4.556 -0.000 0.000 0.317 42 H C 0.633 175.963 175.328 0.004 0.000 1.046 42 H CA 1.756 57.812 56.048 0.013 0.000 1.470 42 H CB 0.543 30.313 29.762 0.014 0.000 1.483 42 H HN 1.100 nan 8.280 nan 0.000 0.548 43 G N 3.170 111.673 108.800 -0.494 0.000 2.501 43 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.213 43 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.213 43 G C -0.116 174.679 174.900 -0.176 0.000 1.158 43 G CA -0.477 44.409 45.100 -0.356 0.000 1.079 43 G HN 1.092 nan 8.290 nan 0.000 0.586 44 L N 0.043 121.196 121.223 -0.116 0.000 3.833 44 L HA -0.226 4.114 4.340 -0.000 0.000 0.447 44 L C 2.241 179.063 176.870 -0.080 0.000 1.213 44 L CA 0.723 55.511 54.840 -0.087 0.000 0.801 44 L CB -0.788 41.221 42.059 -0.083 0.000 1.676 44 L HN 0.600 nan 8.230 nan 0.000 0.883 45 R N 0.154 120.603 120.500 -0.085 0.000 2.159 45 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 45 R C 1.403 177.674 176.300 -0.048 0.000 1.131 45 R CA 1.258 57.316 56.100 -0.071 0.000 0.982 45 R CB -0.416 29.844 30.300 -0.067 0.000 0.868 45 R HN 0.587 nan 8.270 nan 0.000 0.453 46 N N 0.628 119.301 118.700 -0.045 0.000 2.270 46 N HA 0.010 4.750 4.740 -0.000 0.000 0.198 46 N C -0.019 175.471 175.510 -0.034 0.000 1.117 46 N CA 0.052 53.082 53.050 -0.034 0.000 0.845 46 N CB 0.467 38.936 38.487 -0.031 0.000 0.980 46 N HN 0.002 nan 8.380 nan 0.000 0.486 47 V N 0.043 119.933 119.914 -0.039 0.000 2.740 47 V HA 0.078 4.197 4.120 -0.000 0.000 0.303 47 V C 0.518 176.599 176.094 -0.023 0.000 1.054 47 V CA -0.599 61.679 62.300 -0.036 0.000 1.106 47 V CB 0.310 32.108 31.823 -0.042 0.000 0.957 47 V HN 0.071 nan 8.190 nan 0.000 0.486 48 Q N 2.481 122.270 119.800 -0.018 0.000 2.260 48 Q HA 0.655 4.995 4.340 -0.000 0.000 0.238 48 Q C 0.276 176.277 176.000 0.002 0.000 0.948 48 Q CA -0.398 55.401 55.803 -0.007 0.000 0.895 48 Q CB 1.224 29.959 28.738 -0.006 0.000 1.218 48 Q HN 1.077 nan 8.270 nan 0.000 0.470 49 A N 1.993 124.820 122.820 0.012 0.000 2.522 49 A HA 0.043 4.363 4.320 -0.000 0.000 0.256 49 A C 0.026 177.629 177.584 0.032 0.000 1.086 49 A CA 0.272 52.324 52.037 0.026 0.000 0.763 49 A CB -0.415 18.605 19.000 0.033 0.000 1.024 49 A HN 0.936 nan 8.150 nan 0.000 0.502 50 E N -0.305 119.922 120.200 0.045 0.000 3.687 50 E HA -0.174 4.175 4.350 -0.000 0.000 0.319 50 E C 0.077 176.700 176.600 0.039 0.000 0.821 50 E CA 1.062 57.500 56.400 0.062 0.000 1.195 50 E CB -1.486 28.251 29.700 0.063 0.000 1.605 50 E HN 0.940 nan 8.360 nan 0.000 0.419 51 E N 0.782 120.990 120.200 0.013 0.000 2.301 51 E HA 0.244 4.594 4.350 -0.000 0.000 0.275 51 E C -0.023 176.555 176.600 -0.036 0.000 1.030 51 E CA -0.434 55.956 56.400 -0.016 0.000 0.852 51 E CB 0.695 30.378 29.700 -0.027 0.000 1.060 51 E HN 0.008 nan 8.360 nan 0.000 0.401 52 M N 4.835 124.392 119.600 -0.071 0.000 2.146 52 M HA 0.137 4.617 4.480 -0.000 0.000 0.352 52 M C -0.123 176.093 176.300 -0.139 0.000 1.343 52 M CA -0.323 54.896 55.300 -0.136 0.000 1.115 52 M CB 0.653 33.144 32.600 -0.180 0.000 1.657 52 M HN 0.435 nan 8.290 nan 0.000 0.471 53 V N 1.378 121.191 119.914 -0.168 0.000 3.267 53 V HA 0.698 4.818 4.120 -0.000 0.000 0.317 53 V C -0.462 175.489 176.094 -0.239 0.000 1.131 53 V CA -0.784 61.391 62.300 -0.208 0.000 1.031 53 V CB 2.111 33.773 31.823 -0.269 0.000 1.159 53 V HN 0.855 nan 8.190 nan 0.000 0.454 54 E N -0.223 119.809 120.200 -0.280 0.000 2.290 54 E HA 0.476 4.826 4.350 -0.000 0.000 0.274 54 E C -1.919 174.537 176.600 -0.240 0.000 0.889 54 E CA -0.569 55.722 56.400 -0.182 0.000 0.760 54 E CB 2.112 31.763 29.700 -0.082 0.000 1.206 54 E HN 0.615 nan 8.360 nan 0.000 0.419 55 F N 1.011 120.959 119.950 -0.003 0.000 2.370 55 F HA 0.080 4.607 4.527 -0.000 0.000 0.319 55 F C 2.113 177.918 175.800 0.008 0.000 1.129 55 F CA 0.104 58.109 58.000 0.008 0.000 1.109 55 F CB 1.244 40.256 39.000 0.019 0.000 1.262 55 F HN 0.562 nan 8.300 nan 0.000 0.534 56 S N -0.021 115.807 115.700 0.212 0.000 2.400 56 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 56 S C 1.922 176.581 174.600 0.099 0.000 1.025 56 S CA 1.661 59.930 58.200 0.115 0.000 0.993 56 S CB -0.882 62.375 63.200 0.096 0.000 0.808 56 S HN 0.705 nan 8.310 nan 0.000 0.478 57 S N -0.180 115.591 115.700 0.119 0.000 2.489 57 S HA 0.398 4.868 4.470 -0.000 0.000 0.228 57 S C 1.720 176.365 174.600 0.076 0.000 0.995 57 S CA 0.840 59.086 58.200 0.077 0.000 0.934 57 S CB -0.542 62.691 63.200 0.054 0.000 0.771 57 S HN 1.551 nan 8.310 nan 0.000 0.522 58 G N 0.539 109.401 108.800 0.103 0.000 2.253 58 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 58 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 58 G C -0.027 174.939 174.900 0.110 0.000 0.997 58 G CA -0.150 45.001 45.100 0.084 0.000 0.640 58 G HN 0.466 nan 8.290 nan 0.000 0.496 59 L N 1.458 122.774 121.223 0.155 0.000 2.483 59 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 59 L C 0.717 177.753 176.870 0.278 0.000 1.213 59 L CA -0.122 54.833 54.840 0.191 0.000 0.843 59 L CB 0.442 42.581 42.059 0.133 0.000 1.107 59 L HN -0.007 nan 8.230 nan 0.000 0.487 60 K N 1.725 122.231 120.400 0.177 0.000 2.087 60 K HA 0.709 5.029 4.320 -0.000 0.000 0.255 60 K C 0.035 176.728 176.600 0.155 0.000 0.988 60 K CA -0.414 55.894 56.287 0.036 0.000 0.915 60 K CB 1.687 34.053 32.500 -0.224 0.000 1.043 60 K HN 0.763 nan 8.250 nan 0.000 0.457 61 G N 0.111 108.912 108.800 0.002 0.000 2.698 61 G HA2 0.576 4.536 3.960 -0.000 0.000 0.293 61 G HA3 0.576 4.536 3.960 -0.000 0.000 0.293 61 G C -1.643 173.267 174.900 0.017 0.000 1.437 61 G CA -0.700 44.542 45.100 0.237 0.000 0.852 61 G HN 0.449 nan 8.290 nan 0.000 0.499 62 M N 1.101 120.841 119.600 0.233 0.000 2.326 62 M HA 0.543 5.023 4.480 -0.000 0.000 0.306 62 M C -0.588 175.806 176.300 0.155 0.000 1.054 62 M CA -0.572 54.833 55.300 0.175 0.000 0.922 62 M CB 1.898 34.716 32.600 0.364 0.000 1.632 62 M HN 0.321 nan 8.290 nan 0.000 0.436 63 S N 6.071 121.819 115.700 0.079 0.000 3.072 63 S HA 0.262 4.732 4.470 -0.000 0.000 0.306 63 S C 0.884 175.524 174.600 0.066 0.000 1.207 63 S CA -0.491 57.743 58.200 0.056 0.000 1.008 63 S CB -0.271 62.938 63.200 0.014 0.000 1.390 63 S HN 0.753 nan 8.310 nan 0.000 0.523 64 L N 1.473 122.741 121.223 0.076 0.000 2.354 64 L HA 0.182 4.522 4.340 -0.000 0.000 0.212 64 L C 0.147 177.045 176.870 0.046 0.000 1.091 64 L CA 0.555 55.436 54.840 0.068 0.000 0.828 64 L CB 0.012 42.105 42.059 0.057 0.000 0.973 64 L HN 0.378 nan 8.230 nan 0.000 0.461 65 N N 0.491 119.213 118.700 0.036 0.000 2.479 65 N HA 0.399 5.139 4.740 -0.000 0.000 0.261 65 N C -1.115 174.408 175.510 0.022 0.000 0.979 65 N CA -0.132 52.933 53.050 0.026 0.000 0.930 65 N CB 1.383 39.880 38.487 0.018 0.000 1.172 65 N HN -0.026 nan 8.380 nan 0.000 0.499 66 L N 1.886 123.120 121.223 0.019 0.000 2.262 66 L HA 0.484 4.824 4.340 -0.000 0.000 0.288 66 L C 0.272 177.147 176.870 0.008 0.000 1.035 66 L CA -0.425 54.421 54.840 0.010 0.000 0.820 66 L CB 0.867 42.930 42.059 0.006 0.000 1.204 66 L HN 0.322 nan 8.230 nan 0.000 0.424 67 E N 3.457 123.660 120.200 0.006 0.000 2.277 67 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 67 E C -1.767 174.834 176.600 0.003 0.000 0.901 67 E CA -1.832 54.573 56.400 0.008 0.000 0.782 67 E CB 2.127 31.834 29.700 0.012 0.000 1.228 67 E HN 0.267 nan 8.360 nan 0.000 0.424 68 P HA -0.253 nan 4.420 nan 0.000 0.219 68 P C 0.510 177.813 177.300 0.004 0.000 1.158 68 P CA 1.682 64.785 63.100 0.004 0.000 0.895 68 P CB 0.147 31.853 31.700 0.010 0.000 0.792 69 D N -2.821 117.590 120.400 0.017 0.000 2.469 69 D HA 0.069 4.709 4.640 -0.000 0.000 0.215 69 D C -0.053 176.275 176.300 0.048 0.000 1.154 69 D CA -0.173 53.850 54.000 0.039 0.000 0.832 69 D CB -0.501 40.334 40.800 0.058 0.000 1.008 69 D HN 0.347 nan 8.370 nan 0.000 0.506 70 N N -1.268 117.444 118.700 0.020 0.000 2.935 70 N HA 0.289 5.028 4.740 -0.000 0.000 0.248 70 N C -2.008 173.508 175.510 0.011 0.000 1.276 70 N CA -0.880 52.186 53.050 0.026 0.000 0.906 70 N CB 1.634 40.151 38.487 0.050 0.000 1.564 70 N HN -0.211 nan 8.380 nan 0.000 0.500 71 V N 0.356 120.277 119.914 0.012 0.000 2.435 71 V HA 0.761 4.881 4.120 -0.000 0.000 0.290 71 V C 0.795 176.912 176.094 0.039 0.000 1.030 71 V CA -0.518 61.790 62.300 0.014 0.000 0.881 71 V CB 1.273 33.093 31.823 -0.005 0.000 0.983 71 V HN 0.882 nan 8.190 nan 0.000 0.445 72 G N 3.906 112.730 108.800 0.040 0.000 2.393 72 G HA2 0.500 4.460 3.960 -0.000 0.000 0.311 72 G HA3 0.500 4.460 3.960 -0.000 0.000 0.311 72 G C -0.633 174.312 174.900 0.075 0.000 1.067 72 G CA -0.173 44.958 45.100 0.052 0.000 1.000 72 G HN 0.522 nan 8.290 nan 0.000 0.422 73 V N 3.500 123.484 119.914 0.117 0.000 2.398 73 V HA 0.245 4.365 4.120 -0.000 0.000 0.286 73 V C 0.206 176.423 176.094 0.205 0.000 1.026 73 V CA -0.780 61.623 62.300 0.173 0.000 0.868 73 V CB 1.794 33.754 31.823 0.228 0.000 0.982 73 V HN 0.423 nan 8.190 nan 0.000 0.443 74 V N 6.314 126.357 119.914 0.216 0.000 2.406 74 V HA 0.255 4.375 4.120 -0.000 0.000 0.272 74 V C 0.068 176.373 176.094 0.352 0.000 1.043 74 V CA -0.130 62.293 62.300 0.204 0.000 0.915 74 V CB 1.776 33.691 31.823 0.153 0.000 0.988 74 V HN 0.651 nan 8.190 nan 0.000 0.466 75 V N 7.034 127.094 119.914 0.242 0.000 2.432 75 V HA 0.313 4.433 4.120 -0.000 0.000 0.275 75 V C -0.064 176.201 176.094 0.284 0.000 1.043 75 V CA -0.347 62.118 62.300 0.276 0.000 0.925 75 V CB 1.087 32.927 31.823 0.029 0.000 0.985 75 V HN 0.680 nan 8.190 nan 0.000 0.466 76 F N 4.753 124.762 119.950 0.099 0.000 2.573 76 F HA 0.666 5.193 4.527 -0.000 0.000 0.349 76 F C 1.008 176.840 175.800 0.053 0.000 1.213 76 F CA 0.157 58.208 58.000 0.085 0.000 1.300 76 F CB 0.231 39.294 39.000 0.105 0.000 1.661 76 F HN 0.751 nan 8.300 nan 0.000 0.616 77 G N 0.970 109.848 108.800 0.130 0.000 2.339 77 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.275 77 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.275 77 G C -1.659 173.251 174.900 0.016 0.000 1.323 77 G CA -1.179 43.963 45.100 0.071 0.000 0.927 77 G HN 0.171 nan 8.290 nan 0.000 0.486 78 N N 1.022 119.723 118.700 0.001 0.000 2.444 78 N HA 0.337 5.077 4.740 -0.000 0.000 0.271 78 N C 0.596 176.075 175.510 -0.052 0.000 1.069 78 N CA 0.211 53.249 53.050 -0.020 0.000 0.965 78 N CB 1.468 39.949 38.487 -0.010 0.000 1.092 78 N HN 0.531 nan 8.380 nan 0.000 0.476 79 D N 2.318 122.679 120.400 -0.066 0.000 2.336 79 D HA -0.098 4.542 4.640 -0.000 0.000 0.229 79 D C 1.288 177.537 176.300 -0.085 0.000 1.061 79 D CA 0.406 54.342 54.000 -0.107 0.000 0.875 79 D CB -0.080 40.652 40.800 -0.113 0.000 0.904 79 D HN 0.699 nan 8.370 nan 0.000 0.525 80 K N 0.924 121.292 120.400 -0.054 0.000 2.360 80 K HA -0.091 4.228 4.320 -0.000 0.000 0.201 80 K C 1.313 177.888 176.600 -0.042 0.000 1.046 80 K CA 0.679 56.942 56.287 -0.039 0.000 0.945 80 K CB -0.253 32.233 32.500 -0.024 0.000 0.750 80 K HN 0.258 nan 8.250 nan 0.000 0.464 81 L N 0.945 122.134 121.223 -0.057 0.000 2.558 81 L HA 0.262 4.602 4.340 -0.000 0.000 0.225 81 L C 0.518 177.347 176.870 -0.068 0.000 1.128 81 L CA -0.053 54.758 54.840 -0.048 0.000 0.868 81 L CB 0.141 42.177 42.059 -0.038 0.000 1.006 81 L HN 0.116 nan 8.230 nan 0.000 0.454 82 I N 0.221 120.723 120.570 -0.114 0.000 2.389 82 I HA 0.244 4.413 4.170 -0.000 0.000 0.288 82 I C -0.266 175.812 176.117 -0.065 0.000 0.999 82 I CA -0.351 60.871 61.300 -0.131 0.000 1.129 82 I CB 1.546 39.342 38.000 -0.341 0.000 1.288 82 I HN -0.050 nan 8.210 nan 0.000 0.444 83 K N 4.775 125.167 120.400 -0.015 0.000 2.221 83 K HA 0.381 4.700 4.320 -0.000 0.000 0.243 83 K C -0.382 176.234 176.600 0.027 0.000 0.968 83 K CA -0.974 55.314 56.287 0.003 0.000 0.846 83 K CB 1.892 34.397 32.500 0.008 0.000 1.141 83 K HN 0.518 nan 8.250 nan 0.000 0.434 84 E N 0.272 120.486 120.200 0.024 0.000 2.608 84 E HA -0.115 4.235 4.350 -0.000 0.000 0.259 84 E C 0.532 177.155 176.600 0.038 0.000 0.951 84 E CA 1.423 57.843 56.400 0.034 0.000 0.945 84 E CB 0.078 29.791 29.700 0.021 0.000 0.916 84 E HN 0.805 nan 8.360 nan 0.000 0.477 85 G N 4.028 112.858 108.800 0.050 0.000 2.234 85 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.235 85 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.235 85 G C 0.044 174.982 174.900 0.064 0.000 0.997 85 G CA 0.128 45.257 45.100 0.047 0.000 0.623 85 G HN 0.678 nan 8.290 nan 0.000 0.514 86 D N 0.614 121.065 120.400 0.086 0.000 2.488 86 D HA 0.394 5.034 4.640 -0.000 0.000 0.238 86 D C 0.752 177.123 176.300 0.117 0.000 1.138 86 D CA 0.188 54.255 54.000 0.113 0.000 0.873 86 D CB 0.449 41.348 40.800 0.164 0.000 1.183 86 D HN 0.241 nan 8.370 nan 0.000 0.458 87 I N 2.765 123.388 120.570 0.089 0.000 2.441 87 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 87 I C -0.241 175.893 176.117 0.029 0.000 1.049 87 I CA -0.119 61.212 61.300 0.052 0.000 1.381 87 I CB 1.145 39.165 38.000 0.032 0.000 1.409 87 I HN 0.059 nan 8.210 nan 0.000 0.523 88 V N 6.493 126.380 119.914 -0.046 0.000 2.604 88 V HA 0.532 4.652 4.120 -0.000 0.000 0.305 88 V C -0.227 175.774 176.094 -0.155 0.000 1.043 88 V CA -1.004 61.175 62.300 -0.201 0.000 0.888 88 V CB 1.735 33.355 31.823 -0.338 0.000 0.995 88 V HN 0.584 nan 8.190 nan 0.000 0.429 89 K N 3.250 123.548 120.400 -0.171 0.000 2.378 89 K HA 0.603 4.923 4.320 -0.000 0.000 0.252 89 K C -0.566 175.957 176.600 -0.128 0.000 0.931 89 K CA -0.870 55.348 56.287 -0.115 0.000 0.794 89 K CB 2.571 35.025 32.500 -0.077 0.000 1.181 89 K HN 0.577 nan 8.250 nan 0.000 0.425 90 R N 0.647 121.087 120.500 -0.099 0.000 2.679 90 R HA 0.020 4.360 4.340 -0.000 0.000 0.268 90 R C 0.766 177.024 176.300 -0.069 0.000 1.044 90 R CA 0.453 56.502 56.100 -0.084 0.000 1.105 90 R CB 0.233 30.494 30.300 -0.064 0.000 0.989 90 R HN 0.825 nan 8.270 nan 0.000 0.447 91 T N -2.540 111.975 114.554 -0.065 0.000 3.016 91 T HA 0.223 4.572 4.350 -0.000 0.000 0.271 91 T C 1.158 175.833 174.700 -0.041 0.000 0.968 91 T CA 0.191 62.260 62.100 -0.052 0.000 0.891 91 T CB 0.877 69.712 68.868 -0.055 0.000 1.149 91 T HN 0.798 nan 8.240 nan 0.000 0.524 92 G N 1.634 110.409 108.800 -0.042 0.000 2.157 92 G HA2 0.034 3.994 3.960 -0.000 0.000 0.239 92 G HA3 0.034 3.994 3.960 -0.000 0.000 0.239 92 G C 0.382 175.261 174.900 -0.035 0.000 0.982 92 G CA -0.132 44.947 45.100 -0.034 0.000 0.650 92 G HN 1.228 nan 8.290 nan 0.000 0.527 93 A N 0.226 123.019 122.820 -0.045 0.000 2.520 93 A HA 0.563 4.883 4.320 -0.000 0.000 0.235 93 A C 0.438 177.996 177.584 -0.043 0.000 1.065 93 A CA 0.625 52.633 52.037 -0.049 0.000 0.764 93 A CB 0.468 19.427 19.000 -0.070 0.000 1.002 93 A HN 1.195 nan 8.150 nan 0.000 0.502 94 I N 2.871 123.418 120.570 -0.037 0.000 2.498 94 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 94 I C -0.577 175.523 176.117 -0.029 0.000 1.032 94 I CA -0.614 60.669 61.300 -0.029 0.000 1.073 94 I CB 1.954 39.942 38.000 -0.020 0.000 1.251 94 I HN 0.326 nan 8.210 nan 0.000 0.426 95 V N 7.855 127.754 119.914 -0.025 0.000 2.364 95 V HA 0.189 4.309 4.120 -0.000 0.000 0.252 95 V C -0.132 175.961 176.094 -0.001 0.000 1.075 95 V CA -0.169 62.123 62.300 -0.013 0.000 1.033 95 V CB -0.311 31.512 31.823 -0.000 0.000 1.116 95 V HN 0.770 nan 8.190 nan 0.000 0.488 96 D N 3.937 124.340 120.400 0.004 0.000 2.579 96 D HA 0.671 5.311 4.640 -0.000 0.000 0.257 96 D C -0.606 175.705 176.300 0.018 0.000 1.176 96 D CA -0.623 53.383 54.000 0.010 0.000 0.914 96 D CB 2.383 43.185 40.800 0.003 0.000 1.431 96 D HN 0.342 nan 8.370 nan 0.000 0.454 97 V N -4.370 115.556 119.914 0.020 0.000 3.001 97 V HA 0.754 4.873 4.120 -0.000 0.000 0.314 97 V C -2.794 173.302 176.094 0.003 0.000 1.099 97 V CA -2.306 60.006 62.300 0.020 0.000 0.989 97 V CB 1.733 33.578 31.823 0.036 0.000 1.040 97 V HN 0.565 nan 8.190 nan 0.000 0.434 98 P HA 0.312 nan 4.420 nan 0.000 0.269 98 P C -0.761 176.506 177.300 -0.055 0.000 1.209 98 P CA 0.151 63.231 63.100 -0.033 0.000 0.776 98 P CB 1.372 33.054 31.700 -0.029 0.000 0.876 99 V N 1.199 121.042 119.914 -0.118 0.000 3.087 99 V HA 0.808 4.928 4.120 -0.000 0.000 0.306 99 V C 0.290 176.085 176.094 -0.498 0.000 1.187 99 V CA 0.425 62.599 62.300 -0.211 0.000 0.999 99 V CB 1.950 33.716 31.823 -0.096 0.000 1.049 99 V HN 1.096 nan 8.190 nan 0.000 0.431 100 G N 2.792 111.013 108.800 -0.965 0.000 2.384 100 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.668 100 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.668 100 G C -0.062 174.410 174.900 -0.715 0.000 1.280 100 G CA 0.029 44.241 45.100 -1.480 0.000 0.992 100 G HN 0.677 nan 8.290 nan 0.000 0.512 101 E N 0.465 120.380 120.200 -0.475 0.000 2.482 101 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 101 E C 1.855 178.448 176.600 -0.012 0.000 1.047 101 E CA 0.870 57.228 56.400 -0.070 0.000 0.869 101 E CB 0.077 29.791 29.700 0.024 0.000 0.836 101 E HN 0.616 nan 8.360 nan 0.000 0.520 102 E N 0.700 120.852 120.200 -0.081 0.000 2.478 102 