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 2xok_1_C DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.475 175.510 -0.058 0.000 1.280 26 N CA 0.000 53.029 53.050 -0.034 0.000 0.885 26 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 27 L N 1.206 122.381 121.223 -0.080 0.000 2.627 27 L HA 0.186 4.526 4.340 -0.001 0.000 0.233 27 L C 0.993 177.776 176.870 -0.145 0.000 1.144 27 L CA 0.121 54.877 54.840 -0.140 0.000 0.892 27 L CB -0.237 41.694 42.059 -0.213 0.000 1.039 27 L HN 0.492 nan 8.230 nan 0.000 0.442 28 N N 0.298 118.939 118.700 -0.099 0.000 2.216 28 N HA -0.126 4.613 4.740 -0.001 0.000 0.183 28 N C 1.327 176.787 175.510 -0.084 0.000 1.017 28 N CA 1.024 54.022 53.050 -0.086 0.000 0.861 28 N CB 0.187 38.639 38.487 -0.059 0.000 0.986 28 N HN 0.214 nan 8.380 nan 0.000 0.428 29 E N -0.556 119.597 120.200 -0.078 0.000 2.538 29 E HA 0.161 4.510 4.350 -0.001 0.000 0.207 29 E C -0.194 176.355 176.600 -0.086 0.000 1.002 29 E CA 0.216 56.573 56.400 -0.072 0.000 0.952 29 E CB 0.653 30.321 29.700 -0.053 0.000 1.031 29 E HN 0.327 nan 8.360 nan 0.000 0.476 30 T N -2.150 112.342 114.554 -0.104 0.000 2.853 30 T HA 0.711 5.061 4.350 -0.001 0.000 0.311 30 T C 0.014 174.631 174.700 -0.139 0.000 1.307 30 T CA -0.890 61.142 62.100 -0.112 0.000 1.019 30 T CB 2.227 71.046 68.868 -0.082 0.000 1.264 30 T HN 0.012 nan 8.240 nan 0.000 0.497 31 G N 0.380 109.097 108.800 -0.138 0.000 2.660 31 G HA2 0.683 4.642 3.960 -0.001 0.000 0.294 31 G HA3 0.683 4.642 3.960 -0.001 0.000 0.294 31 G C -1.290 173.576 174.900 -0.056 0.000 1.369 31 G CA -1.081 43.940 45.100 -0.132 0.000 0.912 31 G HN 0.752 nan 8.290 nan 0.000 0.479 32 R N -0.229 120.284 120.500 0.022 0.000 2.536 32 R HA 0.522 4.861 4.340 -0.001 0.000 0.279 32 R C -0.451 175.914 176.300 0.108 0.000 1.001 32 R CA -0.702 55.444 56.100 0.076 0.000 1.027 32 R CB 2.239 32.607 30.300 0.115 0.000 1.096 32 R HN 0.286 nan 8.270 nan 0.000 0.502 33 V N 4.305 124.289 119.914 0.117 0.000 2.555 33 V HA 0.026 4.145 4.120 -0.001 0.000 0.286 33 V C 1.378 177.539 176.094 0.112 0.000 1.044 33 V CA 0.269 62.653 62.300 0.140 0.000 1.026 33 V CB 1.179 33.114 31.823 0.187 0.000 0.981 33 V HN 0.696 nan 8.190 nan 0.000 0.480 34 L N 4.031 125.317 121.223 0.105 0.000 2.189 34 L HA 0.454 4.794 4.340 -0.001 0.000 0.199 34 L C 0.909 177.808 176.870 0.048 0.000 1.074 34 L CA 1.116 55.999 54.840 0.072 0.000 0.783 34 L CB -0.084 42.017 42.059 0.071 0.000 0.955 34 L HN 0.734 nan 8.230 nan 0.000 0.460 35 A N -0.796 122.054 122.820 0.049 0.000 2.572 35 A HA 0.678 4.998 4.320 -0.001 0.000 0.295 35 A C -1.668 175.933 177.584 0.028 0.000 1.072 35 A CA -0.375 51.680 52.037 0.029 0.000 0.691 35 A CB 2.166 21.177 19.000 0.017 0.000 1.291 35 A HN -0.165 nan 8.150 nan 0.000 0.404 36 V N 0.586 120.505 119.914 0.008 0.000 2.686 36 V HA 0.912 5.031 4.120 -0.001 0.000 0.306 36 V C -0.189 175.889 176.094 -0.027 0.000 1.065 36 V CA 0.742 63.033 62.300 -0.015 0.000 0.894 36 V CB 1.883 33.682 31.823 -0.040 0.000 1.004 36 V HN 2.102 nan 8.190 nan 0.000 0.424 37 G N 3.424 112.204 108.800 -0.033 0.000 2.691 37 G HA2 0.533 4.493 3.960 -0.001 0.000 0.298 37 G HA3 0.533 4.493 3.960 -0.001 0.000 0.298 37 G C -1.084 173.795 174.900 -0.036 0.000 1.471 37 G CA -0.052 45.029 45.100 -0.033 0.000 0.912 37 G HN 0.864 nan 8.290 nan 0.000 0.553 38 D N 0.105 120.484 120.400 -0.036 0.000 2.705 38 D HA -0.139 4.500 4.640 -0.001 0.000 0.240 38 D C 1.622 177.900 176.300 -0.037 0.000 1.137 38 D CA 2.654 56.634 54.000 -0.032 0.000 0.677 38 D CB -1.210 39.574 40.800 -0.028 0.000 1.049 38 D HN 2.198 nan 8.370 nan 0.000 0.427 39 G N -1.357 107.414 108.800 -0.049 0.000 2.220 39 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.269 39 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.269 39 G C 0.305 175.165 174.900 -0.067 0.000 0.977 39 G CA 0.528 45.594 45.100 -0.056 0.000 0.634 39 G HN 0.495 nan 8.290 nan 0.000 0.539 40 I N 1.058 121.594 120.570 -0.056 0.000 2.460 40 I HA 0.763 4.933 4.170 -0.001 0.000 0.298 40 I C 0.414 176.514 176.117 -0.028 0.000 0.989 40 I CA -1.068 60.209 61.300 -0.038 0.000 1.173 40 I CB 1.512 39.495 38.000 -0.028 0.000 1.338 40 I HN 0.486 nan 8.210 nan 0.000 0.456 41 A N 6.917 129.748 122.820 0.018 0.000 2.353 41 A HA 0.723 5.043 4.320 -0.001 0.000 0.299 41 A C -0.336 177.305 177.584 0.095 0.000 1.089 41 A CA -0.736 51.343 52.037 0.070 0.000 0.736 41 A CB 1.081 20.170 19.000 0.148 0.000 1.195 41 A HN 0.694 nan 8.150 nan 0.000 0.447 42 R N 0.565 121.109 120.500 0.074 0.000 2.410 42 R HA 0.632 4.972 4.340 -0.001 0.000 0.288 42 R C -1.047 175.313 176.300 0.100 0.000 1.051 42 R CA -0.305 55.839 56.100 0.072 0.000 1.021 42 R CB 1.547 31.879 30.300 0.053 0.000 1.032 42 R HN 0.427 nan 8.270 nan 0.000 0.481 43 V N 3.617 123.589 119.914 0.096 0.000 2.655 43 V HA 0.204 4.323 4.120 -0.001 0.000 0.301 43 V C -1.143 175.024 176.094 0.122 0.000 1.082 43 V CA -0.849 61.508 62.300 0.096 0.000 0.899 43 V CB 1.524 33.366 31.823 0.031 0.000 1.014 43 V HN 0.584 nan 8.190 nan 0.000 0.429 44 F N 4.803 124.753 119.950 -0.000 0.000 2.424 44 F HA 0.804 5.330 4.527 -0.001 0.000 0.356 44 F C 0.774 176.565 175.800 -0.016 0.000 1.110 44 F CA 1.216 59.213 58.000 -0.006 0.000 1.161 44 F CB 0.723 39.722 39.000 -0.002 0.000 1.115 44 F HN 0.941 nan 8.300 nan 0.000 0.507 45 G N 4.312 112.707 108.800 -0.675 0.000 2.348 45 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.199 45 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.199 45 G C -0.176 174.536 174.900 -0.314 0.000 1.235 45 G CA -0.520 44.195 45.100 -0.641 0.000 1.264 45 G HN 1.059 nan 8.290 nan 0.000 0.543 46 L N 0.326 121.411 121.223 -0.230 0.000 3.943 46 L HA -0.201 4.138 4.340 -0.001 0.000 0.529 46 L C 1.252 178.042 176.870 -0.134 0.000 1.173 46 L CA 0.447 55.193 54.840 -0.157 0.000 0.737 46 L CB -1.036 40.942 42.059 -0.135 0.000 1.321 46 L HN 0.555 nan 8.230 nan 0.000 0.794 47 N N 0.109 118.726 118.700 -0.138 0.000 2.354 47 N HA -0.046 4.693 4.740 -0.001 0.000 0.179 47 N C 1.290 176.758 175.510 -0.071 0.000 1.021 47 N CA 0.975 53.961 53.050 -0.107 0.000 0.887 47 N CB -0.014 38.409 38.487 -0.108 0.000 0.974 47 N HN 0.505 nan 8.380 nan 0.000 0.437 48 N N 0.427 119.088 118.700 -0.066 0.000 2.280 48 N HA 0.122 4.862 4.740 -0.001 0.000 0.192 48 N C 0.168 175.653 175.510 -0.040 0.000 1.109 48 N CA -0.137 52.885 53.050 -0.047 0.000 0.855 48 N CB 0.720 39.183 38.487 -0.041 0.000 0.974 48 N HN 0.287 nan 8.380 nan 0.000 0.482 49 I N 1.444 121.985 120.570 -0.048 0.000 2.752 49 I HA -0.098 4.071 4.170 -0.001 0.000 0.287 49 I C 0.177 176.278 176.117 -0.027 0.000 1.188 49 I CA -0.088 61.187 61.300 -0.042 0.000 1.427 49 I CB 0.610 38.577 38.000 -0.055 0.000 1.365 49 I HN 0.046 nan 8.210 nan 0.000 0.585 50 Q N 5.478 125.267 119.800 -0.018 0.000 2.299 50 Q HA 0.422 4.761 4.340 -0.001 0.000 0.246 50 Q C -0.031 175.968 176.000 -0.003 0.000 0.935 50 Q CA -0.718 55.080 55.803 -0.007 0.000 0.887 50 Q CB 1.131 29.868 28.738 -0.001 0.000 1.223 50 Q HN 0.777 nan 8.270 nan 0.000 0.439 51 A N 2.644 125.466 122.820 0.003 0.000 2.548 51 A HA -0.001 4.318 4.320 -0.001 0.000 0.247 51 A C 0.170 177.764 177.584 0.017 0.000 1.067 51 A CA 0.310 52.353 52.037 0.010 0.000 0.757 51 A CB -0.199 18.810 19.000 0.015 0.000 0.996 51 A HN 0.962 nan 8.150 nan 0.000 0.504 52 E N -0.290 119.923 120.200 0.022 0.000 3.303 52 E HA -0.177 4.172 4.350 -0.001 0.000 0.302 52 E C 0.099 176.725 176.600 0.044 0.000 0.902 52 E CA 1.134 57.557 56.400 0.038 0.000 1.042 52 E CB -1.320 28.403 29.700 0.039 0.000 1.528 52 E HN 0.938 nan 8.360 nan 0.000 0.424 53 E N 0.599 120.815 120.200 0.027 0.000 2.319 53 E HA 0.325 4.675 4.350 -0.001 0.000 0.268 53 E C -0.497 176.125 176.600 0.036 0.000 1.050 53 E CA -0.638 55.778 56.400 0.027 0.000 0.878 53 E CB 0.721 30.423 29.700 0.004 0.000 1.066 53 E HN -0.033 nan 8.360 nan 0.000 0.406 54 L N 4.051 125.310 121.223 0.060 0.000 2.326 54 L HA 0.271 4.611 4.340 -0.001 0.000 0.278 54 L C -0.755 176.133 176.870 0.030 0.000 1.092 54 L CA -0.235 54.658 54.840 0.089 0.000 0.810 54 L CB 1.378 43.520 42.059 0.139 0.000 1.153 54 L HN 0.371 nan 8.230 nan 0.000 0.439 55 V N 0.598 120.517 119.914 0.008 0.000 2.709 55 V HA 0.643 4.762 4.120 -0.001 0.000 0.308 55 V C -0.522 175.552 176.094 -0.034 0.000 1.062 55 V CA -0.896 61.360 62.300 -0.073 0.000 0.901 55 V CB 1.773 33.469 31.823 -0.212 0.000 1.003 55 V HN 0.751 nan 8.190 nan 0.000 0.425 56 E N 3.147 123.318 120.200 -0.049 0.000 2.216 56 E HA 0.570 4.919 4.350 -0.001 0.000 0.279 56 E C -1.358 175.206 176.600 -0.060 0.000 0.997 56 E CA -0.403 56.019 56.400 0.036 0.000 0.817 56 E CB 1.873 31.600 29.700 0.045 0.000 1.096 56 E HN 0.654 nan 8.360 nan 0.000 0.393 57 F N 0.887 120.847 119.950 0.017 0.000 2.378 57 F HA 0.028 4.555 4.527 -0.001 0.000 0.325 57 F C 1.964 177.772 175.800 0.014 0.000 1.097 57 F CA -0.091 57.916 58.000 0.010 0.000 1.079 57 F CB 1.355 40.360 39.000 0.008 0.000 1.240 57 F HN 0.529 nan 8.300 nan 0.000 0.519 58 S N -0.101 115.709 115.700 0.183 0.000 2.402 58 S HA -0.227 4.242 4.470 -0.001 0.000 0.233 58 S C 2.068 176.735 174.600 0.111 0.000 1.030 58 S CA 1.544 59.809 58.200 0.107 0.000 1.003 58 S CB -0.944 62.305 63.200 0.082 0.000 0.813 58 S HN 0.712 nan 8.310 nan 0.000 0.477 59 S N 0.313 116.098 115.700 0.142 0.000 2.507 59 S HA 0.343 4.812 4.470 -0.001 0.000 0.235 59 S C 1.654 176.305 174.600 0.085 0.000 0.988 59 S CA 1.173 59.428 58.200 0.091 0.000 0.944 59 S CB -0.709 62.529 63.200 0.064 0.000 0.762 59 S HN 1.543 nan 8.310 nan 0.000 0.526 60 G N 0.031 108.902 108.800 0.117 0.000 2.561 60 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.203 60 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.203 60 G C 0.183 175.163 174.900 0.133 0.000 1.101 60 G CA -0.184 44.978 45.100 0.102 0.000 0.711 60 G HN 1.148 nan 8.290 nan 0.000 0.511 61 V N 3.119 123.109 119.914 0.126 0.000 2.617 61 V HA 0.440 4.559 4.120 -0.001 0.000 0.304 61 V C 0.752 176.996 176.094 0.251 0.000 1.040 61 V CA 0.590 62.967 62.300 0.128 0.000 1.149 61 V CB 0.830 32.657 31.823 0.007 0.000 0.914 61 V HN 0.418 nan 8.190 nan 0.000 0.487 62 K N 4.284 124.847 120.400 0.271 0.000 2.090 62 K HA 0.748 5.067 4.320 -0.001 0.000 0.250 62 K C 0.128 176.854 176.600 0.211 0.000 1.004 62 K CA 0.138 56.627 56.287 0.335 0.000 0.919 62 K CB 1.618 34.374 32.500 0.426 0.000 1.045 62 K HN 0.966 nan 8.250 nan 0.000 0.471 63 G N 0.421 109.250 108.800 0.049 0.000 2.649 63 G HA2 0.549 4.508 3.960 -0.001 0.000 0.290 63 G HA3 0.549 4.508 3.960 -0.001 0.000 0.290 63 G C -1.873 172.830 174.900 -0.328 0.000 1.426 63 G CA -0.707 44.213 45.100 -0.300 0.000 0.794 63 G HN 0.480 nan 8.290 nan 0.000 0.483 64 M N 0.747 120.135 119.600 -0.354 0.000 2.393 64 M HA 0.679 5.159 4.480 -0.001 0.000 0.299 64 M C -0.429 175.827 176.300 -0.074 0.000 1.103 64 M CA -0.833 54.375 55.300 -0.153 0.000 0.910 64 M CB 2.073 34.602 32.600 -0.119 0.000 1.659 64 M HN 0.806 nan 8.290 nan 0.000 0.445 65 A N 5.192 127.994 122.820 -0.030 0.000 2.309 65 A HA 0.524 4.844 4.320 -0.001 0.000 0.290 65 A C -0.072 177.508 177.584 -0.007 0.000 1.206 65 A CA -0.414 51.610 52.037 -0.021 0.000 0.850 65 A CB 0.070 19.056 19.000 -0.023 0.000 1.118 65 A HN 1.066 nan 8.150 nan 0.000 0.523 66 L N 1.466 122.683 121.223 -0.009 0.000 2.766 66 L HA 0.212 4.551 4.340 -0.001 0.000 0.241 66 L C -0.114 176.759 176.870 0.004 0.000 1.080 66 L CA 0.152 54.992 54.840 -0.000 0.000 0.909 66 L CB 0.304 42.354 42.059 -0.014 0.000 1.277 66 L HN 0.582 nan 8.230 nan 0.000 0.510 67 N N 1.388 120.088 118.700 0.000 0.000 2.696 67 N HA 0.335 5.075 4.740 -0.001 0.000 0.246 67 N C -0.797 174.716 175.510 0.005 0.000 1.057 67 N CA -0.106 52.946 53.050 0.004 0.000 0.867 67 N CB 1.080 39.569 38.487 0.002 0.000 1.141 67 N HN 0.043 nan 8.380 nan 0.000 0.517 68 L N 1.592 122.818 121.223 0.005 0.000 2.401 68 L HA 0.317 4.656 4.340 -0.001 0.000 0.283 68 L C 0.742 177.617 176.870 0.008 0.000 1.151 68 L CA -0.167 54.674 54.840 0.002 0.000 0.942 68 L CB -0.144 41.914 42.059 -0.003 0.000 1.283 68 L HN 0.218 nan 8.230 nan 0.000 0.442 69 E N 3.173 123.381 120.200 0.014 0.000 2.561 69 E HA 0.258 4.607 4.350 -0.001 0.000 0.254 69 E C -1.491 175.125 176.600 0.025 0.000 1.213 69 E CA -1.613 54.798 56.400 0.019 0.000 0.995 69 E CB 0.564 30.278 29.700 0.023 0.000 1.233 69 E HN 0.258 nan 8.360 nan 0.000 0.556 70 P HA -0.068 nan 4.420 nan 0.000 0.214 70 P C 1.168 178.505 177.300 0.062 0.000 1.162 70 P CA 1.098 64.219 63.100 0.036 0.000 0.874 70 P CB -0.032 31.687 31.700 0.032 0.000 0.784 71 G N -1.183 107.663 108.800 0.077 0.000 2.464 71 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.217 71 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.217 71 G C 0.467 175.487 174.900 0.201 0.000 1.138 71 G CA 0.404 45.585 45.100 0.135 0.000 0.793 71 G HN 0.498 nan 8.290 nan 0.000 0.539 72 Q N -1.830 118.042 119.800 0.120 0.000 2.630 72 Q HA 0.631 4.970 4.340 -0.001 0.000 0.295 72 Q C -1.888 174.142 176.000 0.050 0.000 0.944 72 Q CA -1.025 54.847 55.803 0.114 0.000 0.766 72 Q CB 1.998 30.809 28.738 0.121 0.000 1.471 72 Q HN -0.083 nan 8.270 nan 0.000 0.416 73 V N 0.192 120.127 119.914 0.034 0.000 2.628 73 V HA 0.838 4.957 4.120 -0.001 0.000 0.306 73 V C 0.003 176.110 176.094 0.022 0.000 1.045 73 V CA -0.285 62.022 62.300 0.011 0.000 0.905 73 V CB 1.800 33.612 31.823 -0.019 0.000 0.997 73 V HN 0.856 nan 8.190 nan 0.000 0.436 74 G N 4.005 112.813 108.800 0.013 0.000 2.437 74 G HA2 0.721 4.680 3.960 -0.001 0.000 0.315 74 G HA3 0.721 4.680 3.960 -0.001 0.000 0.315 74 G C -0.920 173.985 174.900 0.008 0.000 1.210 74 G CA -0.361 44.748 45.100 0.015 0.000 0.943 74 G HN 0.580 nan 8.290 nan 0.000 0.471 75 I N 2.769 123.356 120.570 0.028 0.000 2.406 75 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 75 I C 0.275 176.388 176.117 -0.006 0.000 0.999 75 I CA -1.215 60.101 61.300 0.027 0.000 1.124 75 I CB 2.221 40.289 38.000 0.114 0.000 1.289 75 I HN 0.351 nan 8.210 nan 0.000 0.441 76 V N 5.457 125.330 119.914 -0.068 0.000 2.546 76 V HA 0.507 4.626 4.120 -0.001 0.000 0.284 76 V C -0.122 175.850 176.094 -0.204 0.000 1.050 76 V CA -0.596 61.637 62.300 -0.112 0.000 0.981 76 V CB 1.001 32.757 31.823 -0.112 0.000 0.990 76 V HN 0.503 nan 8.190 nan 0.000 0.474 77 L N 3.562 124.684 121.223 -0.169 0.000 2.343 77 L HA 0.491 4.831 4.340 -0.001 0.000 0.275 77 L C 0.518 177.308 176.870 -0.133 0.000 1.056 77 L CA -0.520 54.202 54.840 -0.198 0.000 0.804 77 L CB 1.133 43.093 42.059 -0.164 0.000 1.203 77 L HN 0.538 nan 8.230 nan 0.000 0.440 78 F N 0.407 120.392 119.950 0.058 0.000 2.789 78 F HA 0.216 4.742 4.527 -0.001 0.000 0.300 78 F C 1.329 177.149 175.800 0.034 0.000 1.132 78 F CA -0.316 57.719 58.000 0.059 0.000 1.404 78 F CB -0.217 38.827 39.000 0.074 0.000 1.114 78 F HN 0.511 nan 8.300 nan 0.000 0.584 79 G N -1.287 107.600 108.800 0.144 0.000 3.217 79 G HA2 0.400 4.359 3.960 -0.001 0.000 0.213 79 G HA3 0.400 4.359 3.960 -0.001 0.000 0.213 79 G C -0.608 174.304 174.900 0.020 0.000 1.294 79 G CA -0.385 44.762 45.100 0.079 0.000 0.987 79 G HN 0.011 nan 8.290 nan 0.000 0.584 80 S N -1.203 114.497 115.700 0.001 0.000 2.634 80 S HA 0.340 4.809 4.470 -0.001 0.000 0.261 80 S C 0.605 175.165 174.600 -0.067 0.000 1.271 80 S CA 0.555 58.741 58.200 -0.022 0.000 0.985 80 S CB 1.119 64.311 63.200 -0.012 0.000 