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 102 E C 1.719 178.312 176.600 -0.011 0.000 1.046 102 E CA 0.467 56.846 56.400 -0.035 0.000 0.870 102 E CB -0.073 29.594 29.700 -0.054 0.000 0.818 102 E HN 0.358 nan 8.360 nan 0.000 0.527 103 L N 0.545 121.766 121.223 -0.004 0.000 2.375 103 L HA 0.123 4.463 4.340 -0.000 0.000 0.215 103 L C 1.220 178.132 176.870 0.069 0.000 1.108 103 L CA -0.020 54.838 54.840 0.029 0.000 0.830 103 L CB -0.077 42.002 42.059 0.034 0.000 0.959 103 L HN 0.025 nan 8.230 nan 0.000 0.457 104 L N 0.630 121.918 121.223 0.108 0.000 2.540 104 L HA 0.029 4.369 4.340 -0.000 0.000 0.276 104 L C 1.451 178.361 176.870 0.067 0.000 1.212 104 L CA 0.817 55.733 54.840 0.127 0.000 0.893 104 L CB -0.137 42.045 42.059 0.205 0.000 1.138 104 L HN 0.407 nan 8.230 nan 0.000 0.491 105 G N 1.865 110.683 108.800 0.030 0.000 2.184 105 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 105 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 105 G C 0.340 175.240 174.900 -0.000 0.000 0.975 105 G CA -0.223 44.874 45.100 -0.006 0.000 0.642 105 G HN 0.489 nan 8.290 nan 0.000 0.536 106 R N -0.261 120.250 120.500 0.017 0.000 2.536 106 R HA 0.667 5.007 4.340 -0.000 0.000 0.279 106 R C -0.113 176.199 176.300 0.020 0.000 1.001 106 R CA -0.767 55.343 56.100 0.016 0.000 1.027 106 R CB 1.569 31.882 30.300 0.021 0.000 1.096 106 R HN 0.221 nan 8.270 nan 0.000 0.502 107 V N 2.907 122.832 119.914 0.019 0.000 2.384 107 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 107 V C 0.158 176.271 176.094 0.032 0.000 1.020 107 V CA -0.790 61.526 62.300 0.027 0.000 0.850 107 V CB 1.458 33.294 31.823 0.020 0.000 0.987 107 V HN 0.600 nan 8.190 nan 0.000 0.436 108 V N 1.276 121.214 119.914 0.041 0.000 3.001 108 V HA 0.823 4.943 4.120 -0.000 0.000 0.314 108 V C -0.294 175.829 176.094 0.048 0.000 1.099 108 V CA -0.821 61.504 62.300 0.041 0.000 0.989 108 V CB 2.125 33.971 31.823 0.039 0.000 1.040 108 V HN 0.781 nan 8.190 nan 0.000 0.434 109 D N 2.460 122.889 120.400 0.049 0.000 2.425 109 D HA 0.445 5.085 4.640 -0.000 0.000 0.274 109 D C 1.207 177.544 176.300 0.062 0.000 1.242 109 D CA 0.231 54.265 54.000 0.056 0.000 1.060 109 D CB 0.712 41.548 40.800 0.060 0.000 1.112 109 D HN 0.853 nan 8.370 nan 0.000 0.561 110 A N -1.060 121.803 122.820 0.071 0.000 2.119 110 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 110 A C 2.097 179.736 177.584 0.092 0.000 1.153 110 A CA 0.660 52.743 52.037 0.076 0.000 0.692 110 A CB -0.664 18.382 19.000 0.077 0.000 0.799 110 A HN 0.494 nan 8.150 nan 0.000 0.458 111 L N -1.759 119.522 121.223 0.098 0.000 2.728 111 L HA 0.293 4.633 4.340 -0.000 0.000 0.238 111 L C 1.530 178.437 176.870 0.061 0.000 1.143 111 L CA 0.485 55.380 54.840 0.092 0.000 0.937 111 L CB 0.216 42.342 42.059 0.112 0.000 1.225 111 L HN 0.517 nan 8.230 nan 0.000 0.507 112 G N -0.201 108.632 108.800 0.055 0.000 2.175 112 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 112 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 112 G C 0.191 175.111 174.900 0.033 0.000 0.982 112 G CA -0.350 44.774 45.100 0.040 0.000 0.641 112 G HN 0.388 nan 8.290 nan 0.000 0.527 113 N N 1.331 120.054 118.700 0.039 0.000 2.458 113 N HA 0.429 5.169 4.740 -0.000 0.000 0.258 113 N C 0.705 176.234 175.510 0.031 0.000 1.219 113 N CA 0.753 53.822 53.050 0.033 0.000 0.902 113 N CB 1.050 39.561 38.487 0.039 0.000 1.076 113 N HN 0.735 nan 8.380 nan 0.000 0.455 114 A N 2.116 124.950 122.820 0.024 0.000 2.477 114 A HA 0.221 4.541 4.320 -0.000 0.000 0.246 114 A C 1.317 178.915 177.584 0.024 0.000 1.078 114 A CA -0.198 51.852 52.037 0.022 0.000 0.770 114 A CB -0.355 18.654 19.000 0.015 0.000 1.011 114 A HN 0.821 nan 8.150 nan 0.000 0.494 115 I N -0.915 119.670 120.570 0.024 0.000 4.240 115 I HA 0.225 4.395 4.170 -0.000 0.000 0.331 115 I C 0.548 176.676 176.117 0.018 0.000 1.381 115 I CA 0.146 61.460 61.300 0.024 0.000 1.136 115 I CB 0.423 38.441 38.000 0.030 0.000 1.137 115 I HN 0.470 nan 8.210 nan 0.000 0.411 116 D N 1.617 122.026 120.400 0.015 0.000 2.355 116 D HA 0.110 4.750 4.640 -0.000 0.000 0.218 116 D C 1.741 178.045 176.300 0.006 0.000 1.004 116 D CA 0.820 54.825 54.000 0.009 0.000 0.880 116 D CB -0.036 40.767 40.800 0.005 0.000 0.911 116 D HN 0.473 nan 8.370 nan 0.000 0.528 117 G N 0.628 109.433 108.800 0.009 0.000 2.159 117 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.256 117 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.256 117 G C 0.623 175.527 174.900 0.005 0.000 0.977 117 G CA 0.315 45.420 45.100 0.007 0.000 0.652 117 G HN 0.465 nan 8.290 nan 0.000 0.531 118 K N 0.732 121.135 120.400 0.005 0.000 2.684 118 K HA 0.474 4.793 4.320 -0.000 0.000 0.215 118 K C 1.308 177.911 176.600 0.004 0.000 1.073 118 K CA 0.287 56.576 56.287 0.004 0.000 1.197 118 K CB 0.210 32.712 32.500 0.002 0.000 0.955 118 K HN 1.409 nan 8.250 nan 0.000 0.473 119 G N 2.773 111.577 108.800 0.005 0.000 2.796 119 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.571 119 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.571 119 G C -2.692 172.211 174.900 0.005 0.000 1.370 119 G CA -1.165 43.938 45.100 0.005 0.000 0.856 119 G HN 0.124 nan 8.290 nan 0.000 0.538 120 P HA 0.473 nan 4.420 nan 0.000 0.274 120 P C 0.272 177.572 177.300 0.000 0.000 1.246 120 P CA -0.465 62.636 63.100 0.003 0.000 0.795 120 P CB 0.455 32.156 31.700 0.001 0.000 1.006 121 I N 0.849 121.418 120.570 -0.002 0.000 2.496 121 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 121 I C 1.710 177.818 176.117 -0.015 0.000 1.080 121 I CA 0.203 61.498 61.300 -0.008 0.000 1.404 121 I CB 0.071 38.065 38.000 -0.011 0.000 1.403 121 I HN 0.523 nan 8.210 nan 0.000 0.539 122 G N 4.447 113.236 108.800 -0.018 0.000 3.414 122 G HA2 0.018 3.978 3.960 -0.000 0.000 0.258 122 G HA3 0.018 3.978 3.960 -0.000 0.000 0.258 122 G C 0.594 175.473 174.900 -0.036 0.000 1.348 122 G CA -0.124 44.963 45.100 -0.021 0.000 1.319 122 G HN 0.557 nan 8.290 nan 0.000 0.555 123 S N -0.562 115.112 115.700 -0.043 0.000 2.528 123 S HA 0.251 4.721 4.470 -0.000 0.000 0.277 123 S C 1.379 175.946 174.600 -0.056 0.000 1.297 123 S CA -0.299 57.861 58.200 -0.066 0.000 1.052 123 S CB 1.065 64.223 63.200 -0.071 0.000 0.917 123 S HN 0.493 nan 8.310 nan 0.000 0.492 124 K N 2.254 122.613 120.400 -0.068 0.000 2.214 124 K HA 0.267 4.587 4.320 -0.000 0.000 0.201 124 K C 0.697 177.272 176.600 -0.041 0.000 1.049 124 K CA 0.347 56.606 56.287 -0.046 0.000 0.978 124 K CB 0.165 32.642 32.500 -0.038 0.000 0.842 124 K HN 0.614 nan 8.250 nan 0.000 0.474 125 A N 1.499 124.283 122.820 -0.061 0.000 2.281 125 A HA 0.616 4.936 4.320 -0.000 0.000 0.329 125 A C -0.501 177.056 177.584 -0.045 0.000 1.122 125 A CA -0.503 51.511 52.037 -0.039 0.000 0.850 125 A CB 0.794 19.784 19.000 -0.016 0.000 1.207 125 A HN 0.121 nan 8.150 nan 0.000 0.495 126 R N -0.736 119.752 120.500 -0.019 0.000 2.836 126 R HA 0.742 5.082 4.340 -0.000 0.000 0.269 126 R C -0.863 175.440 176.300 0.005 0.000 1.010 126 R CA -0.821 55.272 56.100 -0.013 0.000 0.930 126 R CB 2.435 32.728 30.300 -0.010 0.000 1.218 126 R HN 0.795 nan 8.270 nan 0.000 0.473 127 R N 0.688 121.194 120.500 0.011 0.000 2.604 127 R HA 0.331 4.671 4.340 -0.000 0.000 0.270 127 R C -1.072 175.240 176.300 0.021 0.000 1.052 127 R CA -0.774 55.340 56.100 0.023 0.000 0.902 127 R CB 1.789 32.112 30.300 0.039 0.000 1.233 127 R HN 0.526 nan 8.270 nan 0.000 0.455 128 R N 1.624 122.133 120.500 0.017 0.000 2.590 128 R HA 0.031 4.371 4.340 -0.000 0.000 0.274 128 R C 1.453 177.763 176.300 0.018 0.000 1.061 128 R CA 0.166 56.272 56.100 0.010 0.000 1.081 128 R CB 0.883 31.184 30.300 0.001 0.000 0.984 128 R HN 0.564 nan 8.270 nan 0.000 0.448 129 V N 0.494 120.416 119.914 0.012 0.000 2.591 129 V HA 0.117 4.237 4.120 -0.000 0.000 0.249 129 V C 0.876 176.961 176.094 -0.015 0.000 1.053 129 V CA 1.309 63.626 62.300 0.028 0.000 1.068 129 V CB -0.173 31.675 31.823 0.042 0.000 0.689 129 V HN 0.712 nan 8.190 nan 0.000 0.462 130 G N 1.322 110.077 108.800 -0.075 0.000 2.404 130 G HA2 0.649 4.609 3.960 -0.000 0.000 0.316 130 G HA3 0.649 4.609 3.960 -0.000 0.000 0.316 130 G C -1.030 173.835 174.900 -0.059 0.000 1.074 130 G CA -0.374 44.649 45.100 -0.129 0.000 0.989 130 G HN 0.377 nan 8.290 nan 0.000 0.430 131 L N 1.427 122.630 121.223 -0.033 0.000 2.466 131 L HA 0.454 4.793 4.340 -0.000 0.000 0.258 131 L C 0.062 176.933 176.870 0.002 0.000 0.973 131 L CA -1.160 53.677 54.840 -0.006 0.000 0.826 131 L CB 2.757 44.824 42.059 0.013 0.000 1.372 131 L HN 0.301 nan 8.230 nan 0.000 0.409 132 K N 1.306 121.711 120.400 0.009 0.000 2.382 132 K HA 0.402 4.721 4.320 -0.000 0.000 0.275 132 K C -0.010 176.599 176.600 0.015 0.000 1.009 132 K CA -0.257 56.040 56.287 0.016 0.000 0.970 132 K CB 1.156 33.669 32.500 0.021 0.000 0.934 132 K HN 0.670 nan 8.250 nan 0.000 0.479 133 A N 4.617 127.447 122.820 0.017 0.000 2.445 133 A HA 0.186 4.506 4.320 -0.000 0.000 0.242 133 A C -1.944 175.631 177.584 -0.014 0.000 1.075 133 A CA -1.101 50.941 52.037 0.007 0.000 0.777 133 A CB -0.551 18.456 19.000 0.011 0.000 1.013 133 A HN 0.464 nan 8.150 nan 0.000 0.493 134 P HA 0.079 nan 4.420 nan 0.000 0.261 134 P C 0.709 177.960 177.300 -0.082 0.000 1.173 134 P CA 0.717 63.762 63.100 -0.092 0.000 0.760 134 P CB 0.158 31.778 31.700 -0.133 0.000 0.783 135 G N 1.831 110.577 108.800 -0.091 0.000 2.479 135 G HA2 0.050 4.010 3.960 -0.000 0.000 0.275 135 G HA3 0.050 4.010 3.960 -0.000 0.000 0.275 135 G C 1.033 175.888 174.900 -0.074 0.000 1.421 135 G CA -0.508 44.555 45.100 -0.062 0.000 1.059 135 G HN 0.416 nan 8.290 nan 0.000 0.535 136 I N -0.312 120.228 120.570 -0.049 0.000 2.394 136 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 136 I C 2.331 178.413 176.117 -0.058 0.000 1.136 136 I CA 0.584 61.860 61.300 -0.041 0.000 1.425 136 I CB 0.091 38.081 38.000 -0.018 0.000 1.079 136 I HN 0.256 nan 8.210 nan 0.000 0.425 137 I N 0.933 121.459 120.570 -0.073 0.000 2.400 137 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 137 I C -0.461 175.584 176.117 -0.120 0.000 1.109 137 I CA 1.023 62.285 61.300 -0.064 0.000 1.425 137 I CB -2.729 35.259 38.000 -0.020 0.000 1.094 137 I HN 0.185 nan 8.210 nan 0.000 0.425 138 P HA -0.004 nan 4.420 nan 0.000 0.247 138 P C 0.127 177.239 177.300 -0.313 0.000 1.225 138 P CA 0.651 63.392 63.100 -0.598 0.000 0.768 138 P CB -0.031 30.874 31.700 -1.325 0.000 1.020 139 R N -0.321 120.084 120.500 -0.159 0.000 2.720 139 R HA 0.685 5.025 4.340 -0.000 0.000 0.272 139 R C -0.416 175.867 176.300 -0.028 0.000 0.991 139 R CA -0.981 55.071 56.100 -0.081 0.000 1.010 139 R CB 1.425 31.685 30.300 -0.067 0.000 1.141 139 R HN -0.052 nan 8.270 nan 0.000 0.494 140 I N -0.475 120.092 120.570 -0.005 0.000 2.740 140 I HA 0.250 4.420 4.170 -0.000 0.000 0.303 140 I C -0.113 176.008 176.117 0.005 0.000 1.044 140 I CA -0.262 61.043 61.300 0.007 0.000 1.064 140 I CB 2.300 40.313 38.000 0.022 0.000 1.249 140 I HN 0.540 nan 8.210 nan 0.000 0.433 141 S N 2.447 118.150 115.700 0.005 0.000 2.536 141 S HA 0.046 4.516 4.470 -0.000 0.000 0.290 141 S C -0.393 174.209 174.600 0.004 0.000 1.302 141 S CA -0.206 57.996 58.200 0.004 0.000 1.037 141 S CB 0.105 63.307 63.200 0.004 0.000 0.804 141 S HN 0.398 nan 8.310 nan 0.000 0.506 142 V N 5.719 125.633 119.914 -0.000 0.000 2.408 142 V HA 0.323 4.443 4.120 -0.000 0.000 0.267 142 V C 1.032 177.119 176.094 -0.011 0.000 1.047 142 V CA 0.029 62.326 62.300 -0.004 0.000 0.937 142 V CB 1.081 32.900 31.823 -0.006 0.000 0.999 142 V HN 0.783 nan 8.190 nan 0.000 0.472 143 R N 2.096 122.586 120.500 -0.017 0.000 2.573 143 R HA 0.231 4.571 4.340 -0.000 0.000 0.224 143 R C 0.214 176.488 176.300 -0.043 0.000 0.904 143 R CA -0.009 56.078 56.100 -0.023 0.000 0.995 143 R CB 0.719 31.011 30.300 -0.014 0.000 1.430 143 R HN 0.678 nan 8.270 nan 0.000 0.631 144 E N 2.739 122.902 120.200 -0.062 0.000 2.229 144 E HA 0.243 4.592 4.350 -0.000 0.000 0.283 144 E C -2.457 174.068 176.600 -0.125 0.000 1.030 144 E CA -2.013 54.322 56.400 -0.109 0.000 0.836 144 E CB 0.999 30.605 29.700 -0.158 0.000 1.068 144 E HN -0.110 nan 8.360 nan 0.000 0.401 145 P HA -0.051 nan 4.420 nan 0.000 0.266 145 P C -0.634 176.560 177.300 -0.177 0.000 1.195 145 P CA 0.166 63.189 63.100 -0.129 0.000 0.768 145 P CB 0.434 32.060 31.700 -0.122 0.000 0.838 146 M N 3.661 123.185 119.600 -0.127 0.000 2.036 146 M HA 0.159 4.639 4.480 -0.000 0.000 0.337 146 M C -0.802 175.453 176.300 -0.074 0.000 1.012 146 M CA -0.508 54.717 55.300 -0.125 0.000 0.962 146 M CB 0.471 33.020 32.600 -0.085 0.000 1.423 146 M HN 0.304 nan 8.290 nan 0.000 0.405 147 Q N 2.533 122.289 119.800 -0.072 0.000 2.288 147 Q HA 0.220 4.560 4.340 -0.000 0.000 0.258 147 Q C 1.211 177.254 176.000 0.072 0.000 0.957 147 Q CA 0.132 55.952 55.803 0.028 0.000 0.919 147 Q CB 1.021 29.839 28.738 0.132 0.000 1.185 147 Q HN 0.782 nan 8.270 nan 0.000 0.408 148 T N -1.566 113.016 114.554 0.047 0.000 3.035 148 T HA 0.156 4.505 4.350 -0.000 0.000 0.259 148 T C 1.224 175.953 174.700 0.049 0.000 1.078 148 T CA 0.667 62.793 62.100 0.044 0.000 1.132 148 T CB 0.153 69.033 68.868 0.020 0.000 0.900 148 T HN 0.807 nan 8.240 nan 0.000 0.480 149 G N 1.424 110.254 108.800 0.049 0.000 2.175 149 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G C -0.015 174.895 174.900 0.017 0.000 0.982 149 G CA 0.035 45.154 45.100 0.032 0.000 0.641 149 G HN 0.662 nan 8.290 nan 0.000 0.527 150 I N 0.970 121.549 120.570 0.015 0.000 2.315 150 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 150 I C 1.551 177.675 176.117 0.010 0.000 1.006 150 I CA -0.742 60.562 61.300 0.006 0.000 1.265 150 I CB 1.404 39.404 38.000 -0.000 0.000 1.387 150 I HN -0.028 nan 8.210 nan 0.000 0.475 151 K N 4.295 124.701 120.400 0.010 0.000 2.032 151 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 151 K C 2.084 178.692 176.600 0.013 0.000 1.048 151 K CA 1.737 58.033 56.287 0.015 0.000 0.927 151 K CB -0.175 32.335 32.500 0.016 0.000 0.712 151 K HN 0.811 nan 8.250 nan 0.000 0.441 152 A N 0.967 123.793 122.820 0.010 0.000 1.908 152 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 152 A C 2.377 179.970 177.584 0.014 0.000 1.181 152 A CA 1.588 53.632 52.037 0.013 0.000 0.627 152 A CB -0.582 18.425 19.000 0.013 0.000 0.818 152 A HN 0.083 nan 8.150 nan 0.000 0.445 153 V N 0.175 120.095 119.914 0.011 0.000 2.273 153 V HA -0.159 3.961 4.120 -0.000 0.000 0.242 153 V C 2.114 178.213 176.094 0.008 0.000 1.035 153 V CA 1.994 64.299 62.300 0.008 0.000 1.013 153 V CB -0.857 30.968 31.823 0.003 0.000 0.652 153 V HN 0.439 nan 8.190 nan 0.000 0.452 154 D N 0.629 121.035 120.400 0.011 0.000 2.228 154 D HA -0.137 4.503 4.640 -0.000 0.000 0.203 154 D C 2.355 178.662 176.300 0.012 0.000 0.988 154 D CA 1.869 55.876 54.000 0.012 0.000 0.864 154 D CB -0.082 40.729 40.800 0.020 0.000 0.928 154 D HN 0.620 nan 8.370 nan 0.000 0.469 155 S N -1.122 114.586 115.700 0.014 0.000 2.460 155 S HA 0.106 4.575 4.470 -0.000 0.000 0.226 155 S C 1.931 176.539 174.600 0.013 0.000 1.057 155 S CA -0.012 58.197 58.200 0.015 0.000 0.948 155 S CB -0.038 63.172 63.200 0.017 0.000 0.822 155 S HN 0.181 nan 8.310 nan 0.000 0.512 156 L N 0.882 122.114 121.223 0.015 0.000 2.575 156 L HA 0.403 4.743 4.340 -0.000 0.000 0.228 156 L C -0.147 176.735 176.870 0.020 0.000 1.075 156 L CA 0.138 54.989 54.840 0.019 0.000 0.867 156 L CB 1.010 43.083 42.059 0.023 0.000 1.097 156 L HN 0.174 nan 8.230 nan 0.000 0.485 157 V N 0.588 120.512 119.914 0.016 0.000 2.562 157 V HA 0.235 4.355 4.120 -0.000 0.000 0.274 157 V C -2.447 173.648 176.094 0.002 0.000 1.075 157 V CA -1.191 61.116 62.300 0.012 0.000 1.204 157 V CB 0.158 31.989 31.823 0.013 0.000 1.478 157 V HN -0.001 nan 8.190 nan 0.000 0.622 158 P HA 0.255 nan 4.420 nan 0.000 0.268 158 P C -0.332 176.960 177.300 -0.013 0.000 1.204 158 P CA 0.482 63.579 63.100 -0.006 0.000 0.768 158 P CB 1.259 32.956 31.700 -0.005 0.000 0.842 159 I N 1.887 122.445 120.570 -0.020 0.000 2.412 159 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 159 I C 1.076 177.170 176.117 -0.037 0.000 0.987 159 I CA -0.492 60.792 61.300 -0.027 0.000 1.180 159 I CB 2.009 39.992 38.000 -0.028 0.000 1.340 159 I HN 0.326 nan 8.210 nan 0.000 0.455 160 G N 3.895 112.673 108.800 -0.036 0.000 2.489 160 G HA2 0.567 4.527 3.960 -0.000 0.000 0.327 160 G HA3 0.567 4.527 3.960 -0.000 0.000 0.327 160 G C -0.718 174.154 174.900 -0.047 0.000 1.189 160 G CA -0.868 44.204 45.100 -0.046 0.000 0.962 160 G HN 0.513 nan 8.290 nan 0.000 0.486 161 R N -0.177 120.287 120.500 -0.061 0.000 2.351 161 R HA 0.423 4.762 4.340 -0.000 0.000 0.318 161 R C 1.165 177.468 176.300 0.005 0.000 1.055 161 R CA 1.443 57.518 56.100 -0.041 0.000 0.968 161 R CB 0.589 30.834 30.300 -0.092 0.000 0.974 161 R HN 1.096 nan 8.270 nan 0.000 0.439 162 G N 1.960 110.769 108.800 0.015 0.000 2.184 162 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.206 162 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.206 162 G C 0.130 175.034 174.900 0.006 0.000 0.995 162 G CA -0.232 44.880 45.100 0.021 0.000 0.651 162 G HN 0.568 nan 8.290 nan 0.000 0.511 163 Q N 0.108 119.905 119.800 -0.004 0.000 2.417 163 Q HA 0.608 4.948 4.340 -0.000 0.000 0.241 163 Q C -0.051 175.942 176.000 -0.011 0.000 1.008 163 Q CA -0.249 55.548 55.803 -0.010 0.000 0.901 163 Q CB 0.355 29.083 28.738 -0.017 0.000 1.259 163 Q HN 0.300 nan 8.270 nan 0.000 0.489 164 R N 2.289 122.781 120.500 -0.014 0.000 2.288 164 R HA 0.319 4.659 4.340 -0.000 0.000 0.326 164 R C -1.380 174.899 176.300 -0.035 0.000 0.959 164 R CA -0.539 55.549 56.100 -0.019 0.000 0.834 164 R CB 1.486 31.776 30.300 -0.017 0.000 1.157 164 R HN 0.454 nan 8.270 nan 0.000 0.470 165 E N 2.594 122.767 120.200 -0.045 0.000 2.191 165 E HA 0.316 4.665 4.350 -0.000 0.000 0.263 165 E C -1.410 175.138 176.600 -0.086 0.000 0.881 165 E CA -0.915 55.447 56.400 -0.062 0.000 0.757 165 E CB 0.994 30.662 29.700 -0.053 0.000 1.147 165 E HN 0.381 nan 8.360 nan 0.000 0.414 166 L N 5.563 126.712 121.223 -0.124 0.000 2.331 166 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 166 L C -0.916 175.845 176.870 -0.182 0.000 1.106 166 L CA 0.099 54.846 54.840 -0.156 0.000 0.824 166 L CB 0.550 42.492 42.059 -0.195 0.000 1.142 166 L HN 0.646 nan 8.230 nan 0.000 0.443 167 I N 6.906 127.392 120.570 -0.139 0.000 2.312 167 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 167 I C -0.291 175.747 176.117 -0.131 0.000 1.008 167 I CA -0.094 61.130 61.300 -0.127 0.000 1.226 167 I CB 1.138 39.097 38.000 -0.069 0.000 1.371 167 I HN 0.563 nan 8.210 nan 0.000 0.468 168 I N 5.477 125.949 120.570 -0.164 0.000 2.619 168 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 168 I C -0.354 175.755 176.117 -0.015 0.000 1.100 168 I CA 0.048 61.279 61.300 -0.115 0.000 1.043 168 I CB 1.931 39.810 38.000 -0.203 0.000 1.239 168 I HN 0.695 nan 8.210 nan 0.000 0.420 169 G N 4.809 113.624 108.800 0.026 0.000 2.328 169 G HA2 0.185 4.145 3.960 -0.000 0.000 0.295 169 G HA3 0.185 4.145 3.960 -0.000 0.000 0.295 169 G C -1.945 172.979 174.900 0.039 0.000 1.413 169 G CA -0.799 44.338 45.100 0.061 0.000 0.817 169 G HN 0.507 nan 8.290 nan 0.000 0.546 170 D N 0.347 120.770 120.400 0.038 0.000 2.369 170 D HA 0.340 4.980 4.640 -0.000 0.000 0.241 170 D C 1.292 177.590 176.300 -0.003 0.000 1.271 170 D CA -0.040 53.974 54.000 0.024 0.000 0.942 170 D CB 0.423 41.239 40.800 0.027 0.000 1.129 170 D HN 0.682 nan 8.370 nan 0.000 0.476 171 R N 0.091 120.589 120.500 -0.003 0.000 2.697 171 R HA -0.016 4.324 4.340 -0.000 0.000 0.265 171 R C -0.128 176.132 176.300 -0.066 0.000 1.009 171 R CA -0.017 56.071 56.100 -0.020 0.000 1.099 171 R CB -0.266 30.031 30.300 -0.006 0.000 0.965 171 R HN 0.365 nan 8.270 nan 0.000 0.428 172 Q N -0.836 118.911 119.800 -0.087 0.000 2.481 172 Q HA -0.198 4.142 4.340 -0.000 0.000 0.272 172 Q C 0.245 176.042 176.000 -0.339 0.000 1.157 172 Q CA 1.439 57.137 55.803 -0.175 0.000 0.935 172 Q CB -1.733 26.912 28.738 -0.155 0.000 1.338 172 Q HN 0.987 nan 8.270 nan 0.000 0.494 173 T N -4.947 109.472 114.554 -0.225 0.000 3.060 173 T HA 0.428 4.778 4.350 -0.000 0.000 0.249 173 T C 1.234 175.876 174.700 -0.097 0.000 1.079 173 T CA 0.449 62.409 62.100 -0.233 0.000 1.013 173 T CB 1.026 69.849 68.868 -0.075 0.000 0.975 173 T HN 0.961 nan 8.240 nan 0.000 0.518 174 G N 1.541 110.299 108.800 -0.070 0.000 2.151 174 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.156 174 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.156 174 G C 0.579 175.483 174.900 0.007 0.000 1.017 174 G CA 0.096 45.202 45.100 0.010 0.000 0.686 174 G HN 0.476 nan 8.290 nan 0.000 0.503 175 K N -0.427 119.973 120.400 -0.000 0.000 2.007 175 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 175 K C 2.532 179.147 176.600 0.025 0.000 1.047 175 K CA 1.676 57.966 56.287 0.006 0.000 0.937 175 K CB -0.282 32.217 32.500 -0.001 0.000 0.718 175 K HN 0.233 nan 8.250 nan 0.000 0.438 176 T N 1.211 115.792 114.554 0.044 0.000 2.759 176 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 176 T C 2.060 176.790 174.700 0.050 0.000 1.042 176 T CA 1.512 63.663 62.100 0.084 0.000 1.140 176 T CB -0.178 68.746 68.868 0.094 0.000 0.864 176 T HN 0.141 nan 8.240 nan 0.000 0.455 177 S N 1.041 116.748 115.700 0.012 0.000 2.368 177 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 177 S C 2.027 176.608 174.600 -0.032 0.000 1.030 177 S CA 0.658 58.836 58.200 -0.036 0.000 0.999 177 S CB -0.316 62.837 63.200 -0.078 0.000 0.844 177 S HN 0.320 nan 8.310 nan 0.000 0.459 178 I N 2.232 122.795 120.570 -0.011 0.000 2.151 178 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 178 I C 2.697 178.822 176.117 0.013 0.000 1.080 178 I CA 1.474 62.771 61.300 -0.005 0.000 1.339 178 I CB -1.860 36.138 38.000 -0.003 0.000 1.039 178 I HN 0.240 nan 8.210 nan 0.000 0.409 179 A N 1.061 123.902 122.820 0.036 0.000 1.858 179 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 179 A C 2.231 179.851 177.584 0.060 0.000 1.190 179 A CA 1.334 53.411 52.037 0.067 0.000 0.617 179 A CB -0.628 18.456 19.000 0.141 0.000 0.827 179 A HN 0.274 nan 8.150 nan 0.000 0.443 180 I N 0.780 121.372 120.570 0.036 0.000 2.163 180 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 180 I C 1.873 178.019 176.117 0.048 0.000 1.085 180 I CA 1.560 62.870 61.300 0.016 0.000 1.347 180 I CB -1.642 36.373 38.000 0.026 0.000 1.044 180 I HN 0.283 nan 8.210 nan 0.000 0.408 181 D N 0.525 120.946 120.400 0.035 0.000 2.123 181 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 181 D C 2.196 178.522 176.300 0.043 0.000 0.992 181 D CA 1.674 55.694 54.000 0.034 0.000 0.833 181 D CB -0.309 40.484 40.800 -0.012 0.000 0.954 181 D HN 0.258 nan 8.370 nan 0.000 0.455 182 T N 1.010 115.587 114.554 0.040 0.000 2.665 182 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 182 T C 2.183 176.929 174.700 0.076 0.000 1.035 182 T CA 0.739 62.869 62.100 0.050 0.000 1.151 182 T CB -0.216 68.674 68.868 0.037 0.000 0.862 182 T HN 0.182 nan 8.240 nan 0.000 0.438 183 I N 0.216 120.836 120.570 0.083 0.000 2.252 183 I HA -0.091 4.079 4.170 -0.000 0.000 0.245 183 I C 2.219 178.447 176.117 0.185 0.000 1.102 183 I CA 1.136 62.515 61.300 0.131 0.000 1.385 183 I CB -0.347 37.699 38.000 0.077 0.000 1.064 183 I HN 0.228 nan 8.210 nan 0.000 0.414 184 I N 0.871 121.509 120.570 0.114 0.000 2.226 184 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 184 I C 2.256 178.433 176.117 0.099 0.000 1.100 184 I CA 1.557 62.924 61.300 0.112 0.000 1.374 184 I CB -0.537 37.510 38.000 0.077 0.000 1.057 184 I HN 0.294 nan 8.210 nan 0.000 0.413 185 N N 0.617 119.350 118.700 0.056 0.000 2.258 185 N HA -0.230 4.510 4.740 -0.000 0.000 0.187 185 N C 1.758 177.214 175.510 -0.091 0.000 1.012 185 N CA 1.191 54.233 53.050 -0.013 0.000 0.870 185 N CB 0.051 38.560 38.487 0.037 0.000 0.977 185 N HN 0.250 nan 8.380 nan 0.000 0.434 186 Q N 0.155 119.955 119.800 -0.001 0.000 2.436 186 Q HA -0.063 4.277 4.340 -0.000 0.000 0.209 186 Q C 1.619 177.390 176.000 -0.381 0.000 0.965 186 Q CA 0.520 56.276 55.803 -0.078 0.000 0.910 186 Q CB -0.116 28.543 28.738 -0.130 0.000 0.980 186 Q HN 0.513 nan 8.270 nan 0.000 0.491 187 K N 1.526 121.768 120.400 -0.263 0.000 2.063 187 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 187 K C 2.004 178.429 176.600 -0.291 0.000 1.048 187 K CA 1.284 57.446 56.287 -0.208 0.000 0.928 187 K CB 0.018 32.535 32.500 0.028 0.000 0.713 187 K HN 0.176 nan 8.250 nan 0.000 0.442 188 R N -0.235 120.004 120.500 -0.436 0.000 2.193 188 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 188 R C 1.438 177.407 176.300 -0.550 0.000 1.110 188 R CA 1.482 57.266 56.100 -0.526 0.000 0.988 188 R CB -0.354 29.553 30.300 -0.654 0.000 0.871 188 R HN 0.229 nan 8.270 nan 0.000 0.458 189 F N 0.647 120.494 119.950 -0.172 0.000 2.437 189 F HA 0.224 4.751 4.527 -0.000 0.000 0.288 189 F C 1.781 177.454 175.800 -0.211 0.000 1.085 189 F CA -0.243 57.651 58.000 -0.176 0.000 1.430 189 F CB -0.133 38.751 39.000 -0.193 0.000 1.120 189 F HN -0.053 nan 8.300 nan 0.000 0.556 190 N N 0.248 118.841 118.700 -0.179 0.000 2.457 190 N HA -0.103 4.637 4.740 -0.000 0.000 0.180 190 N C 0.926 176.354 175.510 -0.136 0.000 1.050 190 N CA 0.922 53.811 53.050 -0.268 0.000 0.906 190 N CB -0.317 37.797 38.487 -0.621 0.000 0.968 190 N HN 0.216 nan 8.380 nan 0.000 0.445 191 D N 0.015 120.349 120.400 -0.110 0.000 2.249 191 D HA 0.052 4.692 4.640 -0.000 0.000 0.205 191 D C 1.363 177.644 176.300 -0.033 0.000 0.962 191 D CA 0.338 54.305 54.000 -0.054 0.000 0.860 191 D CB -0.229 40.535 40.800 -0.059 0.000 0.955 191 D HN 0.134 nan 8.370 nan 0.000 0.505 192 G N -0.183 108.597 108.800 -0.032 0.000 2.527 192 G HA2 0.162 4.122 3.960 -0.000 0.000 0.279 192 G HA3 0.162 4.122 3.960 -0.000 0.000 0.279 192 G C 1.105 176.012 174.900 0.010 0.000 1.374 192 G CA 0.959 46.055 45.100 -0.005 0.000 1.053 192 G HN 0.241 nan 8.290 nan 0.000 0.539 193 T N -3.564 111.001 114.554 0.019 0.000 2.969 193 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 193 T C 0.623 175.341 174.700 0.030 0.000 1.021 193 T CA 0.532 62.645 62.100 0.023 0.000 1.003 193 T CB 0.238 69.116 68.868 0.017 0.000 1.040 193 T HN 0.345 nan 8.240 nan 0.000 0.492 194 D N 2.477 122.896 120.400 0.031 0.000 2.348 194 D HA 0.093 4.733 4.640 -0.000 0.000 0.259 194 D C 1.166 177.488 176.300 0.036 0.000 1.296 194 D CA -0.045 53.973 54.000 0.030 0.000 0.931 194 D CB 0.643 41.457 40.800 0.023 0.000 1.067 194 D HN 0.199 nan 8.370 nan 0.000 0.503 195 E N 3.032 123.261 120.200 0.050 0.000 2.153 195 E HA -0.171 4.178 4.350 -0.000 0.000 0.194 195 E C 1.473 178.131 176.600 0.097 0.000 0.988 195 E CA 0.649 57.096 56.400 0.078 0.000 0.811 195 E CB 0.247 29.998 29.700 0.085 0.000 0.746 195 E HN 0.523 nan 8.360 nan 0.000 0.466 196 K N 0.846 121.288 120.400 0.069 0.000 2.063 196 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 196 K C 1.897 178.480 176.600 -0.028 0.000 1.048 196 K CA 0.956 57.287 56.287 0.073 0.000 0.928 196 K CB -0.062 32.454 32.500 0.025 0.000 0.713 196 K HN 0.027 nan 8.250 nan 0.000 0.442 197 K N 0.847 121.195 120.400 -0.087 0.000 2.459 197 K HA 0.014 4.334 4.320 -0.000 0.000 0.193 197 K C 0.313 176.775 176.600 -0.229 0.000 1.030 197 K CA 0.253 56.394 56.287 -0.244 0.000 1.026 197 K CB 0.266 32.627 32.500 -0.231 0.000 0.809 197 K HN 0.076 nan 8.250 nan 0.000 0.504 198 K N 1.154 121.513 120.400 -0.070 0.000 2.258 198 K HA 0.167 4.487 4.320 -0.000 0.000 0.264 198 K C -0.644 175.888 176.600 -0.113 0.000 1.007 198 K CA -0.200 56.030 56.287 -0.096 0.000 0.941 198 K CB 0.672 33.139 32.500 -0.055 0.000 0.966 198 K HN -0.144 nan 8.250 nan 0.000 0.480 199 L N 3.039 124.086 121.223 -0.292 0.000 2.528 199 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 199 L C -1.788 174.854 176.870 -0.381 0.000 0.961 199 L CA -0.407 54.312 54.840 -0.203 0.000 0.866 199 L CB 1.026 43.000 42.059 -0.142 0.000 1.248 199 L HN 0.447 nan 8.230 nan 0.000 0.404 200 Y N 3.189 123.377 120.300 -0.186 0.000 2.310 200 Y HA 0.561 5.111 4.550 -0.000 0.000 0.326 200 Y C 0.308 176.096 175.900 -0.186 0.000 1.151 200 Y CA -0.172 57.766 58.100 -0.269 0.000 1.195 200 Y CB 1.379 39.339 38.460 -0.834 0.000 1.210 200 Y HN 0.520 nan 8.280 nan 0.000 0.483 201 C N 4.784 124.134 119.300 0.083 0.000 2.417 201 C HA 0.670 5.130 4.460 -0.000 0.000 0.324 201 C C -0.300 174.716 174.990 0.043 0.000 1.240 201 C CA -1.062 57.999 59.018 0.072 0.000 1.632 201 C CB -0.023 27.806 27.740 0.149 0.000 2.241 201 C HN 0.588 nan 8.230 nan 0.000 0.499 202 I N 2.941 123.522 120.570 0.018 0.000 2.439 202 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 202 I C -1.173 174.948 176.117 0.007 0.000 1.021 202 I CA -0.482 60.827 61.300 0.015 0.000 1.091 202 I CB 1.175 39.166 38.000 -0.015 0.000 1.242 202 I HN 0.634 nan 8.210 nan 0.000 0.439 203 Y N 6.774 127.036 120.300 -0.064 0.000 2.342 203 Y HA 0.537 5.087 4.550 -0.000 0.000 0.338 203 Y C -0.773 175.098 175.900 -0.049 0.000 0.965 203 Y CA -0.594 57.465 58.100 -0.068 0.000 1.159 203 Y CB 1.424 39.857 38.460 -0.045 0.000 1.157 203 Y HN 0.294 nan 8.280 nan 0.000 0.486 204 V N 6.461 126.055 119.914 -0.534 0.000 2.328 204 V HA 0.642 4.761 4.120 -0.000 0.000 0.278 204 V C -0.100 175.721 176.094 -0.454 0.000 1.021 204 V CA -0.708 61.405 62.300 -0.311 0.000 0.838 204 V CB 0.852 32.602 31.823 -0.123 0.000 0.999 204 V HN 0.919 nan 8.190 nan 0.000 0.447 205 A N 6.886 129.586 122.820 -0.199 0.000 2.252 205 A HA 0.856 5.176 4.320 -0.000 0.000 0.309 205 A C -0.634 176.936 177.584 -0.024 0.000 1.285 205 A CA -0.299 51.694 52.037 -0.074 0.000 0.900 205 A CB 0.081 19.182 19.000 0.169 0.000 1.157 205 A HN 0.758 nan 8.150 nan 0.000 0.536 206 I N 1.851 122.404 120.570 -0.029 0.000 2.389 206 I HA 0.570 4.740 4.170 -0.000 0.000 0.288 206 I C 1.123 177.253 176.117 0.022 0.000 0.999 206 I CA 0.291 61.592 61.300 0.001 0.000 1.129 206 I CB 1.871 39.866 38.000 -0.009 0.000 1.288 206 I HN 0.959 nan 8.210 nan 0.000 0.444 207 G N 3.551 112.371 108.800 0.032 0.000 2.153 207 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 207 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 207 G C 0.246 175.169 174.900 0.039 0.000 0.994 207 G CA -0.130 44.992 45.100 0.037 0.000 0.698 207 G HN 0.615 nan 8.290 nan 0.000 0.521 208 Q N -0.116 119.711 119.800 0.045 0.000 2.318 208 Q HA 0.462 4.802 4.340 -0.000 0.000 0.222 208 Q C 0.772 176.799 176.000 0.046 0.000 1.003 208 Q CA -0.175 55.660 55.803 0.052 0.000 0.936 208 Q CB 0.678 29.461 28.738 0.076 0.000 1.204 208 Q HN 0.620 nan 8.270 nan 0.000 0.524 209 K N 0.195 120.620 120.400 0.042 0.000 2.144 209 K HA 0.238 4.558 4.320 -0.000 0.000 0.270 209 K C 0.393 177.014 176.600 0.036 0.000 1.005 209 K CA -0.495 55.813 56.287 0.035 0.000 0.932 209 K CB 1.205 33.722 32.500 0.029 0.000 1.021 209 K HN 0.426 nan 8.250 nan 0.000 0.462 210 R N 0.767 121.286 120.500 0.031 0.000 2.113 210 R HA -0.207 4.133 4.340 -0.000 0.000 0.244 210 R C 2.295 178.610 176.300 0.024 0.000 1.142 210 R CA 2.519 58.636 56.100 0.029 0.000 0.953 210 R CB -0.445 29.870 30.300 0.024 0.000 0.860 210 R HN 0.961 nan 8.270 nan 0.000 0.438 211 S N -0.680 115.031 115.700 0.020 0.000 2.419 211 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 211 S C 1.903 176.511 174.600 0.013 0.000 1.016 211 S CA 1.609 59.817 58.200 0.013 0.000 0.974 211 S CB -0.335 62.873 63.200 0.012 0.000 0.786 211 S HN 0.216 nan 8.310 nan 0.000 0.492 212 T N 2.168 116.736 114.554 0.022 0.000 2.746 212 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 212 T C 1.847 176.559 174.700 0.021 0.000 1.039 212 T CA 1.391 63.506 62.100 0.025 0.000 1.142 212 T CB -0.458 68.434 68.868 0.040 0.000 0.866 212 T HN 0.309 nan 8.240 nan 0.000 0.444 213 V N 1.535 121.468 119.914 0.032 0.000 2.453 213 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 213 V C 2.833 178.925 176.094 -0.004 0.000 1.048 213 V CA 1.440 63.759 62.300 0.032 0.000 1.049 213 V CB -1.163 30.699 31.823 0.064 0.000 0.672 213 V HN 0.495 nan 8.190 nan 0.000 0.457 214 A N -0.498 122.321 122.820 -0.002 0.000 1.865 214 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 214 A C 2.179 179.744 177.584 -0.032 0.000 1.191 214 A CA 1.829 53.857 52.037 -0.015 0.000 0.623 214 A CB -0.580 18.416 19.000 -0.007 0.000 0.826 214 A HN 0.514 nan 8.150 nan 0.000 0.444 215 Q N -0.756 119.028 119.800 -0.027 0.000 2.152 215 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 215 Q C 2.095 178.056 176.000 -0.065 0.000 0.985 215 Q CA 1.194 56.974 55.803 -0.039 0.000 0.863 215 Q CB -0.575 28.152 28.738 -0.019 0.000 0.904 215 Q HN 0.638 nan 8.270 nan 0.000 0.422 216 L N 0.738 121.917 121.223 -0.075 0.000 1.988 216 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 216 L C 2.437 179.219 176.870 -0.148 0.000 1.071 216 L CA 1.856 56.617 54.840 -0.132 0.000 0.744 216 L CB -1.147 40.801 42.059 -0.185 0.000 0.893 216 L HN 0.194 nan 8.230 nan 0.000 0.433 217 V N -0.552 119.291 119.914 -0.117 0.000 2.490 217 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 217 V C 2.654 178.688 176.094 -0.101 0.000 1.061 217 V CA 2.102 64.338 62.300 -0.107 0.000 1.064 217 V CB -0.680 31.100 31.823 -0.072 0.000 0.670 217 V HN 0.469 nan 8.190 nan 0.000 0.461 218 K N 1.514 121.861 120.400 -0.088 0.000 2.044 218 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 218 K C 2.321 178.850 176.600 -0.117 0.000 1.049 218 K CA 2.431 58.664 56.287 -0.089 0.000 0.927 218 K CB -0.706 31.748 32.500 -0.076 0.000 0.713 218 K HN 0.515 nan 8.250 nan 0.000 0.443 219 R N 0.367 120.783 120.500 -0.140 0.000 2.120 219 R HA 0.054 4.394 4.340 -0.000 0.000 0.234 219 R C 2.042 178.246 176.300 -0.160 0.000 1.123 219 R CA 1.499 57.487 56.100 -0.187 0.000 0.975 219 R CB -0.478 29.701 30.300 -0.200 0.000 0.866 219 R HN 0.371 nan 8.270 nan 0.000 0.446 220 L N -0.739 120.396 121.223 -0.145 0.000 2.179 220 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 220 L C 1.938 178.720 176.870 -0.147 0.000 1.096 220 L CA 1.359 56.108 54.840 -0.151 0.000 0.779 220 L CB -0.436 41.517 42.059 -0.177 0.000 0.922 220 L HN 0.248 nan 8.230 nan 0.000 0.443 221 T N -0.685 113.794 114.554 -0.125 0.000 2.668 221 T HA -0.160 4.190 4.350 -0.000 0.000 0.262 221 T C 1.371 176.016 174.700 -0.092 0.000 1.045 221 T CA 1.475 63.513 62.100 -0.103 0.000 1.152 221 T CB -0.223 68.595 68.868 -0.083 0.000 0.864 221 T HN 0.288 nan 8.240 nan 0.000 0.419 222 D N 1.605 121.948 120.400 -0.096 0.000 2.265 222 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 222 D C 1.822 178.072 176.300 -0.084 0.000 0.977 222 D CA 0.894 54.840 54.000 -0.090 0.000 0.871 222 D CB -0.257 40.478 40.800 -0.108 0.000 0.925 222 D HN 0.448 nan 8.370 nan 0.000 0.485 223 A N 0.125 122.891 122.820 -0.092 0.000 2.275 223 A HA 0.067 4.387 4.320 -0.000 0.000 0.212 223 A C 0.600 178.154 177.584 -0.051 0.000 1.201 223 A CA 0.378 52.375 52.037 -0.066 0.000 0.843 223 A CB 0.075 19.039 19.000 -0.060 0.000 0.873 223 A HN 0.028 nan 8.150 nan 0.000 0.492 224 D N -2.747 117.612 120.400 -0.069 0.000 2.837 224 D HA -0.217 4.422 4.640 -0.000 0.000 0.230 224 D C 0.855 177.092 176.300 -0.104 0.000 1.152 224 D CA 1.067 55.030 54.000 -0.062 0.000 0.736 224 D CB -1.177 39.613 40.800 -0.017 0.000 1.084 224 D HN 0.514 nan 8.370 nan 0.000 0.429 225 A N -0.878 121.808 122.820 -0.222 0.000 2.147 225 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 225 A C 2.019 179.110 177.584 -0.820 0.000 1.160 225 A CA 0.488 52.178 52.037 -0.579 0.000 0.781 225 A CB -0.038 18.773 19.000 -0.315 0.000 0.842 225 A HN 0.291 nan 8.150 nan 0.000 0.475 226 M N 1.081 120.435 119.600 -0.409 0.000 2.358 226 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 226 M C 1.944 178.089 176.300 -0.258 0.000 1.064 226 M CA 1.607 56.731 55.300 -0.293 0.000 1.093 226 M CB -0.819 31.685 32.600 -0.160 0.000 1.401 226 M HN 0.690 nan 8.290 nan 0.000 0.440 227 K N -0.202 120.047 120.400 -0.252 0.000 2.288 227 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 227 K C 0.735 177.358 176.600 0.039 0.000 1.048 227 K CA 1.225 57.475 56.287 -0.062 0.000 0.956 227 K CB -0.511 32.003 32.500 0.023 0.000 0.746 227 K HN 0.487 nan 8.250 nan 0.000 0.461 228 Y N -0.251 120.063 120.300 0.022 0.000 2.720 228 Y HA 0.475 5.025 4.550 -0.000 0.000 0.268 228 Y C -0.623 175.294 175.900 0.028 0.000 1.142 228 Y CA -1.078 57.041 58.100 0.032 0.000 1.193 228 Y CB 0.172 38.556 38.460 -0.128 0.000 1.176 228 Y HN -0.241 nan 8.280 nan 0.000 0.542 229 T N 2.713 117.215 114.554 -0.086 0.000 2.848 229 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 229 T C -0.448 174.261 174.700 0.015 0.000 0.995 229 T CA -0.433 61.638 62.100 -0.049 0.000 0.970 229 T CB 1.547 70.313 68.868 -0.171 0.000 0.976 229 T HN 0.182 nan 8.240 nan 0.000 0.441 230 I N 2.548 123.154 120.570 0.061 0.000 2.385 230 I HA 0.463 4.633 4.170 -0.000 0.000 0.294 230 I C -0.325 175.837 176.117 0.075 0.000 0.988 230 I CA -0.947 60.396 61.300 0.071 0.000 1.265 230 I CB 1.494 39.554 38.000 0.101 0.000 1.388 230 I HN 0.221 nan 8.210 nan 0.000 0.480 231 V N 7.107 127.063 119.914 0.071 0.000 2.357 231 V HA 0.304 4.424 4.120 -0.000 0.000 0.284 231 V C -0.083 176.065 176.094 0.090 0.000 1.018 231 V CA -0.617 61.748 62.300 0.108 0.000 0.841 231 V CB 1.671 33.549 31.823 0.091 0.000 0.991 231 V HN 0.405 nan 8.190 nan 0.000 0.437 232 V N 3.977 123.941 119.914 0.084 0.000 2.398 232 V HA 0.581 4.701 4.120 -0.000 0.000 0.286 232 V C 0.203 176.331 176.094 0.056 0.000 1.026 232 V CA -0.198 62.137 62.300 0.058 0.000 0.868 232 V CB 1.683 33.530 31.823 0.039 0.000 0.982 232 V HN 0.807 nan 8.190 nan 0.000 0.443 233 S N 3.705 119.440 115.700 0.058 0.000 2.756 233 S HA 0.745 5.215 4.470 -0.000 0.000 0.303 233 S C -0.339 174.290 174.600 0.049 0.000 1.135 233 S CA -0.162 58.075 58.200 0.060 0.000 1.066 233 S CB 1.069 64.312 63.200 0.072 0.000 1.008 233 S HN 1.104 nan 8.310 nan 0.000 0.482 234 A N 4.371 127.215 122.820 0.040 0.000 2.536 234 A HA 0.623 4.943 4.320 -0.000 0.000 0.329 234 A C 0.488 178.093 177.584 0.036 0.000 1.321 234 A CA -0.620 51.439 52.037 0.037 0.000 0.804 234 A CB -0.030 18.989 19.000 0.033 0.000 1.126 234 A HN 0.811 nan 8.150 nan 0.000 0.480 235 T N -1.066 113.510 114.554 0.037 0.000 2.810 235 T HA 0.555 4.905 4.350 -0.000 0.000 0.277 235 T C 1.565 176.284 174.700 0.031 0.000 0.973 235 T CA 0.030 62.153 62.100 0.037 0.000 0.949 235 T CB 1.016 69.907 68.868 0.039 0.000 1.075 235 T HN 0.936 nan 8.240 nan 0.000 0.537 236 A N 0.652 123.490 122.820 0.030 0.000 2.019 236 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 236 A C 2.385 179.981 177.584 0.020 0.000 1.164 236 A CA 1.808 53.861 52.037 0.026 0.000 0.644 236 A CB -1.234 17.782 19.000 0.026 0.000 0.805 236 A HN 1.055 nan 8.150 nan 0.000 0.449 237 S N -0.688 115.024 115.700 0.020 0.000 2.556 237 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 237 S C -0.237 174.372 174.600 0.015 0.000 0.970 237 S CA -0.334 57.875 58.200 0.016 0.000 0.912 237 S CB -0.214 62.996 63.200 0.016 0.000 0.790 237 S HN 0.347 nan 8.310 nan 0.000 0.504 238 D N 2.978 123.389 120.400 0.018 0.000 2.382 238 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 238 D C 0.418 176.716 176.300 -0.004 0.000 1.120 238 D CA 0.160 54.168 54.000 0.014 0.000 0.890 238 D CB 1.245 42.058 40.800 0.021 0.000 1.201 238 D HN 0.442 nan 8.370 nan 0.000 0.433 239 A N 1.582 124.390 122.820 -0.021 0.000 2.520 239 A HA 0.340 4.660 4.320 -0.000 0.000 0.235 239 A C 1.504 179.042 177.584 -0.077 0.000 1.065 239 A CA 0.411 52.416 52.037 -0.053 0.000 0.764 239 A CB 0.152 19.109 19.000 -0.071 0.000 1.002 239 A HN 0.636 nan 8.150 nan 0.000 0.502 240 A N 2.949 125.732 122.820 -0.062 0.000 1.903 240 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 240 A C -0.078 177.479 177.584 -0.045 0.000 1.191 240 A CA 2.261 54.276 52.037 -0.037 0.000 0.638 240 A CB -1.816 17.163 19.000 -0.036 0.000 0.823 240 A HN 0.660 nan 8.150 nan 0.000 0.451 241 P HA -0.126 nan 4.420 nan 0.000 0.216 241 P C 1.424 178.584 177.300 -0.234 0.000 1.150 241 P CA 0.911 63.852 63.100 -0.264 0.000 0.837 241 P CB -0.187 31.002 31.700 -0.852 0.000 0.786 242 L N -0.852 120.193 121.223 -0.297 0.000 2.056 242 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 242 L C 2.685 179.563 176.870 0.014 0.000 1.078 242 L CA 1.525 56.304 54.840 -0.101 0.000 0.749 242 L CB -1.045 40.982 42.059 -0.053 0.000 0.901 242 L HN -0.010 nan 8.230 nan 0.000 0.433 243 Q N -1.109 118.711 119.800 0.033 0.000 2.167 243 Q HA -0.241 4.098 4.340 -0.000 0.000 0.202 243 Q C 2.106 178.180 176.000 0.124 0.000 0.970 243 Q CA 1.677 57.520 55.803 0.067 0.000 0.855 243 Q CB -0.321 28.456 28.738 0.065 0.000 0.911 243 Q HN 0.512 nan 8.270 nan 0.000 0.438 244 Y N 1.347 121.669 120.300 0.038 0.000 2.145 244 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 244 Y C 1.750 177.751 175.900 0.169 0.000 1.145 244 Y CA 1.286 59.447 58.100 0.100 0.000 1.148 244 Y CB -0.334 38.203 38.460 0.129 0.000 0.981 244 Y HN -0.022 nan 8.280 nan 0.000 0.507 245 L N -0.073 121.108 121.223 -0.070 0.000 2.093 245 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 245 L C 2.831 179.718 176.870 0.028 0.000 1.085 245 L CA 1.014 55.808 54.840 -0.077 0.000 0.755 245 L CB -1.109 40.971 42.059 0.035 0.000 0.904 245 L HN 0.397 nan 8.230 nan 0.000 0.435 246 A N 1.011 123.839 122.820 0.014 0.000 1.903 246 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 246 A C -0.170 177.403 177.584 -0.018 0.000 1.191 246 A CA 2.148 54.194 52.037 0.014 0.000 0.638 246 A CB -1.934 17.076 19.000 0.016 0.000 0.823 246 A HN 0.322 nan 8.150 nan 0.000 0.451 247 P HA -0.107 nan 4.420 nan 0.000 0.221 247 P C 0.850 177.991 177.300 -0.264 0.000 1.150 247 P CA 1.111 64.098 63.100 -0.189 0.000 0.800 247 P CB -0.222 31.153 31.700 -0.541 0.000 0.787 248 Y N 0.001 120.243 120.300 -0.097 0.000 2.220 248 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 248 Y C 2.726 178.616 175.900 -0.017 0.000 1.129 248 Y CA 1.267 59.313 58.100 -0.090 0.000 1.161 248 Y CB -1.143 37.209 38.460 -0.179 0.000 0.997 248 Y HN -0.099 nan 8.280 nan 0.000 0.522 249 S N 0.077 115.853 115.700 0.127 0.000 2.359 249 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 249 S C 2.405 177.059 174.600 0.090 0.000 1.039 249 S CA 1.460 59.717 58.200 0.094 0.000 1.042 249 S CB -1.210 62.037 63.200 0.078 0.000 0.915 249 S HN 0.669 nan 8.310 nan 0.000 0.439 250 G N -0.037 108.813 108.800 0.083 0.000 2.450 250 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 250 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 250 G C 1.694 176.656 174.900 0.104 0.000 1.130 250 G CA 1.079 46.227 45.100 0.080 0.000 0.760 250 G HN 0.593 nan 8.290 nan 0.000 0.557 251 C N 0.277 119.661 119.300 0.140 0.000 2.446 251 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 251 C C 3.260 178.330 174.990 0.133 0.000 1.275 251 C CA 1.583 60.694 59.018 0.154 0.000 1.727 251 C CB -0.925 26.911 27.740 0.159 0.000 2.010 251 C HN 0.360 nan 8.230 nan 0.000 0.486 252 S N 0.501 116.274 115.700 0.122 0.000 2.368 252 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 252 S C 1.744 176.420 174.600 0.127 0.000 1.030 252 S CA 2.020 60.285 58.200 0.109 0.000 0.999 252 S CB -0.363 62.890 63.200 0.087 0.000 0.844 252 S HN 0.654 nan 8.310 nan 0.000 0.459 253 M N 0.778 120.458 119.600 0.133 0.000 2.149 253 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 253 M C 2.388 178.885 176.300 0.329 0.000 1.064 253 M CA 1.578 56.983 55.300 0.176 0.000 1.102 253 M CB -0.766 31.929 32.600 0.159 0.000 1.369 253 M HN 0.445 nan 8.290 nan 0.000 0.408 254 G N -0.284 108.688 108.800 0.286 0.000 2.443 254 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 254 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 254 G C 1.348 176.442 174.900 0.323 0.000 1.131 254 G CA 0.505 45.812 45.100 0.345 0.000 0.775 254 G HN 0.493 nan 8.290 nan 0.000 0.547 255 E N -0.723 119.600 120.200 0.204 0.000 2.208 255 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 255 E C 1.876 178.518 176.600 0.070 0.000 0.988 255 E CA 0.253 56.727 56.400 0.122 0.000 0.828 255 E CB -0.198 29.555 29.700 0.088 0.000 0.763 255 E HN 0.581 nan 8.360 nan 0.000 0.478 256 Y N 0.419 120.687 120.300 -0.054 0.000 2.193 256 Y HA -0.308 4.242 4.550 -0.000 0.000 0.285 256 Y C 1.520 177.224 175.900 -0.326 0.000 1.166 256 Y CA 1.716 59.670 58.100 -0.244 0.000 1.181 256 Y CB -0.223 37.974 38.460 -0.439 0.000 0.976 256 Y HN -0.034 nan 8.280 nan 0.000 0.520 257 F N -0.368 119.556 119.950 -0.043 0.000 2.219 257 F HA 0.025 4.552 4.527 -0.000 0.000 0.294 257 F C 2.727 178.425 175.800 -0.169 0.000 1.086 257 F CA 1.379 59.292 58.000 -0.145 0.000 1.330 257 F CB -0.689 38.314 39.000 0.005 0.000 1.047 257 F HN -0.170 nan 8.300 nan 0.000 0.495 258 R N 0.630 121.186 120.500 0.093 0.000 2.105 258 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 258 R C 0.768 177.039 176.300 -0.049 0.000 1.135 258 R CA 1.986 58.097 56.100 0.020 0.000 0.967 258 R CB -0.358 29.973 30.300 0.051 0.000 0.861 258 R HN 0.187 nan 8.270 nan 0.000 0.442 259 D N -0.524 119.821 120.400 -0.092 0.000 2.339 259 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 259 D C 0.064 176.263 176.300 -0.168 0.000 1.050 259 D CA 0.381 54.326 54.000 -0.091 0.000 0.856 259 D CB 0.227 40.986 40.800 -0.068 0.000 0.922 259 D HN 0.231 nan 8.370 nan 0.000 0.518 260 N N -0.103 118.437 118.700 -0.267 0.000 2.416 260 N HA 0.178 4.918 4.740 -0.000 0.000 0.267 260 N C 0.815 176.202 175.510 -0.205 0.000 1.294 260 N CA 0.073 52.945 53.050 -0.297 0.000 0.891 260 N CB 1.759 39.916 38.487 -0.550 0.000 1.238 260 N HN 0.076 nan 8.380 nan 0.000 0.508 261 G N 1.169 109.873 108.800 -0.159 0.000 2.184 261 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 261 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 261 G C 0.269 175.042 174.900 -0.213 0.000 0.975 261 G CA 0.561 45.574 45.100 -0.145 0.000 0.642 261 G HN 0.316 nan 8.290 nan 0.000 0.536 262 K N -0.196 120.087 120.400 -0.195 0.000 2.210 262 K HA 0.685 5.005 4.320 -0.000 0.000 0.236 262 K C -0.218 176.233 176.600 -0.248 0.000 1.016 262 K CA -0.875 55.340 56.287 -0.121 0.000 0.913 262 K CB 0.756 33.337 32.500 0.135 0.000 1.141 262 K HN 0.323 nan 8.250 nan 0.000 0.462 263 H N -0.312 118.881 119.070 0.205 0.000 2.547 263 H HA 0.516 5.072 4.556 -0.000 0.000 0.342 263 H C -1.031 174.364 175.328 0.111 0.000 1.048 263 H CA -0.751 55.373 56.048 0.127 0.000 1.204 263 H CB 1.918 31.711 29.762 0.052 0.000 1.493 263 H HN 0.658 nan 8.280 nan 0.000 0.511 264 A N 2.900 125.821 122.820 0.168 0.000 2.384 264 A HA 0.617 4.937 4.320 -0.000 0.000 0.312 264 A C -1.265 176.337 177.584 0.029 0.000 1.113 264 A CA -0.720 51.340 52.037 0.038 0.000 0.779 264 A CB 1.883 20.895 19.000 0.020 0.000 1.307 264 A HN 0.494 nan 8.150 nan 0.000 0.436 265 L N 1.422 122.637 121.223 -0.013 0.000 2.381 265 L HA 0.788 5.128 4.340 -0.000 0.000 0.274 265 L C -1.171 175.654 176.870 -0.075 0.000 0.988 265 L CA -0.353 54.467 54.840 -0.033 0.000 0.824 265 L CB 1.340 43.388 42.059 -0.019 0.000 1.263 265 L HN 0.699 nan 8.230 nan 0.000 0.410 266 I N 5.094 125.570 120.570 -0.156 0.000 2.474 266 I HA 0.578 4.748 4.170 -0.000 0.000 0.294 266 I C -1.247 174.593 176.117 -0.462 0.000 1.005 266 I CA -0.507 60.598 61.300 -0.325 0.000 1.113 266 I CB 1.534 39.272 38.000 -0.436 0.000 1.289 266 I HN 0.629 nan 8.210 nan 0.000 0.436 267 I N 7.621 127.912 120.570 -0.465 0.000 2.406 267 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 267 I C -1.282 174.486 176.117 -0.581 0.000 0.999 267 I CA -0.146 60.908 61.300 -0.410 0.000 1.124 267 I CB 1.483 39.393 38.000 -0.150 0.000 1.289 267 I HN 0.368 nan 8.210 nan 0.000 0.441 268 Y N 4.149 124.302 120.300 -0.246 0.000 2.491 268 Y HA 0.395 4.945 4.550 -0.000 0.000 0.334 268 Y C -0.192 175.543 175.900 -0.274 0.000 0.969 268 Y CA -0.728 57.201 58.100 -0.284 0.000 1.241 268 Y CB 0.923 39.224 38.460 -0.265 0.000 1.105 268 Y HN 0.390 nan 8.280 nan 0.000 0.503 269 D N 3.882 124.150 120.400 -0.220 0.000 2.438 269 D HA 0.181 4.821 4.640 -0.000 0.000 0.257 269 D C -1.234 175.010 176.300 -0.093 0.000 1.148 269 D CA -0.402 53.497 54.000 -0.168 0.000 0.902 269 D CB 0.407 41.061 40.800 -0.243 0.000 1.062 269 D HN 0.716 nan 8.370 nan 0.000 0.518 270 D N 0.251 120.623 120.400 -0.046 0.000 2.493 270 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 270 D C 1.072 177.332 176.300 -0.065 0.000 1.049 270 D CA -0.757 53.213 54.000 -0.051 0.000 1.008 270 D CB 1.373 42.156 40.800 -0.029 0.000 1.398 270 D HN 0.052 nan 8.370 nan 0.000 0.513 271 L N 0.155 121.303 121.223 -0.124 0.000 2.313 271 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 271 L C 1.929 178.776 176.870 -0.039 0.000 1.119 271 L CA 0.519 55.238 54.840 -0.202 0.000 0.809 271 L CB -0.398 41.333 42.059 -0.546 0.000 0.933 271 L HN 0.457 nan 8.230 nan 0.000 0.449 272 S N 0.438 116.128 115.700 -0.016 0.000 2.368 272 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 272 S C 1.904 176.565 174.600 0.102 0.000 1.044 272 S CA 1.534 59.765 58.200 0.052 0.000 1.062 272 S CB -0.163 63.061 63.200 0.041 0.000 0.931 272 S HN 0.424 nan 8.310 nan 0.000 0.440 273 K N 0.871 121.315 120.400 0.073 0.000 2.155 273 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 273 K C 2.435 179.100 176.600 0.109 0.000 1.052 273 K CA 0.736 57.075 56.287 0.086 0.000 0.948 273 K CB -0.183 32.350 32.500 0.056 0.000 0.728 273 K HN 0.415 nan 8.250 nan 0.000 0.448 274 Q N 1.042 120.903 119.800 0.101 0.000 2.050 274 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 274 Q C 2.091 178.221 176.000 0.217 0.000 0.980 274 Q CA 1.545 57.431 55.803 0.138 0.000 0.840 274 Q CB -0.091 28.701 28.738 0.089 0.000 0.898 274 Q HN 0.301 nan 8.270 nan 0.000 0.424 275 A N 0.144 123.104 122.820 0.234 0.000 1.933 275 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 275 A C 2.244 180.073 177.584 0.409 0.000 1.175 275 A CA 1.521 53.716 52.037 0.264 0.000 0.628 275 A CB -0.769 18.308 19.000 0.129 0.000 0.814 275 A HN 0.306 nan 8.150 nan 0.000 0.444 276 V N -0.186 119.923 119.914 0.325 0.000 2.332 276 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 276 V C 3.059 179.240 176.094 0.144 0.000 1.055 276 V CA 2.035 64.474 62.300 0.231 0.000 1.038 276 V CB -1.156 30.758 31.823 0.152 0.000 0.651 276 V HN 0.630 nan 8.190 nan 0.000 0.450 277 A N -1.267 121.643 122.820 0.150 0.000 1.933 277 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 277 A C 2.154 179.808 177.584 0.117 0.000 1.175 277 A CA 1.998 