0.968 80 S HN 0.638 nan 8.310 nan 0.000 0.568 81 D N -0.282 120.074 120.400 -0.074 0.000 2.498 81 D HA 0.032 4.671 4.640 -0.001 0.000 0.223 81 D C 1.598 177.844 176.300 -0.089 0.000 1.125 81 D CA -0.133 53.797 54.000 -0.117 0.000 0.835 81 D CB -0.383 40.344 40.800 -0.121 0.000 1.086 81 D HN 0.630 nan 8.370 nan 0.000 0.510 82 R N 1.219 121.686 120.500 -0.055 0.000 2.174 82 R HA -0.149 4.191 4.340 -0.001 0.000 0.253 82 R C 1.533 177.808 176.300 -0.041 0.000 1.165 82 R CA 1.337 57.414 56.100 -0.038 0.000 0.984 82 R CB -1.140 29.146 30.300 -0.023 0.000 0.873 82 R HN 0.240 nan 8.270 nan 0.000 0.456 83 L N 1.481 122.672 121.223 -0.052 0.000 2.492 83 L HA 0.109 4.449 4.340 -0.001 0.000 0.223 83 L C 0.281 177.114 176.870 -0.061 0.000 1.132 83 L CA -0.024 54.790 54.840 -0.044 0.000 0.850 83 L CB 0.348 42.387 42.059 -0.033 0.000 0.966 83 L HN -0.060 nan 8.230 nan 0.000 0.454 84 V N 0.305 120.153 119.914 -0.111 0.000 2.394 84 V HA 0.303 4.423 4.120 -0.001 0.000 0.282 84 V C -0.005 176.057 176.094 -0.053 0.000 1.031 84 V CA -0.734 61.491 62.300 -0.125 0.000 0.881 84 V CB 1.433 33.056 31.823 -0.334 0.000 0.982 84 V HN 0.123 nan 8.190 nan 0.000 0.451 85 K N 2.200 122.601 120.400 0.002 0.000 2.340 85 K HA 0.451 4.770 4.320 -0.001 0.000 0.244 85 K C -0.252 176.373 176.600 0.042 0.000 0.973 85 K CA -0.879 55.417 56.287 0.015 0.000 0.828 85 K CB 2.381 34.892 32.500 0.018 0.000 1.226 85 K HN 0.767 nan 8.250 nan 0.000 0.437 86 E N 0.306 120.527 120.200 0.035 0.000 2.452 86 E HA -0.071 4.279 4.350 -0.001 0.000 0.261 86 E C 0.562 177.196 176.600 0.055 0.000 0.987 86 E CA 1.415 57.843 56.400 0.047 0.000 0.926 86 E CB 0.230 29.948 29.700 0.031 0.000 0.934 86 E HN 0.772 nan 8.360 nan 0.000 0.452 87 G N 3.783 112.626 108.800 0.071 0.000 2.284 87 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.247 87 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.247 87 G C 0.233 175.176 174.900 0.072 0.000 1.012 87 G CA 0.429 45.569 45.100 0.067 0.000 0.618 87 G HN 0.739 nan 8.290 nan 0.000 0.521 88 E N 1.275 121.525 120.200 0.084 0.000 2.608 88 E HA 0.205 4.554 4.350 -0.001 0.000 0.259 88 E C 0.824 177.483 176.600 0.098 0.000 0.951 88 E CA -0.182 56.277 56.400 0.098 0.000 0.945 88 E CB 0.257 30.035 29.700 0.130 0.000 0.916 88 E HN 0.814 nan 8.360 nan 0.000 0.477 89 L N 4.885 126.146 121.223 0.062 0.000 2.453 89 L HA 0.224 4.563 4.340 -0.001 0.000 0.272 89 L C -1.029 175.825 176.870 -0.027 0.000 1.182 89 L CA -0.571 54.279 54.840 0.017 0.000 0.858 89 L CB 0.704 42.767 42.059 0.006 0.000 1.120 89 L HN 0.404 nan 8.230 nan 0.000 0.474 90 V N 4.596 124.434 119.914 -0.128 0.000 2.715 90 V HA 0.526 4.645 4.120 -0.001 0.000 0.310 90 V C -0.280 175.667 176.094 -0.246 0.000 1.054 90 V CA -0.873 61.226 62.300 -0.336 0.000 0.928 90 V CB 1.685 33.178 31.823 -0.551 0.000 1.007 90 V HN 0.759 nan 8.190 nan 0.000 0.437 91 K N 2.074 122.319 120.400 -0.258 0.000 2.378 91 K HA 0.527 4.847 4.320 -0.001 0.000 0.252 91 K C -0.546 175.973 176.600 -0.136 0.000 0.931 91 K CA -0.853 55.345 56.287 -0.150 0.000 0.794 91 K CB 1.855 34.301 32.500 -0.090 0.000 1.181 91 K HN 0.630 nan 8.250 nan 0.000 0.425 92 R N 1.671 122.111 120.500 -0.100 0.000 2.489 92 R HA 0.040 4.380 4.340 -0.001 0.000 0.287 92 R C 0.548 176.821 176.300 -0.045 0.000 1.053 92 R CA 0.214 56.270 56.100 -0.073 0.000 1.036 92 R CB 0.812 31.075 30.300 -0.061 0.000 0.966 92 R HN 0.710 nan 8.270 nan 0.000 0.432 93 T N 0.845 115.383 114.554 -0.028 0.000 2.852 93 T HA 0.039 4.388 4.350 -0.001 0.000 0.256 93 T C 1.234 175.931 174.700 -0.005 0.000 1.038 93 T CA 1.166 63.263 62.100 -0.005 0.000 1.141 93 T CB 0.003 68.882 68.868 0.018 0.000 0.869 93 T HN 0.933 nan 8.240 nan 0.000 0.439 94 G N 1.666 110.462 108.800 -0.007 0.000 2.157 94 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.239 94 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.239 94 G C -0.158 174.745 174.900 0.005 0.000 0.982 94 G CA -0.076 45.021 45.100 -0.005 0.000 0.650 94 G HN 0.566 nan 8.290 nan 0.000 0.527 95 N N -0.280 118.428 118.700 0.014 0.000 2.240 95 N HA 0.672 5.411 4.740 -0.001 0.000 0.302 95 N C -0.155 175.375 175.510 0.034 0.000 1.106 95 N CA -1.061 52.002 53.050 0.022 0.000 0.778 95 N CB 1.466 39.968 38.487 0.025 0.000 1.431 95 N HN 0.002 nan 8.380 nan 0.000 0.479 96 I N 1.671 122.260 120.570 0.032 0.000 2.519 96 I HA 0.143 4.312 4.170 -0.001 0.000 0.287 96 I C 0.496 176.646 176.117 0.054 0.000 1.047 96 I CA -0.603 60.722 61.300 0.042 0.000 1.381 96 I CB 0.694 38.711 38.000 0.028 0.000 1.417 96 I HN 0.297 nan 8.210 nan 0.000 0.540 97 V N 5.712 125.675 119.914 0.083 0.000 2.752 97 V HA 0.020 4.139 4.120 -0.001 0.000 0.306 97 V C 0.246 176.369 176.094 0.047 0.000 1.099 97 V CA 0.254 62.609 62.300 0.091 0.000 1.240 97 V CB -0.347 31.559 31.823 0.139 0.000 0.887 97 V HN 0.964 nan 8.190 nan 0.000 0.499 98 D N 2.879 123.298 120.400 0.031 0.000 2.622 98 D HA 0.598 5.237 4.640 -0.001 0.000 0.255 98 D C -1.032 175.271 176.300 0.005 0.000 1.246 98 D CA -0.516 53.495 54.000 0.019 0.000 0.795 98 D CB 2.199 43.010 40.800 0.019 0.000 1.369 98 D HN 0.506 nan 8.370 nan 0.000 0.425 99 V N -3.388 116.528 119.914 0.004 0.000 2.914 99 V HA 0.705 4.825 4.120 -0.001 0.000 0.314 99 V C -2.717 173.366 176.094 -0.018 0.000 1.084 99 V CA -2.178 60.117 62.300 -0.009 0.000 0.963 99 V CB 1.651 33.472 31.823 -0.004 0.000 1.025 99 V HN 0.533 nan 8.190 nan 0.000 0.432 100 P HA 0.287 nan 4.420 nan 0.000 0.268 100 P C -0.503 176.744 177.300 -0.089 0.000 1.205 100 P CA 0.257 63.320 63.100 -0.062 0.000 0.771 100 P CB 1.317 32.976 31.700 -0.069 0.000 0.858 101 V N -1.258 118.568 119.914 -0.146 0.000 3.160 101 V HA 1.006 5.125 4.120 -0.001 0.000 0.310 101 V C -0.103 175.634 176.094 -0.596 0.000 1.181 101 V CA -0.278 61.863 62.300 -0.264 0.000 1.047 101 V CB 1.394 33.151 31.823 -0.111 0.000 1.068 101 V HN 1.014 nan 8.190 nan 0.000 0.441 102 G N 1.423 109.545 108.800 -1.130 0.000 2.381 102 G HA2 0.184 4.144 3.960 -0.001 0.000 0.672 102 G HA3 0.184 4.144 3.960 -0.001 0.000 0.672 102 G C -2.812 171.338 174.900 -1.251 0.000 1.324 102 G CA -0.029 43.957 45.100 -1.856 0.000 0.975 102 G HN 0.809 nan 8.290 nan 0.000 0.593 103 P HA 0.125 nan 4.420 nan 0.000 0.249 103 P C 1.704 178.858 177.300 -0.244 0.000 1.229 103 P CA 1.292 64.067 63.100 -0.542 0.000 0.788 103 P CB 0.099 31.584 31.700 -0.358 0.000 1.072 104 G N 0.649 109.271 108.800 -0.298 0.000 2.448 104 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.219 104 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.219 104 G C 1.367 176.202 174.900 -0.109 0.000 1.127 104 G CA 0.322 45.322 45.100 -0.167 0.000 0.766 104 G HN 0.231 nan 8.290 nan 0.000 0.552 105 L N 0.229 121.378 121.223 -0.123 0.000 2.201 105 L HA 0.168 4.508 4.340 -0.001 0.000 0.212 105 L C 1.179 178.059 176.870 0.017 0.000 1.105 105 L CA 0.003 54.815 54.840 -0.046 0.000 0.775 105 L CB -0.289 41.748 42.059 -0.036 0.000 0.913 105 L HN 0.105 nan 8.230 nan 0.000 0.440 106 L N 0.548 121.804 121.223 0.055 0.000 2.628 106 L HA 0.007 4.346 4.340 -0.001 0.000 0.274 106 L C 1.399 178.300 176.870 0.051 0.000 1.209 106 L CA 0.850 55.750 54.840 0.100 0.000 0.930 106 L CB -0.349 41.808 42.059 0.162 0.000 1.183 106 L HN 0.417 nan 8.230 nan 0.000 0.492 107 G N 2.056 110.876 108.800 0.034 0.000 2.175 107 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.244 107 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.244 107 G C 0.206 175.101 174.900 -0.008 0.000 0.982 107 G CA -0.522 44.577 45.100 -0.000 0.000 0.641 107 G HN 0.473 nan 8.290 nan 0.000 0.527 108 R N -0.021 120.480 120.500 0.001 0.000 2.604 108 R HA 0.658 4.997 4.340 -0.001 0.000 0.287 108 R C -0.280 176.020 176.300 -0.001 0.000 0.970 108 R CA -0.731 55.366 56.100 -0.005 0.000 0.946 108 R CB 1.792 32.087 30.300 -0.010 0.000 1.127 108 R HN 0.248 nan 8.270 nan 0.000 0.473 109 V N 3.015 122.927 119.914 -0.003 0.000 2.311 109 V HA 0.288 4.408 4.120 -0.001 0.000 0.275 109 V C 0.396 176.491 176.094 0.002 0.000 1.022 109 V CA -0.793 61.509 62.300 0.004 0.000 0.830 109 V CB 1.011 32.835 31.823 0.001 0.000 1.012 109 V HN 0.571 nan 8.190 nan 0.000 0.452 110 V N 1.345 121.262 119.914 0.004 0.000 2.881 110 V HA 0.803 4.922 4.120 -0.001 0.000 0.316 110 V C -0.110 175.982 176.094 -0.003 0.000 1.070 110 V CA -0.847 61.451 62.300 -0.005 0.000 0.976 110 V CB 2.013 33.829 31.823 -0.011 0.000 1.038 110 V HN 0.749 nan 8.190 nan 0.000 0.446 111 D N 2.442 122.834 120.400 -0.013 0.000 2.440 111 D HA 0.452 5.091 4.640 -0.001 0.000 0.269 111 D C 1.283 177.565 176.300 -0.031 0.000 1.249 111 D CA 0.080 54.070 54.000 -0.017 0.000 1.055 111 D CB 0.793 41.578 40.800 -0.024 0.000 1.104 111 D HN 0.770 nan 8.370 nan 0.000 0.561 112 A N -0.748 122.046 122.820 -0.044 0.000 1.978 112 A HA -0.080 4.240 4.320 -0.001 0.000 0.220 112 A C 2.238 179.773 177.584 -0.082 0.000 1.170 112 A CA 1.205 53.211 52.037 -0.052 0.000 0.636 112 A CB -0.890 18.078 19.000 -0.052 0.000 0.810 112 A HN 0.535 nan 8.150 nan 0.000 0.448 113 L N -1.419 119.729 121.223 -0.124 0.000 2.592 113 L HA 0.284 4.623 4.340 -0.001 0.000 0.227 113 L C 1.342 178.170 176.870 -0.070 0.000 1.127 113 L CA 0.404 55.169 54.840 -0.125 0.000 0.884 113 L CB -0.270 41.671 42.059 -0.197 0.000 1.065 113 L HN 0.532 nan 8.230 nan 0.000 0.457 114 G N 0.663 109.432 108.800 -0.052 0.000 2.203 114 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.231 114 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.231 114 G C -0.346 174.533 174.900 -0.035 0.000 1.058 114 G CA -0.501 44.577 45.100 -0.037 0.000 0.781 114 G HN 0.341 nan 8.290 nan 0.000 0.496 115 N N 1.510 120.189 118.700 -0.034 0.000 2.438 115 N HA 0.460 5.200 4.740 -0.001 0.000 0.282 115 N C -2.391 173.108 175.510 -0.019 0.000 1.037 115 N CA -1.493 51.541 53.050 -0.026 0.000 0.942 115 N CB 1.750 40.222 38.487 -0.025 0.000 1.136 115 N HN 0.138 nan 8.380 nan 0.000 0.481 116 P HA 0.001 nan 4.420 nan 0.000 0.264 116 P C 0.605 177.900 177.300 -0.009 0.000 1.183 116 P CA 0.269 63.361 63.100 -0.014 0.000 0.763 116 P CB 0.545 32.236 31.700 -0.014 0.000 0.807 117 I N -0.381 120.185 120.570 -0.006 0.000 4.442 117 I HA 0.122 4.291 4.170 -0.001 0.000 0.331 117 I C 0.754 176.869 176.117 -0.003 0.000 1.364 117 I CA -0.210 61.089 61.300 -0.002 0.000 1.207 117 I CB 0.214 38.215 38.000 0.001 0.000 1.298 117 I HN 0.022 nan 8.210 nan 0.000 0.463 118 D N 2.331 122.728 120.400 -0.006 0.000 2.123 118 D HA 0.087 4.726 4.640 -0.001 0.000 0.200 118 D C 1.785 178.080 176.300 -0.008 0.000 0.976 118 D CA 1.732 55.728 54.000 -0.008 0.000 0.831 118 D CB -0.438 40.356 40.800 -0.011 0.000 0.974 118 D HN 0.478 nan 8.370 nan 0.000 0.469 119 G N -0.440 108.355 108.800 -0.008 0.000 2.198 119 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.156 119 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.156 119 G C 0.681 175.575 174.900 -0.009 0.000 1.012 119 G CA 0.081 45.176 45.100 -0.008 0.000 0.692 119 G HN 0.352 nan 8.290 nan 0.000 0.492 120 K N 0.803 121.196 120.400 -0.011 0.000 2.387 120 K HA 0.462 4.781 4.320 -0.001 0.000 0.198 120 K C 1.346 177.939 176.600 -0.012 0.000 1.022 120 K CA 0.360 56.640 56.287 -0.012 0.000 1.128 120 K CB 0.814 33.306 32.500 -0.013 0.000 0.853 120 K HN 1.361 nan 8.250 nan 0.000 0.523 121 G N 2.623 111.416 108.800 -0.012 0.000 2.760 121 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.246 121 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.246 121 G C -2.753 172.138 174.900 -0.016 0.000 1.359 121 G CA -1.278 43.814 45.100 -0.012 0.000 0.861 121 G HN -0.027 nan 8.290 nan 0.000 0.541 122 P HA 0.260 nan 4.420 nan 0.000 0.261 122 P C 0.586 177.869 177.300 -0.029 0.000 1.173 122 P CA -0.251 62.836 63.100 -0.021 0.000 0.760 122 P CB 0.240 31.928 31.700 -0.020 0.000 0.783 123 I N 3.269 123.819 120.570 -0.034 0.000 2.618 123 I HA 0.024 4.193 4.170 -0.001 0.000 0.284 123 I C 0.668 176.751 176.117 -0.056 0.000 1.146 123 I CA 0.275 61.546 61.300 -0.048 0.000 1.425 123 I CB -0.422 37.546 38.000 -0.052 0.000 1.383 123 I HN 0.267 nan 8.210 nan 0.000 0.562 124 D N 5.357 125.715 120.400 -0.070 0.000 2.274 124 D HA 0.586 5.225 4.640 -0.001 0.000 0.239 124 D C -0.082 176.145 176.300 -0.121 0.000 1.104 124 D CA -0.068 53.884 54.000 -0.080 0.000 0.840 124 D CB 1.642 42.399 40.800 -0.072 0.000 1.100 124 D HN 0.655 nan 8.370 nan 0.000 0.477 125 A N 1.340 124.088 122.820 -0.119 0.000 2.355 125 A HA 0.660 4.980 4.320 -0.001 0.000 0.324 125 A C 0.771 178.262 177.584 -0.156 0.000 1.117 125 A CA -0.578 51.358 52.037 -0.169 0.000 0.785 125 A CB 1.554 20.471 19.000 -0.138 0.000 1.254 125 A HN 0.495 nan 8.150 nan 0.000 0.453 126 A N 0.922 123.607 122.820 -0.227 0.000 2.206 126 A HA 0.512 4.832 4.320 -0.001 0.000 0.211 126 A C 1.133 178.697 177.584 -0.034 0.000 1.158 126 A CA 1.484 53.450 52.037 -0.119 0.000 0.761 126 A CB -0.502 18.425 19.000 -0.123 0.000 0.801 126 A HN 2.406 nan 8.150 nan 0.000 0.473 127 G N -1.279 107.483 108.800 -0.063 0.000 2.333 127 G HA2 0.454 4.413 3.960 -0.001 0.000 0.288 127 G HA3 0.454 4.413 3.960 -0.001 0.000 0.288 127 G C -1.504 173.384 174.900 -0.021 0.000 1.286 127 G CA -1.078 44.016 45.100 -0.011 0.000 0.865 127 G HN 0.249 nan 8.290 nan 0.000 0.506 128 R N -0.020 120.483 120.500 0.006 0.000 2.532 128 R HA 0.677 5.016 4.340 -0.001 0.000 0.297 128 R C -0.727 175.587 176.300 0.024 0.000 0.984 128 R CA -0.646 55.457 56.100 0.005 0.000 0.884 128 R CB 2.146 32.446 30.300 -0.001 0.000 1.182 128 R HN 0.480 nan 8.270 nan 0.000 0.442 129 S N 1.588 117.306 115.700 0.030 0.000 2.687 129 S HA 0.472 4.941 4.470 -0.001 0.000 0.283 129 S C 0.173 174.790 174.600 0.028 0.000 1.170 129 S CA -0.864 57.358 58.200 0.038 0.000 1.008 129 S CB 1.401 64.634 63.200 0.055 0.000 1.026 129 S HN 0.363 nan 8.310 nan 0.000 0.541 130 R N 0.065 120.581 120.500 0.026 0.000 2.577 130 R HA 0.437 4.777 4.340 -0.001 0.000 0.269 130 R C 1.204 177.520 176.300 0.027 0.000 1.084 130 R CA -0.149 55.963 56.100 0.021 0.000 1.163 130 R CB 0.279 30.586 30.300 0.012 0.000 1.100 130 R HN 0.742 nan 8.270 nan 0.000 0.547 131 A N 1.261 124.092 122.820 0.019 0.000 1.930 131 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 131 A C 0.331 177.915 177.584 -0.001 0.000 1.176 131 A CA 1.023 53.080 52.037 0.033 0.000 0.632 131 A CB 0.172 19.187 19.000 0.025 0.000 0.819 131 A HN 0.503 nan 8.150 nan 0.000 0.445 132 Q N 0.386 120.139 119.800 -0.078 0.000 2.314 132 Q HA 0.544 4.884 4.340 -0.001 0.000 0.259 132 Q C -1.349 174.629 176.000 -0.037 0.000 0.951 132 Q CA -0.212 55.519 55.803 -0.120 0.000 0.909 132 Q CB 1.772 30.380 28.738 -0.216 0.000 1.236 132 Q HN 0.153 nan 8.270 nan 0.000 0.444 133 V N 1.541 121.451 119.914 -0.006 0.000 2.686 133 V HA 0.334 4.453 4.120 -0.001 0.000 0.306 133 V C -0.110 175.995 176.094 0.017 0.000 1.065 133 V CA -1.234 61.073 62.300 0.012 0.000 0.894 133 V CB 2.088 33.928 31.823 0.028 0.000 1.004 133 V HN 0.623 nan 8.190 nan 0.000 0.424 134 K N 2.482 122.893 120.400 0.019 0.000 2.524 134 K HA 0.389 4.708 4.320 -0.001 0.000 0.279 134 K C 0.562 177.178 176.600 0.027 0.000 0.993 134 K CA 0.431 56.734 56.287 0.027 0.000 1.030 134 K CB 0.519 33.034 32.500 0.026 0.000 0.891 134 K HN 0.968 nan 8.250 nan 0.000 0.488 135 A N 5.158 127.997 122.820 0.031 0.000 2.386 135 A HA 0.255 4.574 4.320 -0.001 0.000 0.248 135 A C -2.009 175.589 