54.102 52.037 0.111 0.000 0.628 277 A CB -0.727 18.349 19.000 0.127 0.000 0.814 277 A HN 0.615 nan 8.150 nan 0.000 0.444 278 Y N 0.438 120.761 120.300 0.039 0.000 2.145 278 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 278 Y C 2.517 178.399 175.900 -0.030 0.000 1.145 278 Y CA 1.961 60.034 58.100 -0.045 0.000 1.148 278 Y CB -0.455 38.014 38.460 0.015 0.000 0.981 278 Y HN 0.354 nan 8.280 nan 0.000 0.507 279 R N 0.266 120.784 120.500 0.030 0.000 2.091 279 R HA -0.256 4.084 4.340 -0.000 0.000 0.238 279 R C 2.427 178.632 176.300 -0.159 0.000 1.136 279 R CA 1.940 57.979 56.100 -0.101 0.000 0.959 279 R CB -0.447 29.762 30.300 -0.151 0.000 0.856 279 R HN 0.550 nan 8.270 nan 0.000 0.437 280 Q N 0.245 119.982 119.800 -0.105 0.000 2.045 280 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 280 Q C 2.110 178.029 176.000 -0.134 0.000 0.991 280 Q CA 2.298 58.041 55.803 -0.099 0.000 0.851 280 Q CB -0.083 28.620 28.738 -0.058 0.000 0.911 280 Q HN 0.435 nan 8.270 nan 0.000 0.418 281 M N -0.347 119.145 119.600 -0.180 0.000 2.117 281 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 281 M C 2.349 178.501 176.300 -0.248 0.000 1.065 281 M CA 1.550 56.724 55.300 -0.210 0.000 1.114 281 M CB 0.030 32.467 32.600 -0.272 0.000 1.361 281 M HN 0.142 nan 8.290 nan 0.000 0.408 282 S N 0.737 116.220 115.700 -0.362 0.000 2.348 282 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 282 S C 1.829 176.323 174.600 -0.177 0.000 1.033 282 S CA 1.220 59.231 58.200 -0.315 0.000 1.010 282 S CB -0.547 62.423 63.200 -0.384 0.000 0.891 282 S HN 0.378 nan 8.310 nan 0.000 0.442 283 L N 0.994 122.122 121.223 -0.158 0.000 2.042 283 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 283 L C 2.114 178.931 176.870 -0.087 0.000 1.076 283 L CA 1.152 55.926 54.840 -0.109 0.000 0.749 283 L CB -0.619 41.375 42.059 -0.108 0.000 0.893 283 L HN 0.280 nan 8.230 nan 0.000 0.432 284 L N -0.865 120.304 121.223 -0.090 0.000 2.395 284 L HA -0.106 4.234 4.340 -0.000 0.000 0.218 284 L C 1.938 178.777 176.870 -0.052 0.000 1.130 284 L CA 0.451 55.253 54.840 -0.063 0.000 0.826 284 L CB -0.168 41.857 42.059 -0.056 0.000 0.941 284 L HN 0.252 nan 8.230 nan 0.000 0.451 285 L N -0.612 120.571 121.223 -0.067 0.000 2.612 285 L HA 0.116 4.455 4.340 -0.000 0.000 0.230 285 L C 0.675 177.521 176.870 -0.041 0.000 1.140 285 L CA 0.026 54.837 54.840 -0.048 0.000 0.896 285 L CB -0.162 41.861 42.059 -0.060 0.000 1.065 285 L HN 0.202 nan 8.230 nan 0.000 0.447 286 R N 0.337 120.809 120.500 -0.047 0.000 3.641 286 R HA -0.173 4.167 4.340 -0.000 0.000 0.286 286 R C 0.001 176.279 176.300 -0.036 0.000 1.153 286 R CA 0.384 56.461 56.100 -0.038 0.000 0.775 286 R CB -1.567 28.718 30.300 -0.025 0.000 1.215 286 R HN 0.409 nan 8.270 nan 0.000 0.474 287 R N 0.603 121.074 120.500 -0.049 0.000 2.679 287 R HA 0.186 4.526 4.340 -0.000 0.000 0.269 287 R C -2.089 174.192 176.300 -0.032 0.000 1.076 287 R CA -1.526 54.551 56.100 -0.037 0.000 1.160 287 R CB 0.184 30.454 30.300 -0.050 0.000 1.054 287 R HN -0.107 nan 8.270 nan 0.000 0.507 288 P HA 0.127 nan 4.420 nan 0.000 0.276 288 P C -2.405 174.889 177.300 -0.010 0.000 1.235 288 P CA -1.127 61.966 63.100 -0.012 0.000 0.772 288 P CB 0.275 31.974 31.700 -0.003 0.000 0.871 289 P HA 0.315 nan 4.420 nan 0.000 0.285 289 P C 0.261 177.554 177.300 -0.013 0.000 1.259 289 P CA -0.056 63.031 63.100 -0.021 0.000 0.794 289 P CB 1.175 32.851 31.700 -0.041 0.000 0.940 290 G N 1.809 110.610 108.800 0.001 0.000 3.039 290 G HA2 0.358 4.318 3.960 -0.000 0.000 0.159 290 G HA3 0.358 4.318 3.960 -0.000 0.000 0.159 290 G C -0.622 174.244 174.900 -0.057 0.000 1.284 290 G CA -0.884 44.197 45.100 -0.031 0.000 0.996 290 G HN 0.512 nan 8.290 nan 0.000 0.592 291 R N 0.428 120.833 120.500 -0.158 0.000 2.537 291 R HA 0.081 4.421 4.340 -0.000 0.000 0.281 291 R C 0.195 176.512 176.300 0.027 0.000 0.988 291 R CA 1.065 57.065 56.100 -0.167 0.000 1.077 291 R CB -0.245 29.783 30.300 -0.454 0.000 0.932 291 R HN 0.703 nan 8.270 nan 0.000 0.409 292 E N 2.589 122.825 120.200 0.060 0.000 2.805 292 E HA -0.346 4.003 4.350 -0.000 0.000 0.266 292 E C 0.290 176.850 176.600 -0.067 0.000 1.092 292 E CA 0.551 57.013 56.400 0.104 0.000 0.781 292 E CB -1.178 28.732 29.700 0.350 0.000 1.379 292 E HN 0.884 nan 8.360 nan 0.000 0.433 293 A N -2.400 120.379 122.820 -0.068 0.000 3.021 293 A HA -0.301 4.019 4.320 -0.000 0.000 0.257 293 A C 0.050 177.531 177.584 -0.171 0.000 1.277 293 A CA 1.602 53.557 52.037 -0.137 0.000 1.012 293 A CB -2.195 16.695 19.000 -0.183 0.000 1.147 293 A HN 0.442 nan 8.150 nan 0.000 0.861 294 Y N 0.832 121.174 120.300 0.069 0.000 2.346 294 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 294 Y C -1.176 174.789 175.900 0.109 0.000 1.178 294 Y CA -1.071 57.111 58.100 0.137 0.000 1.331 294 Y CB 0.483 39.137 38.460 0.323 0.000 1.253 294 Y HN 0.269 nan 8.280 nan 0.000 0.529 295 P HA 0.046 nan 4.420 nan 0.000 0.274 295 P C 0.442 177.899 177.300 0.262 0.000 1.246 295 P CA -0.160 63.050 63.100 0.183 0.000 0.795 295 P CB 0.980 32.745 31.700 0.109 0.000 1.006 296 G N 0.912 109.827 108.800 0.191 0.000 2.598 296 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 296 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 296 G C 0.709 175.755 174.900 0.244 0.000 1.131 296 G CA 0.322 45.540 45.100 0.197 0.000 0.785 296 G HN 0.614 nan 8.290 nan 0.000 0.539 297 D N 0.198 120.768 120.400 0.284 0.000 2.325 297 D HA 0.053 4.693 4.640 -0.000 0.000 0.225 297 D C 1.882 178.385 176.300 0.339 0.000 1.096 297 D CA -0.278 53.933 54.000 0.352 0.000 0.844 297 D CB 0.050 41.092 40.800 0.403 0.000 0.925 297 D HN 0.110 nan 8.370 nan 0.000 0.513 298 V N -0.115 119.985 119.914 0.310 0.000 2.515 298 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 298 V C 1.862 177.913 176.094 -0.071 0.000 1.058 298 V CA 1.132 63.499 62.300 0.112 0.000 1.064 298 V CB -0.726 31.188 31.823 0.153 0.000 0.675 298 V HN 0.165 nan 8.190 nan 0.000 0.461 299 F N 0.027 119.953 119.950 -0.039 0.000 2.069 299 F HA -0.257 4.269 4.527 -0.000 0.000 0.298 299 F C 2.227 178.055 175.800 0.047 0.000 1.113 299 F CA 2.522 60.495 58.000 -0.044 0.000 1.214 299 F CB -0.668 38.348 39.000 0.027 0.000 0.978 299 F HN 0.341 nan 8.300 nan 0.000 0.474 300 Y N 0.781 121.187 120.300 0.176 0.000 2.139 300 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 300 Y C 2.260 178.126 175.900 -0.057 0.000 1.179 300 Y CA 1.800 59.951 58.100 0.085 0.000 1.161 300 Y CB -1.168 37.367 38.460 0.126 0.000 0.970 300 Y HN 0.241 nan 8.280 nan 0.000 0.511 301 L N -0.271 120.846 121.223 -0.176 0.000 2.051 301 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 301 L C 2.252 179.019 176.870 -0.172 0.000 1.076 301 L CA 2.535 57.192 54.840 -0.305 0.000 0.758 301 L CB -0.719 41.034 42.059 -0.509 0.000 0.890 301 L HN 0.409 nan 8.230 nan 0.000 0.433 302 H N -2.460 116.449 119.070 -0.270 0.000 2.486 302 H HA 0.028 4.584 4.556 -0.000 0.000 0.287 302 H C 2.316 177.437 175.328 -0.345 0.000 1.010 302 H CA 0.631 56.474 56.048 -0.342 0.000 1.324 302 H CB 0.185 29.715 29.762 -0.387 0.000 1.446 302 H HN 0.498 nan 8.280 nan 0.000 0.537 303 S N 1.530 117.071 115.700 -0.266 0.000 2.383 303 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 303 S C 2.072 176.629 174.600 -0.072 0.000 1.026 303 S CA 1.064 59.130 58.200 -0.224 0.000 0.981 303 S CB -0.203 62.877 63.200 -0.200 0.000 0.818 303 S HN 0.519 nan 8.310 nan 0.000 0.472 304 R N 0.553 121.021 120.500 -0.054 0.000 2.148 304 R HA 0.172 4.512 4.340 -0.000 0.000 0.223 304 R C 2.251 178.555 176.300 0.007 0.000 1.088 304 R CA 0.901 56.985 56.100 -0.026 0.000 0.985 304 R CB -0.703 29.520 30.300 -0.128 0.000 0.880 304 R HN 0.400 nan 8.270 nan 0.000 0.451 305 L N 1.456 122.675 121.223 -0.007 0.000 1.976 305 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 305 L C 2.087 178.886 176.870 -0.119 0.000 1.071 305 L CA 1.725 56.494 54.840 -0.117 0.000 0.746 305 L CB -0.302 41.492 42.059 -0.441 0.000 0.890 305 L HN 0.234 nan 8.230 nan 0.000 0.432 306 L N -0.636 120.505 121.223 -0.137 0.000 2.478 306 L HA -0.033 4.307 4.340 -0.000 0.000 0.223 306 L C 2.243 179.098 176.870 -0.025 0.000 1.140 306 L CA 0.180 54.973 54.840 -0.078 0.000 0.842 306 L CB -0.518 41.471 42.059 -0.116 0.000 0.953 306 L HN 0.288 nan 8.230 nan 0.000 0.452 307 E N 0.389 120.578 120.200 -0.018 0.000 2.285 307 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 307 E C 2.076 178.683 176.600 0.011 0.000 0.997 307 E CA 0.484 56.885 56.400 0.003 0.000 0.845 307 E CB -0.012 29.697 29.700 0.016 0.000 0.782 307 E HN 0.440 nan 8.360 nan 0.000 0.491 308 R N 0.881 121.393 120.500 0.020 0.000 2.249 308 R HA -0.004 4.336 4.340 -0.000 0.000 0.230 308 R C 0.880 177.203 176.300 0.040 0.000 1.121 308 R CA 0.677 56.797 56.100 0.034 0.000 0.997 308 R CB -0.130 30.203 30.300 0.054 0.000 0.867 308 R HN -0.049 nan 8.270 nan 0.000 0.465 309 A N 0.968 123.812 122.820 0.040 0.000 2.366 309 A HA 0.625 4.945 4.320 -0.000 0.000 0.272 309 A C -0.268 177.328 177.584 0.020 0.000 1.135 309 A CA -0.022 52.037 52.037 0.038 0.000 0.804 309 A CB 0.600 19.624 19.000 0.040 0.000 1.064 309 A HN 0.282 nan 8.150 nan 0.000 0.499 310 A N 2.173 125.006 122.820 0.021 0.000 2.608 310 A HA 0.683 5.003 4.320 -0.000 0.000 0.292 310 A C -0.878 176.718 177.584 0.020 0.000 1.066 310 A CA -0.763 51.278 52.037 0.008 0.000 0.676 310 A CB 1.105 20.096 19.000 -0.014 0.000 1.277 310 A HN 0.834 nan 8.150 nan 0.000 0.413 311 K N 2.081 122.489 120.400 0.013 0.000 2.292 311 K HA 0.532 4.852 4.320 -0.000 0.000 0.270 311 K C -0.452 176.154 176.600 0.010 0.000 1.062 311 K CA -0.394 55.910 56.287 0.029 0.000 0.916 311 K CB 0.141 32.659 32.500 0.031 0.000 1.166 311 K HN 0.598 nan 8.250 nan 0.000 0.458 312 M N 3.177 122.786 119.600 0.015 0.000 2.245 312 M HA 0.112 4.592 4.480 -0.000 0.000 0.344 312 M C 0.388 176.721 176.300 0.055 0.000 1.170 312 M CA -0.311 54.997 55.300 0.013 0.000 1.135 312 M CB -0.179 32.448 32.600 0.045 0.000 1.574 312 M HN 0.705 nan 8.290 nan 0.000 0.452 313 N N 1.650 120.397 118.700 0.077 0.000 2.381 313 N HA 0.095 4.835 4.740 -0.000 0.000 0.254 313 N C 0.110 175.703 175.510 0.138 0.000 1.264 313 N CA -0.305 52.809 53.050 0.106 0.000 0.942 313 N CB 0.435 38.987 38.487 0.109 0.000 1.190 313 N HN 0.408 nan 8.380 nan 0.000 0.495 314 D N -0.136 120.320 120.400 0.093 0.000 2.149 314 D HA -0.152 4.487 4.640 -0.000 0.000 0.198 314 D C 1.670 177.999 176.300 0.048 0.000 0.990 314 D CA 1.926 55.963 54.000 0.061 0.000 0.839 314 D CB -0.627 40.196 40.800 0.038 0.000 0.948 314 D HN 0.731 nan 8.370 nan 0.000 0.460 315 A N -0.075 122.785 122.820 0.066 0.000 1.978 315 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 315 A C 1.777 179.264 177.584 -0.162 0.000 1.170 315 A CA 1.025 53.042 52.037 -0.034 0.000 0.636 315 A CB -0.711 18.287 19.000 -0.003 0.000 0.810 315 A HN 0.187 nan 8.150 nan 0.000 0.448 316 F N -1.805 118.133 119.950 -0.020 0.000 2.749 316 F HA 0.373 4.900 4.527 -0.000 0.000 0.300 316 F C 1.798 177.572 175.800 -0.043 0.000 1.103 316 F CA 0.836 58.819 58.000 -0.028 0.000 1.342 316 F CB 0.769 39.756 39.000 -0.022 0.000 1.098 316 F HN 0.363 nan 8.300 nan 0.000 0.586 317 G N -1.100 107.748 108.800 0.080 0.000 2.273 317 G HA2 0.009 3.969 3.960 -0.000 0.000 0.162 317 G HA3 0.009 3.969 3.960 -0.000 0.000 0.162 317 G C 1.171 176.071 174.900 0.000 0.000 1.006 317 G CA -0.240 44.864 45.100 0.007 0.000 0.704 317 G HN 0.786 nan 8.290 nan 0.000 0.487 318 G N -0.453 108.369 108.800 0.037 0.000 2.189 318 G HA2 0.114 4.073 3.960 -0.000 0.000 0.267 318 G HA3 0.114 4.073 3.960 -0.000 0.000 0.267 318 G C 1.490 176.385 174.900 -0.009 0.000 0.975 318 G CA 1.285 46.406 45.100 0.035 0.000 0.644 318 G HN 2.036 nan 8.290 nan 0.000 0.537 319 G N -0.372 108.372 108.800 -0.094 0.000 2.684 319 G HA2 0.649 4.609 3.960 -0.000 0.000 0.255 319 G HA3 0.649 4.609 3.960 -0.000 0.000 0.255 319 G C 0.321 175.184 174.900 -0.061 0.000 1.219 319 G CA 1.138 46.096 45.100 -0.237 0.000 0.901 319 G HN 1.837 nan 8.290 nan 0.000 0.548 320 S N -1.510 114.182 115.700 -0.014 0.000 2.570 320 S HA 0.625 5.094 4.470 -0.000 0.000 0.270 320 S C -1.545 173.126 174.600 0.120 0.000 1.149 320 S CA -0.845 57.431 58.200 0.127 0.000 0.837 320 S CB 2.032 65.387 63.200 0.258 0.000 1.124 320 S HN 0.999 nan 8.310 nan 0.000 0.465 321 L N 1.790 123.066 121.223 0.089 0.000 2.406 321 L HA 0.648 4.988 4.340 -0.000 0.000 0.270 321 L C -0.629 176.268 176.870 0.045 0.000 0.982 321 L CA 0.209 55.094 54.840 0.075 0.000 0.843 321 L CB 1.655 43.758 42.059 0.074 0.000 1.225 321 L HN 0.953 nan 8.230 nan 0.000 0.412 322 T N 3.894 118.464 114.554 0.025 0.000 2.845 322 T HA 0.816 5.166 4.350 -0.000 0.000 0.288 322 T C -0.190 174.491 174.700 -0.031 0.000 0.980 322 T CA -0.187 61.912 62.100 -0.002 0.000 1.071 322 T CB 1.356 70.215 68.868 -0.014 0.000 0.941 322 T HN 0.762 nan 8.240 nan 0.000 0.487 323 A N 3.147 125.952 122.820 -0.027 0.000 2.342 323 A HA 0.761 5.081 4.320 -0.000 0.000 0.323 323 A C -0.601 176.949 177.584 -0.055 0.000 1.125 323 A CA -0.734 51.273 52.037 -0.050 0.000 0.785 323 A CB 0.641 19.683 19.000 0.069 0.000 1.221 323 A HN 0.852 nan 8.150 nan 0.000 0.463 324 L N 4.444 125.603 121.223 -0.107 0.000 2.457 324 L HA 0.326 4.666 4.340 -0.000 0.000 0.252 324 L C -2.370 174.463 176.870 -0.063 0.000 1.132 324 L CA -1.702 53.092 54.840 -0.077 0.000 0.938 324 L CB 1.590 43.606 42.059 -0.071 0.000 1.246 324 L HN 0.506 nan 8.230 nan 0.000 0.476 325 P HA 0.170 nan 4.420 nan 0.000 0.274 325 P C -0.579 176.686 177.300 -0.058 0.000 1.231 325 P CA -0.189 62.928 63.100 0.029 0.000 0.790 325 P CB 2.214 33.893 31.700 -0.036 0.000 0.951 326 V N 3.885 123.760 119.914 -0.066 0.000 2.540 326 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 326 V C 0.200 176.244 176.094 -0.085 0.000 1.035 326 V CA -0.615 61.644 62.300 -0.070 0.000 0.873 326 V CB 1.809 33.606 31.823 -0.043 0.000 0.992 326 V HN 0.421 nan 8.190 nan 0.000 0.428 327 I N 3.478 124.001 120.570 -0.078 0.000 2.465 327 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 327 I C 0.008 176.110 176.117 -0.024 0.000 1.014 327 I CA -0.467 60.796 61.300 -0.062 0.000 1.093 327 I CB 2.083 40.037 38.000 -0.077 0.000 1.267 327 I HN 0.775 nan 8.210 nan 0.000 0.431 328 E N 5.004 125.202 120.200 -0.002 0.000 2.146 328 E HA 0.358 4.708 4.350 -0.000 0.000 0.282 328 E C -0.419 176.202 176.600 0.034 0.000 0.989 328 E CA -0.399 56.011 56.400 0.017 0.000 0.799 328 E CB 1.044 30.758 29.700 0.023 0.000 1.088 328 E HN 0.697 nan 8.360 nan 0.000 0.397 329 T N 2.150 116.731 114.554 0.044 0.000 2.847 329 T HA 0.298 4.648 4.350 -0.000 0.000 0.279 329 T C -0.049 174.685 174.700 0.057 0.000 0.984 329 T CA -0.959 61.177 62.100 0.061 0.000 0.988 329 T CB 1.332 70.248 68.868 0.080 0.000 1.040 329 T HN 0.364 nan 8.240 nan 0.000 0.528 330 Q N 0.245 120.082 119.800 0.063 0.000 2.327 330 Q HA 0.547 4.887 4.340 -0.000 0.000 0.270 330 Q C 0.298 176.330 176.000 0.054 0.000 1.022 330 Q CA -0.274 55.563 55.803 0.057 0.000 0.773 330 Q CB 1.305 30.081 28.738 0.064 0.000 1.251 330 Q HN 1.219 nan 8.270 nan 0.000 0.457 331 A N 2.150 124.999 122.820 0.048 0.000 2.704 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.299 331 A C 1.185 178.798 177.584 0.048 0.000 1.507 331 A CA 1.682 53.746 52.037 0.045 0.000 0.776 331 A CB -2.065 16.959 19.000 0.040 0.000 1.027 331 A HN 1.613 nan 8.150 nan 0.000 0.475 332 G N -1.304 107.529 108.800 0.055 0.000 2.184 332 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 332 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 332 G C 0.014 174.949 174.900 0.058 0.000 0.975 332 G CA 0.975 46.110 45.100 0.057 0.000 0.642 332 G HN 1.611 nan 8.290 nan 0.000 0.536 333 D N 1.047 121.485 120.400 0.062 0.000 2.470 333 D HA 0.371 5.011 4.640 -0.000 0.000 0.226 333 D C 1.866 178.216 176.300 0.082 0.000 1.196 333 D CA 0.336 54.374 54.000 0.064 0.000 0.979 333 D CB 0.473 41.312 40.800 0.065 0.000 1.059 333 D HN 0.639 nan 8.370 nan 0.000 0.515 334 V N 1.004 120.970 119.914 0.086 0.000 3.573 334 V HA 0.076 4.196 4.120 -0.000 0.000 0.270 334 V C 1.349 177.508 176.094 0.110 0.000 1.221 334 V CA 0.483 62.859 62.300 0.127 0.000 1.163 334 V CB -0.070 31.860 31.823 0.179 0.000 0.847 334 V HN 0.275 nan 8.190 nan 0.000 0.468 335 S N 0.698 116.451 115.700 0.087 0.000 2.572 335 S HA 0.639 5.109 4.470 -0.000 0.000 0.228 335 S C 1.113 175.779 174.600 0.111 0.000 0.963 335 S CA 0.273 58.528 58.200 0.090 0.000 0.939 335 S CB -0.016 63.224 63.200 0.068 0.000 0.804 335 S HN 0.872 nan 8.310 nan 0.000 0.480 336 A N 0.306 123.195 122.820 0.115 0.000 2.310 336 A HA 0.425 4.745 4.320 -0.000 0.000 0.260 336 A C 0.748 178.443 177.584 0.185 0.000 1.112 336 A CA -0.187 51.937 52.037 0.145 0.000 0.804 336 A CB -0.085 18.993 19.000 0.129 0.000 1.081 336 A HN 0.491 nan 8.150 nan 0.000 0.499 337 Y N 0.000 120.335 120.300 0.058 0.000 2.089 337 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 337 Y C 1.892 177.787 175.900 -0.007 0.000 1.139 337 Y CA 1.845 59.965 58.100 0.034 0.000 1.123 337 Y CB -0.027 38.461 38.460 0.048 0.000 0.980 337 Y HN 0.488 nan 8.280 nan 0.000 0.493 338 I N 0.635 121.064 120.570 -0.235 0.000 2.252 338 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 338 I C -0.615 175.422 176.117 -0.133 0.000 1.102 338 I CA 1.179 62.292 61.300 -0.312 0.000 1.385 338 I CB -2.831 35.003 38.000 -0.277 0.000 1.064 338 I HN 0.214 nan 8.210 nan 0.000 0.414 339 P HA -0.131 nan 4.420 nan 0.000 0.215 339 P C 1.860 179.172 177.300 0.020 0.000 1.157 339 P CA 1.884 64.985 63.100 0.001 0.000 0.874 339 P CB -0.171 31.561 31.700 0.055 0.000 0.790 340 T N -0.412 114.168 114.554 0.044 0.000 2.624 340 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 340 T C 1.611 176.351 174.700 0.068 0.000 1.041 340 T CA 1.888 64.033 62.100 0.075 0.000 1.159 340 T CB -1.091 67.848 68.868 0.119 0.000 0.863 340 T HN 0.129 nan 8.240 nan 0.000 0.434 341 N N 0.762 119.459 118.700 -0.004 0.000 2.025 341 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 341 N C 1.976 177.478 175.510 -0.012 0.000 1.044 341 N CA 1.079 54.164 53.050 0.059 0.000 0.851 341 N CB -0.934 37.486 38.487 -0.111 0.000 1.036 341 N HN 0.245 nan 8.380 nan 0.000 0.422 342 V N 1.524 121.393 119.914 -0.075 0.000 2.548 342 V HA -0.080 4.039 4.120 -0.000 0.000 0.249 342 V C 2.242 178.295 176.094 -0.069 0.000 1.055 342 V CA 0.844 63.072 62.300 -0.120 0.000 1.065 342 V CB -0.429 31.288 31.823 -0.177 0.000 0.681 342 V HN 0.237 nan 8.190 nan 0.000 0.462 343 I N 1.395 121.955 120.570 -0.017 0.000 2.208 343 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 343 I C 2.639 178.783 176.117 0.045 0.000 1.097 343 I CA 2.018 63.328 61.300 0.018 0.000 1.363 343 I CB -0.407 37.645 38.000 0.086 0.000 1.051 343 I HN 0.506 nan 8.210 nan 0.000 0.413 344 S N 0.707 116.459 115.700 0.085 0.000 2.414 344 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 344 S C 1.933 176.595 174.600 0.104 0.000 1.022 344 S CA 0.484 58.756 58.200 0.119 0.000 0.958 344 S CB -0.653 62.659 63.200 0.186 0.000 0.797 344 S HN 0.381 nan 8.310 nan 0.000 0.493 345 I N 2.696 123.299 120.570 0.055 0.000 2.315 345 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 345 I C 1.589 177.696 176.117 -0.017 0.000 1.117 345 I CA 1.024 62.317 61.300 -0.011 0.000 1.404 345 I CB -0.921 36.980 38.000 -0.166 0.000 1.071 345 I HN 0.440 nan 8.210 nan 0.000 0.419 346 T N -2.203 112.333 114.554 -0.029 0.000 2.816 346 T HA 0.106 4.456 4.350 -0.000 0.000 0.282 346 T C 0.620 175.313 174.700 -0.011 0.000 0.993 346 T CA -0.640 61.440 62.100 -0.034 0.000 0.994 346 T CB 1.087 69.920 68.868 -0.060 0.000 1.025 346 T HN 0.055 nan 8.240 nan 0.000 0.529 347 D N 0.252 120.643 120.400 -0.014 0.000 2.347 347 D HA 0.262 4.902 4.640 -0.000 0.000 0.213 347 D C 1.000 177.297 176.300 -0.005 0.000 0.985 347 D CA 0.586 54.584 54.000 -0.004 0.000 0.879 347 D CB 0.140 40.937 40.800 -0.005 0.000 0.919 347 D HN 0.869 nan 8.370 nan 0.000 0.526 348 G N -0.120 108.667 108.800 -0.022 0.000 2.368 348 G HA2 0.403 4.363 3.960 -0.000 0.000 0.293 348 G HA3 0.403 4.363 3.960 -0.000 0.000 0.293 348 G C -1.945 172.903 174.900 -0.086 0.000 1.467 348 G CA -0.766 44.318 45.100 -0.026 0.000 0.804 348 G HN -0.094 nan 8.290 nan 0.000 0.535 349 Q N -0.617 119.109 119.800 -0.123 0.000 2.331 349 Q HA 0.640 4.980 4.340 -0.000 0.000 0.272 349 Q C -0.732 175.070 176.000 -0.329 0.000 1.062 349 Q CA -0.424 55.170 55.803 -0.347 0.000 0.806 349 Q CB 2.825 31.143 28.738 -0.700 0.000 1.312 349 Q HN 0.559 nan 8.270 nan 0.000 0.431 350 I N 2.782 123.153 120.570 -0.332 0.000 2.307 350 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 350 I C -0.871 175.081 176.117 -0.275 0.000 1.021 350 I CA -0.315 60.870 61.300 -0.192 0.000 1.224 350 I CB 0.380 38.322 38.000 -0.097 0.000 1.376 350 I HN 0.473 nan 8.210 nan 0.000 0.470 351 F N 6.859 126.815 119.950 0.010 0.000 2.391 351 F HA 0.437 4.964 4.527 -0.000 0.000 0.359 351 F C 0.155 175.966 175.800 0.017 0.000 1.122 351 F CA -0.450 57.557 58.000 0.012 0.000 1.120 351 F CB 0.732 39.740 39.000 0.014 0.000 1.142 351 F HN 0.172 nan 8.300 nan 0.000 0.483 352 L N 3.844 125.166 121.223 0.164 0.000 2.334 352 L HA 0.548 4.887 4.340 -0.000 0.000 0.275 352 L C -0.459 176.485 176.870 0.123 0.000 1.036 352 L CA -0.731 54.180 54.840 0.118 0.000 0.807 352 L CB 1.646 43.746 42.059 0.068 0.000 1.231 352 L HN 0.570 nan 8.230 nan 0.000 0.438 353 E N 0.535 120.800 120.200 0.109 0.000 2.272 353 E HA 0.231 4.581 4.350 -0.000 0.000 0.269 353 E C -0.084 176.579 176.600 0.105 0.000 0.877 353 E CA -0.532 55.926 56.400 0.098 0.000 0.755 353 E CB 2.257 32.012 29.700 0.091 0.000 1.192 353 E HN 0.527 nan 8.360 nan 0.000 0.422 354 T N 1.419 116.027 114.554 0.090 0.000 2.699 354 T HA -0.220 4.129 4.350 -0.000 0.000 0.268 354 T C 1.442 176.274 174.700 0.221 0.000 1.036 354 T CA 1.663 63.835 62.100 0.120 0.000 1.147 354 T CB -0.007 68.950 68.868 0.147 0.000 0.862 354 T HN 0.465 nan 8.240 nan 0.000 0.446 355 E N 0.289 120.599 120.200 0.184 0.000 2.072 355 E HA 0.003 4.353 4.350 -0.000 0.000 0.190 355 E C 2.219 178.919 176.600 0.166 0.000 0.982 355 E CA 0.588 57.102 56.400 0.190 0.000 0.803 355 E CB -0.183 29.593 29.700 0.126 0.000 0.755 355 E HN 0.418 nan 8.360 nan 0.000 0.453 356 L N 0.007 121.305 121.223 0.126 0.000 2.012 356 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 356 L C 2.355 179.267 176.870 0.070 0.000 1.073 356 L CA 1.098 55.992 54.840 0.090 0.000 0.748 356 L CB -0.517 41.589 42.059 0.078 0.000 0.891 356 L HN 0.189 nan 8.230 nan 0.000 0.431 357 F N 0.098 120.000 119.950 -0.080 0.000 2.091 357 F HA -0.331 4.196 4.527 -0.000 0.000 0.299 357 F C 2.293 177.939 175.800 -0.257 0.000 1.103 357 F CA 1.843 59.709 58.000 -0.225 0.000 1.228 357 F CB -0.316 38.450 39.000 -0.390 0.000 0.984 357 F HN -0.055 nan 8.300 nan 0.000 0.477 358 Y N -0.452 119.991 120.300 0.239 0.000 2.475 358 Y HA -0.009 4.541 4.550 -0.000 0.000 0.289 358 Y C 2.121 178.045 175.900 0.040 0.000 1.121 358 Y CA 0.638 58.824 58.100 0.144 0.000 1.257 358 Y CB -0.290 38.279 38.460 0.180 0.000 1.026 358 Y HN -0.074 nan 8.280 nan 0.000 0.555 359 K N -0.316 120.171 120.400 0.145 0.000 2.442 359 K HA -0.007 4.313 4.320 -0.000 0.000 0.198 359 K C 1.441 178.051 176.600 0.016 0.000 1.042 359 K CA 0.846 57.181 56.287 0.080 0.000 0.958 359 K CB -0.185 32.358 32.500 0.072 0.000 0.766 359 K HN 0.487 nan 8.250 nan 0.000 0.474 360 G N 0.782 109.548 108.800 -0.057 0.000 2.195 360 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.224 360 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.224 360 G C 0.056 174.877 174.900 -0.132 0.000 0.990 360 G CA -0.339 44.693 45.100 -0.113 0.000 0.639 360 G HN 0.118 nan 8.290 nan 0.000 0.514 361 I N 2.426 122.937 120.570 -0.098 0.000 2.455 361 I HA 0.295 4.464 4.170 -0.000 0.000 0.303 361 I C 0.818 176.854 176.117 -0.134 0.000 1.180 361 I CA 0.279 61.534 61.300 -0.075 0.000 1.469 361 I CB -0.935 37.058 38.000 -0.012 0.000 1.480 361 I HN 0.174 nan 8.210 nan 0.000 0.669 362 R N 7.096 127.487 120.500 -0.180 0.000 2.439 362 R HA 0.441 4.781 4.340 -0.000 0.000 0.310 362 R C -2.491 173.744 176.300 -0.109 0.000 0.955 362 R CA -1.664 54.312 56.100 -0.207 0.000 0.853 362 R CB 2.185 32.242 30.300 -0.404 0.000 1.171 362 R HN 0.226 nan 8.270 nan 0.000 0.449 363 P HA 0.023 nan 4.420 nan 0.000 0.271 363 P C -0.365 176.938 177.300 0.005 0.000 1.218 363 P CA -0.193 62.894 63.100 -0.021 0.000 0.780 363 P CB 0.993 32.688 31.700 -0.009 0.000 0.901 364 A N 4.176 127.034 122.820 0.063 0.000 2.916 364 A HA 0.200 4.520 4.320 -0.000 0.000 0.254 364 A C 0.676 178.309 177.584 0.082 0.000 1.544 364 A CA -0.327 51.762 52.037 0.086 0.000 1.224 364 A CB -1.504 17.611 19.000 0.192 0.000 1.012 364 A HN 0.481 nan 8.150 nan 0.000 0.636 365 I N 1.135 121.742 120.570 0.062 0.000 2.416 365 I HA 0.045 4.214 4.170 -0.000 0.000 0.288 365 I C 0.470 176.636 176.117 0.082 0.000 1.051 365 I CA -0.394 60.950 61.300 0.073 0.000 1.375 365 I CB 0.727 38.758 38.000 0.052 0.000 1.407 365 I HN 0.319 nan 8.210 nan 0.000 0.516 366 N N 6.386 125.154 118.700 0.114 0.000 2.402 366 N HA 0.054 4.794 4.740 -0.000 0.000 0.252 366 N C 0.470 176.039 175.510 0.098 0.000 1.118 366 N CA 0.205 53.312 53.050 0.095 0.000 0.945 366 N CB 1.476 40.015 38.487 0.087 0.000 1.147 366 N HN 0.441 nan 8.380 nan 0.000 0.495 367 V N 3.524 123.479 119.914 0.069 0.000 2.951 367 V HA 0.034 4.154 4.120 -0.000 0.000 0.255 367 V C 1.984 178.110 176.094 0.053 0.000 1.088 367 V CA 1.627 63.965 62.300 0.063 0.000 1.109 367 V CB -0.215 31.638 31.823 0.050 0.000 0.724 367 V HN 0.789 nan 8.190 nan 0.000 0.471 368 G N -0.675 108.147 108.800 0.037 0.000 2.421 368 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.217 368 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.217 368 G C 1.448 176.356 174.900 0.013 0.000 1.143 368 G CA 0.627 45.736 45.100 0.015 0.000 0.784 368 G HN 0.478 nan 8.290 nan 0.000 0.541 369 L N 0.460 121.695 121.223 0.020 0.000 2.316 369 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 369 L C 1.141 178.128 176.870 0.194 0.000 1.070 369 L CA -0.096 54.738 54.840 -0.009 0.000 0.820 369 L CB -0.146 41.772 42.059 -0.237 0.000 0.992 369 L HN 0.004 nan 8.230 nan 0.000 0.466 370 S N 0.273 116.142 115.700 0.282 0.000 2.558 370 S HA 0.230 4.700 4.470 -0.000 0.000 0.288 370 S C -0.237 174.465 174.600 0.169 0.000 1.318 370 S CA -0.057 58.323 58.200 0.300 0.000 1.056 370 S CB 1.801 65.106 63.200 0.174 0.000 0.853 370 S HN 0.063 nan 8.310 nan 0.000 0.505 371 V N 1.911 121.905 119.914 0.133 0.000 3.012 371 V HA 0.730 4.850 4.120 -0.000 0.000 0.307 371 V C -0.965 175.152 176.094 0.039 0.000 1.166 371 V CA -0.501 61.848 62.300 0.082 0.000 0.974 371 V CB 2.577 34.458 31.823 0.097 0.000 1.040 371 V HN 0.829 nan 8.190 nan 0.000 0.428 372 S N 5.177 120.893 115.700 0.026 0.000 2.605 372 S HA 0.530 5.000 4.470 -0.000 0.000 0.308 372 S C 0.577 175.185 174.600 0.013 0.000 1.113 372 S CA -0.653 57.553 58.200 0.010 0.000 1.049 372 S CB 1.584 64.786 63.200 0.003 0.000 1.001 372 S HN 0.791 nan 8.310 nan 0.000 0.480 373 R N 2.891 123.398 120.500 0.012 0.000 2.193 373 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 373 R C 1.663 177.968 176.300 0.008 0.000 1.055 373 R CA 0.985 57.093 56.100 0.013 0.000 0.995 373 R CB -0.250 30.060 30.300 0.016 0.000 0.893 373 R HN 0.581 nan 8.270 nan 0.000 0.459 374 V N 0.346 120.262 119.914 0.003 0.000 2.307 374 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 374 V C 1.753 177.847 176.094 -0.000 0.000 1.045 374 V CA 1.654 63.953 62.300 -0.001 0.000 1.024 374 V CB -0.998 30.821 31.823 -0.007 0.000 0.651 374 V HN 0.680 nan 8.190 nan 0.000 0.449 375 G N 0.239 109.040 108.800 0.001 0.000 2.596 375 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.295 375 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.295 375 G C 1.077 175.976 174.900 -0.001 0.000 1.240 375 G CA 0.701 45.803 45.100 0.003 0.000 0.985 375 G HN 0.404 nan 8.290 nan 0.000 0.555 376 S N 0.470 116.171 115.700 0.001 0.000 2.400 376 S HA -0.145 4.325 4.470 -0.000 0.000 0.234 376 S C 2.777 177.374 174.600 -0.005 0.000 1.049 376 S CA 2.551 60.751 58.200 -0.001 0.000 1.039 376 S CB -0.729 62.472 63.200 0.002 0.000 0.856 376 S HN 1.756 nan 8.310 nan 0.000 0.465 377 A N 0.473 123.289 122.820 -0.005 0.000 2.131 377 A HA 0.195 4.515 4.320 -0.000 0.000 0.220 377 A C 1.818 179.392 177.584 -0.016 0.000 1.158 377 A CA 1.489 53.520 52.037 -0.009 0.000 0.665 377 A CB -0.460 18.536 19.000 -0.006 0.000 0.795 377 A HN 0.547 nan 8.150 nan 0.000 0.460 378 A N -1.388 121.420 122.820 -0.018 0.000 2.535 378 A HA 0.424 4.744 4.320 -0.000 0.000 0.273 378 A C 0.455 178.021 177.584 -0.030 0.000 1.267 378 A CA -0.293 51.726 52.037 -0.030 0.000 0.940 378 A CB 0.130 19.112 19.000 -0.030 0.000 1.101 378 A HN 0.524 nan 8.150 nan 0.000 0.521 379 Q N 0.684 120.471 119.800 -0.021 0.000 2.342 379 Q HA 0.439 4.779 4.340 -0.000 0.000 0.267 379 Q C -0.162 175.829 176.000 -0.015 0.000 1.038 379 Q CA -0.580 55.214 55.803 -0.015 0.000 0.832 379 Q CB 2.019 30.754 28.738 -0.005 0.000 1.323 379 Q HN 0.488 nan 8.270 nan 0.000 0.448 380 T N -1.307 113.238 114.554 -0.014 0.000 2.813 380 T HA 0.186 4.535 4.350 -0.000 0.000 0.297 380 T C 0.998 175.697 174.700 -0.000 0.000 1.036 380 T CA -0.366 61.727 62.100 -0.010 0.000 1.044 380 T CB 0.959 69.822 68.868 -0.008 0.000 0.993 380 T HN 0.600 nan 8.240 nan 0.000 0.535 381 R N 0.821 121.321 120.500 0.001 0.000 2.091 381 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 381 R C 2.754 179.064 176.300 0.016 0.000 1.136 381 R CA 1.551 57.655 56.100 0.007 0.000 0.959 381 R CB -0.866 29.438 30.300 0.007 0.000 0.856 381 R HN 0.852 nan 8.270 nan 0.000 0.437 382 A N 0.512 123.342 122.820 0.017 0.000 1.898 382 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 382 A C 2.058 179.664 177.584 0.035 0.000 1.181 382 A CA 1.359 53.413 52.037 0.028 0.000 0.620 382 A CB -0.374 18.640 19.000 0.023 0.000 0.819 382 A HN 0.238 nan 8.150 nan 0.000 0.442 383 M N 0.097 119.713 119.600 0.027 0.000 2.086 383 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 383 M C 1.928 178.243 176.300 0.025 0.000 1.067 383 M CA 2.185 57.502 55.300 0.028 0.000 1.116 383 M CB -0.577 32.036 32.600 0.020 0.000 1.348 383 M HN 0.384 nan 8.290 nan 0.000 0.407 384 K N -0.511 119.899 120.400 0.017 0.000 2.089 384 K HA -0.303 4.017 4.320 -0.000 0.000 0.210 384 K C 2.181 178.791 176.600 0.017 0.000 1.048 384 K CA 2.252 58.547 56.287 0.014 0.000 0.926 384 K CB -0.293 32.212 32.500 0.009 0.000 0.714 384 K HN 0.634 nan 8.250 nan 0.000 0.448 385 Q N 0.157 119.972 119.800 0.024 0.000 1.948 385 Q HA -0.181 4.159 4.340 -0.000 0.000 0.205 385 Q C 2.067 178.082 176.000 0.026 0.000 0.992 385 Q CA 2.715 58.534 55.803 0.028 0.000 0.849 385 Q CB -0.110 28.654 28.738 0.043 0.000 0.918 385 Q HN 0.347 nan 8.270 nan 0.000 0.421 386 V N -1.566 118.372 119.914 0.040 0.000 2.515 386 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 386 V C 2.181 178.284 176.094 0.015 0.000 1.058 386 V CA 1.706 64.025 62.300 0.032 0.000 1.064 386 V CB -1.517 30.347 31.823 0.068 0.000 0.675 386 V HN 0.445 nan 8.190 nan 0.000 0.461 387 A N 1.534 124.365 122.820 0.019 0.000 1.933 387 A HA 0.026 4.345 4.320 -0.000 0.000 0.218 387 A C 2.408 179.995 177.584 0.005 0.000 1.175 387 A CA 2.016 54.060 52.037 0.012 0.000 0.628 387 A CB -1.511 17.498 19.000 0.014 0.000 0.814 387 A HN 0.700 nan 8.150 nan 0.000 0.444 388 G N -1.181 107.622 108.800 0.005 0.000 2.440 388 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 388 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 388 G C 1.579 176.475 174.900 -0.006 0.000 1.154 388 G CA 1.664 46.765 45.100 0.001 0.000 0.767 388 G HN 0.430 nan 8.290 nan 0.000 0.552 389 T N 0.620 115.166 114.554 -0.013 0.000 2.777 389 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 389 T C 2.281 176.964 174.700 -0.028 0.000 1.040 389 T CA 1.244 63.328 62.100 -0.027 0.000 1.141 389 T CB -0.177 68.665 68.868 -0.043 0.000 0.868 389 T HN 0.225 nan 8.240 nan 0.000 0.444 390 M N 0.871 120.456 119.600 -0.024 0.000 2.065 390 M HA -0.156 4.324 4.480 -0.000 0.000 0.259 390 M C 2.332 178.625 176.300 -0.010 0.000 1.069 390 M CA 1.759 57.044 55.300 -0.024 0.000 1.110 390 M CB -0.161 32.430 32.600 -0.016 0.000 1.328 390 M HN 0.076 nan 8.290 nan 0.000 0.405 391 K N 0.136 120.535 120.400 -0.001 0.000 2.015 391 K HA -0.274 4.046 4.320 -0.000 0.000 0.216 391 K C 1.890 178.494 176.600 0.007 0.000 1.052 391 K CA 2.177 58.468 56.287 0.007 0.000 0.937 391 K CB -0.535 31.970 32.500 0.008 0.000 0.719 391 K HN 0.333 nan 8.250 nan 0.000 0.446 392 L N 1.786 123.009 121.223 0.000 0.000 1.990 392 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 392 L C 1.887 178.759 176.870 0.003 0.000 1.072 392 L CA 1.959 56.799 54.840 -0.000 0.000 0.755 392 L CB -0.427 41.628 42.059 -0.007 0.000 0.889 392 L HN 0.290 nan 8.230 nan 0.000 0.432 393 E N -0.669 119.527 120.200 -0.006 0.000 2.153 393 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 393 E C 2.295 178.913 176.600 0.031 0.000 0.988 393 E CA 1.336 57.732 56.400 -0.005 0.000 0.811 393 E CB -0.231 29.445 29.700 -0.040 0.000 0.746 393 E HN 0.538 nan 8.360 nan 0.000 0.466 394 L N 0.460 121.705 121.223 0.035 0.000 2.072 394 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 394 L C 2.576 179.509 176.870 0.104 0.000 1.079 394 L CA 0.739 55.636 54.840 0.094 0.000 0.752 394 L CB -0.378 41.719 42.059 0.063 0.000 0.906 394 L HN 0.136 nan 8.230 nan 0.000 0.436 395 A N -0.178 122.670 122.820 0.047 0.000 1.883 395 