177.584 0.024 0.000 1.082 135 A CA -1.208 50.847 52.037 0.029 0.000 0.789 135 A CB -0.307 18.711 19.000 0.030 0.000 1.025 135 A HN 0.547 nan 8.150 nan 0.000 0.490 136 P HA 0.214 nan 4.420 nan 0.000 0.271 136 P C 0.600 177.910 177.300 0.017 0.000 1.216 136 P CA 0.302 63.410 63.100 0.014 0.000 0.771 136 P CB 0.516 32.222 31.700 0.009 0.000 0.864 137 G N 1.668 110.476 108.800 0.014 0.000 2.527 137 G HA2 0.027 3.986 3.960 -0.001 0.000 0.279 137 G HA3 0.027 3.986 3.960 -0.001 0.000 0.279 137 G C 1.064 175.974 174.900 0.016 0.000 1.374 137 G CA -0.463 44.647 45.100 0.016 0.000 1.053 137 G HN 0.357 nan 8.290 nan 0.000 0.539 138 I N -0.878 119.702 120.570 0.016 0.000 2.264 138 I HA -0.105 4.064 4.170 -0.001 0.000 0.248 138 I C 2.529 178.651 176.117 0.009 0.000 1.111 138 I CA 0.665 61.973 61.300 0.014 0.000 1.382 138 I CB -0.281 37.727 38.000 0.014 0.000 1.060 138 I HN 0.269 nan 8.210 nan 0.000 0.418 139 L N 1.229 122.456 121.223 0.006 0.000 2.049 139 L HA 0.034 4.374 4.340 -0.001 0.000 0.203 139 L C -0.885 175.984 176.870 -0.001 0.000 1.074 139 L CA 1.808 56.650 54.840 0.002 0.000 0.749 139 L CB -1.739 40.320 42.059 0.001 0.000 0.907 139 L HN 0.186 nan 8.230 nan 0.000 0.439 140 P HA 0.202 nan 4.420 nan 0.000 0.211 140 P C -0.607 176.692 177.300 -0.003 0.000 1.833 140 P CA 0.039 63.135 63.100 -0.006 0.000 0.938 140 P CB 0.059 31.754 31.700 -0.009 0.000 1.808 141 R N -0.079 120.421 120.500 -0.001 0.000 2.930 141 R HA 0.716 5.055 4.340 -0.001 0.000 0.257 141 R C -0.002 176.296 176.300 -0.003 0.000 1.107 141 R CA -0.910 55.192 56.100 0.003 0.000 0.999 141 R CB 2.345 32.651 30.300 0.009 0.000 1.209 141 R HN 0.028 nan 8.270 nan 0.000 0.486 142 R N -0.219 120.282 120.500 0.001 0.000 2.855 142 R HA 0.390 4.729 4.340 -0.001 0.000 0.266 142 R C -0.968 175.327 176.300 -0.009 0.000 1.034 142 R CA -0.587 55.501 56.100 -0.020 0.000 0.944 142 R CB 2.237 32.511 30.300 -0.043 0.000 1.219 142 R HN 0.654 nan 8.270 nan 0.000 0.474 143 S N 0.577 116.253 115.700 -0.039 0.000 2.560 143 S HA 0.060 4.529 4.470 -0.001 0.000 0.284 143 S C -0.117 174.509 174.600 0.044 0.000 1.327 143 S CA -0.408 57.782 58.200 -0.017 0.000 1.055 143 S CB 0.852 64.021 63.200 -0.051 0.000 0.868 143 S HN 0.312 nan 8.310 nan 0.000 0.506 144 V N 5.513 125.474 119.914 0.079 0.000 2.439 144 V HA 0.119 4.238 4.120 -0.001 0.000 0.271 144 V C 1.120 177.319 176.094 0.176 0.000 1.040 144 V CA 0.236 62.614 62.300 0.129 0.000 1.002 144 V CB -0.012 31.849 31.823 0.063 0.000 1.000 144 V HN 1.042 nan 8.190 nan 0.000 0.477 145 H N 2.312 121.365 119.070 -0.028 0.000 3.535 145 H HA 0.343 4.899 4.556 -0.001 0.000 0.260 145 H C 0.192 175.483 175.328 -0.062 0.000 1.173 145 H CA -0.502 55.524 56.048 -0.037 0.000 1.168 145 H CB 0.405 30.151 29.762 -0.028 0.000 1.568 145 H HN 0.561 nan 8.280 nan 0.000 0.602 146 E N 3.584 123.543 120.200 -0.402 0.000 2.216 146 E HA 0.358 4.707 4.350 -0.001 0.000 0.279 146 E C -2.625 173.816 176.600 -0.264 0.000 0.997 146 E CA -2.071 54.078 56.400 -0.417 0.000 0.817 146 E CB 1.672 31.071 29.700 -0.501 0.000 1.096 146 E HN 0.212 nan 8.360 nan 0.000 0.393 147 P HA 0.053 nan 4.420 nan 0.000 0.278 147 P C -0.780 176.350 177.300 -0.283 0.000 1.238 147 P CA -0.386 62.587 63.100 -0.212 0.000 0.794 147 P CB 0.709 32.298 31.700 -0.186 0.000 0.955 148 V N 3.852 123.639 119.914 -0.212 0.000 2.240 148 V HA 0.151 4.270 4.120 -0.001 0.000 0.265 148 V C 0.383 176.386 176.094 -0.151 0.000 1.073 148 V CA -0.217 61.952 62.300 -0.218 0.000 0.857 148 V CB -0.161 31.581 31.823 -0.135 0.000 1.114 148 V HN 0.491 nan 8.190 nan 0.000 0.469 149 Q N 1.802 121.486 119.800 -0.193 0.000 2.286 149 Q HA 0.133 4.472 4.340 -0.001 0.000 0.267 149 Q C 1.453 177.507 176.000 0.090 0.000 1.028 149 Q CA 0.350 56.144 55.803 -0.014 0.000 0.901 149 Q CB 1.152 29.951 28.738 0.103 0.000 1.183 149 Q HN 0.874 nan 8.270 nan 0.000 0.392 150 T N -0.856 113.736 114.554 0.064 0.000 3.054 150 T HA 0.132 4.481 4.350 -0.001 0.000 0.259 150 T C 1.317 176.063 174.700 0.078 0.000 1.092 150 T CA 0.427 62.568 62.100 0.067 0.000 1.121 150 T CB 0.077 68.965 68.868 0.034 0.000 0.912 150 T HN 0.872 nan 8.240 nan 0.000 0.489 151 G N 1.250 110.099 108.800 0.082 0.000 2.147 151 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.244 151 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.244 151 G C -0.120 174.800 174.900 0.034 0.000 1.005 151 G CA 0.271 45.407 45.100 0.059 0.000 0.713 151 G HN 0.641 nan 8.290 nan 0.000 0.515 152 L N 0.109 121.351 121.223 0.031 0.000 2.283 152 L HA 0.381 4.720 4.340 -0.001 0.000 0.281 152 L C 1.719 178.604 176.870 0.025 0.000 1.033 152 L CA -0.858 53.994 54.840 0.020 0.000 0.848 152 L CB 1.087 43.154 42.059 0.014 0.000 1.226 152 L HN 0.100 nan 8.230 nan 0.000 0.429 153 K N 2.186 122.601 120.400 0.025 0.000 2.030 153 K HA -0.328 3.992 4.320 -0.001 0.000 0.222 153 K C 2.018 178.636 176.600 0.030 0.000 1.056 153 K CA 2.312 58.617 56.287 0.030 0.000 0.957 153 K CB -0.222 32.297 32.500 0.032 0.000 0.727 153 K HN 0.792 nan 8.250 nan 0.000 0.452 154 A N 0.704 123.541 122.820 0.027 0.000 1.903 154 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 154 A C 2.413 180.018 177.584 0.034 0.000 1.191 154 A CA 2.149 54.205 52.037 0.032 0.000 0.638 154 A CB -0.840 18.180 19.000 0.033 0.000 0.823 154 A HN 0.165 nan 8.150 nan 0.000 0.451 155 V N 0.171 120.103 119.914 0.030 0.000 2.379 155 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 155 V C 1.864 177.974 176.094 0.026 0.000 1.044 155 V CA 2.250 64.567 62.300 0.028 0.000 1.036 155 V CB -0.691 31.145 31.823 0.022 0.000 0.664 155 V HN 0.493 nan 8.190 nan 0.000 0.453 156 D N -0.233 120.183 120.400 0.026 0.000 2.347 156 D HA 0.069 4.709 4.640 -0.001 0.000 0.215 156 D C 1.764 178.079 176.300 0.025 0.000 0.976 156 D CA 1.119 55.133 54.000 0.024 0.000 0.884 156 D CB 0.236 41.054 40.800 0.030 0.000 0.915 156 D HN 0.461 nan 8.370 nan 0.000 0.526 157 A N -0.642 122.196 122.820 0.030 0.000 2.055 157 A HA 0.198 4.517 4.320 -0.001 0.000 0.205 157 A C 1.953 179.558 177.584 0.034 0.000 1.235 157 A CA 0.073 52.129 52.037 0.031 0.000 0.822 157 A CB 0.094 19.113 19.000 0.032 0.000 0.903 157 A HN 0.128 nan 8.150 nan 0.000 0.473 158 L N -0.400 120.846 121.223 0.038 0.000 2.269 158 L HA 0.114 4.454 4.340 -0.001 0.000 0.200 158 L C 0.500 177.395 176.870 0.043 0.000 1.069 158 L CA 0.777 55.645 54.840 0.046 0.000 0.804 158 L CB 0.146 42.238 42.059 0.054 0.000 0.987 158 L HN 0.225 nan 8.230 nan 0.000 0.468 159 V N -1.866 118.071 119.914 0.038 0.000 2.454 159 V HA 0.367 4.486 4.120 -0.001 0.000 0.255 159 V C -2.636 173.471 176.094 0.021 0.000 1.009 159 V CA -1.778 60.542 62.300 0.034 0.000 1.149 159 V CB -0.189 31.659 31.823 0.041 0.000 1.418 159 V HN -0.011 nan 8.190 nan 0.000 0.567 160 P HA 0.371 nan 4.420 nan 0.000 0.271 160 P C -0.199 177.099 177.300 -0.004 0.000 1.226 160 P CA 0.259 63.361 63.100 0.004 0.000 0.765 160 P CB 1.564 33.265 31.700 0.002 0.000 0.835 161 I N 2.445 123.005 120.570 -0.016 0.000 2.440 161 I HA 0.477 4.646 4.170 -0.001 0.000 0.294 161 I C 1.168 177.259 176.117 -0.044 0.000 0.995 161 I CA -0.097 61.189 61.300 -0.023 0.000 1.306 161 I CB 1.458 39.445 38.000 -0.023 0.000 1.407 161 I HN 0.358 nan 8.210 nan 0.000 0.501 162 G N 4.210 112.988 108.800 -0.037 0.000 2.448 162 G HA2 0.474 4.433 3.960 -0.001 0.000 0.324 162 G HA3 0.474 4.433 3.960 -0.001 0.000 0.324 162 G C -0.606 174.262 174.900 -0.053 0.000 1.203 162 G CA -0.833 44.235 45.100 -0.053 0.000 0.954 162 G HN 0.515 nan 8.290 nan 0.000 0.480 163 R N 0.655 121.101 120.500 -0.091 0.000 2.498 163 R HA 0.346 4.686 4.340 -0.001 0.000 0.334 163 R C 1.288 177.598 176.300 0.016 0.000 1.106 163 R CA 1.463 57.521 56.100 -0.069 0.000 0.995 163 R CB 0.000 30.193 30.300 -0.179 0.000 0.989 163 R HN 1.015 nan 8.270 nan 0.000 0.455 164 G N 1.882 110.701 108.800 0.033 0.000 2.624 164 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.190 164 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.190 164 G C -0.020 174.901 174.900 0.035 0.000 1.008 164 G CA -0.243 44.888 45.100 0.051 0.000 0.731 164 G HN 0.576 nan 8.290 nan 0.000 0.478 165 Q N 1.105 120.918 119.800 0.021 0.000 2.306 165 Q HA 0.657 4.997 4.340 -0.001 0.000 0.241 165 Q C -0.191 175.817 176.000 0.013 0.000 0.948 165 Q CA -0.485 55.328 55.803 0.016 0.000 0.886 165 Q CB 0.626 29.370 28.738 0.010 0.000 1.227 165 Q HN 0.432 nan 8.270 nan 0.000 0.457 166 R N 2.008 122.514 120.500 0.011 0.000 2.294 166 R HA 0.334 4.673 4.340 -0.001 0.000 0.319 166 R C -1.095 175.201 176.300 -0.006 0.000 0.984 166 R CA -0.588 55.516 56.100 0.006 0.000 0.861 166 R CB 1.236 31.535 30.300 -0.002 0.000 1.104 166 R HN 0.595 nan 8.270 nan 0.000 0.451 167 E N 3.072 123.265 120.200 -0.012 0.000 2.283 167 E HA 0.170 4.519 4.350 -0.001 0.000 0.258 167 E C -1.582 174.991 176.600 -0.044 0.000 0.893 167 E CA -0.862 55.524 56.400 -0.024 0.000 0.798 167 E CB 1.043 30.733 29.700 -0.016 0.000 1.242 167 E HN 0.377 nan 8.360 nan 0.000 0.414 168 L N 5.394 126.575 121.223 -0.070 0.000 2.455 168 L HA 0.395 4.734 4.340 -0.001 0.000 0.272 168 L C -0.839 175.951 176.870 -0.134 0.000 1.174 168 L CA 0.473 55.246 54.840 -0.113 0.000 0.869 168 L CB 0.314 42.284 42.059 -0.147 0.000 1.130 168 L HN 0.665 nan 8.230 nan 0.000 0.474 169 I N 7.248 127.742 120.570 -0.126 0.000 2.330 169 I HA 0.391 4.560 4.170 -0.001 0.000 0.286 169 I C -0.305 175.711 176.117 -0.169 0.000 1.025 169 I CA -0.160 61.063 61.300 -0.129 0.000 1.197 169 I CB 1.112 39.071 38.000 -0.068 0.000 1.358 169 I HN 0.576 nan 8.210 nan 0.000 0.467 170 I N 5.412 125.821 120.570 -0.268 0.000 2.608 170 I HA 0.927 5.097 4.170 -0.001 0.000 0.295 170 I C -0.241 175.761 176.117 -0.192 0.000 1.049 170 I CA -0.034 61.095 61.300 -0.286 0.000 1.063 170 I CB 2.028 39.743 38.000 -0.476 0.000 1.248 170 I HN 0.656 nan 8.210 nan 0.000 0.424 171 G N 4.635 113.404 108.800 -0.052 0.000 2.342 171 G HA2 0.183 4.142 3.960 -0.001 0.000 0.297 171 G HA3 0.183 4.142 3.960 -0.001 0.000 0.297 171 G C -1.749 173.182 174.900 0.052 0.000 1.313 171 G CA -0.678 44.459 45.100 0.061 0.000 0.830 171 G HN 0.518 nan 8.290 nan 0.000 0.506 172 D N 0.031 120.471 120.400 0.066 0.000 2.273 172 D HA 0.370 5.010 4.640 -0.001 0.000 0.247 172 D C 1.296 177.607 176.300 0.019 0.000 1.313 172 D CA 0.048 54.076 54.000 0.048 0.000 0.974 172 D CB 0.282 41.114 40.800 0.053 0.000 1.157 172 D HN 0.654 nan 8.370 nan 0.000 0.533 173 R N 0.080 120.590 120.500 0.017 0.000 2.694 173 R HA 0.166 4.505 4.340 -0.001 0.000 0.268 173 R C -0.093 176.188 176.300 -0.031 0.000 1.061 173 R CA -0.432 55.668 56.100 0.001 0.000 1.133 173 R CB 0.160 30.468 30.300 0.013 0.000 1.020 173 R HN 0.082 nan 8.270 nan 0.000 0.475 174 Q N 0.062 119.832 119.800 -0.051 0.000 2.439 174 Q HA -0.173 4.166 4.340 -0.001 0.000 0.325 174 Q C 0.018 175.875 176.000 -0.238 0.000 1.372 174 Q CA 1.660 57.394 55.803 -0.116 0.000 0.909 174 Q CB -1.638 27.047 28.738 -0.090 0.000 1.167 174 Q HN 1.038 nan 8.270 nan 0.000 0.418 175 T N -6.037 108.404 114.554 -0.188 0.000 2.971 175 T HA 0.441 4.791 4.350 -0.001 0.000 0.252 175 T C 1.171 175.776 174.700 -0.159 0.000 1.022 175 T CA 0.730 62.694 62.100 -0.227 0.000 0.980 175 T CB 1.141 69.968 68.868 -0.069 0.000 1.044 175 T HN 0.779 nan 8.240 nan 0.000 0.501 176 G N 1.776 110.519 108.800 -0.094 0.000 2.151 176 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.140 176 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.140 176 G C 0.688 175.587 174.900 -0.002 0.000 1.020 176 G CA 0.120 45.209 45.100 -0.017 0.000 0.688 176 G HN 0.467 nan 8.290 nan 0.000 0.500 177 K N -0.095 120.299 120.400 -0.010 0.000 2.009 177 K HA -0.080 4.239 4.320 -0.001 0.000 0.210 177 K C 2.456 179.065 176.600 0.016 0.000 1.049 177 K CA 1.939 58.224 56.287 -0.003 0.000 0.929 177 K CB -0.376 32.117 32.500 -0.012 0.000 0.714 177 K HN 0.281 nan 8.250 nan 0.000 0.440 178 T N 1.189 115.760 114.554 0.029 0.000 2.821 178 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 178 T C 2.073 176.796 174.700 0.038 0.000 1.046 178 T CA 1.217 63.358 62.100 0.069 0.000 1.139 178 T CB -0.289 68.631 68.868 0.087 0.000 0.871 178 T HN 0.358 nan 8.240 nan 0.000 0.454 179 A N 1.094 123.912 122.820 -0.004 0.000 1.908 179 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 179 A C 2.577 180.131 177.584 -0.050 0.000 1.181 179 A CA 1.505 53.508 52.037 -0.057 0.000 0.627 179 A CB -1.108 17.844 19.000 -0.080 0.000 0.818 179 A HN 0.359 nan 8.150 nan 0.000 0.445 180 V N -0.285 119.619 119.914 -0.017 0.000 2.295 180 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 180 V C 3.079 179.176 176.094 0.006 0.000 1.049 180 V CA 2.011 64.306 62.300 -0.009 0.000 1.024 180 V CB -1.244 30.579 31.823 0.001 0.000 0.648 180 V HN 0.638 nan 8.190 nan 0.000 0.447 181 A N -0.369 122.468 122.820 0.028 0.000 1.908 181 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 181 A C 2.168 179.789 177.584 0.062 0.000 1.181 181 A CA 2.190 54.262 52.037 0.059 0.000 0.627 181 A CB -0.622 18.445 19.000 0.111 0.000 0.818 181 A HN 0.446 nan 8.150 nan 0.000 0.445 182 L N -0.020 121.227 121.223 0.039 0.000 2.046 182 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 182 L C 1.556 178.428 176.870 0.004 0.000 1.077 182 L CA 2.333 57.179 54.840 0.008 0.000 0.747 182 L CB -0.543 41.512 42.059 -0.005 0.000 0.896 182 L HN 0.345 nan 8.230 nan 0.000 0.432 183 D N -1.482 118.908 120.400 -0.016 0.000 2.224 183 D HA -0.113 4.527 4.640 -0.001 0.000 0.205 183 D C 1.961 178.271 176.300 0.017 0.000 0.965 183 D CA 1.474 55.460 54.000 -0.022 0.000 0.852 183 D CB 0.043 40.807 40.800 -0.060 0.000 0.947 183 D HN 0.388 nan 8.370 nan 0.000 0.494 184 T N 1.456 116.028 114.554 0.030 0.000 2.674 184 T HA -0.088 4.262 4.350 -0.001 0.000 0.265 184 T C 2.289 177.039 174.700 0.084 0.000 1.039 184 T CA 0.608 62.740 62.100 0.053 0.000 1.150 184 T CB -0.193 68.700 68.868 0.042 0.000 0.864 184 T HN 0.145 nan 8.240 nan 0.000 0.427 185 I N 1.028 121.652 120.570 0.091 0.000 2.127 185 I HA -0.184 3.985 4.170 -0.001 0.000 0.241 185 I C 2.458 178.696 176.117 0.201 0.000 1.075 185 I CA 1.365 62.758 61.300 0.155 0.000 1.334 185 I CB -0.571 37.503 38.000 0.122 0.000 1.040 185 I HN 0.196 nan 8.210 nan 0.000 0.405 186 L N 0.453 121.740 121.223 0.106 0.000 2.043 186 L HA -0.290 4.049 4.340 -0.001 0.000 0.212 186 L C 2.376 179.322 176.870 0.127 0.000 1.075 186 L CA 1.698 56.593 54.840 0.093 0.000 0.752 186 L CB -0.987 41.041 42.059 -0.051 0.000 0.891 186 L HN 0.394 nan 8.230 nan 0.000 0.432 187 N N -0.051 118.702 118.700 0.087 0.000 2.192 187 N HA -0.215 4.524 4.740 -0.001 0.000 0.188 187 N C 1.805 177.323 175.510 0.014 0.000 1.013 187 N CA 1.191 54.270 53.050 0.048 0.000 0.863 187 N CB -0.018 38.532 38.487 0.104 0.000 0.990 187 N HN 0.276 nan 8.380 nan 0.000 0.430 188 Q N 0.688 120.546 119.800 0.096 0.000 2.364 188 Q HA -0.086 4.253 4.340 -0.001 0.000 0.209 188 Q C 1.631 177.487 176.000 -0.240 0.000 0.977 188 Q CA 0.600 56.428 55.803 0.042 0.000 0.885 188 Q CB -0.245 28.365 28.738 -0.214 0.000 0.941 188 Q HN 0.483 nan 8.270 nan 0.000 0.464 189 K N 0.824 121.115 120.400 -0.181 0.000 2.117 189 K HA -0.228 4.092 4.320 -0.001 0.000 0.215 189 K C 1.986 178.422 176.600 -0.273 0.000 1.053 189 K CA 1.589 57.809 56.287 -0.111 0.000 0.935 189 K CB -0.172 32.337 32.500 0.015 0.000 0.719 189 K HN 