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 395 A C 2.169 179.757 177.584 0.007 0.000 1.186 395 A CA 1.736 53.784 52.037 0.018 0.000 0.624 395 A CB -0.517 18.487 19.000 0.007 0.000 0.822 395 A HN 0.498 nan 8.150 nan 0.000 0.444 396 Q N -2.238 117.576 119.800 0.023 0.000 2.224 396 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 396 Q C 1.947 177.964 176.000 0.029 0.000 0.970 396 Q CA 1.465 57.276 55.803 0.013 0.000 0.865 396 Q CB -0.319 28.430 28.738 0.019 0.000 0.922 396 Q HN 0.841 nan 8.270 nan 0.000 0.445 397 Y N 1.614 121.873 120.300 -0.068 0.000 2.133 397 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 397 Y C 2.086 177.919 175.900 -0.110 0.000 1.134 397 Y CA 1.486 59.537 58.100 -0.083 0.000 1.133 397 Y CB -0.136 38.285 38.460 -0.065 0.000 0.987 397 Y HN -0.143 nan 8.280 nan 0.000 0.502 398 R N 0.416 120.752 120.500 -0.272 0.000 2.117 398 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 398 R C 2.179 178.279 176.300 -0.335 0.000 1.143 398 R CA 1.938 57.828 56.100 -0.350 0.000 0.968 398 R CB -0.304 29.905 30.300 -0.151 0.000 0.863 398 R HN 0.550 nan 8.270 nan 0.000 0.444 399 E N -0.479 119.572 120.200 -0.248 0.000 2.160 399 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 399 E C 1.424 177.759 176.600 -0.441 0.000 0.991 399 E CA 1.366 57.623 56.400 -0.239 0.000 0.810 399 E CB 0.191 29.808 29.700 -0.138 0.000 0.742 399 E HN 0.179 nan 8.360 nan 0.000 0.466 400 V N -0.139 119.433 119.914 -0.570 0.000 3.645 400 V HA 0.141 4.261 4.120 -0.000 0.000 0.275 400 V C 1.746 177.297 176.094 -0.904 0.000 1.356 400 V CA 0.701 62.433 62.300 -0.947 0.000 1.051 400 V CB 0.674 32.214 31.823 -0.471 0.000 0.828 400 V HN 0.188 nan 8.190 nan 0.000 0.441 401 A N 0.679 123.070 122.820 -0.714 0.000 2.194 401 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 401 A C 2.096 179.519 177.584 -0.270 0.000 1.162 401 A CA 1.852 53.534 52.037 -0.592 0.000 0.674 401 A CB -0.261 18.270 19.000 -0.783 0.000 0.789 401 A HN 0.597 nan 8.150 nan 0.000 0.470 402 A N -1.477 121.182 122.820 -0.267 0.000 2.238 402 A HA 0.394 4.714 4.320 -0.000 0.000 0.210 402 A C 1.313 179.104 177.584 0.346 0.000 1.179 402 A CA -0.006 52.052 52.037 0.034 0.000 0.827 402 A CB -0.430 18.599 19.000 0.048 0.000 0.856 402 A HN 0.563 nan 8.150 nan 0.000 0.488 403 F N -0.830 119.152 119.950 0.053 0.000 2.732 403 F HA 0.219 4.745 4.527 -0.000 0.000 0.303 403 F C 2.246 178.115 175.800 0.115 0.000 1.110 403 F CA -0.085 57.973 58.000 0.097 0.000 1.355 403 F CB 0.055 39.087 39.000 0.054 0.000 1.081 403 F HN 0.296 nan 8.300 nan 0.000 0.565 404 A N 0.789 123.753 122.820 0.240 0.000 1.841 404 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 404 A C 1.988 179.645 177.584 0.122 0.000 1.195 404 A CA 1.205 53.339 52.037 0.160 0.000 0.611 404 A CB -0.529 18.547 19.000 0.125 0.000 0.835 404 A HN 0.382 nan 8.150 nan 0.000 0.443 405 Q N -2.114 117.756 119.800 0.116 0.000 2.320 405 Q HA 0.224 4.564 4.340 -0.000 0.000 0.201 405 Q C -0.722 175.058 176.000 -0.367 0.000 0.910 405 Q CA 0.021 55.764 55.803 -0.100 0.000 0.946 405 Q CB 0.202 28.852 28.738 -0.147 0.000 1.062 405 Q HN 0.676 nan 8.270 nan 0.000 0.503 406 F N -0.616 119.379 119.950 0.075 0.000 2.733 406 F HA 0.351 4.878 4.527 -0.000 0.000 0.380 406 F C 0.410 176.241 175.800 0.051 0.000 1.324 406 F CA -0.623 57.409 58.000 0.054 0.000 1.178 406 F CB 1.617 40.648 39.000 0.051 0.000 1.093 406 F HN -0.158 nan 8.300 nan 0.000 0.512 407 G N -0.410 108.481 108.800 0.153 0.000 2.990 407 G HA2 0.424 4.384 3.960 -0.000 0.000 0.300 407 G HA3 0.424 4.384 3.960 -0.000 0.000 0.300 407 G C 0.052 174.991 174.900 0.065 0.000 1.498 407 G CA -0.225 44.949 45.100 0.123 0.000 1.074 407 G HN 0.168 nan 8.290 nan 0.000 0.542 408 S N 1.480 117.206 115.700 0.044 0.000 2.510 408 S HA 0.053 4.523 4.470 -0.000 0.000 0.230 408 S C 0.611 175.225 174.600 0.024 0.000 1.066 408 S CA 0.411 58.625 58.200 0.025 0.000 0.941 408 S CB 0.309 63.517 63.200 0.014 0.000 0.829 408 S HN 0.491 nan 8.310 nan 0.000 0.530 409 D N 1.630 122.043 120.400 0.021 0.000 3.035 409 D HA 0.382 5.022 4.640 -0.000 0.000 0.290 409 D C -1.092 175.219 176.300 0.017 0.000 1.360 409 D CA -0.195 53.813 54.000 0.015 0.000 0.862 409 D CB 0.018 40.821 40.800 0.005 0.000 1.078 409 D HN 0.148 nan 8.370 nan 0.000 0.487 410 L N 0.898 122.143 121.223 0.035 0.000 2.418 410 L HA 0.272 4.612 4.340 -0.000 0.000 0.265 410 L C 0.905 177.799 176.870 0.041 0.000 1.143 410 L CA -0.887 53.982 54.840 0.050 0.000 0.809 410 L CB 0.312 42.429 42.059 0.097 0.000 1.124 410 L HN 0.091 nan 8.230 nan 0.000 0.456 411 D N 1.323 121.747 120.400 0.041 0.000 2.399 411 D HA 0.053 4.693 4.640 -0.000 0.000 0.241 411 D C 0.945 177.265 176.300 0.033 0.000 1.133 411 D CA 0.142 54.161 54.000 0.031 0.000 0.890 411 D CB 1.326 42.142 40.800 0.027 0.000 1.201 411 D HN 0.663 nan 8.370 nan 0.000 0.432 412 A N 2.364 125.197 122.820 0.022 0.000 1.986 412 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 412 A C 2.223 179.817 177.584 0.016 0.000 1.171 412 A CA 2.231 54.278 52.037 0.016 0.000 0.640 412 A CB -0.837 18.168 19.000 0.007 0.000 0.811 412 A HN 0.761 nan 8.150 nan 0.000 0.451 413 A N -0.507 122.324 122.820 0.019 0.000 1.933 413 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 413 A C 2.388 179.989 177.584 0.030 0.000 1.175 413 A CA 2.437 54.484 52.037 0.017 0.000 0.628 413 A CB -1.071 17.940 19.000 0.018 0.000 0.814 413 A HN 0.831 nan 8.150 nan 0.000 0.444 414 T N -3.567 111.017 114.554 0.050 0.000 3.051 414 T HA 0.035 4.385 4.350 -0.000 0.000 0.255 414 T C 1.734 176.480 174.700 0.078 0.000 1.085 414 T CA 0.908 63.052 62.100 0.074 0.000 1.109 414 T CB -0.183 68.757 68.868 0.120 0.000 0.921 414 T HN 0.524 nan 8.240 nan 0.000 0.488 415 Q N 0.434 120.271 119.800 0.061 0.000 2.224 415 Q HA -0.109 4.230 4.340 -0.000 0.000 0.203 415 Q C 2.375 178.391 176.000 0.027 0.000 0.970 415 Q CA 1.409 57.242 55.803 0.050 0.000 0.865 415 Q CB -0.176 28.582 28.738 0.035 0.000 0.922 415 Q HN 0.494 nan 8.270 nan 0.000 0.445 416 Q N 0.837 120.645 119.800 0.014 0.000 2.123 416 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 416 Q C 1.729 177.723 176.000 -0.011 0.000 0.966 416 Q CA 1.303 57.100 55.803 -0.011 0.000 0.845 416 Q CB -0.117 28.610 28.738 -0.018 0.000 0.907 416 Q HN 0.385 nan 8.270 nan 0.000 0.439 417 L N -0.397 120.840 121.223 0.022 0.000 2.017 417 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 417 L C 2.387 179.316 176.870 0.099 0.000 1.073 417 L CA 1.027 55.897 54.840 0.051 0.000 0.745 417 L CB -0.570 41.531 42.059 0.071 0.000 0.894 417 L HN 0.253 nan 8.230 nan 0.000 0.432 418 L N -1.020 120.282 121.223 0.133 0.000 2.013 418 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 418 L C 2.758 179.616 176.870 -0.021 0.000 1.073 418 L CA 1.357 56.307 54.840 0.183 0.000 0.753 418 L CB -0.513 41.638 42.059 0.152 0.000 0.890 418 L HN 0.210 nan 8.230 nan 0.000 0.432 419 S N -0.821 114.854 115.700 -0.043 0.000 2.345 419 S HA -0.178 4.292 4.470 -0.000 0.000 0.219 419 S C 2.030 176.530 174.600 -0.167 0.000 1.031 419 S CA 1.107 59.250 58.200 -0.096 0.000 0.984 419 S CB -0.143 63.019 63.200 -0.063 0.000 0.874 419 S HN 0.240 nan 8.310 nan 0.000 0.451 420 R N 1.396 121.803 120.500 -0.154 0.000 2.105 420 R HA -0.055 4.285 4.340 -0.000 0.000 0.239 420 R C 2.133 178.260 176.300 -0.288 0.000 1.135 420 R CA 1.926 57.916 56.100 -0.184 0.000 0.967 420 R CB -1.220 28.997 30.300 -0.138 0.000 0.861 420 R HN 0.391 nan 8.270 nan 0.000 0.442 421 G N -0.379 108.151 108.800 -0.450 0.000 2.421 421 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.216 421 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.216 421 G C 1.431 175.703 174.900 -1.048 0.000 1.171 421 G CA 1.109 45.610 45.100 -0.999 0.000 0.775 421 G HN 0.369 nan 8.290 nan 0.000 0.543 422 V N -0.895 118.557 119.914 -0.770 0.000 2.626 422 V HA 0.047 4.167 4.120 -0.000 0.000 0.252 422 V C 2.551 178.495 176.094 -0.249 0.000 1.067 422 V CA 2.027 64.091 62.300 -0.393 0.000 1.081 422 V CB -0.517 31.204 31.823 -0.170 0.000 0.686 422 V HN 0.269 nan 8.190 nan 0.000 0.468 423 R N -0.075 120.276 120.500 -0.248 0.000 2.062 423 R HA 0.233 4.573 4.340 -0.000 0.000 0.226 423 R C 2.407 178.604 176.300 -0.171 0.000 1.125 423 R CA 1.726 57.714 56.100 -0.187 0.000 0.966 423 R CB -0.502 29.685 30.300 -0.188 0.000 0.861 423 R HN 0.464 nan 8.270 nan 0.000 0.433 424 L N 0.024 121.132 121.223 -0.191 0.000 2.079 424 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 424 L C 2.161 178.967 176.870 -0.106 0.000 1.081 424 L CA 1.434 56.190 54.840 -0.140 0.000 0.752 424 L CB -0.682 41.294 42.059 -0.138 0.000 0.896 424 L HN 0.313 nan 8.230 nan 0.000 0.433 425 T N -0.916 113.559 114.554 -0.133 0.000 2.720 425 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 425 T C 1.764 176.432 174.700 -0.053 0.000 1.037 425 T CA 1.193 63.249 62.100 -0.073 0.000 1.144 425 T CB -0.127 68.699 68.868 -0.070 0.000 0.864 425 T HN 0.317 nan 8.240 nan 0.000 0.444 426 E N 1.096 121.255 120.200 -0.068 0.000 2.153 426 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 426 E C 2.235 178.815 176.600 -0.033 0.000 0.988 426 E CA 0.661 57.034 56.400 -0.046 0.000 0.811 426 E CB -0.372 29.297 29.700 -0.052 0.000 0.746 426 E HN 0.481 nan 8.360 nan 0.000 0.466 427 L N 0.267 121.465 121.223 -0.042 0.000 2.275 427 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 427 L C 2.279 179.145 176.870 -0.006 0.000 1.119 427 L CA 0.451 55.280 54.840 -0.019 0.000 0.790 427 L CB -0.200 41.841 42.059 -0.030 0.000 0.919 427 L HN 0.088 nan 8.230 nan 0.000 0.443 428 L N -0.786 120.429 121.223 -0.014 0.000 2.446 428 L HA -0.003 4.337 4.340 -0.000 0.000 0.219 428 L C 0.960 177.823 176.870 -0.011 0.000 1.116 428 L CA 0.180 55.016 54.840 -0.007 0.000 0.844 428 L CB -0.130 41.926 42.059 -0.005 0.000 0.970 428 L HN 0.097 nan 8.230 nan 0.000 0.457 429 K N 1.465 121.854 120.400 -0.017 0.000 2.436 429 K HA 0.090 4.410 4.320 -0.000 0.000 0.275 429 K C -0.099 176.489 176.600 -0.020 0.000 0.999 429 K CA 0.495 56.766 56.287 -0.028 0.000 0.980 429 K CB 0.514 32.996 32.500 -0.030 0.000 0.919 429 K HN 0.012 nan 8.250 nan 0.000 0.484 430 Q N 0.794 120.573 119.800 -0.034 0.000 2.327 430 Q HA 0.289 4.628 4.340 -0.000 0.000 0.265 430 Q C -0.739 175.232 176.000 -0.048 0.000 0.993 430 Q CA -0.572 55.215 55.803 -0.028 0.000 0.885 430 Q CB 1.668 30.392 28.738 -0.022 0.000 1.379 430 Q HN 0.772 nan 8.270 nan 0.000 0.408 431 G N 1.884 110.663 108.800 -0.035 0.000 2.664 431 G HA2 0.096 4.056 3.960 -0.000 0.000 0.242 431 G HA3 0.096 4.056 3.960 -0.000 0.000 0.242 431 G C -0.639 174.212 174.900 -0.083 0.000 1.225 431 G CA -0.176 44.897 45.100 -0.045 0.000 0.849 431 G HN 0.640 nan 8.290 nan 0.000 0.581 432 Q N -1.054 118.663 119.800 -0.138 0.000 2.260 432 Q HA 0.348 4.688 4.340 -0.000 0.000 0.242 432 Q C -0.360 175.500 176.000 -0.234 0.000 0.932 432 Q CA -0.584 55.010 55.803 -0.349 0.000 0.891 432 Q CB 0.486 28.854 28.738 -0.617 0.000 1.222 432 Q HN 0.675 nan 8.270 nan 0.000 0.453 433 Y N -0.503 119.795 120.300 -0.003 0.000 4.841 433 Y HA -0.282 4.268 4.550 -0.000 0.000 0.242 433 Y C -0.179 175.713 175.900 -0.013 0.000 1.002 433 Y CA 0.540 58.634 58.100 -0.011 0.000 2.011 433 Y CB -2.012 36.440 38.460 -0.013 0.000 1.554 433 Y HN 0.498 nan 8.280 nan 0.000 0.618 434 S N -0.617 115.128 115.700 0.076 0.000 2.112 434 S HA 0.408 4.878 4.470 -0.000 0.000 0.151 434 S C -2.418 172.189 174.600 0.012 0.000 1.723 434 S CA -1.193 57.033 58.200 0.043 0.000 1.263 434 S CB 1.248 64.469 63.200 0.036 0.000 1.194 434 S HN 0.064 nan 8.310 nan 0.000 0.419 435 P HA 0.208 nan 4.420 nan 0.000 0.268 435 P C -0.587 176.702 177.300 -0.018 0.000 1.205 435 P CA -0.053 63.046 63.100 -0.002 0.000 0.771 435 P CB 0.535 32.236 31.700 0.002 0.000 0.858 436 M N 1.674 121.266 119.600 -0.013 0.000 2.472 436 M HA 0.515 4.994 4.480 -0.000 0.000 0.331 436 M C 0.550 176.837 176.300 -0.021 0.000 1.170 436 M CA -0.874 54.414 55.300 -0.020 0.000 1.009 436 M CB 1.938 34.535 32.600 -0.006 0.000 1.672 436 M HN 0.323 nan 8.290 nan 0.000 0.453 437 A N 1.425 124.221 122.820 -0.040 0.000 2.386 437 A HA 0.217 4.536 4.320 -0.000 0.000 0.248 437 A C 0.944 178.535 177.584 0.011 0.000 1.082 437 A CA -0.366 51.654 52.037 -0.028 0.000 0.789 437 A CB 0.097 19.063 19.000 -0.056 0.000 1.025 437 A HN 0.958 nan 8.150 nan 0.000 0.490 438 I N 0.625 121.223 120.570 0.046 0.000 2.208 438 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 438 I C 2.519 178.651 176.117 0.024 0.000 1.097 438 I CA 2.420 63.745 61.300 0.043 0.000 1.363 438 I CB -0.249 37.785 38.000 0.056 0.000 1.051 438 I HN 0.851 nan 8.210 nan 0.000 0.413 439 E N 0.267 120.474 120.200 0.012 0.000 2.150 439 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 439 E C 1.818 178.410 176.600 -0.014 0.000 0.985 439 E CA 1.351 57.748 56.400 -0.004 0.000 0.814 439 E CB -0.691 28.998 29.700 -0.017 0.000 0.752 439 E HN 0.628 nan 8.360 nan 0.000 0.466 440 E N 1.057 121.244 120.200 -0.021 0.000 2.085 440 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 440 E C 2.328 178.941 176.600 0.021 0.000 0.994 440 E CA 1.595 57.982 56.400 -0.022 0.000 0.801 440 E CB -0.068 29.611 29.700 -0.036 0.000 0.743 440 E HN 0.404 nan 8.360 nan 0.000 0.453 441 Q N 0.127 119.943 119.800 0.027 0.000 2.084 441 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 441 Q C 2.595 178.634 176.000 0.066 0.000 0.978 441 Q CA 1.710 57.539 55.803 0.045 0.000 0.844 441 Q CB -0.249 28.511 28.738 0.036 0.000 0.898 441 Q HN 0.335 nan 8.270 nan 0.000 0.426 442 V N -0.875 119.075 119.914 0.060 0.000 2.427 442 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 442 V C 2.115 178.287 176.094 0.130 0.000 1.051 442 V CA 1.742 64.094 62.300 0.086 0.000 1.048 442 V CB -0.836 31.029 31.823 0.069 0.000 0.666 442 V HN 0.287 nan 8.190 nan 0.000 0.456 443 A N 0.348 123.226 122.820 0.096 0.000 1.883 443 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 443 A C 2.425 180.189 177.584 0.300 0.000 1.186 443 A CA 2.566 54.691 52.037 0.147 0.000 0.624 443 A CB -1.094 17.951 19.000 0.075 0.000 0.822 443 A HN 0.542 nan 8.150 nan 0.000 0.444 444 V N -0.038 120.029 119.914 0.254 0.000 2.295 444 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 444 V C 2.444 178.622 176.094 0.139 0.000 1.049 444 V CA 2.177 64.613 62.300 0.227 0.000 1.024 444 V CB -0.650 31.274 31.823 0.168 0.000 0.648 444 V HN 0.574 nan 8.190 nan 0.000 0.447 445 I N -1.218 119.425 120.570 0.122 0.000 2.252 445 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 445 I C 2.384 178.558 176.117 0.095 0.000 1.102 445 I CA 1.921 63.267 61.300 0.078 0.000 1.385 445 I CB -0.482 37.555 38.000 0.062 0.000 1.064 445 I HN 0.363 nan 8.210 nan 0.000 0.414 446 Y N 1.827 122.145 120.300 0.030 0.000 2.096 446 Y HA -0.434 4.116 4.550 -0.000 0.000 0.278 446 Y C 2.537 178.468 175.900 0.052 0.000 1.192 446 Y CA 1.940 60.066 58.100 0.044 0.000 1.143 446 Y CB -0.346 38.155 38.460 0.068 0.000 0.963 446 Y HN 0.166 nan 8.280 nan 0.000 0.505 447 A N 0.108 123.093 122.820 0.275 0.000 1.908 447 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 447 A C 2.447 180.020 177.584 -0.018 0.000 1.181 447 A CA 2.024 54.141 52.037 0.135 0.000 0.627 447 A CB -1.757 17.165 19.000 -0.131 0.000 0.818 447 A HN 0.650 nan 8.150 nan 0.000 0.445 448 G N -0.498 108.251 108.800 -0.085 0.000 2.394 448 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 448 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 448 G C 1.517 176.317 174.900 -0.167 0.000 1.176 448 G CA 1.572 46.586 45.100 -0.143 0.000 0.786 448 G HN 1.053 nan 8.290 nan 0.000 0.533 449 V N -1.966 117.855 119.914 -0.155 0.000 3.305 449 V HA 0.214 4.334 4.120 -0.000 0.000 0.269 449 V C 2.111 178.043 176.094 -0.271 0.000 1.157 449 V CA 0.968 63.160 62.300 -0.181 0.000 1.157 449 V CB -0.342 31.400 31.823 -0.135 0.000 0.772 449 V HN 0.136 nan 8.190 nan 0.000 0.498 450 R N 0.668 120.944 120.500 -0.373 0.000 2.334 450 R HA 0.350 4.690 4.340 -0.000 0.000 0.212 450 R C 1.730 177.647 176.300 -0.640 0.000 0.897 450 R CA 0.757 56.542 56.100 -0.524 0.000 1.056 450 R CB 0.542 30.429 30.300 -0.688 0.000 1.046 450 R HN 0.780 nan 8.270 nan 0.000 0.513 451 G N 0.268 108.785 108.800 -0.471 0.000 2.179 451 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 451 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 451 G C 0.614 175.284 174.900 -0.382 0.000 0.990 451 G CA -0.014 44.844 45.100 -0.404 0.000 0.646 451 G HN 0.376 nan 8.290 nan 0.000 0.517 452 Y N 0.316 120.509 120.300 -0.178 0.000 2.421 452 Y HA 0.210 4.760 4.550 -0.000 0.000 0.292 452 Y C 2.556 178.317 175.900 -0.232 0.000 1.136 452 Y CA 1.344 59.343 58.100 -0.167 0.000 1.255 452 Y CB 0.048 38.422 38.460 -0.144 0.000 0.991 452 Y HN 0.359 nan 8.280 nan 0.000 0.552 453 L N -0.721 120.394 