0.256 nan 8.250 nan 0.000 0.460 190 R N -0.790 119.395 120.500 -0.524 0.000 2.154 190 R HA -0.187 4.152 4.340 -0.001 0.000 0.248 190 R C 1.972 177.780 176.300 -0.820 0.000 1.155 190 R CA 1.809 57.368 56.100 -0.900 0.000 0.979 190 R CB -0.127 29.131 30.300 -1.736 0.000 0.869 190 R HN 0.493 nan 8.270 nan 0.000 0.452 191 W N -1.062 120.135 121.300 -0.172 0.000 2.871 191 W HA 0.196 4.855 4.660 -0.001 0.000 0.267 191 W C 1.247 177.640 176.519 -0.209 0.000 1.180 191 W CA -0.535 56.704 57.345 -0.177 0.000 1.463 191 W CB -0.389 28.956 29.460 -0.192 0.000 0.966 191 W HN 0.044 nan 8.180 nan 0.000 0.605 192 N N 1.108 119.735 118.700 -0.121 0.000 2.459 192 N HA -0.091 4.649 4.740 -0.001 0.000 0.181 192 N C 0.909 176.377 175.510 -0.069 0.000 1.046 192 N CA 0.821 53.744 53.050 -0.212 0.000 0.904 192 N CB -0.488 37.672 38.487 -0.544 0.000 0.964 192 N HN 0.135 nan 8.380 nan 0.000 0.444 193 N N 0.264 118.933 118.700 -0.051 0.000 2.322 193 N HA 0.061 4.800 4.740 -0.001 0.000 0.194 193 N C 0.969 176.473 175.510 -0.010 0.000 1.126 193 N CA 0.055 53.098 53.050 -0.011 0.000 0.845 193 N CB 0.525 39.001 38.487 -0.019 0.000 0.976 193 N HN 0.159 nan 8.380 nan 0.000 0.475 194 G N 0.111 108.907 108.800 -0.007 0.000 2.543 194 G HA2 0.278 4.237 3.960 -0.001 0.000 0.267 194 G HA3 0.278 4.237 3.960 -0.001 0.000 0.267 194 G C 0.655 175.574 174.900 0.031 0.000 1.406 194 G CA -0.122 44.985 45.100 0.011 0.000 1.048 194 G HN 0.213 nan 8.290 nan 0.000 0.548 195 S N -1.998 113.726 115.700 0.039 0.000 2.632 195 S HA 0.111 4.580 4.470 -0.001 0.000 0.237 195 S C 0.153 174.787 174.600 0.057 0.000 1.037 195 S CA 0.131 58.361 58.200 0.049 0.000 1.009 195 S CB 0.459 63.684 63.200 0.041 0.000 0.974 195 S HN 0.407 nan 8.310 nan 0.000 0.544 196 D N 2.573 123.006 120.400 0.055 0.000 2.455 196 D HA 0.262 4.901 4.640 -0.001 0.000 0.234 196 D C 1.125 177.465 176.300 0.066 0.000 1.224 196 D CA 0.035 54.068 54.000 0.055 0.000 0.999 196 D CB 0.636 41.463 40.800 0.046 0.000 1.072 196 D HN 0.182 nan 8.370 nan 0.000 0.514 197 E N 1.386 121.639 120.200 0.089 0.000 2.187 197 E HA -0.230 4.119 4.350 -0.001 0.000 0.199 197 E C 1.588 178.273 176.600 0.143 0.000 1.004 197 E CA 1.603 58.083 56.400 0.134 0.000 0.813 197 E CB -0.007 29.782 29.700 0.148 0.000 0.736 197 E HN 0.429 nan 8.360 nan 0.000 0.468 198 S N -1.307 114.457 115.700 0.107 0.000 2.593 198 S HA 0.082 4.551 4.470 -0.001 0.000 0.217 198 S C 1.445 176.055 174.600 0.017 0.000 0.966 198 S CA 0.113 58.391 58.200 0.131 0.000 0.914 198 S CB 0.133 63.395 63.200 0.103 0.000 0.776 198 S HN 0.137 nan 8.310 nan 0.000 0.523 199 K N 0.637 121.015 120.400 -0.037 0.000 2.367 199 K HA 0.243 4.562 4.320 -0.001 0.000 0.194 199 K C 0.142 176.615 176.600 -0.210 0.000 1.027 199 K CA 0.020 56.199 56.287 -0.180 0.000 1.075 199 K CB 0.302 32.728 32.500 -0.123 0.000 0.845 199 K HN 0.309 nan 8.250 nan 0.000 0.529 200 K N 1.195 121.541 120.400 -0.090 0.000 2.258 200 K HA 0.174 4.494 4.320 -0.001 0.000 0.264 200 K C -0.751 175.705 176.600 -0.240 0.000 1.007 200 K CA -0.260 55.916 56.287 -0.186 0.000 0.941 200 K CB 0.668 33.033 32.500 -0.224 0.000 0.966 200 K HN -0.157 nan 8.250 nan 0.000 0.480 201 L N 3.693 124.680 121.223 -0.394 0.000 2.471 201 L HA 0.287 4.627 4.340 -0.001 0.000 0.263 201 L C -1.721 174.926 176.870 -0.373 0.000 0.985 201 L CA -0.342 54.332 54.840 -0.278 0.000 0.868 201 L CB 0.582 42.517 42.059 -0.207 0.000 1.203 201 L HN 0.454 nan 8.230 nan 0.000 0.429 202 Y N 2.967 123.160 120.300 -0.178 0.000 2.319 202 Y HA 0.447 4.996 4.550 -0.001 0.000 0.328 202 Y C 0.612 176.426 175.900 -0.142 0.000 1.133 202 Y CA -0.120 57.848 58.100 -0.220 0.000 1.265 202 Y CB 0.826 38.872 38.460 -0.690 0.000 1.218 202 Y HN 0.485 nan 8.280 nan 0.000 0.508 203 C N 3.071 122.458 119.300 0.145 0.000 2.376 203 C HA 0.721 5.180 4.460 -0.001 0.000 0.335 203 C C -0.245 174.786 174.990 0.068 0.000 1.229 203 C CA -1.118 57.961 59.018 0.103 0.000 1.867 203 C CB 0.659 28.500 27.740 0.168 0.000 2.319 203 C HN 0.566 nan 8.230 nan 0.000 0.515 204 V N 2.904 122.833 119.914 0.025 0.000 2.444 204 V HA 0.323 4.443 4.120 -0.001 0.000 0.294 204 V C -1.022 175.064 176.094 -0.013 0.000 1.022 204 V CA -0.538 61.767 62.300 0.010 0.000 0.850 204 V CB 1.181 32.985 31.823 -0.033 0.000 0.992 204 V HN 0.819 nan 8.190 nan 0.000 0.426 205 Y N 4.894 125.145 120.300 -0.083 0.000 2.334 205 Y HA 0.650 5.199 4.550 -0.001 0.000 0.336 205 Y C -0.352 175.494 175.900 -0.091 0.000 0.960 205 Y CA -0.652 57.391 58.100 -0.095 0.000 1.164 205 Y CB 1.626 40.051 38.460 -0.058 0.000 1.155 205 Y HN 0.435 nan 8.280 nan 0.000 0.478 206 V N 6.333 125.913 119.914 -0.556 0.000 2.364 206 V HA 0.585 4.705 4.120 -0.001 0.000 0.272 206 V C 0.113 175.989 176.094 -0.363 0.000 1.036 206 V CA -0.643 61.460 62.300 -0.329 0.000 0.880 206 V CB 0.784 32.462 31.823 -0.243 0.000 0.991 206 V HN 0.915 nan 8.190 nan 0.000 0.460 207 A N 5.542 128.311 122.820 -0.085 0.000 2.260 207 A HA 0.703 5.022 4.320 -0.001 0.000 0.312 207 A C -0.426 177.165 177.584 0.011 0.000 1.321 207 A CA -0.358 51.694 52.037 0.026 0.000 0.928 207 A CB 0.458 19.559 19.000 0.169 0.000 1.158 207 A HN 0.702 nan 8.150 nan 0.000 0.542 208 V N 2.591 122.503 119.914 -0.003 0.000 2.350 208 V HA 0.620 4.739 4.120 -0.001 0.000 0.285 208 V C 1.165 177.285 176.094 0.042 0.000 1.014 208 V CA 0.416 62.728 62.300 0.021 0.000 0.831 208 V CB 0.606 32.435 31.823 0.009 0.000 1.000 208 V HN 1.755 nan 8.190 nan 0.000 0.433 209 G N 3.902 112.735 108.800 0.056 0.000 2.184 209 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.264 209 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.264 209 G C 0.248 175.182 174.900 0.056 0.000 0.975 209 G CA 0.485 45.620 45.100 0.059 0.000 0.642 209 G HN 0.653 nan 8.290 nan 0.000 0.536 210 Q N 0.640 120.476 119.800 0.060 0.000 2.394 210 Q HA 0.439 4.778 4.340 -0.001 0.000 0.248 210 Q C 1.031 177.063 176.000 0.054 0.000 0.992 210 Q CA 0.189 56.030 55.803 0.063 0.000 0.888 210 Q CB 0.461 29.251 28.738 0.087 0.000 1.257 210 Q HN 0.643 nan 8.270 nan 0.000 0.462 211 K N 1.510 121.938 120.400 0.047 0.000 2.202 211 K HA 0.146 4.466 4.320 -0.001 0.000 0.264 211 K C 0.267 176.890 176.600 0.038 0.000 1.010 211 K CA -0.408 55.902 56.287 0.039 0.000 0.940 211 K CB 0.979 33.499 32.500 0.033 0.000 0.983 211 K HN 0.491 nan 8.250 nan 0.000 0.475 212 R N 0.738 121.257 120.500 0.032 0.000 2.080 212 R HA -0.190 4.149 4.340 -0.001 0.000 0.236 212 R C 2.537 178.851 176.300 0.022 0.000 1.137 212 R CA 2.414 58.531 56.100 0.028 0.000 0.943 212 R CB -0.510 29.804 30.300 0.023 0.000 0.846 212 R HN 0.982 nan 8.270 nan 0.000 0.431 213 S N -0.320 115.390 115.700 0.018 0.000 2.387 213 S HA -0.195 4.274 4.470 -0.001 0.000 0.230 213 S C 1.927 176.534 174.600 0.012 0.000 1.035 213 S CA 2.004 60.211 58.200 0.012 0.000 1.014 213 S CB -0.619 62.589 63.200 0.012 0.000 0.836 213 S HN 0.264 nan 8.310 nan 0.000 0.466 214 T N 1.720 116.286 114.554 0.020 0.000 2.867 214 T HA 0.034 4.383 4.350 -0.001 0.000 0.268 214 T C 1.819 176.527 174.700 0.014 0.000 1.057 214 T CA 1.273 63.386 62.100 0.021 0.000 1.136 214 T CB -0.414 68.475 68.868 0.034 0.000 0.874 214 T HN 0.360 nan 8.240 nan 0.000 0.466 215 V N 1.597 121.525 119.914 0.023 0.000 2.379 215 V HA -0.092 4.027 4.120 -0.001 0.000 0.245 215 V C 2.834 178.918 176.094 -0.016 0.000 1.044 215 V CA 1.429 63.738 62.300 0.015 0.000 1.036 215 V CB -1.272 30.578 31.823 0.045 0.000 0.664 215 V HN 0.486 nan 8.190 nan 0.000 0.453 216 A N 0.368 123.184 122.820 -0.008 0.000 1.842 216 A HA -0.359 3.961 4.320 -0.001 0.000 0.217 216 A C 2.224 179.790 177.584 -0.029 0.000 1.206 216 A CA 2.488 54.514 52.037 -0.017 0.000 0.630 216 A CB -0.891 18.104 19.000 -0.009 0.000 0.839 216 A HN 0.522 nan 8.150 nan 0.000 0.447 217 Q N -0.307 119.481 119.800 -0.020 0.000 2.242 217 Q HA -0.194 4.146 4.340 -0.001 0.000 0.211 217 Q C 1.718 177.694 176.000 -0.040 0.000 0.992 217 Q CA 2.202 57.993 55.803 -0.021 0.000 0.889 217 Q CB -0.571 28.164 28.738 -0.004 0.000 0.913 217 Q HN 0.686 nan 8.270 nan 0.000 0.422 218 L N -0.977 120.210 121.223 -0.059 0.000 2.102 218 L HA -0.044 4.295 4.340 -0.001 0.000 0.202 218 L C 2.130 178.927 176.870 -0.121 0.000 1.076 218 L CA 1.021 55.796 54.840 -0.108 0.000 0.761 218 L CB -0.208 41.742 42.059 -0.182 0.000 0.921 218 L HN 0.305 nan 8.230 nan 0.000 0.444 219 V N -2.460 117.392 119.914 -0.103 0.000 2.594 219 V HA -0.288 3.831 4.120 -0.001 0.000 0.253 219 V C 2.245 178.293 176.094 -0.076 0.000 1.069 219 V CA 1.868 64.113 62.300 -0.093 0.000 1.082 219 V CB -1.139 30.644 31.823 -0.067 0.000 0.680 219 V HN 0.635 nan 8.190 nan 0.000 0.469 220 Q N 1.320 121.082 119.800 -0.063 0.000 2.030 220 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 220 Q C 2.280 178.244 176.000 -0.060 0.000 0.986 220 Q CA 3.068 58.837 55.803 -0.058 0.000 0.843 220 Q CB -0.458 28.250 28.738 -0.050 0.000 0.904 220 Q HN 0.746 nan 8.270 nan 0.000 0.420 221 T N 1.213 115.730 114.554 -0.062 0.000 2.821 221 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 221 T C 1.814 176.522 174.700 0.013 0.000 1.046 221 T CA 1.079 63.154 62.100 -0.041 0.000 1.139 221 T CB -0.209 68.608 68.868 -0.085 0.000 0.871 221 T HN 0.220 nan 8.240 nan 0.000 0.454 222 L N 0.545 121.734 121.223 -0.056 0.000 2.012 222 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 222 L C 2.843 179.681 176.870 -0.054 0.000 1.073 222 L CA 1.642 56.435 54.840 -0.078 0.000 0.748 222 L CB -0.479 41.495 42.059 -0.142 0.000 0.891 222 L HN 0.303 nan 8.230 nan 0.000 0.431 223 E N -0.379 119.782 120.200 -0.065 0.000 2.051 223 E HA -0.263 4.087 4.350 -0.001 0.000 0.192 223 E C 2.179 178.738 176.600 -0.067 0.000 0.991 223 E CA 0.998 57.359 56.400 -0.066 0.000 0.799 223 E CB -0.023 29.637 29.700 -0.066 0.000 0.748 223 E HN 0.441 nan 8.360 nan 0.000 0.449 224 Q N -0.471 119.284 119.800 -0.076 0.000 2.389 224 Q HA -0.179 4.160 4.340 -0.001 0.000 0.213 224 Q C 0.992 176.813 176.000 -0.299 0.000 0.989 224 Q CA 0.978 56.682 55.803 -0.166 0.000 0.891 224 Q CB 0.011 28.642 28.738 -0.177 0.000 0.923 224 Q HN 0.449 nan 8.270 nan 0.000 0.455 225 H N -0.983 118.026 119.070 -0.102 0.000 2.592 225 H HA 0.035 4.591 4.556 -0.001 0.000 0.279 225 H C -0.341 174.950 175.328 -0.062 0.000 1.089 225 H CA -0.038 55.964 56.048 -0.076 0.000 1.150 225 H CB 0.613 30.337 29.762 -0.064 0.000 1.575 225 H HN 0.169 nan 8.280 nan 0.000 0.547 226 D N 1.222 121.616 120.400 -0.009 0.000 2.735 226 D HA -0.192 4.447 4.640 -0.001 0.000 0.235 226 D C 0.651 176.915 176.300 -0.060 0.000 1.175 226 D CA 0.710 54.692 54.000 -0.030 0.000 0.683 226 D CB -0.956 39.840 40.800 -0.006 0.000 1.008 226 D HN 0.538 nan 8.370 nan 0.000 0.416 227 A N 0.555 123.260 122.820 -0.191 0.000 2.456 227 A HA 0.206 4.525 4.320 -0.001 0.000 0.237 227 A C 1.854 178.966 177.584 -0.788 0.000 1.217 227 A CA -0.062 51.647 52.037 -0.546 0.000 0.962 227 A CB 0.226 19.062 19.000 -0.273 0.000 1.079 227 A HN 0.321 nan 8.150 nan 0.000 0.536 228 M N 0.750 120.117 119.600 -0.388 0.000 2.447 228 M HA -0.015 4.464 4.480 -0.001 0.000 0.264 228 M C 1.812 177.988 176.300 -0.206 0.000 1.095 228 M CA 1.163 56.303 55.300 -0.267 0.000 1.125 228 M CB -0.537 31.976 32.600 -0.146 0.000 1.389 228 M HN 0.642 nan 8.290 nan 0.000 0.459 229 K N 0.030 120.320 120.400 -0.184 0.000 2.439 229 K HA -0.136 4.183 4.320 -0.001 0.000 0.197 229 K C 0.783 177.445 176.600 0.102 0.000 1.041 229 K CA 1.169 57.446 56.287 -0.018 0.000 0.970 229 K CB -0.359 32.167 32.500 0.044 0.000 0.773 229 K HN 0.476 nan 8.250 nan 0.000 0.479 230 Y N -1.139 119.201 120.300 0.067 0.000 2.626 230 Y HA 0.481 5.030 4.550 -0.001 0.000 0.248 230 Y C -0.194 175.761 175.900 0.091 0.000 1.147 230 Y CA -1.154 57.010 58.100 0.106 0.000 1.219 230 Y CB 0.265 38.717 38.460 -0.013 0.000 1.279 230 Y HN -0.137 nan 8.280 nan 0.000 0.541 231 S N 1.090 116.783 115.700 -0.011 0.000 2.681 231 S HA 0.765 5.234 4.470 -0.001 0.000 0.299 231 S C -0.731 173.895 174.600 0.044 0.000 1.113 231 S CA -0.627 57.584 58.200 0.019 0.000 1.013 231 S CB 1.792 64.939 63.200 -0.089 0.000 1.076 231 S HN 0.229 nan 8.310 nan 0.000 0.534 232 I N 2.034 122.640 120.570 0.060 0.000 2.497 232 I HA 0.308 4.478 4.170 -0.001 0.000 0.284 232 I C -1.104 175.050 176.117 0.062 0.000 1.060 232 I CA -0.545 60.789 61.300 0.057 0.000 1.071 232 I CB 1.285 39.334 38.000 0.081 0.000 1.216 232 I HN 0.357 nan 8.210 nan 0.000 0.442 233 I N 6.631 127.235 120.570 0.057 0.000 2.474 233 I HA 0.321 4.490 4.170 -0.001 0.000 0.287 233 I C 0.168 176.323 176.117 0.065 0.000 1.048 233 I CA -0.651 60.707 61.300 0.097 0.000 1.383 233 I CB 1.303 39.349 38.000 0.075 0.000 1.412 233 I HN 0.167 nan 8.210 nan 0.000 0.531 234 V N 5.505 125.455 119.914 0.060 0.000 2.443 234 V HA 0.679 4.799 4.120 -0.001 0.000 0.293 234 V C 0.143 176.254 176.094 0.030 0.000 1.021 234 V CA -0.722 61.594 62.300 0.025 0.000 0.848 234 V CB 1.571 33.393 31.823 -0.001 0.000 0.998 234 V HN 0.887 nan 8.190 nan 0.000 0.424 235 A N 3.970 126.809 122.820 0.031 0.000 2.303 235 A HA 0.878 5.197 4.320 -0.001 0.000 0.320 235 A C 0.161 177.762 177.584 0.030 0.000 1.192 235 A CA -0.239 51.822 52.037 0.041 0.000 0.821 235 A CB 1.349 20.377 19.000 0.046 0.000 1.188 235 A HN 1.354 nan 8.150 nan 0.000 0.492 236 A N 3.098 125.940 122.820 0.036 0.000 3.064 236 A HA 0.571 4.890 4.320 -0.001 0.000 0.339 236 A C 0.593 178.209 177.584 0.053 0.000 1.078 236 A CA 0.119 52.182 52.037 0.043 0.000 0.869 236 A CB -0.720 18.310 19.000 0.050 0.000 1.067 236 A HN 1.320 nan 8.150 nan 0.000 0.480 237 T N -1.776 112.807 114.554 0.049 0.000 2.802 237 T HA 0.418 4.768 4.350 -0.001 0.000 0.305 237 T C 1.645 176.377 174.700 0.053 0.000 1.053 237 T CA 0.128 62.259 62.100 0.051 0.000 1.058 237 T CB 0.903 69.798 68.868 0.045 0.000 0.988 237 T HN 1.358 nan 8.240 nan 0.000 0.539 238 A N 1.826 124.676 122.820 0.051 0.000 2.016 238 A HA -0.242 4.078 4.320 -0.001 0.000 0.225 238 A C 2.519 180.132 177.584 0.047 0.000 1.230 238 A CA 3.113 55.179 52.037 0.049 0.000 0.678 238 A CB -1.705 17.320 19.000 0.042 0.000 0.826 238 A HN 1.377 nan 8.150 nan 0.000 0.484 239 S N -0.949 114.778 115.700 0.044 0.000 2.503 239 S HA 0.156 4.625 4.470 -0.001 0.000 0.217 239 S C 0.606 175.235 174.600 0.048 0.000 0.999 239 S CA 0.143 58.368 58.200 0.040 0.000 0.914 239 S CB -0.056 63.164 63.200 0.033 0.000 0.782 239 S HN 0.689 nan 8.310 nan 0.000 0.520 240 E N 1.545 121.778 120.200 0.056 0.000 2.410 240 E HA 0.509 4.859 4.350 -0.001 0.000 0.255 240 E C 0.176 176.829 176.600 0.087 0.000 1.194 240 E CA -0.188 56.253 56.400 0.069 0.000 0.955 240 E CB 0.340 30.081 29.700 0.068 0.000 0.988 240 E HN 0.439 nan 8.360 nan 0.000 0.461 241 A N 0.876 123.765 122.820 0.114 0.000 2.498 241 A HA 0.266 4.585 4.320 -0.001 0.000 0.239 241 A C 1.212 178.887 177.584 0.152 0.000 1.068 241 A CA 0.533 52.649 52.037 0.131 0.000 0.766 241 A CB 0.312 19.422 19.000 0.183 0.000 1.003 241 A HN 0.745 nan 8.150 nan 0.000 0.497 242 A N 3.553 126.447 122.820 0.124 0.000 1.884 242 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 242 A C -0.077 177.643 177.584 0.227 0.000 1.197 242 A CA 2.301 54.423 52.037 0.143 0.000 0.637 242 A CB -1.872 17.181 19.000 0.089 0.000 0.827 242 A HN 0.647 nan 8.150 nan 0.000 0.450 243 P HA -0.170 nan 4.420 nan 0.000 0.216 243 P C 1.366 178.965 177.300 0.499 0.000 1.154 243 P CA 1.155 64.493 63.100 0.396 0.000 0.865 243 P CB -0.167 31.749 31.700 0.359 0.000 0.789 244 L N -1.257 120.189 121.223 0.372 0.000 2.027 244 L HA -0.201 4.138 4.340 -0.001 0.000 0.206 244 L C 2.708 179.686 176.870 0.179 0.000 1.074 244 L CA 1.655 56.619 54.840 0.207 0.000 0.745 244 L CB -1.228 40.895 42.059 0.107 0.000 0.898 244 L HN -0.034 nan 8.230 nan 0.000 0.433 245 Q N -0.720 119.194 119.800 0.189 0.000 1.985 245 Q HA -0.305 4.034 4.340 -0.001 0.000 0.207 245 Q C 2.244 178.366 176.000 0.202 0.000 0.996 245 Q CA 2.503 58.404 55.803 0.163 0.000 0.851 245 Q CB -0.611 28.222 28.738 0.159 0.000 0.921 245 Q HN 0.558 nan 8.270 nan 0.000 0.418 246 Y N 0.684 121.081 120.300 0.162 0.000 2.241 246 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 246 Y C 1.862 177.908 175.900 0.243 0.000 1.166 246 Y CA 1.267 59.486 58.100 0.198 0.000 1.203 246 Y CB -0.102 38.516 38.460 0.263 0.000 0.977 246 Y HN 0.108 nan 8.280 nan 0.000 0.529 247 L N 0.453 121.734 121.223 0.096 0.000 2.127 247 L HA 0.127 4.466 4.340 -0.001 0.000 0.203 247 L C 2.696 179.588 176.870 0.037 0.000 1.080 247 L CA 1.622 56.480 54.840 0.029 0.000 0.768 247 L CB -1.294 40.863 42.059 0.164 0.000 0.924 247 L HN 0.302 nan 8.230 nan 0.000 0.444 248 A N 0.626 123.453 122.820 0.013 0.000 1.916 248 A HA -0.299 4.021 4.320 -0.001 0.000 0.224 248 A C -0.008 177.547 177.584 -0.048 0.000 1.366 248 A CA 2.886 54.916 52.037 -0.012 0.000 0.692 248 A CB -2.382 16.615 19.000 -0.005 0.000 0.841 248 A HN 0.413 nan 8.150 nan 0.000 0.480 249 P HA -0.122 nan 4.420 nan 0.000 0.216 249 P C 1.070 178.247 177.300 -0.206 0.000 1.150 249 P CA 1.302 64.312 63.100 -0.150 0.000 0.837 249 P CB -0.199 31.217 31.700 -0.474 0.000 0.786 250 F N -0.028 119.865 119.950 -0.095 0.000 2.113 250 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 250 F C 2.531 178.307 175.800 -0.039 0.000 1.103 250 F CA 1.942 59.881 58.000 -0.101 0.000 1.248 250 F CB -2.243 36.638 39.000 -0.198 0.000 0.999 250 F HN -0.038 nan 8.300 nan 0.000 0.475 251 T N -1.346 113.291 114.554 0.139 0.000 2.720 251 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 251 T C 2.155 176.892 174.700 0.062 0.000 1.037 251 T CA 1.213 63.358 62.100 0.076 0.000 1.144 251 T CB -1.046 67.843 68.868 0.034 0.000 0.864 251 T HN 0.230 nan 8.240 nan 0.000 0.444 252 A N 2.119 124.967 122.820 0.047 0.000 1.902 252 A HA 0.340 4.659 4.320 -0.001 0.000 0.217 252 A C 2.883 180.503 177.584 0.061 0.000 1.181 252 A CA 1.929 53.984 52.037 0.031 0.000 0.623 252 A CB -1.470 17.519 19.000 -0.019 0.000 0.818 252 A HN 0.785 nan 8.150 nan 0.000 0.443 253 A N -0.055 122.825 122.820 0.101 0.000 1.986 253 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 253 A C 2.396 180.051 177.584 0.117 0.000 1.171 253 A CA 2.308 54.422 52.037 0.129 0.000 0.640 253 A CB -0.800 18.290 19.000 0.149 0.000 0.811 253 A HN 0.548 nan 8.150 nan 0.000 0.451 254 S N -0.136 115.629 115.700 0.108 0.000 2.371 254 S HA -0.030 4.439 4.470 -0.001 0.000 0.224 254 S C 1.772 176.445 174.600 0.122 0.000 1.029 254 S CA 1.169 59.430 58.200 0.103 0.000 0.978 254 S CB -0.508 62.741 63.200 0.082 0.000 0.833 254 S HN 0.529 nan 8.310 nan 0.000 0.466 255 I N 1.878 122.513 120.570 0.108 0.000 2.248 255 I HA -0.176 3.994 4.170 -0.001 0.000 0.248 255 I C 2.461 178.730 176.117 0.253 0.000 1.107 255 I CA 1.407 62.780 61.300 0.122 0.000 1.373 255 I CB -0.467 37.588 38.000 0.091 0.000 1.055 255 I HN 0.431 nan 8.210 nan 0.000 0.418 256 G N -0.924 108.037 108.800 0.268 0.000 2.838 256 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.210 256 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.210 256 G C 1.374 176.475 174.900 0.334 0.000 1.153 256 G CA -0.138 45.209 45.100 0.412 0.000 0.778 256 G HN 0.318 nan 8.290 nan 0.000 0.539 257 E N -0.475 119.853 120.200 0.212 0.000 2.204 257 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 257 E C 1.802 178.466 176.600 0.106 0.000 0.989 257 E CA 0.352 56.833 56.400 0.135 0.000 0.824 257 E CB -0.117 29.641 29.700 0.095 0.000 0.756 257 E HN 0.639 nan 8.360 nan 0.000 0.477 258 W N 0.286 121.552 121.300 -0.057 0.000 2.338 258 W HA -0.228 4.431 4.660 -0.001 0.000 0.304 258 W C 1.443 177.811 176.519 -0.252 0.000 1.212 258 W CA 1.506 58.724 57.345 -0.213 0.000 1.264 258 W CB -0.272 28.951 29.460 -0.394 0.000 1.142 258 W HN 0.003 nan 8.180 nan 0.000 0.512 259 F N 0.139 120.198 119.950 0.183 0.000 2.113 259 F HA -0.088 4.438 4.527 -0.001 0.000 0.297 259 F C 2.764 178.457 175.800 -0.179 0.000 1.103 259 F CA 2.157 60.171 58.000 0.023 0.000 1.248 259 F CB -1.245 37.832 39.000 0.129 0.000 0.999 259 F HN -0.221 nan 8.300 nan 0.000 0.475 260 R N 0.598 121.142 120.500 0.072 0.000 2.091 260 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 260 R C 1.572 177.783 176.300 -0.148 0.000 1.136 260 R CA 2.052 58.125 56.100 -0.045 0.000 0.959 260 R CB -0.460 29.849 30.300 0.015 0.000 0.856 260 R HN 0.174 nan 8.270 nan 0.000 0.437 261 D N 0.092 120.372 120.400 -0.201 0.000 2.219 261 D HA -0.078 4.562 4.640 -0.001 0.000 0.205 261 D C 0.651 176.742 176.300 -0.349 0.000 0.970 261 D CA 0.863 54.714 54.000 -0.248 0.000 0.851 261 D CB -0.113 40.537 40.800 -0.250 0.000 0.943 261 D HN 0.249 nan 8.370 nan 0.000 0.488 262 N N -0.452 117.938 118.700 -0.516 0.000 2.273 262 N HA 0.158 4.897 4.740 -0.001 0.000 0.231 262 N C 0.906 176.204 175.510 -0.355 0.000 1.134 262 N CA 0.358 53.058 53.050 -0.583 0.000 0.856 262 N CB 1.521 39.296 38.487 -1.187 0.000 1.068 262 N HN 0.154 nan 8.380 nan 0.000 0.510 263 G N 0.831 109.475 108.800 -0.261 0.000 2.175 263 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 263 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 263 G C 0.123 174.892 174.900 -0.219 0.000 0.982 263 G CA 0.076 45.060 45.100 -0.193 0.000 0.641 263 G HN 0.326 nan 8.290 nan 0.000 0.527 264 K N -0.242 120.038 120.400 -0.200 0.000 2.316 264 K HA 0.725 5.044 4.320 -0.001 0.000 0.234 264 K C -0.627 175.825 176.600 -0.246 0.000 1.054 264 K CA -1.018 55.217 56.287 -0.086 0.000 0.879 264 K CB 1.154 33.827 32.500 0.288 0.000 1.252 264 K HN 0.300 nan 8.250 nan 0.000 0.471 265 H N -0.242 118.948 119.070 0.200 0.000 2.589 265 H HA 0.454 5.009 4.556 -0.001 0.000 0.335 265 H C -0.867 174.529 175.328 0.113 0.000 1.019 265 H CA -0.707 55.407 56.048 0.109 0.000 1.213 265 H CB 1.866 31.632 29.762 0.006 0.000 1.472 265 H HN 0.699 nan 8.280 nan 0.000 0.508 266 A N 2.860 125.783 122.820 0.172 0.000 2.282 266 A HA 0.610 4.930 4.320 -0.001 0.000 0.324 266 A C -0.973 176.639 177.584 0.047 0.000 1.119 266 A CA -0.683 51.392 52.037 0.064 0.000 0.880 266 A CB 1.378 20.421 19.000 0.071 0.000 1.294 266 A HN 0.451 nan 8.150 nan 0.000 0.493 267 L N 0.755 121.983 121.223 0.008 0.000 2.446 267 L HA 0.634 4.974 4.340 -0.001 0.000 0.268 267 L C -1.178 175.658 176.870 -0.056 0.000 0.975 267 L CA -0.234 54.599 54.840 -0.012 0.000 0.848 267 L CB 1.199 43.255 42.059 -0.005 0.000 1.225 267 L HN 0.635 nan 8.230 nan 0.000 0.410 268 I N 5.614 126.115 120.570 -0.116 0.000 2.321 268 I HA 0.500 4.669 4.170 -0.001 0.000 0.291 268 I C -0.976 174.883 176.117 -0.429 0.000 0.998 268 I CA -0.534 60.585 61.300 -0.303 0.000 1.227 268 I CB 1.330 39.081 38.000 -0.415 0.000 1.368 268 I HN 0.422 nan 8.210 nan 0.000 0.466 269 V N 8.717 128.376 119.914 -0.426 0.000 2.333 269 V HA 0.211 4.330 4.120 -0.001 0.000 0.274 269 V C -0.834 174.905 176.094 -0.592 0.000 1.028 269 V CA -0.361 61.708 62.300 -0.384 0.000 0.851 269 V CB 0.571 32.279 31.823 -0.191 0.000 1.000 269 V HN 0.486 nan 8.190 nan 0.000 0.456 270 Y N 2.663 122.806 120.300 -0.261 0.000 2.650 270 Y HA 0.339 4.888 4.550 -0.001 0.000 0.343 270 Y C 0.586 176.313 175.900 -0.287 0.000 1.078 270 Y CA -0.673 57.252 58.100 -0.292 0.000 1.356 270 Y CB 0.429 38.730 38.460 -0.265 0.000 1.204 270 Y HN 0.518 nan 8.280 nan 0.000 0.508 271 D N 4.455 124.694 120.400 -0.269 0.000 2.505 271 D HA 0.124 4.763 4.640 -0.001 0.000 0.242 271 D C -1.038 175.207 176.300 -0.092 0.000 1.136 271 D CA -0.130 53.759 54.000 -0.185 0.000 0.954 271 D CB 0.088 40.736 40.800 -0.254 0.000 1.002 271 D HN 0.720 nan 8.370 nan 0.000 0.512 272 D N 1.571 121.945 120.400 -0.043 0.000 2.623 272 D HA 0.048 4.687 4.640 -0.001 0.000 0.241 272 D C 0.850 177.122 176.300 -0.045 0.000 1.241 272 D CA -0.577 53.394 54.000 -0.047 0.000 0.788 272 D CB 0.939 41.720 40.800 -0.031 0.000 1.413 272 D HN 0.091 nan 8.370 nan 0.000 0.429 273 L N 0.545 121.701 121.223 -0.112 0.000 2.141 273 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 273 L C 2.397 179.283 176.870 0.026 0.000 1.094 273 L CA 1.080 55.836 54.840 -0.139 0.000 0.763 273 L CB -0.620 41.114 42.059 -0.543 0.000 0.908 273 L HN 0.405 nan 8.230 nan 0.000 0.437 274 S N 0.444 116.152 115.700 0.013 0.000 2.392 274 S HA -0.258 4.212 4.470 -0.001 0.000 0.232 274 S C 1.917 176.595 174.600 0.130 0.000 1.041 274 S CA 1.638 59.885 58.200 0.079 0.000 1.026 274 S CB -0.237 62.998 63.200 0.058 0.000 0.845 274 S HN 0.434 nan 8.310 nan 0.000 0.465 275 K N 0.981 121.440 120.400 0.099 0.000 2.044 275 K HA -0.009 4.310 4.320 -0.001 0.000 0.204 275 K C 2.505 179.193 176.600 0.148 0.000 1.049 275 K CA 0.851 57.206 56.287 0.113 0.000 0.945 275 K CB -0.241 32.307 32.500 0.080 0.000 0.724 275 K HN 0.307 nan 8.250 nan 0.000 0.440 276 Q N 0.731 120.614 119.800 0.138 0.000 2.096 276 Q HA -0.264 4.075 4.340 -0.001 0.000 0.208 276 Q C 2.020 178.181 176.000 0.268 0.000 0.993 276 Q CA 2.109 58.019 55.803 0.178 0.000 0.862 276 Q CB -0.196 28.608 28.738 0.111 0.000 0.915 276 Q HN 0.374 nan 8.270 nan 0.000 0.416 277 A N -0.245 122.738 122.820 0.273 0.000 1.933 277 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 277 A C 2.209 180.031 177.584 0.397 0.000 1.175 277 A CA 1.466 53.706 52.037 0.338 0.000 0.628 277 A CB -0.624 18.523 19.000 0.244 0.000 0.814 277 A HN 0.317 nan 8.150 nan 0.000 0.444 278 V N -0.202 119.893 119.914 0.302 0.000 2.332 278 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 278 V C 3.000 179.166 176.094 0.119 0.000 1.055 278 V CA 2.094 64.502 62.300 0.179 0.000 1.038 278 V CB -1.199 30.702 31.823 0.130 0.000 0.651 278 V HN 0.622 nan 8.190 nan 0.000 0.450 279 A N -1.161 121.762 122.820 0.173 0.000 1.898 279 A HA -0.188 4.131 4.320 -0.001 0.000 0.214 279 A C 2.171 179.864 177.584 0.182 0.000 1.183 279 A CA 1.551 53.686 52.037 0.163 0.000 0.622 279 A CB -0.718 18.405 19.000 0.205 0.000 0.824 279 A HN 0.586 nan 8.150 nan 0.000 0.444 280 Y N 0.960 121.343 120.300 0.138 0.000 2.224 280 Y HA -0.218 4.331 4.550 -0.001 0.000 0.289 280 Y C 2.406 178.323 175.900 0.028 0.000 1.146 280 Y CA 1.892 60.041 58.100 0.081 0.000 1.182 280 Y CB -0.478 38.100 38.460 0.198 0.000 0.983 280 Y HN 0.373 nan 8.280 nan 0.000 0.524 281 R N 0.193 120.653 120.500 -0.067 0.000 2.105 281 R HA -0.244 4.095 4.340 -0.001 0.000 0.239 281 R C 2.395 178.576 176.300 -0.199 0.000 1.135 281 R CA 2.048 58.024 56.100 -0.206 0.000 0.967 281 R CB -0.413 29.738 30.300 -0.248 0.000 0.861 281 R HN 0.542 nan 8.270 nan 0.000 0.442 282 Q N 0.002 119.735 119.800 -0.111 0.000 2.083 282 Q HA -0.133 4.206 4.340 -0.001 0.000 0.198 282 Q C 2.021 177.959 176.000 -0.103 0.000 0.969 282 Q CA 1.187 56.939 55.803 -0.085 0.000 0.838 282 Q CB 0.059 28.780 28.738 -0.028 0.000 0.900 282 Q HN 0.281 nan 8.270 nan 0.000 0.436 283 L N 0.317 121.470 121.223 -0.117 0.000 1.997 283 L HA -0.256 4.083 4.340 -0.001 0.000 0.216 283 L C 2.475 179.244 176.870 -0.169 0.000 1.074 283 L CA 1.948 56.705 54.840 -0.139 0.000 0.763 283 L CB -1.123 40.824 42.059 -0.187 0.000 0.890 283 L HN 0.102 nan 8.230 nan 0.000 0.434 284 S N -0.813 114.729 115.700 -0.263 0.000 2.345 284 S HA -0.101 4.369 4.470 -0.001 0.000 0.220 284 S C 2.021 176.531 174.600 -0.150 0.000 1.031 284 S CA 1.070 59.127 58.200 -0.238 0.000 0.996 284 S CB -0.448 62.535 63.200 -0.361 0.000 0.882 284 S HN 0.307 nan 8.310 nan 0.000 0.445 285 L N 0.987 122.123 121.223 -0.145 0.000 2.081 285 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 285 L C 2.171 178.996 176.870 -0.075 0.000 1.080 285 L CA 1.165 55.945 54.840 -0.099 0.000 0.754 285 L CB -0.536 41.464 42.059 -0.098 0.000 0.893 285 L HN 0.305 nan 8.230 nan 0.000 0.433 286 L N -1.097 120.079 121.223 -0.077 0.000 2.179 286 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 286 L C 2.237 179.077 176.870 -0.051 0.000 1.096 286 L CA 0.591 55.396 54.840 -0.057 0.000 0.779 286 L CB -0.200 41.827 42.059 -0.053 0.000 0.922 286 L HN 0.223 nan 8.230 nan 0.000 0.443 287 L N -0.508 120.678 121.223 -0.063 0.000 2.551 287 L HA -0.024 4.315 4.340 -0.001 0.000 0.228 287 L C 1.001 177.847 176.870 -0.040 0.000 1.153 287 L CA 0.454 55.265 54.840 -0.049 0.000 0.851 287 L CB -0.172 41.852 42.059 -0.059 0.000 0.959 287 L HN 0.287 nan 8.230 nan 0.000 0.451 288 R N -0.829 119.643 120.500 -0.047 0.000 3.963 288 R HA -0.149 4.191 4.340 -0.001 0.000 0.394 288 R C -0.021 176.260 176.300 -0.033 0.000 1.131 288 R CA 0.387 56.466 56.100 -0.036 0.000 1.059 288 R CB -1.640 28.645 30.300 -0.024 0.000 1.614 288 R HN 0.394 nan 8.270 nan 0.000 0.546 289 R N 1.674 122.149 120.500 -0.042 0.000 2.522 289 R HA 0.112 4.451 4.340 -0.001 0.000 0.284 289 R C -2.115 174.167 176.300 -0.029 0.000 1.032 289 R CA -1.209 54.873 56.100 -0.031 0.000 1.049 289 R CB 0.089 30.366 30.300 -0.037 0.000 0.956 289 R HN -0.087 nan 8.270 nan 0.000 0.422 290 P HA 0.117 nan 4.420 nan 0.000 0.271 290 P C -2.311 174.990 177.300 0.001 0.000 1.218 290 P CA -1.051 62.045 63.100 -0.007 0.000 0.780 290 P CB 0.171 31.872 31.700 0.001 0.000 0.901 291 P HA 0.334 nan 4.420 nan 0.000 0.278 291 P C 0.292 177.622 177.300 0.050 0.000 1.258 291 P CA -0.323 62.786 63.100 0.015 0.000 0.811 291 P CB 0.897 32.595 31.700 -0.003 0.000 1.063 292 G N 0.358 109.219 108.800 0.102 0.000 2.882 292 G HA2 0.285 4.244 3.960 -0.001 0.000 0.164 292 G HA3 0.285 4.244 3.960 -0.001 0.000 0.164 292 G C -0.400 174.565 174.900 0.109 0.000 1.429 292 G CA -0.587 44.588 45.100 0.125 0.000 1.059 292 G HN 0.433 nan 8.290 nan 0.000 0.581 293 R N 0.549 121.096 120.500 0.079 0.000 2.539 293 R HA 0.165 4.504 4.340 -0.001 0.000 0.275 293 R C -0.014 176.426 176.300 0.233 0.000 1.077 293 R CA 0.121 56.215 56.100 -0.010 0.000 1.097 293 R CB 0.149 30.236 30.300 -0.355 0.000 1.018 293 R HN 0.698 nan 8.270 nan 0.000 0.483 294 E N 1.980 122.291 120.200 0.186 0.000 2.122 294 E HA -0.323 4.026 4.350 -0.001 0.000 0.198 294 E C 0.408 177.096 176.600 0.146 0.000 1.352 294 E CA 0.491 57.039 56.400 0.246 0.000 0.705 294 E CB -1.222 28.739 29.700 0.436 0.000 1.084 294 E HN 0.825 nan 8.360 nan 0.000 0.337 295 A N -1.663 121.195 122.820 0.064 0.000 3.408 295 A HA -0.338 3.982 4.320 -0.001 0.000 0.269 295 A C 0.262 177.795 177.584 -0.085 0.000 1.124 295 A CA 1.944 53.956 52.037 -0.041 0.000 0.999 295 A CB -1.917 17.016 19.000 -0.111 0.000 1.067 295 A HN 0.517 nan 8.150 nan 0.000 0.815 296 Y N -0.151 120.220 120.300 0.118 0.000 2.385 296 Y HA 0.400 4.949 4.550 -0.001 0.000 0.346 296 Y C -1.402 174.552 175.900 0.090 0.000 1.270 296 Y CA -1.099 57.074 58.100 0.122 0.000 1.472 296 Y CB 0.036 38.647 38.460 0.251 0.000 1.354 296 Y HN 0.172 nan 8.280 nan 0.000 0.611 297 P HA 0.082 nan 4.420 nan 0.000 0.274 297 P C 0.565 178.013 177.300 0.246 0.000 1.246 297 P CA 0.049 63.216 63.100 0.113 0.000 0.795 297 P CB 0.708 32.365 31.700 -0.070 0.000 1.006 298 G N 