121.223 -0.180 0.000 2.667 453 L HA 0.074 4.414 4.340 -0.000 0.000 0.232 453 L C 0.796 177.549 176.870 -0.195 0.000 1.138 453 L CA -0.049 54.619 54.840 -0.287 0.000 0.921 453 L CB -0.011 41.794 42.059 -0.422 0.000 1.180 453 L HN 0.044 nan 8.230 nan 0.000 0.487 454 D N 1.154 121.463 120.400 -0.153 0.000 2.263 454 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 454 D C 1.751 178.000 176.300 -0.086 0.000 0.971 454 D CA 1.248 55.174 54.000 -0.124 0.000 0.867 454 D CB 0.269 40.994 40.800 -0.125 0.000 0.929 454 D HN 0.244 nan 8.370 nan 0.000 0.492 455 K N -0.617 119.743 120.400 -0.067 0.000 2.355 455 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 455 K C 0.062 176.650 176.600 -0.019 0.000 1.039 455 K CA -0.408 55.859 56.287 -0.033 0.000 1.075 455 K CB 0.842 33.334 32.500 -0.013 0.000 0.870 455 K HN -0.041 nan 8.250 nan 0.000 0.540 456 L N 2.705 123.900 121.223 -0.046 0.000 2.361 456 L HA 0.067 4.407 4.340 -0.000 0.000 0.278 456 L C -0.222 176.638 176.870 -0.018 0.000 1.113 456 L CA 0.263 55.091 54.840 -0.021 0.000 0.849 456 L CB 0.428 42.423 42.059 -0.107 0.000 1.155 456 L HN 0.048 nan 8.230 nan 0.000 0.452 457 E N 6.680 126.895 120.200 0.025 0.000 2.465 457 E HA -0.054 4.296 4.350 -0.000 0.000 0.260 457 E C -1.558 175.050 176.600 0.014 0.000 0.980 457 E CA -0.909 55.502 56.400 0.019 0.000 0.927 457 E CB 0.603 30.324 29.700 0.035 0.000 0.934 457 E HN 0.519 nan 8.360 nan 0.000 0.459 458 P HA -0.219 nan 4.420 nan 0.000 0.217 458 P C 1.104 178.408 177.300 0.006 0.000 1.148 458 P CA 1.314 64.402 63.100 -0.021 0.000 0.828 458 P CB 0.190 31.875 31.700 -0.026 0.000 0.783 459 S N -1.274 114.443 115.700 0.028 0.000 2.481 459 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 459 S C 1.621 176.272 174.600 0.084 0.000 0.996 459 S CA 0.686 58.913 58.200 0.045 0.000 0.942 459 S CB -0.652 62.573 63.200 0.040 0.000 0.768 459 S HN 0.178 nan 8.310 nan 0.000 0.520 460 K N 0.549 121.018 120.400 0.115 0.000 2.361 460 K HA 0.259 4.579 4.320 -0.000 0.000 0.196 460 K C 1.456 178.184 176.600 0.213 0.000 1.039 460 K CA 0.171 56.592 56.287 0.224 0.000 1.001 460 K CB -0.101 32.594 32.500 0.325 0.000 0.795 460 K HN 0.291 nan 8.250 nan 0.000 0.495 461 I N 1.715 122.337 120.570 0.088 0.000 2.163 461 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 461 I C 2.472 178.656 176.117 0.111 0.000 1.085 461 I CA 1.972 63.288 61.300 0.026 0.000 1.347 461 I CB -1.752 36.215 38.000 -0.056 0.000 1.044 461 I HN 0.295 nan 8.210 nan 0.000 0.408 462 T N -1.504 113.111 114.554 0.102 0.000 2.951 462 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 462 T C 1.918 176.705 174.700 0.144 0.000 1.073 462 T CA 0.884 63.047 62.100 0.104 0.000 1.134 462 T CB -0.171 68.735 68.868 0.064 0.000 0.884 462 T HN 0.275 nan 8.240 nan 0.000 0.479 463 K N 0.184 120.702 120.400 0.195 0.000 2.025 463 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 463 K C 2.046 178.811 176.600 0.275 0.000 1.049 463 K CA 1.270 57.716 56.287 0.265 0.000 0.933 463 K CB -0.426 32.292 32.500 0.364 0.000 0.714 463 K HN 0.401 nan 8.250 nan 0.000 0.438 464 F N 2.280 122.218 119.950 -0.021 0.000 2.065 464 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 464 F C 2.388 178.129 175.800 -0.097 0.000 1.112 464 F CA 2.183 59.923 58.000 -0.433 0.000 1.212 464 F CB -0.195 38.432 39.000 -0.621 0.000 0.975 464 F HN 0.204 nan 8.300 nan 0.000 0.476 465 E N 0.101 120.458 120.200 0.262 0.000 2.047 465 E HA -0.292 4.057 4.350 -0.000 0.000 0.191 465 E C 2.025 178.680 176.600 0.092 0.000 0.987 465 E CA 1.344 57.883 56.400 0.231 0.000 0.799 465 E CB -0.452 29.375 29.700 0.211 0.000 0.752 465 E HN 0.526 nan 8.360 nan 0.000 0.449 466 N N 0.315 119.067 118.700 0.086 0.000 2.061 466 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 466 N C 1.669 177.205 175.510 0.043 0.000 1.030 466 N CA 2.119 55.207 53.050 0.063 0.000 0.856 466 N CB -0.235 38.301 38.487 0.081 0.000 1.023 466 N HN 0.215 nan 8.380 nan 0.000 0.424 467 A N -0.538 122.324 122.820 0.069 0.000 1.898 467 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 467 A C 2.136 179.722 177.584 0.003 0.000 1.181 467 A CA 1.134 53.254 52.037 0.138 0.000 0.620 467 A CB -1.133 18.066 19.000 0.332 0.000 0.819 467 A HN 0.504 nan 8.150 nan 0.000 0.442 468 F N 0.051 119.675 119.950 -0.543 0.000 2.171 468 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 468 F C 1.750 177.271 175.800 -0.465 0.000 1.090 468 F CA 1.652 59.029 58.000 -1.038 0.000 1.293 468 F CB -0.214 38.032 39.000 -1.257 0.000 1.013 468 F HN 0.184 nan 8.300 nan 0.000 0.486 469 L N -0.381 120.643 121.223 -0.331 0.000 2.131 469 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 469 L C 2.447 179.169 176.870 -0.247 0.000 1.087 469 L CA 1.649 56.296 54.840 -0.321 0.000 0.767 469 L CB -0.910 41.089 42.059 -0.099 0.000 0.917 469 L HN 0.061 nan 8.230 nan 0.000 0.441 470 S N -1.235 114.386 115.700 -0.131 0.000 2.370 470 S HA -0.287 4.183 4.470 -0.000 0.000 0.226 470 S C 1.909 176.472 174.600 -0.062 0.000 1.033 470 S CA 1.529 59.691 58.200 -0.063 0.000 1.011 470 S CB -0.593 62.613 63.200 0.009 0.000 0.852 470 S HN 0.675 nan 8.310 nan 0.000 0.457 471 H N 2.027 120.987 119.070 -0.183 0.000 2.267 471 H HA -0.092 4.464 4.556 -0.000 0.000 0.297 471 H C 2.132 177.348 175.328 -0.187 0.000 1.080 471 H CA 2.267 58.227 56.048 -0.145 0.000 1.278 471 H CB -0.757 28.924 29.762 -0.134 0.000 1.365 471 H HN 0.225 nan 8.280 nan 0.000 0.489 472 V N -0.890 118.699 119.914 -0.542 0.000 2.407 472 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 472 V C 2.565 178.487 176.094 -0.287 0.000 1.055 472 V CA 2.016 64.025 62.300 -0.486 0.000 1.049 472 V CB -0.921 30.509 31.823 -0.655 0.000 0.662 472 V HN 0.440 nan 8.190 nan 0.000 0.455 473 I N 0.752 121.173 120.570 -0.249 0.000 2.315 473 I HA -0.185 3.984 4.170 -0.000 0.000 0.248 473 I C 2.855 178.888 176.117 -0.141 0.000 1.117 473 I CA 1.814 63.015 61.300 -0.164 0.000 1.404 473 I CB -0.357 37.565 38.000 -0.130 0.000 1.071 473 I HN 0.448 nan 8.210 nan 0.000 0.419 474 S N 0.285 115.898 115.700 -0.145 0.000 2.329 474 S HA -0.172 4.298 4.470 -0.000 0.000 0.215 474 S C 1.865 176.362 174.600 -0.172 0.000 1.031 474 S CA 1.344 59.473 58.200 -0.118 0.000 0.985 474 S CB -0.018 63.148 63.200 -0.057 0.000 0.917 474 S HN 0.428 nan 8.310 nan 0.000 0.441 475 Q N -1.216 118.418 119.800 -0.277 0.000 2.319 475 Q HA 0.160 4.500 4.340 -0.000 0.000 0.202 475 Q C -0.195 175.422 176.000 -0.637 0.000 0.896 475 Q CA 0.258 55.810 55.803 -0.418 0.000 0.942 475 Q CB 0.463 28.922 28.738 -0.465 0.000 1.083 475 Q HN 0.650 nan 8.270 nan 0.000 0.510 476 H N -1.064 117.847 119.070 -0.265 0.000 2.790 476 H HA 0.098 4.654 4.556 -0.000 0.000 0.232 476 H C 0.653 175.874 175.328 -0.179 0.000 1.313 476 H CA -0.147 55.768 56.048 -0.222 0.000 1.011 476 H CB 0.745 30.341 29.762 -0.277 0.000 2.105 476 H HN -0.043 nan 8.280 nan 0.000 0.580 477 Q N 1.058 120.806 119.800 -0.088 0.000 2.234 477 Q HA -0.068 4.272 4.340 -0.000 0.000 0.206 477 Q C 2.028 177.995 176.000 -0.056 0.000 0.980 477 Q CA 1.619 57.376 55.803 -0.077 0.000 0.869 477 Q CB 0.032 28.721 28.738 -0.082 0.000 0.912 477 Q HN 0.645 nan 8.270 nan 0.000 0.436 478 A N -0.373 122.420 122.820 -0.046 0.000 1.898 478 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 478 A C 2.004 179.575 177.584 -0.023 0.000 1.183 478 A CA 0.822 52.840 52.037 -0.032 0.000 0.622 478 A CB -0.619 18.363 19.000 -0.030 0.000 0.824 478 A HN 0.455 nan 8.150 nan 0.000 0.444 479 L N -0.351 120.867 121.223 -0.009 0.000 2.046 479 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 479 L C 2.408 179.241 176.870 -0.061 0.000 1.077 479 L CA 1.421 56.238 54.840 -0.038 0.000 0.747 479 L CB -0.286 41.732 42.059 -0.067 0.000 0.896 479 L HN 0.426 nan 8.230 nan 0.000 0.432 480 L N -0.978 120.207 121.223 -0.063 0.000 2.072 480 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 480 L C 2.609 179.450 176.870 -0.047 0.000 1.079 480 L CA 1.166 55.966 54.840 -0.066 0.000 0.752 480 L CB -1.121 40.891 42.059 -0.079 0.000 0.906 480 L HN 0.316 nan 8.230 nan 0.000 0.436 481 G N -0.215 108.561 108.800 -0.041 0.000 2.485 481 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 481 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 481 G C 1.739 176.624 174.900 -0.025 0.000 1.115 481 G CA 0.929 46.010 45.100 -0.031 0.000 0.751 481 G HN 0.267 nan 8.290 nan 0.000 0.567 482 K N -0.548 119.835 120.400 -0.028 0.000 2.244 482 K HA 0.321 4.641 4.320 -0.000 0.000 0.200 482 K C 2.353 178.939 176.600 -0.024 0.000 1.052 482 K CA -0.115 56.158 56.287 -0.023 0.000 0.980 482 K CB -0.063 32.422 32.500 -0.024 0.000 0.838 482 K HN 0.248 nan 8.250 nan 0.000 0.481 483 I N 1.017 121.567 120.570 -0.033 0.000 2.264 483 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 483 I C 2.516 178.624 176.117 -0.015 0.000 1.111 483 I CA 1.204 62.486 61.300 -0.030 0.000 1.382 483 I CB -0.148 37.825 38.000 -0.046 0.000 1.060 483 I HN 0.207 nan 8.210 nan 0.000 0.418 484 R N 0.376 120.867 120.500 -0.014 0.000 2.061 484 R HA -0.163 4.177 4.340 -0.000 0.000 0.230 484 R C 2.327 178.625 176.300 -0.003 0.000 1.140 484 R CA 2.230 58.328 56.100 -0.004 0.000 0.940 484 R CB -0.477 29.822 30.300 -0.002 0.000 0.839 484 R HN 0.135 nan 8.270 nan 0.000 0.429 485 T N 1.006 115.556 114.554 -0.006 0.000 2.684 485 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 485 T C 0.845 175.542 174.700 -0.004 0.000 1.036 485 T CA 1.787 63.884 62.100 -0.005 0.000 1.148 485 T CB -0.338 68.526 68.868 -0.007 0.000 0.863 485 T HN 0.345 nan 8.240 nan 0.000 0.436 486 D N -0.019 120.378 120.400 -0.005 0.000 2.378 486 D HA 0.177 4.817 4.640 -0.000 0.000 0.227 486 D C 1.742 178.042 176.300 -0.000 0.000 1.012 486 D CA 0.821 54.820 54.000 -0.003 0.000 0.905 486 D CB -0.555 40.243 40.800 -0.003 0.000 0.895 486 D HN 0.497 nan 8.370 nan 0.000 0.532 487 G N 0.735 109.535 108.800 -0.001 0.000 2.674 487 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.236 487 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.236 487 G C 0.766 175.669 174.900 0.005 0.000 1.178 487 G CA 1.410 46.510 45.100 0.001 0.000 0.721 487 G HN 0.583 nan 8.290 nan 0.000 0.515 488 K N -0.473 119.931 120.400 0.007 0.000 2.082 488 K HA 0.821 5.141 4.320 -0.000 0.000 0.246 488 K C -0.297 176.310 176.600 0.012 0.000 1.061 488 K CA -0.977 55.319 56.287 0.014 0.000 0.952 488 K CB 0.682 33.194 32.500 0.020 0.000 1.513 488 K HN 0.255 nan 8.250 nan 0.000 0.631 489 I N 2.839 123.424 120.570 0.025 0.000 2.337 489 I HA 0.191 4.361 4.170 -0.000 0.000 0.285 489 I C -0.234 175.899 176.117 0.027 0.000 1.041 489 I CA -0.723 60.590 61.300 0.021 0.000 1.199 489 I CB 1.442 39.475 38.000 0.055 0.000 1.370 489 I HN 0.718 nan 8.210 nan 0.000 0.470 490 S N 3.197 118.903 115.700 0.011 0.000 2.596 490 S HA 0.154 4.623 4.470 -0.000 0.000 0.260 490 S C 1.013 175.627 174.600 0.024 0.000 1.336 490 S CA -0.467 57.742 58.200 0.015 0.000 0.993 490 S CB 1.106 64.309 63.200 0.006 0.000 0.923 490 S HN 0.656 nan 8.310 nan 0.000 0.567 491 E N 0.483 120.700 120.200 0.027 0.000 2.130 491 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 491 E C 1.959 178.575 176.600 0.027 0.000 0.998 491 E CA 1.633 58.054 56.400 0.034 0.000 0.806 491 E CB -0.120 29.597 29.700 0.030 0.000 0.738 491 E HN 0.840 nan 8.360 nan 0.000 0.459 492 E N -0.208 120.000 120.200 0.014 0.000 2.047 492 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 492 E C 2.011 178.605 176.600 -0.010 0.000 0.987 492 E CA 1.230 57.633 56.400 0.005 0.000 0.799 492 E CB 0.121 29.823 29.700 0.002 0.000 0.752 492 E HN 0.030 nan 8.360 nan 0.000 0.449 493 S N 0.671 116.357 115.700 -0.023 0.000 2.382 493 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 493 S C 1.522 176.068 174.600 -0.091 0.000 1.027 493 S CA 1.150 59.311 58.200 -0.065 0.000 0.991 493 S CB -0.308 62.850 63.200 -0.070 0.000 0.823 493 S HN 0.322 nan 8.310 nan 0.000 0.469 494 D N 1.467 121.856 120.400 -0.020 0.000 2.104 494 D HA -0.061 4.579 4.640 -0.000 0.000 0.194 494 D C 2.102 178.443 176.300 0.067 0.000 0.994 494 D CA 1.360 55.396 54.000 0.059 0.000 0.830 494 D CB -0.314 40.565 40.800 0.132 0.000 0.959 494 D HN 0.342 nan 8.370 nan 0.000 0.452 495 A N 0.483 123.329 122.820 0.044 0.000 1.877 495 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 495 A C 2.161 179.750 177.584 0.008 0.000 1.186 495 A CA 2.094 54.156 52.037 0.042 0.000 0.620 495 A CB -0.501 18.520 19.000 0.034 0.000 0.822 495 A HN 0.196 nan 8.150 nan 0.000 0.443 496 K N -0.297 120.087 120.400 -0.027 0.000 2.097 496 K HA 0.000 4.320 4.320 -0.000 0.000 0.206 496 K C 1.778 178.305 176.600 -0.121 0.000 1.049 496 K CA 1.252 57.502 56.287 -0.062 0.000 0.933 496 K CB -0.356 32.103 32.500 -0.069 0.000 0.717 496 K HN 0.461 nan 8.250 nan 0.000 0.442 497 L N 0.370 121.498 121.223 -0.159 0.000 2.072 497 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 497 L C 2.513 179.312 176.870 -0.118 0.000 1.079 497 L CA 1.211 55.915 54.840 -0.225 0.000 0.752 497 L CB -0.341 41.375 42.059 -0.571 0.000 0.906 497 L HN 0.224 nan 8.230 nan 0.000 0.436 498 K N -0.075 120.314 120.400 -0.018 0.000 2.074 498 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 498 K C 1.947 178.493 176.600 -0.091 0.000 1.048 498 K CA 1.512 57.785 56.287 -0.023 0.000 0.926 498 K CB 0.164 32.742 32.500 0.128 0.000 0.713 498 K HN 0.211 nan 8.250 nan 0.000 0.444 499 E N 0.482 120.663 120.200 -0.031 0.000 2.122 499 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 499 E C 2.110 178.721 176.600 0.018 0.000 0.977 499 E CA 0.744 57.146 56.400 0.002 0.000 0.820 499 E CB -0.132 29.584 29.700 0.026 0.000 0.770 499 E HN 0.413 nan 8.360 nan 0.000 0.462 500 I N 0.772 121.333 120.570 -0.015 0.000 2.208 500 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 500 I C 2.337 178.550 176.117 0.159 0.000 1.097 500 I CA 0.939 62.269 61.300 0.050 0.000 1.363 500 I CB -0.231 37.697 38.000 -0.119 0.000 1.051 500 I HN -0.062 nan 8.210 nan 0.000 0.413 501 V N 0.623 120.544 119.914 0.010 0.000 2.346 501 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 501 V C 2.688 178.761 176.094 -0.034 0.000 1.037 501 V CA 2.287 64.537 62.300 -0.082 0.000 1.029 501 V CB -1.009 30.531 31.823 -0.472 0.000 0.663 501 V HN 0.609 nan 8.190 nan 0.000 0.454 502 T N -1.027 113.451 114.554 -0.126 0.000 2.684 502 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 502 T C 1.750 176.512 174.700 0.104 0.000 1.036 502 T CA 1.921 64.027 62.100 0.010 0.000 1.148 502 T CB -0.527 68.359 68.868 0.030 0.000 0.863 502 T HN 0.398 nan 8.240 nan 0.000 0.436 503 N N 0.451 119.221 118.700 0.117 0.000 2.171 503 N HA 0.041 4.781 4.740 -0.000 0.000 0.184 503 N C 1.571 177.176 175.510 0.158 0.000 1.021 503 N CA 1.012 54.136 53.050 0.124 0.000 0.854 503 N CB -0.493 38.065 38.487 0.118 0.000 0.994 503 N HN 0.461 nan 8.380 nan 0.000 0.426 504 F N 1.853 121.848 119.950 0.075 0.000 2.075 504 F HA -0.170 4.356 4.527 -0.000 0.000 0.297 504 F C 2.326 178.213 175.800 0.145 0.000 1.113 504 F CA 0.878 58.922 58.000 0.074 0.000 1.218 504 F CB -0.424 38.641 39.000 0.109 0.000 0.984 504 F HN -0.070 nan 8.300 nan 0.000 0.472 505 L N 0.923 122.424 121.223 0.463 0.000 1.990 505 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 505 L C 2.513 179.536 176.870 0.255 0.000 1.072 505 L CA 2.272 57.368 54.840 0.426 0.000 0.755 505 L CB -1.334 40.919 42.059 0.324 0.000 0.889 505 L HN 0.201 nan 8.230 nan 0.000 0.432 506 A N -0.543 122.372 122.820 0.159 0.000 1.892 506 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 506 A C 2.355 179.966 177.584 0.044 0.000 1.188 506 A CA 1.949 54.042 52.037 0.093 0.000 0.631 506 A CB -1.737 17.305 19.000 0.070 0.000 0.822 506 A HN 0.587 nan 8.150 nan 0.000 0.447 507 G N -1.689 107.104 108.800 -0.011 0.000 2.418 507 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 507 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 507 G C 1.462 176.293 174.900 -0.115 0.000 1.158 507 G CA 1.100 46.136 45.100 -0.106 0.000 0.771 507 G HN 0.481 nan 8.290 nan 0.000 0.545 508 F N 1.131 120.929 119.950 -0.255 0.000 2.134 508 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 508 F C 2.280 178.054 175.800 -0.044 0.000 1.097 508 F CA 1.538 59.434 58.000 -0.172 0.000 1.264 508 F CB 0.159 39.145 39.000 -0.022 0.000 1.001 508 F HN 0.173 nan 8.300 nan 0.000 0.479 509 E N 0.486 120.754 120.200 0.114 0.000 2.368 509 E HA 0.241 4.591 4.350 -0.000 0.000 0.188 509 E C 0.305 176.890 176.600 -0.025 0.000 1.061 509 E CA -0.250 56.174 56.400 0.040 0.000 0.933 509 E CB -0.033 29.750 29.700 0.140 0.000 1.091 509 E HN 0.356 nan 8.360 nan 0.000 0.458 510 A N 0.000 122.779 122.820 -0.068 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.002 52.037 -0.058 0.000 0.836 510 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486