0.931 109.848 108.800 0.195 0.000 2.462 298 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.220 298 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.220 298 G C 0.389 175.448 174.900 0.264 0.000 1.121 298 G CA 0.710 45.935 45.100 0.209 0.000 0.758 298 G HN 0.638 nan 8.290 nan 0.000 0.559 299 D N -0.028 120.554 120.400 0.304 0.000 2.593 299 D HA 0.135 4.775 4.640 -0.001 0.000 0.241 299 D C 1.572 178.081 176.300 0.349 0.000 1.257 299 D CA -0.496 53.711 54.000 0.345 0.000 0.828 299 D CB 0.130 41.144 40.800 0.356 0.000 1.049 299 D HN 0.061 nan 8.370 nan 0.000 0.490 300 V N 0.069 120.171 119.914 0.313 0.000 2.546 300 V HA -0.226 3.893 4.120 -0.001 0.000 0.254 300 V C 1.736 177.806 176.094 -0.041 0.000 1.076 300 V CA 1.525 63.916 62.300 0.151 0.000 1.087 300 V CB -0.728 31.121 31.823 0.043 0.000 0.674 300 V HN 0.293 nan 8.190 nan 0.000 0.470 301 F N -0.029 119.904 119.950 -0.027 0.000 2.084 301 F HA -0.201 4.325 4.527 -0.001 0.000 0.296 301 F C 2.177 178.021 175.800 0.072 0.000 1.111 301 F CA 2.311 60.315 58.000 0.007 0.000 1.224 301 F CB -0.771 38.279 39.000 0.083 0.000 0.991 301 F HN 0.319 nan 8.300 nan 0.000 0.471 302 Y N 1.040 121.404 120.300 0.108 0.000 2.181 302 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 302 Y C 2.192 178.011 175.900 -0.135 0.000 1.179 302 Y CA 1.776 59.867 58.100 -0.015 0.000 1.179 302 Y CB -1.089 37.434 38.460 0.106 0.000 0.973 302 Y HN 0.288 nan 8.280 nan 0.000 0.519 303 L N -0.255 120.824 121.223 -0.240 0.000 1.997 303 L HA -0.307 4.032 4.340 -0.001 0.000 0.216 303 L C 2.254 178.938 176.870 -0.311 0.000 1.074 303 L CA 2.618 57.230 54.840 -0.380 0.000 0.763 303 L CB -0.850 40.910 42.059 -0.498 0.000 0.890 303 L HN 0.405 nan 8.230 nan 0.000 0.434 304 H N -1.983 116.886 119.070 -0.336 0.000 2.399 304 H HA -0.014 4.541 4.556 -0.001 0.000 0.300 304 H C 2.387 177.464 175.328 -0.418 0.000 1.048 304 H CA 0.761 56.574 56.048 -0.391 0.000 1.370 304 H CB 0.083 29.623 29.762 -0.369 0.000 1.428 304 H HN 0.533 nan 8.280 nan 0.000 0.534 305 S N 1.835 117.289 115.700 -0.410 0.000 2.365 305 S HA -0.275 4.195 4.470 -0.001 0.000 0.225 305 S C 2.082 176.558 174.600 -0.207 0.000 1.039 305 S CA 1.525 59.483 58.200 -0.404 0.000 1.033 305 S CB -0.359 62.468 63.200 -0.622 0.000 0.887 305 S HN 0.542 nan 8.310 nan 0.000 0.447 306 R N 0.821 121.187 120.500 -0.224 0.000 2.148 306 R HA 0.142 4.481 4.340 -0.001 0.000 0.223 306 R C 2.340 178.596 176.300 -0.072 0.000 1.088 306 R CA 1.112 57.124 56.100 -0.146 0.000 0.985 306 R CB -0.744 29.372 30.300 -0.308 0.000 0.880 306 R HN 0.490 nan 8.270 nan 0.000 0.451 307 L N 1.412 122.578 121.223 -0.095 0.000 2.007 307 L HA -0.010 4.329 4.340 -0.001 0.000 0.205 307 L C 2.219 178.992 176.870 -0.161 0.000 1.073 307 L CA 1.483 56.233 54.840 -0.150 0.000 0.744 307 L CB -0.349 41.433 42.059 -0.461 0.000 0.898 307 L HN 0.135 nan 8.230 nan 0.000 0.435 308 L N -0.294 120.803 121.223 -0.211 0.000 2.131 308 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 308 L C 2.519 179.352 176.870 -0.061 0.000 1.092 308 L CA 0.891 55.639 54.840 -0.153 0.000 0.759 308 L CB -0.665 41.284 42.059 -0.184 0.000 0.903 308 L HN 0.348 nan 8.230 nan 0.000 0.435 309 E N 0.209 120.378 120.200 -0.051 0.000 2.333 309 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 309 E C 2.156 178.762 176.600 0.010 0.000 1.007 309 E CA 0.700 57.094 56.400 -0.009 0.000 0.845 309 E CB -0.020 29.683 29.700 0.004 0.000 0.766 309 E HN 0.503 nan 8.360 nan 0.000 0.507 310 R N 0.517 121.024 120.500 0.011 0.000 2.235 310 R HA 0.045 4.384 4.340 -0.001 0.000 0.213 310 R C 0.921 177.249 176.300 0.047 0.000 1.059 310 R CA 0.407 56.528 56.100 0.035 0.000 0.997 310 R CB 0.026 30.355 30.300 0.049 0.000 0.884 310 R HN -0.069 nan 8.270 nan 0.000 0.462 311 A N 1.160 124.008 122.820 0.047 0.000 2.409 311 A HA 0.613 4.932 4.320 -0.001 0.000 0.262 311 A C -0.198 177.410 177.584 0.041 0.000 1.113 311 A CA 0.062 52.131 52.037 0.053 0.000 0.790 311 A CB 0.507 19.542 19.000 0.057 0.000 1.046 311 A HN 0.299 nan 8.150 nan 0.000 0.496 312 A N 2.160 125.006 122.820 0.044 0.000 2.586 312 A HA 0.683 5.003 4.320 -0.001 0.000 0.291 312 A C -0.888 176.725 177.584 0.049 0.000 1.062 312 A CA -0.662 51.398 52.037 0.040 0.000 0.666 312 A CB 0.917 19.935 19.000 0.031 0.000 1.281 312 A HN 1.069 nan 8.150 nan 0.000 0.421 313 K N 1.716 122.147 120.400 0.051 0.000 2.404 313 K HA 0.637 4.957 4.320 -0.001 0.000 0.257 313 K C -0.963 175.668 176.600 0.050 0.000 1.026 313 K CA -0.274 56.056 56.287 0.070 0.000 0.951 313 K CB -0.133 32.426 32.500 0.098 0.000 1.203 313 K HN 0.601 nan 8.250 nan 0.000 0.446 314 L N 2.600 123.842 121.223 0.031 0.000 2.482 314 L HA 0.110 4.449 4.340 -0.001 0.000 0.273 314 L C 0.690 177.568 176.870 0.013 0.000 1.228 314 L CA -0.224 54.621 54.840 0.009 0.000 0.827 314 L CB 0.454 42.502 42.059 -0.019 0.000 1.099 314 L HN 0.805 nan 8.230 nan 0.000 0.494 315 S N -0.113 115.586 115.700 -0.001 0.000 2.614 315 S HA 0.092 4.562 4.470 -0.001 0.000 0.265 315 S C 0.825 175.421 174.600 -0.007 0.000 1.303 315 S CA -0.701 57.495 58.200 -0.006 0.000 1.000 315 S CB 1.307 64.499 63.200 -0.013 0.000 0.935 315 S HN 0.687 nan 8.310 nan 0.000 0.551 316 E N 0.940 121.136 120.200 -0.007 0.000 2.108 316 E HA -0.268 4.081 4.350 -0.001 0.000 0.203 316 E C 1.930 178.521 176.600 -0.015 0.000 1.022 316 E CA 1.755 58.151 56.400 -0.006 0.000 0.823 316 E CB -0.166 29.530 29.700 -0.007 0.000 0.744 316 E HN 0.762 nan 8.360 nan 0.000 0.456 317 K N 0.283 120.673 120.400 -0.017 0.000 2.160 317 K HA -0.186 4.133 4.320 -0.001 0.000 0.206 317 K C 1.245 177.828 176.600 -0.027 0.000 1.047 317 K CA 1.330 57.605 56.287 -0.020 0.000 0.930 317 K CB 0.188 32.677 32.500 -0.018 0.000 0.720 317 K HN 0.032 nan 8.250 nan 0.000 0.450 318 E N -1.239 118.944 120.200 -0.030 0.000 2.463 318 E HA 0.072 4.421 4.350 -0.001 0.000 0.193 318 E C 0.737 177.302 176.600 -0.058 0.000 1.041 318 E CA 0.654 57.029 56.400 -0.042 0.000 0.879 318 E CB 1.254 30.932 29.700 -0.037 0.000 0.997 318 E HN 0.562 nan 8.360 nan 0.000 0.478 319 G N 0.817 109.587 108.800 -0.050 0.000 2.184 319 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.206 319 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.206 319 G C 0.632 175.497 174.900 -0.059 0.000 0.995 319 G CA 0.194 45.255 45.100 -0.065 0.000 0.651 319 G HN 0.084 nan 8.290 nan 0.000 0.511 320 S N -1.351 114.331 115.700 -0.029 0.000 3.143 320 S HA -0.194 4.275 4.470 -0.001 0.000 0.291 320 S C 1.673 176.251 174.600 -0.038 0.000 1.294 320 S CA 1.779 59.986 58.200 0.011 0.000 1.115 320 S CB -1.302 61.933 63.200 0.059 0.000 1.318 320 S HN 2.256 nan 8.310 nan 0.000 0.685 321 G N 1.588 110.302 108.800 -0.143 0.000 2.432 321 G HA2 0.424 4.383 3.960 -0.001 0.000 0.239 321 G HA3 0.424 4.383 3.960 -0.001 0.000 0.239 321 G C 0.023 174.846 174.900 -0.128 0.000 1.291 321 G CA 0.496 45.425 45.100 -0.285 0.000 0.863 321 G HN 0.920 nan 8.290 nan 0.000 0.560 322 S N 0.669 116.312 115.700 -0.095 0.000 2.607 322 S HA 0.732 5.201 4.470 -0.001 0.000 0.303 322 S C -0.937 173.721 174.600 0.098 0.000 1.086 322 S CA -0.893 57.382 58.200 0.124 0.000 0.995 322 S CB 1.985 65.382 63.200 0.327 0.000 1.084 322 S HN 0.869 nan 8.310 nan 0.000 0.507 323 L N 1.750 123.026 121.223 0.088 0.000 2.409 323 L HA 0.698 5.038 4.340 -0.001 0.000 0.272 323 L C -0.808 176.102 176.870 0.066 0.000 0.980 323 L CA 0.128 55.020 54.840 0.085 0.000 0.826 323 L CB 1.888 43.997 42.059 0.083 0.000 1.268 323 L HN 0.928 nan 8.230 nan 0.000 0.407 324 T N 4.133 118.717 114.554 0.050 0.000 2.829 324 T HA 0.859 5.208 4.350 -0.001 0.000 0.280 324 T C -0.598 174.111 174.700 0.015 0.000 0.999 324 T CA -0.323 61.794 62.100 0.027 0.000 0.983 324 T CB 1.540 70.412 68.868 0.006 0.000 0.968 324 T HN 0.809 nan 8.240 nan 0.000 0.446 325 A N 3.214 126.050 122.820 0.027 0.000 2.318 325 A HA 0.747 5.067 4.320 -0.001 0.000 0.317 325 A C -0.590 177.007 177.584 0.021 0.000 1.159 325 A CA -0.644 51.420 52.037 0.044 0.000 0.799 325 A CB 0.377 19.462 19.000 0.142 0.000 1.194 325 A HN 0.827 nan 8.150 nan 0.000 0.479 326 L N 5.145 126.361 121.223 -0.011 0.000 2.426 326 L HA 0.313 4.652 4.340 -0.001 0.000 0.255 326 L C -2.095 174.781 176.870 0.010 0.000 1.080 326 L CA -1.639 53.194 54.840 -0.013 0.000 0.960 326 L CB 1.226 43.268 42.059 -0.028 0.000 1.326 326 L HN 0.495 nan 8.230 nan 0.000 0.441 327 P HA 0.070 nan 4.420 nan 0.000 0.269 327 P C -0.477 176.792 177.300 -0.051 0.000 1.215 327 P CA -0.024 63.102 63.100 0.043 0.000 0.780 327 P CB 1.584 33.231 31.700 -0.088 0.000 0.898 328 V N 3.488 123.363 119.914 -0.066 0.000 2.667 328 V HA 0.491 4.610 4.120 -0.001 0.000 0.308 328 V C 0.380 176.413 176.094 -0.101 0.000 1.048 328 V CA -0.649 61.603 62.300 -0.079 0.000 0.928 328 V CB 1.887 33.679 31.823 -0.051 0.000 1.004 328 V HN 0.423 nan 8.190 nan 0.000 0.444 329 I N 2.471 122.982 120.570 -0.098 0.000 2.607 329 I HA 0.420 4.589 4.170 -0.001 0.000 0.290 329 I C -0.380 175.706 176.117 -0.051 0.000 1.129 329 I CA -0.393 60.855 61.300 -0.086 0.000 1.042 329 I CB 2.222 40.154 38.000 -0.113 0.000 1.242 329 I HN 0.775 nan 8.210 nan 0.000 0.421 330 E N 4.081 124.271 120.200 -0.017 0.000 2.156 330 E HA 0.452 4.801 4.350 -0.001 0.000 0.279 330 E C -0.262 176.357 176.600 0.031 0.000 0.965 330 E CA -0.362 56.043 56.400 0.009 0.000 0.789 330 E CB 1.298 31.011 29.700 0.021 0.000 1.098 330 E HN 0.717 nan 8.360 nan 0.000 0.397 331 T N 1.479 116.060 114.554 0.045 0.000 2.880 331 T HA 0.388 4.738 4.350 -0.001 0.000 0.279 331 T C -0.132 174.610 174.700 0.070 0.000 0.990 331 T CA -0.954 61.187 62.100 0.070 0.000 0.938 331 T CB 1.212 70.139 68.868 0.099 0.000 1.206 331 T HN 0.329 nan 8.240 nan 0.000 0.573 332 Q N -0.535 119.311 119.800 0.077 0.000 2.377 332 Q HA 0.505 4.845 4.340 -0.001 0.000 0.271 332 Q C 0.809 176.850 176.000 0.069 0.000 1.077 332 Q CA -0.427 55.417 55.803 0.069 0.000 0.820 332 Q CB 1.499 30.279 28.738 0.069 0.000 1.347 332 Q HN 1.287 nan 8.270 nan 0.000 0.444 333 G N 0.919 109.756 108.800 0.060 0.000 2.402 333 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.300 333 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.300 333 G C 0.926 175.863 174.900 0.061 0.000 0.987 333 G CA 1.234 46.367 45.100 0.056 0.000 0.881 333 G HN 1.386 nan 8.290 nan 0.000 0.512 334 G N -0.896 107.950 108.800 0.076 0.000 2.189 334 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 334 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 334 G C 0.349 175.306 174.900 0.094 0.000 0.975 334 G CA 1.126 46.280 45.100 0.089 0.000 0.644 334 G HN 1.512 nan 8.290 nan 0.000 0.537 335 D N 0.306 120.758 120.400 0.086 0.000 2.382 335 D HA 0.376 5.016 4.640 -0.001 0.000 0.259 335 D C 1.635 178.005 176.300 0.118 0.000 1.224 335 D CA 0.550 54.601 54.000 0.086 0.000 0.894 335 D CB 1.049 41.894 40.800 0.075 0.000 1.127 335 D HN 0.689 nan 8.370 nan 0.000 0.487 336 V N 1.093 121.088 119.914 0.135 0.000 3.621 336 V HA 0.142 4.261 4.120 -0.001 0.000 0.285 336 V C 1.023 177.202 176.094 0.142 0.000 1.346 336 V CA 0.468 62.881 62.300 0.188 0.000 1.104 336 V CB 0.116 32.126 31.823 0.311 0.000 0.913 336 V HN 0.398 nan 8.190 nan 0.000 0.432 337 S N 1.455 117.219 115.700 0.107 0.000 2.605 337 S HA 0.632 5.102 4.470 -0.001 0.000 0.217 337 S C 0.986 175.646 174.600 0.099 0.000 0.958 337 S CA 0.377 58.633 58.200 0.093 0.000 0.919 337 S CB 0.053 63.292 63.200 0.065 0.000 0.780 337 S HN 0.888 nan 8.310 nan 0.000 0.507 338 A N 0.969 123.857 122.820 0.113 0.000 2.304 338 A HA 0.523 4.842 4.320 -0.001 0.000 0.271 338 A C 0.896 178.586 177.584 0.178 0.000 1.091 338 A CA -0.507 51.609 52.037 0.132 0.000 0.812 338 A CB 0.031 19.107 19.000 0.126 0.000 1.056 338 A HN 0.194 nan 8.150 nan 0.000 0.489 339 Y N 1.412 121.722 120.300 0.015 0.000 1.938 339 Y HA -0.302 4.247 4.550 -0.001 0.000 0.253 339 Y C 2.018 177.897 175.900 -0.034 0.000 1.163 339 Y CA 2.626 60.712 58.100 -0.024 0.000 1.086 339 Y CB -0.468 37.940 38.460 -0.087 0.000 0.928 339 Y HN 0.530 nan 8.280 nan 0.000 0.493 340 I N 0.396 120.894 120.570 -0.120 0.000 2.142 340 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 340 I C -0.309 175.783 176.117 -0.041 0.000 1.078 340 I CA 1.495 62.661 61.300 -0.224 0.000 1.343 340 I CB -3.108 34.754 38.000 -0.229 0.000 1.046 340 I HN 0.195 nan 8.210 nan 0.000 0.405 341 P HA -0.129 nan 4.420 nan 0.000 0.214 341 P C 1.826 179.163 177.300 0.061 0.000 1.163 341 P CA 2.084 65.197 63.100 0.022 0.000 0.889 341 P CB -0.341 31.394 31.700 0.059 0.000 0.790 342 T N -0.259 114.359 114.554 0.105 0.000 2.620 342 T HA -0.244 4.105 4.350 -0.001 0.000 0.267 342 T C 1.634 176.421 174.700 0.146 0.000 1.044 342 T CA 1.932 64.111 62.100 0.131 0.000 1.161 342 T CB -1.220 67.740 68.868 0.153 0.000 0.862 342 T HN 0.133 nan 8.240 nan 0.000 0.438 343 N N 0.838 119.634 118.700 0.161 0.000 2.007 343 N HA -0.101 4.638 4.740 -0.001 0.000 0.197 343 N C 2.070 177.702 175.510 0.204 0.000 1.050 343 N CA 1.375 54.583 53.050 0.264 0.000 0.856 343 N CB -0.991 37.632 38.487 0.226 0.000 1.050 343 N HN 0.280 nan 8.380 nan 0.000 0.423 344 V N 1.732 121.685 119.914 0.066 0.000 2.407 344 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 344 V C 2.351 178.444 176.094 -0.001 0.000 1.055 344 V CA 1.044 63.327 62.300 -0.029 0.000 1.049 344 V CB -0.519 31.210 31.823 -0.156 0.000 0.662 344 V HN 0.246 nan 8.190 nan 0.000 0.455 345 I N 1.438 122.022 120.570 0.023 0.000 2.185 345 I HA -0.301 3.868 4.170 -0.001 0.000 0.246 345 I C 2.528 178.685 176.117 0.067 0.000 1.088 345 I CA 2.208 63.529 61.300 0.036 0.000 1.347 345 I CB -0.305 37.746 38.000 0.084 0.000 1.041 345 I HN 0.536 nan 8.210 nan 0.000 0.415 346 S N -0.140 115.623 115.700 0.106 0.000 2.528 346 S HA 0.119 4.588 4.470 -0.001 0.000 0.219 346 S C 1.717 176.398 174.600 0.136 0.000 0.985 346 S CA 0.010 58.284 58.200 0.123 0.000 0.914 346 S CB -0.300 62.988 63.200 0.146 0.000 0.776 346 S HN 0.424 nan 8.310 nan 0.000 0.526 347 I N 2.352 122.990 120.570 0.114 0.000 2.584 347 I HA 0.009 4.178 4.170 -0.001 0.000 0.255 347 I C 1.296 177.425 176.117 0.019 0.000 1.145 347 I CA 0.713 62.050 61.300 0.063 0.000 1.462 347 I CB -0.517 37.461 38.000 -0.037 0.000 1.102 347 I HN 0.402 nan 8.210 nan 0.000 0.433 348 T N -2.237 112.319 114.554 0.003 0.000 2.881 348 T HA 0.194 4.544 4.350 -0.001 0.000 0.278 348 T C 0.245 174.951 174.700 0.011 0.000 0.982 348 T CA -0.687 61.408 62.100 -0.009 0.000 0.989 348 T CB 1.242 70.089 68.868 -0.036 0.000 1.058 348 T HN -0.039 nan 8.240 nan 0.000 0.529 349 D N 0.819 121.224 120.400 0.008 0.000 2.676 349 D HA 0.409 5.048 4.640 -0.001 0.000 0.239 349 D C 0.937 177.247 176.300 0.018 0.000 1.213 349 D CA 0.462 54.473 54.000 0.018 0.000 0.835 349 D CB -0.481 40.329 40.800 0.017 0.000 1.009 349 D HN 1.001 nan 8.370 nan 0.000 0.479 350 G N 0.640 109.449 108.800 0.016 0.000 2.357 350 G HA2 0.140 4.100 3.960 -0.001 0.000 0.643 350 G HA3 0.140 4.100 3.960 -0.001 0.000 0.643 350 G C -1.560 173.337 174.900 -0.004 0.000 1.358 350 G CA -1.074 44.039 45.100 0.023 0.000 0.986 350 G HN 0.104 nan 8.290 nan 0.000 0.620 351 Q N -1.139 118.664 119.800 0.004 0.000 2.456 351 Q HA 0.824 5.164 4.340 -0.001 0.000 0.283 351 Q C -0.590 175.387 176.000 -0.038 0.000 1.084 351 Q CA -0.781 54.974 55.803 -0.080 0.000 0.801 351 Q CB 2.286 30.893 28.738 -0.220 0.000 1.434 351 Q HN 0.694 nan 8.270 nan 0.000 0.419 352 I N 1.530 122.037 120.570 -0.105 0.000 2.382 352 I HA 0.374 4.543 4.170 -0.001 0.000 0.285 352 I C -1.108 174.954 176.117 -0.091 0.000 1.007 352 I CA -0.443 60.841 61.300 -0.026 0.000 1.142 352 I CB 0.723 38.716 38.000 -0.012 0.000 1.289 352 I HN 0.475 nan 8.210 nan 0.000 0.453 353 F N 6.758 126.724 119.950 0.027 0.000 2.411 353 F HA 0.437 4.964 4.527 -0.001 0.000 0.355 353 F C 0.078 175.899 175.800 0.034 0.000 1.117 353 F CA -0.291 57.726 58.000 0.029 0.000 1.139 353 F CB 0.841 39.860 39.000 0.031 0.000 1.120 353 F HN 0.166 nan 8.300 nan 0.000 0.493 354 L N 4.102 125.434 121.223 0.182 0.000 2.322 354 L HA 0.528 4.868 4.340 -0.001 0.000 0.279 354 L C -0.416 176.552 176.870 0.162 0.000 1.036 354 L CA -0.670 54.257 54.840 0.145 0.000 0.807 354 L CB 1.465 43.573 42.059 0.082 0.000 1.226 354 L HN 0.533 nan 8.230 nan 0.000 0.433 355 E N 0.648 120.936 120.200 0.146 0.000 2.272 355 E HA 0.368 4.717 4.350 -0.001 0.000 0.269 355 E C 0.054 176.735 176.600 0.136 0.000 0.877 355 E CA -0.540 55.940 56.400 0.134 0.000 0.755 355 E CB 2.372 32.145 29.700 0.123 0.000 1.192 355 E HN 0.719 nan 8.360 nan 0.000 0.422 356 A N 2.660 125.553 122.820 0.123 0.000 1.902 356 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 356 A C 1.885 179.636 177.584 0.278 0.000 1.181 356 A CA 1.614 53.746 52.037 0.159 0.000 0.623 356 A CB -0.242 18.870 19.000 0.188 0.000 0.818 356 A HN 0.762 nan 8.150 nan 0.000 0.443 357 E N -0.122 120.210 120.200 0.221 0.000 2.051 357 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 357 E C 2.021 178.738 176.600 0.194 0.000 0.991 357 E CA 1.219 57.746 56.400 0.212 0.000 0.799 357 E CB -0.216 29.562 29.700 0.130 0.000 0.748 357 E HN 0.642 nan 8.360 nan 0.000 0.449 358 L N 0.086 121.400 121.223 0.151 0.000 1.989 358 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 358 L C 2.506 179.433 176.870 0.095 0.000 1.071 358 L CA 1.424 56.332 54.840 0.113 0.000 0.749 358 L CB -0.600 41.521 42.059 0.104 0.000 0.890 358 L HN 0.205 nan 8.230 nan 0.000 0.431 359 F N 0.138 120.053 119.950 -0.059 0.000 2.015 359 F HA -0.365 4.161 4.527 -0.001 0.000 0.297 359 F C 2.391 178.068 175.800 -0.204 0.000 1.141 359 F CA 1.987 59.867 58.000 -0.201 0.000 1.192 359 F CB -0.576 38.184 39.000 -0.400 0.000 0.957 359 F HN -0.040 nan 8.300 nan 0.000 0.491 360 Y N 0.673 121.155 120.300 0.303 0.000 2.569 360 Y HA -0.168 4.382 4.550 -0.001 0.000 0.293 360 Y C 2.017 177.955 175.900 0.063 0.000 1.144 360 Y CA 1.482 59.693 58.100 0.184 0.000 1.321 360 Y CB -0.822 37.746 38.460 0.180 0.000 0.982 360 Y HN 0.244 nan 8.280 nan 0.000 0.558 361 K N -1.193 119.292 120.400 0.141 0.000 2.372 361 K HA 0.469 4.789 4.320 -0.001 0.000 0.200 361 K C 1.067 177.673 176.600 0.009 0.000 1.022 361 K CA 0.670 57.005 56.287 0.079 0.000 1.125 361 K CB 0.504 33.054 32.500 0.084 0.000 0.855 361 K HN 0.160 nan 8.250 nan 0.000 0.524 362 G N 1.645 110.402 108.800 -0.071 0.000 2.154 362 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.186 362 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.186 362 G C -0.170 174.644 174.900 -0.142 0.000 1.000 362 G CA -0.444 44.576 45.100 -0.133 0.000 0.664 362 G HN 0.259 nan 8.290 nan 0.000 0.513 363 I N 1.656 122.154 120.570 -0.120 0.000 2.301 363 I HA 0.497 4.666 4.170 -0.001 0.000 0.292 363 I C 0.498 176.522 176.117 -0.155 0.000 1.046 363 I CA -0.331 60.918 61.300 -0.086 0.000 1.282 363 I CB 0.782 38.778 38.000 -0.006 0.000 1.409 363 I HN 0.026 nan 8.210 nan 0.000 0.484 364 R N 7.296 127.696 120.500 -0.167 0.000 2.518 364 R HA 0.348 4.687 4.340 -0.001 0.000 0.296 364 R C -2.763 173.484 176.300 -0.088 0.000 1.080 364 R CA -1.847 54.140 56.100 -0.188 0.000 0.922 364 R CB 1.655 31.728 30.300 -0.380 0.000 1.184 364 R HN 0.265 nan 8.270 nan 0.000 0.445 365 P HA -0.089 nan 4.420 nan 0.000 0.263 365 P C -0.043 177.277 177.300 0.032 0.000 1.175 365 P CA 0.174 63.281 63.100 0.012 0.000 0.761 365 P CB 0.720 32.430 31.700 0.017 0.000 0.794 366 A N 4.780 127.658 122.820 0.096 0.000 2.840 366 A HA 0.176 4.496 4.320 -0.001 0.000 0.269 366 A C 0.924 178.573 177.584 0.109 0.000 1.439 366 A CA -0.459 51.646 52.037 0.114 0.000 1.083 366 A CB -1.264 17.870 19.000 0.223 0.000 1.019 366 A HN 0.500 nan 8.150 nan 0.000 0.607 367 I N 0.715 121.336 120.570 0.087 0.000 2.815 367 I HA -0.076 4.094 4.170 -0.001 0.000 0.291 367 I C 0.591 176.773 176.117 0.109 0.000 1.209 367 I CA 0.076 61.434 61.300 0.097 0.000 1.431 367 I CB 0.353 38.398 38.000 0.076 0.000 1.351 367 I HN 0.331 nan 8.210 nan 0.000 0.585 368 N N 5.957 124.741 118.700 0.140 0.000 2.589 368 N HA 0.163 4.902 4.740 -0.001 0.000 0.232 368 N C 0.555 176.134 175.510 0.115 0.000 1.015 368 N CA -0.285 52.837 53.050 0.120 0.000 0.931 368 N CB 1.294 39.852 38.487 0.119 0.000 1.150 368 N HN 0.404 nan 8.380 nan 0.000 0.512 369 V N 3.270 123.241 119.914 0.095 0.000 2.282 369 V HA -0.208 3.911 4.120 -0.001 0.000 0.249 369 V C 2.419 178.559 176.094 0.077 0.000 1.057 369 V CA 2.360 64.714 62.300 0.090 0.000 1.032 369 V CB -1.120 30.758 31.823 0.093 0.000 0.645 369 V HN 0.732 nan 8.190 nan 0.000 0.447 370 G N -0.295 108.539 108.800 0.057 0.000 2.513 370 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.219 370 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.219 370 G C 1.513 176.424 174.900 0.018 0.000 1.160 370 G CA 1.481 46.597 45.100 0.027 0.000 0.767 370 G HN 0.515 nan 8.290 nan 0.000 0.571 371 L N 0.283 121.518 121.223 0.020 0.000 2.556 371 L HA 0.224 4.563 4.340 -0.001 0.000 0.226 371 L C 0.814 177.810 176.870 0.210 0.000 1.089 371 L CA -0.196 54.654 54.840 0.017 0.000 0.864 371 L CB 0.347 42.236 42.059 -0.284 0.000 1.067 371 L HN -0.006 nan 8.230 nan 0.000 0.477 372 S N 0.894 116.723 115.700 0.215 0.000 2.548 372 S HA 0.418 4.887 4.470 -0.001 0.000 0.277 372 S C -0.147 174.532 174.600 0.131 0.000 1.315 372 S CA -0.482 57.842 58.200 0.207 0.000 1.050 372 S CB 1.417 64.710 63.200 0.155 0.000 0.918 372 S HN 0.110 nan 8.310 nan 0.000 0.497 373 V N 0.181 120.163 119.914 0.112 0.000 3.007 373 V HA 0.894 5.014 4.120 -0.001 0.000 0.311 373 V C -0.388 175.739 176.094 0.054 0.000 1.120 373 V CA -0.912 61.434 62.300 0.077 0.000 0.980 373 V CB 1.945 33.814 31.823 0.076 0.000 1.033 373 V HN 0.704 nan 8.190 nan 0.000 0.429 374 S N 2.241 117.967 115.700 0.043 0.000 2.498 374 S HA 0.511 4.981 4.470 -0.001 0.000 0.317 374 S C 0.685 175.304 174.600 0.031 0.000 1.090 374 S CA -0.783 57.435 58.200 0.031 0.000 1.089 374 S CB 1.511 64.724 63.200 0.023 0.000 0.997 374 S HN 0.832 nan 8.310 nan 0.000 0.470 375 R N 3.101 123.620 120.500 0.030 0.000 2.193 375 R HA 0.013 4.352 4.340 -0.001 0.000 0.213 375 R C 1.679 177.995 176.300 0.027 0.000 1.055 375 R CA 0.843 56.962 56.100 0.031 0.000 0.995 375 R CB -0.423 29.897 30.300 0.033 0.000 0.893 375 R HN 0.562 nan 8.270 nan 0.000 0.459 376 V N 0.582 120.510 119.914 0.023 0.000 2.358 376 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 376 V C 1.718 177.825 176.094 0.022 0.000 1.047 376 V CA 1.859 64.172 62.300 0.022 0.000 1.035 376 V CB -0.915 30.919 31.823 0.018 0.000 0.658 376 V HN 0.703 nan 8.190 nan 0.000 0.452 377 G N 0.493 109.306 108.800 0.021 0.000 2.531 377 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.274 377 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.274 377 G C 1.109 176.019 174.900 0.018 0.000 1.159 377 G CA 1.192 46.305 45.100 0.022 0.000 0.969 377 G HN 1.043 nan 8.290 nan 0.000 0.554 378 S N 0.655 116.367 115.700 0.020 0.000 2.474 378 S HA 0.251 4.720 4.470 -0.001 0.000 0.235 378 S C 2.596 177.204 174.600 0.014 0.000 0.997 378 S CA 1.805 60.015 58.200 0.017 0.000 0.949 378 S CB -0.450 62.762 63.200 0.020 0.000 0.766 378 S HN 2.149 nan 8.310 nan 0.000 0.517 379 A N 1.271 124.102 122.820 0.019 0.000 2.084 379 A HA 0.287 4.606 4.320 -0.001 0.000 0.221 379 A C 2.133 179.726 177.584 0.016 0.000 1.161 379 A CA 1.571 53.624 52.037 0.026 0.000 0.653 379 A CB -0.855 18.165 19.000 0.034 0.000 0.802 379 A HN 1.073 nan 8.150 nan 0.000 0.457 380 A N -1.933 120.885 122.820 -0.003 0.000 2.508 380 A HA 0.387 4.706 4.320 -0.001 0.000 0.250 380 A C 0.724 178.282 177.584 -0.043 0.000 1.208 380 A CA -0.044 51.973 52.037 -0.033 0.000 0.960 380 A CB -0.014 18.966 19.000 -0.032 0.000 1.099 380 A HN 0.528 nan 8.150 nan 0.000 0.542 381 Q N -0.054 119.733 119.800 -0.022 0.000 2.312 381 Q HA 0.465 4.804 4.340 -0.001 0.000 0.236 381 Q C -0.569 175.415 176.000 -0.026 0.000 0.965 381 Q CA -0.171 55.621 55.803 -0.018 0.000 0.894 381 Q CB 1.203 29.942 28.738 0.001 0.000 1.225 381 Q HN 0.167 nan 8.270 nan 0.000 0.478 382 V N 3.772 123.672 119.914 -0.022 0.000 2.686 382 V HA -0.026 4.093 4.120 -0.001 0.000 0.295 382 V C 1.096 177.186 176.094 -0.007 0.000 1.055 382 V CA 0.076 62.362 62.300 -0.022 0.000 1.050 382 V CB 1.315 33.130 31.823 -0.013 0.000 0.984 382 V HN 0.844 nan 8.190 nan 0.000 0.482 383 K N 3.288 123.683 120.400 -0.008 0.000 2.103 383 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 383 K C 2.021 178.625 176.600 0.007 0.000 1.048 383 K CA 1.597 57.885 56.287 0.001 0.000 0.930 383 K CB -0.355 32.145 32.500 -0.000 0.000 0.716 383 K HN 0.810 nan 8.250 nan 0.000 0.444 384 A N 1.406 124.229 122.820 0.005 0.000 1.877 384 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 384 A C 2.155 179.753 177.584 0.023 0.000 1.186 384 A CA 1.093 53.136 52.037 0.009 0.000 0.620 384 A CB -0.539 18.461 19.000 -0.001 0.000 0.822 384 A HN 0.179 nan 8.150 nan 0.000 0.443 385 L N 0.164 121.401 121.223 0.022 0.000 2.017 385 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 385 L C 2.305 179.194 176.870 0.032 0.000 1.073 385 L CA 2.512 57.371 54.840 0.031 0.000 0.745 385 L CB -0.845 41.229 42.059 0.025 0.000 0.894 385 L HN 0.518 nan 8.230 nan 0.000 0.432 386 K N -0.899 119.516 120.400 0.024 0.000 2.020 386 K HA -0.267 4.053 4.320 -0.001 0.000 0.212 386 K C 2.058 178.678 176.600 0.032 0.000 1.050 386 K CA 2.127 58.429 56.287 0.025 0.000 0.929 386 K CB -0.151 32.360 32.500 0.019 0.000 0.714 386 K HN 0.495 nan 8.250 nan 0.000 0.443 387 Q N -0.117 119.704 119.800 0.035 0.000 2.061 387 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 387 Q C 2.048 178.086 176.000 0.063 0.000 0.984 387 Q CA 2.061 57.890 55.803 0.044 0.000 0.846 387 Q CB -0.045 28.717 28.738 0.041 0.000 0.902 387 Q HN 0.413 nan 8.270 nan 0.000 0.421 388 V N -3.484 116.478 119.914 0.080 0.000 3.406 388 V HA 0.264 4.383 4.120 -0.001 0.000 0.263 388 V C 1.516 177.642 176.094 0.054 0.000 1.172 388 V CA 0.951 63.316 62.300 0.108 0.000 1.140 388 V CB -0.114 31.820 31.823 0.185 0.000 0.784 388 V HN 0.199 nan 8.190 nan 0.000 0.467 389 A N 1.039 123.883 122.820 0.040 0.000 2.307 389 A HA 0.541 4.860 4.320 -0.001 0.000 0.218 389 A C 1.498 179.094 177.584 0.020 0.000 1.228 389 A CA 0.430 52.481 52.037 0.023 0.000 0.857 389 A CB -0.919 18.098 19.000 0.029 0.000 0.897 389 A HN 0.738 nan 8.150 nan 0.000 0.495 390 G N -0.445 108.369 108.800 0.023 0.000 2.138 390 G HA2 0.348 4.307 3.960 -0.001 0.000 0.256 390 G HA3 0.348 4.307 3.960 -0.001 0.000 0.256 390 G C 0.765 175.678 174.900 0.022 0.000 1.141 390 G CA 0.693 45.808 45.100 0.025 0.000 0.967 390 G HN 0.878 nan 8.290 nan 0.000 0.435 391 S N 0.690 116.414 115.700 0.040 0.000 2.857 391 S HA -0.262 4.207 4.470 -0.001 0.000 0.268 391 S C 1.621 176.279 174.600 0.097 0.000 1.297 391 S CA 0.859 59.099 58.200 0.067 0.000 1.280 391 S CB -1.427 61.817 63.200 0.074 0.000 1.562 391 S HN 0.935 nan 8.310 nan 0.000 0.661 392 L N 2.184 123.441 121.223 0.056 0.000 2.013 392 L HA -0.035 4.304 4.340 -0.001 0.000 0.212 392 L C 2.124 179.082 176.870 0.146 0.000 1.073 392 L CA 2.814 57.690 54.840 0.060 0.000 0.753 392 L CB -0.489 41.576 42.059 0.009 0.000 0.890 392 L HN 0.414 nan 8.230 nan 0.000 0.432 393 K N -0.910 119.555 120.400 0.109 0.000 2.057 393 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 393 K C 2.200 178.873 176.600 0.122 0.000 1.049 393 K CA 1.538 57.891 56.287 0.109 0.000 0.931 393 K CB -0.207 32.340 32.500 0.079 0.000 0.714 393 K HN 0.413 nan 8.250 nan 0.000 0.440 394 L N 0.200 121.494 121.223 0.118 0.000 2.056 394 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 394 L C 2.304 179.249 176.870 0.125 0.000 1.078 394 L CA 1.276 56.177 54.840 0.101 0.000 0.749 394 L CB -0.352 41.759 42.059 0.087 0.000 0.901 394 L HN 0.250 nan 8.230 nan 0.000 0.433 395 F N 0.450 120.421 119.950 0.035 0.000 2.134 395 F HA -0.260 4.266 4.527 -0.001 0.000 0.299 395 F C 2.230 178.077 175.800 0.078 0.000 1.097 395 F CA 1.471 59.496 58.000 0.041 0.000 1.264 395 F CB -0.092 38.920 39.000 0.019 0.000 1.001 395 F HN -0.082 nan 8.300 nan 0.000 0.479 396 L N -0.168 121.270 121.223 0.358 0.000 2.265 396 L HA -0.185 4.154 4.340 -0.001 0.000 0.215 396 L C 2.640 179.611 176.870 0.168 0.000 1.117 396 L CA 0.862 55.881 54.840 0.298 0.000 0.782 396 L CB -0.826 41.381 42.059 0.247 0.000 0.914 396 L HN 0.329 nan 8.230 nan 0.000 0.441 397 A N -0.434 122.433 122.820 0.078 0.000 1.854 397 A HA -0.207 4.112 4.320 -0.001 0.000 0.214 397 A C 2.147 179.702 177.584 -0.047 0.000 1.192 397 A CA 1.099 53.149 52.037 0.021 0.000 0.611 397 A CB -0.427 18.584 19.000 0.019 0.000 0.832 397 A HN 0.428 nan 8.150 nan 0.000 0.442 398 Q N -1.663 118.072 119.800 -0.108 0.000 2.197 398 Q HA -0.270 4.070 4.340 -0.001 0.000 0.207 398 Q C 1.953 177.835 176.000 -0.196 0.000 0.984 398 Q CA 1.981 57.675 55.803 -0.181 0.000 0.869 398 Q CB -0.496 28.079 28.738 -0.272 0.000 0.906 398 Q HN 0.842 nan 8.270 nan 0.000 0.426 399 Y N 1.478 121.569 120.300 -0.348 0.000 2.145 399 Y HA -0.175 4.375 4.550 -0.001 0.000 0.286 399 Y C 2.060 177.900 175.900 -0.099 0.000 1.145 399 Y CA 1.508 59.459 58.100 -0.248 0.000 1.148 399 Y CB -0.089 38.269 38.460 -0.170 0.000 0.981 399 Y HN -0.113 nan 8.280 nan 0.000 0.507 400 R N 0.083 120.415 120.500 -0.280 0.000 2.096 400 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 400 R C 2.199 178.369 176.300 -0.217 0.000 1.127 400 R CA 1.481 57.398 56.100 -0.306 0.000 0.968 400 R CB -0.335 29.893 30.300 -0.120 0.000 0.861 400 R HN 0.477 nan 8.270 nan 0.000 0.440 401 E N 0.817 120.928 120.200 -0.149 0.000 2.021 401 E HA -0.194 4.155 4.350 -0.001 0.000 0.200 401 E C 1.768 178.324 176.600 -0.073 0.000 1.015 401 E CA 1.914 58.255 56.400 -0.099 0.000 0.824 401 E CB -0.313 29.330 29.700 -0.096 0.000 0.762 401 E HN 0.035 nan 8.360 nan 0.000 0.454 402 V N 0.799 120.658 119.914 -0.091 0.000 2.490 402 V HA -0.211 3.908 4.120 -0.001 0.000 0.250 402 V C 2.357 178.446 176.094 -0.008 0.000 1.061 402 V CA 1.759 64.060 62.300 0.002 0.000 1.064 402 V CB -0.795 31.028 31.823 0.000 0.000 0.670 402 V HN 0.537 nan 8.190 nan 0.000 0.461 403 A N -0.427 122.279 122.820 -0.191 0.000 2.066 403 A HA 0.083 4.403 4.320 -0.001 0.000 0.218 403 A C 2.340 179.852 177.584 -0.121 0.000 1.157 403 A CA 1.551 53.456 52.037 -0.219 0.000 0.670 403 A CB -0.403 18.309 19.000 -0.480 0.000 0.804 403 A HN 0.533 nan 8.150 nan 0.000 0.453 404 A N -1.097 121.676 122.820 -0.078 0.000 1.898 404 A HA 0.068 4.387 4.320 -0.001 0.000 0.214 404 A C 1.920 179.522 177.584 0.030 0.000 1.183 404 A CA 1.295 53.315 52.037 -0.028 0.000 0.622 404 A CB -0.640 18.348 19.000 -0.020 0.000 0.824 404 A HN 0.664 nan 8.150 nan 0.000 0.444 405 F N 1.246 121.149 119.950 -0.078 0.000 2.365 405 F HA 0.040 4.567 4.527 -0.001 0.000 0.300 405 F C 2.254 178.024 175.800 -0.050 0.000 1.090 405 F CA 0.701 58.666 58.000 -0.058 0.000 1.408 405 F CB -0.226 38.741 39.000 -0.056 0.000 1.060 405 F HN 0.227 nan 8.300 nan 0.000 0.534 406 A N -0.081 122.649 122.820 -0.150 0.000 2.015 406 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 406 A C 2.030 179.489 177.584 -0.207 0.000 1.163 406 A CA 1.264 53.176 52.037 -0.209 0.000 0.646 406 A CB -0.561 18.383 19.000 -0.093 0.000 0.806 406 A HN 0.436 nan 8.150 nan 0.000 0.448 407 Q N -1.364 118.343 119.800 -0.155 0.000 2.291 407 Q HA -0.148 4.191 4.340 -0.001 0.000 0.206 407 Q C 1.940 177.856 176.000 -0.140 0.000 0.976 407 Q CA 1.644 57.377 55.803 -0.117 0.000 0.875 407 Q CB -1.318 27.375 28.738 -0.074 0.000 0.927 407 Q HN 0.862 nan 8.270 nan 0.000 0.450 408 F N 0.400 120.217 119.950 -0.222 0.000 2.546 408 F HA 0.189 4.715 4.527 -0.001 0.000 0.298 408 F C 1.944 177.618 175.800 -0.210 0.000 1.120 408 F CA 0.793 58.656 58.000 -0.228 0.000 1.456 408 F CB -1.140 37.652 39.000 -0.346 0.000 1.088 408 F HN 0.298 nan 8.300 nan 0.000 0.572 409 G N -0.343 108.329 108.800 -0.212 0.000 2.352 409 G HA2 0.083 4.042 3.960 -0.001 0.000 0.295 409 G HA3 0.083 4.042 3.960 -0.001 0.000 0.295 409 G C 0.436 175.247 174.900 -0.149 0.000 0.991 409 G CA 0.961 45.968 45.100 -0.155 0.000 0.796 409 G HN 1.994 nan 8.290 nan 0.000 0.511 410 S N 0.602 116.175 115.700 -0.213 0.000 2.537 410 S HA 0.534 5.003 4.470 -0.001 0.000 0.275 410 S C 0.577 175.098 174.600 -0.132 0.000 1.272 410 S CA 0.086 58.193 58.200 -0.155 0.000 1.050 410 S CB 0.506 63.613 63.200 -0.154 0.000 0.961 410 S HN 0.799 nan 8.310 nan 0.000 0.496 411 D N 1.875 122.239 120.400 -0.060 0.000 2.730 411 D HA -0.038 4.601 4.640 -0.001 0.000 0.225 411 D C -0.335 175.968 176.300 0.005 0.000 1.107 411 D CA 0.401 54.386 54.000 -0.024 0.000 0.837 411 D CB -0.022 40.775 40.800 -0.004 0.000 1.171 411 D HN 0.421 nan 8.370 nan 0.000 0.498 412 L N 1.343 122.575 121.223 0.016 0.000 2.379 412 L HA 0.289 4.628 4.340 -0.001 0.000 0.269 412 L C 0.883 177.787 176.870 0.056 0.000 1.084 412 L CA -0.982 53.895 54.840 0.061 0.000 0.802 412 L CB 1.018 43.110 42.059 0.054 0.000 1.175 412 L HN 0.544 nan 8.230 nan 0.000 0.448 413 D N 0.646 121.088 120.400 0.071 0.000 2.466 413 D HA 0.362 5.001 4.640 -0.001 0.000 0.262 413 D C 0.721 177.046 176.300 0.040 0.000 1.177 413 D CA -0.430 53.599 54.000 0.048 0.000 1.035 413 D CB 1.057 41.883 40.800 0.044 0.000 1.105 413 D HN 0.497 nan 8.370 nan 0.000 0.551 414 A N -0.362 122.476 122.820 0.028 0.000 2.172 414 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 414 A C 2.019 179.619 177.584 0.027 0.000 1.154 414 A CA 1.339 53.391 52.037 0.024 0.000 0.701 414 A CB -0.883 18.127 19.000 0.015 0.000 0.789 414 A HN 0.437 nan 8.150 nan 0.000 0.465 415 S N -0.578 115.140 115.700 0.029 0.000 2.387 415 S HA -0.101 4.369 4.470 -0.001 0.000 0.221 415 S C 2.181 176.805 174.600 0.040 0.000 1.041 415 S CA 1.834 60.051 58.200 0.028 0.000 0.959 415 S CB -0.511 62.698 63.200 0.015 0.000 0.843 415 S HN 0.720 nan 8.310 nan 0.000 0.488 416 T N 0.570 115.154 114.554 0.050 0.000 2.770 416 T HA 0.029 4.378 4.350 -0.001 0.000 0.263 416 T C 1.889 176.638 174.700 0.081 0.000 1.039 416 T CA 1.270 63.412 62.100 0.070 0.000 1.142 416 T CB -0.499 68.439 68.868 0.116 0.000 0.868 416 T HN 0.416 nan 8.240 nan 0.000 0.435 417 K N 1.046 121.488 120.400 0.070 0.000 2.063 417 K HA -0.273 4.047 4.320 -0.001 0.000 0.208 417 K C 2.571 179.210 176.600 0.065 0.000 1.048 417 K CA 1.751 58.075 56.287 0.063 0.000 0.928 417 K CB -0.223 32.303 32.500 0.043 0.000 0.713 417 K HN 0.342 nan 8.250 nan 0.000 0.442 418 Q N 0.758 120.593 119.800 0.058 0.000 2.014 418 Q HA -0.175 4.164 4.340 -0.001 0.000 0.207 418 Q C 1.891 177.950 176.000 0.099 0.000 0.993 418 Q CA 3.134 58.972 55.803 0.059 0.000 0.850 418 Q CB -0.821 27.947 28.738 0.049 0.000 0.916 418 Q HN 0.495 nan 8.270 nan 0.000 0.417 419 T N -1.710 112.917 114.554 0.123 0.000 2.995 419 T HA -0.056 4.293 4.350 -0.001 0.000 0.269 419 T C 1.724 176.560 174.700 0.226 0.000 1.091 419 T CA 0.881 63.095 62.100 0.190 0.000 1.128 419 T CB -0.268 68.637 68.868 0.061 0.000 0.891 419 T HN 0.218 nan 8.240 nan 0.000 0.492 420 L N 1.130 122.472 121.223 0.198 0.000 2.056 420 L HA 0.119 4.459 4.340 -0.001 0.000 0.207 420 L C 2.725 179.705 176.870 0.185 0.000 1.078 420 L CA 1.199 56.205 54.840 0.278 0.000 0.749 420 L CB -0.655 41.515 42.059 0.185 0.000 0.901 420 L HN 0.141 nan 8.230 nan 0.000 0.433 421 V N -0.310 119.665 119.914 0.102 0.000 2.407 421 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 421 V C 2.763 178.853 176.094 -0.008 0.000 1.055 421 V CA 2.066 64.389 62.300 0.038 0.000 1.049 421 V CB -0.638 31.195 31.823 0.017 0.000 0.662 421 V HN 0.469 nan 8.190 nan 0.000 0.455 422 R N -0.222 120.293 120.500 0.026 0.000 2.080 422 R HA -0.038 4.301 4.340 -0.001 0.000 0.222 422 R C 2.358 178.598 176.300 -0.101 0.000 1.107 422 R CA 1.251 57.333 56.100 -0.030 0.000 0.980 422 R CB -0.556 29.754 30.300 0.018 0.000 0.879 422 R HN 0.527 nan 8.270 nan 0.000 0.439 423 G N 0.455 109.182 108.800 -0.121 0.000 2.422 423 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 423 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 423 G C 1.242 175.518 174.900 -1.040 0.000 1.146 423 G CA 0.672 45.299 45.100 -0.789 0.000 0.769 423 G HN 0.399 nan 8.290 nan 0.000 0.547 424 E N -0.161 119.696 120.200 -0.572 0.000 2.072 424 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 424 E C 2.723 179.236 176.600 -0.144 0.000 0.985 424 E CA 0.610 56.896 56.400 -0.190 0.000 0.801 424 E CB 0.015 29.724 29.700 0.015 0.000 0.750 424 E HN 0.321 nan 8.360 nan 0.000 0.452 425 R N -0.226 120.184 120.500 -0.150 0.000 2.115 425 R HA -0.018 4.321 4.340 -0.001 0.000 0.226 425 R C 2.350 178.568 176.300 -0.136 0.000 1.100 425 R CA 0.620 56.643 56.100 -0.128 0.000 0.980 425 R CB -0.049 30.167 30.300 -0.140 0.000 0.875 425 R HN 0.181 nan 8.270 nan 0.000 0.445 426 L N -0.364 120.756 121.223 -0.171 0.000 2.005 426 L HA -0.192 4.148 4.340 -0.001 0.000 0.207 426 L C 2.236 179.052 176.870 -0.090 0.000 1.072 426 L CA 1.486 56.242 54.840 -0.139 0.000 0.744 426 L CB -0.614 41.350 42.059 -0.158 0.000 0.895 426 L HN 0.217 nan 8.230 nan 0.000 0.433 427 T N -0.945 113.543 114.554 -0.110 0.000 2.592 427 T HA -0.392 3.958 4.350 -0.001 0.000 0.267 427 T C 1.803 176.492 174.700 -0.017 0.000 1.060 427 T CA 2.204 64.285 62.100 -0.032 0.000 1.167 427 T CB -0.273 68.597 68.868 0.003 0.000 0.863 427 T HN 0.245 nan 8.240 nan 0.000 0.431 428 Q N 0.217 120.000 119.800 -0.029 0.000 2.181 428 Q HA -0.049 4.290 4.340 -0.001 0.000 0.205 428 Q C 2.011 178.006 176.000 -0.009 0.000 0.980 428 Q CA 1.119 56.912 55.803 -0.016 0.000 0.862 428 Q CB -0.523 28.201 28.738 -0.023 0.000 0.905 428 Q HN 0.456 nan 8.270 nan 0.000 0.429 429 L N -0.633 120.578 121.223 -0.020 0.000 2.291 429 L HA 0.040 4.379 4.340 -0.001 0.000 0.214 429 L C 1.323 178.204 176.870 0.018 0.000 1.120 429 L CA 1.348 56.189 54.840 0.002 0.000 0.799 429 L CB -0.022 42.025 42.059 -0.020 0.000 0.925 429 L HN 0.318 nan 8.230 nan 0.000 0.446 430 L N -1.055 120.172 121.223 0.007 0.000 2.567 430 L HA 0.066 4.405 4.340 -0.001 0.000 0.225 430 L C 0.870 177.745 176.870 0.009 0.000 1.119 430 L CA -0.101 54.748 54.840 0.015 0.000 0.871 430 L CB -0.279 41.791 42.059 0.018 0.000 1.036 430 L HN 0.083 nan 8.230 nan 0.000 0.459 431 K N 1.217 121.618 120.400 0.002 0.000 2.355 431 K HA 0.175 4.495 4.320 -0.001 0.000 0.270 431 K C -0.119 176.476 176.600 -0.010 0.000 1.003 431 K CA 0.395 56.672 56.287 -0.015 0.000 0.957 431 K CB 0.600 33.085 32.500 -0.025 0.000 0.939 431 K HN -0.020 nan 8.250 nan 0.000 0.482 432 Q N 1.691 121.475 119.800 -0.026 0.000 2.352 432 Q HA 0.168 4.508 4.340 -0.001 0.000 0.270 432 Q C -1.444 174.533 176.000 -0.038 0.000 1.006 432 Q CA -0.793 54.999 55.803 -0.018 0.000 0.880 432 Q CB 1.423 30.154 28.738 -0.011 0.000 1.392 432 Q HN 0.539 nan 8.270 nan 0.000 0.401 433 N N 2.530 121.217 118.700 -0.023 0.000 2.530 433 N HA 0.041 4.780 4.740 -0.001 0.000 0.273 433 N C -0.519 174.953 175.510 -0.063 0.000 1.173 433 N CA -0.032 53.001 53.050 -0.030 0.000 0.967 433 N CB 0.922 39.416 38.487 0.011 0.000 1.109 433 N HN 0.595 nan 8.380 nan 0.000 0.453 434 Q N 0.494 120.214 119.800 -0.134 0.000 2.369 434 Q HA -0.128 4.212 4.340 -0.001 0.000 0.295 434 Q C -0.392 175.465 176.000 -0.239 0.000 1.075 434 Q CA 0.483 56.075 55.803 -0.351 0.000 0.941 434 Q CB 0.167 28.538 28.738 -0.612 0.000 1.260 434 Q HN 0.595 nan 8.270 nan 0.000 0.417 435 Y N -0.700 119.582 120.300 -0.030 0.000 4.929 435 Y HA -0.256 4.293 4.550 -0.001 0.000 0.252 435 Y C -0.092 175.795 175.900 -0.022 0.000 0.950 435 Y CA 0.945 59.004 58.100 -0.068 0.000 1.935 435 Y CB -1.923 36.529 38.460 -0.015 0.000 1.440 435 Y HN 0.418 nan 8.280 nan 0.000 0.567 436 S N 1.607 117.357 115.700 0.083 0.000 2.080 436 S HA 0.377 4.847 4.470 -0.001 0.000 0.162 436 S C -2.418 172.197 174.600 0.025 0.000 1.618 436 S CA -0.988 57.250 58.200 0.063 0.000 1.200 436 S CB 1.159 64.392 63.200 0.055 0.000 1.135 436 S HN 0.050 nan 8.310 nan 0.000 0.455 437 P HA 0.297 nan 4.420 nan 0.000 0.275 437 P C -0.727 176.571 177.300 -0.003 0.000 1.227 437 P CA -0.391 62.714 63.100 0.009 0.000 0.781 437 P CB 0.840 32.547 31.700 0.012 0.000 0.906 438 L N 1.814 123.038 121.223 0.001 0.000 2.325 438 L HA 0.568 4.908 4.340 -0.001 0.000 0.278 438 L C 0.941 177.802 176.870 -0.015 0.000 1.023 438 L CA -1.199 53.634 54.840 -0.011 0.000 0.811 438 L CB 1.557 43.617 42.059 0.002 0.000 1.249 438 L HN 0.403 nan 8.230 nan 0.000 0.431 439 A N 1.864 124.656 122.820 -0.047 0.000 2.492 439 A HA 0.151 4.470 4.320 -0.001 0.000 0.236 439 A C 1.270 178.853 177.584 -0.002 0.000 1.078 439 A CA 0.101 52.110 52.037 -0.045 0.000 0.773 439 A CB 0.155 19.105 19.000 -0.084 0.000 1.023 439 A HN 0.888 nan 8.150 nan 0.000 0.504 440 T N 0.962 115.535 114.554 0.032 0.000 2.720 440 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 440 T C 1.687 176.391 174.700 0.006 0.000 1.037 440 T CA 1.777 63.900 62.100 0.037 0.000 1.144 440 T CB -0.217 68.687 68.868 0.060 0.000 0.864 440 T HN 0.883 nan 8.240 nan 0.000 0.444 441 E N 1.732 121.921 120.200 -0.018 0.000 2.418 441 E HA -0.123 4.226 4.350 -0.001 0.000 0.197 441 E C 1.475 178.032 176.600 -0.072 0.000 1.026 441 E CA 0.887 57.258 56.400 -0.048 0.000 0.862 441 E CB -0.223 29.438 29.700 -0.065 0.000 0.799 441 E HN 0.593 nan 8.360 nan 0.000 0.518 442 E N 0.926 121.090 120.200 -0.060 0.000 2.086 442 E HA -0.067 4.282 4.350 -0.001 0.000 0.190 442 E C 2.208 178.797 176.600 -0.017 0.000 0.975 442 E CA 0.575 56.935 56.400 -0.067 0.000 0.813 442 E CB 0.003 29.668 29.700 -0.059 0.000 0.768 442 E HN 0.306 nan 8.360 nan 0.000 0.457 443 Q N 0.485 120.290 119.800 0.008 0.000 2.084 443 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 443 Q C 2.367 178.403 176.000 0.060 0.000 0.978 443 Q CA 1.215 57.041 55.803 0.039 0.000 0.844 443 Q CB -0.024 28.736 28.738 0.038 0.000 0.898 443 Q HN 0.124 nan 8.270 nan 0.000 0.426 444 V N 1.203 121.142 119.914 0.042 0.000 2.261 444 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 444 V C -0.937 175.226 176.094 0.115 0.000 1.047 444 V CA 2.093 64.429 62.300 0.059 0.000 1.015 444 V CB -1.189 30.645 31.823 0.018 0.000 0.642 444 V HN 0.295 nan 8.190 nan 0.000 0.446 445 P HA -0.084 nan 4.420 nan 0.000 0.217 445 P C 1.905 179.452 177.300 0.412 0.000 1.151 445 P CA 1.229 64.452 63.100 0.206 0.000 0.828 445 P CB -0.022 31.677 31.700 -0.001 0.000 0.788 446 L N -0.861 120.555 121.223 0.322 0.000 1.971 446 L HA -0.202 4.138 4.340 -0.001 0.000 0.215 446 L C 2.380 179.380 176.870 0.217 0.000 1.072 446 L CA 1.542 56.584 54.840 0.336 0.000 0.758 446 L CB -1.100 41.097 42.059 0.230 0.000 0.889 446 L HN -0.059 nan 8.230 nan 0.000 0.433 447 I N -0.853 119.811 120.570 0.156 0.000 2.208 447 I HA -0.358 3.812 4.170 -0.001 0.000 0.245 447 I C 2.569 178.746 176.117 0.101 0.000 1.097 447 I CA 1.872 63.229 61.300 0.095 0.000 1.363 447 I CB -1.120 36.927 38.000 0.080 0.000 1.051 447 I HN 0.317 nan 8.210 nan 0.000 0.413 448 Y N 2.103 122.439 120.300 0.059 0.000 2.181 448 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 448 Y C 2.631 178.569 175.900 0.063 0.000 1.146 448 Y CA 1.899 60.031 58.100 0.053 0.000 1.164 448 Y CB -0.246 38.247 38.460 0.056 0.000 0.982 448 Y HN 0.107 nan 8.280 nan 0.000 0.515 449 A N 0.166 123.075 122.820 0.149 0.000 1.940 449 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 449 A C 2.408 179.950 177.584 -0.070 0.000 1.176 449 A CA 1.796 53.843 52.037 0.017 0.000 0.631 449 A CB -1.644 17.393 19.000 0.063 0.000 0.814 449 A HN 0.616 nan 8.150 nan 0.000 0.446 450 G N -0.802 107.944 108.800 -0.089 0.000 2.424 450 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.214 450 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.214 450 G C 1.530 176.309 174.900 -0.203 0.000 1.202 450 G CA 1.014 46.022 45.100 -0.153 0.000 0.793 450 G HN 0.263 nan 8.290 nan 0.000 0.534 451 V N 1.938 121.728 119.914 -0.207 0.000 2.252 451 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 451 V C 2.213 178.142 176.094 -0.274 0.000 1.056 451 V CA 1.925 64.068 62.300 -0.262 0.000 1.022 451 V CB -0.496 31.210 31.823 -0.196 0.000 0.641 451 V HN 0.428 nan 8.190 nan 0.000 0.445 452 N N 0.182 118.700 118.700 -0.304 0.000 2.515 452 N HA 0.038 4.778 4.740 -0.001 0.000 0.191 452 N C 1.240 176.573 175.510 -0.296 0.000 1.182 452 N CA 0.834 53.711 53.050 -0.288 0.000 0.879 452 N CB 0.372 38.628 38.487 -0.385 0.000 0.984 452 N HN 0.646 nan 8.380 nan 0.000 0.453 453 G N 1.231 109.889 108.800 -0.237 0.000 2.225 453 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.264 453 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.264 453 G C 0.220 174.942 174.900 -0.296 0.000 1.060 453 G CA 0.198 45.147 45.100 -0.252 0.000 0.833 453 G HN 0.542 nan 8.290 nan 0.000 0.498 454 H N -1.018 117.935 119.070 -0.195 0.000 2.551 454 H HA 0.366 4.922 4.556 -0.001 0.000 0.266 454 H C 2.532 177.727 175.328 -0.222 0.000 0.964 454 H CA 0.846 56.800 56.048 -0.156 0.000 1.180 454 H CB 0.239 29.938 29.762 -0.105 0.000 1.408 454 H HN 0.445 nan 8.280 nan 0.000 0.563 455 L N 0.098 121.206 121.223 -0.192 0.000 2.509 455 L HA -0.014 4.325 4.340 -0.001 0.000 0.222 455 L C 0.882 177.623 176.870 -0.216 0.000 1.123 455 L CA 0.309 54.951 54.840 -0.329 0.000 0.856 455 L CB 0.234 42.048 42.059 -0.408 0.000 0.985 455 L HN 0.183 nan 8.230 nan 0.000 0.456 456 D N 0.280 120.582 120.400 -0.164 0.000 2.310 456 D HA -0.068 4.571 4.640 -0.001 0.000 0.212 456 D C 1.420 177.665 176.300 -0.093 0.000 0.965 456 D CA 0.781 54.706 54.000 -0.124 0.000 0.879 456 D CB 0.020 40.751 40.800 -0.116 0.000 0.921 456 D HN 0.219 nan 8.370 nan 0.000 0.510 457 G N 0.223 108.968 108.800 -0.092 0.000 4.649 457 G HA2 0.522 4.481 3.960 -0.001 0.000 0.312 457 G HA3 0.522 4.481 3.960 -0.001 0.000 0.312 457 G C -0.375 174.488 174.900 -0.062 0.000 1.403 457 G CA -0.237 44.825 45.100 -0.065 0.000 1.248 457 G HN 0.045 nan 8.290 nan 0.000 0.581 458 I N -0.571 119.958 120.570 -0.069 0.000 2.722 458 I HA 0.219 4.389 4.170 -0.001 0.000 0.292 458 I C -0.195 175.896 176.117 -0.042 0.000 1.267 458 I CA -0.715 60.551 61.300 -0.056 0.000 1.036 458 I CB 2.884 40.826 38.000 -0.095 0.000 1.281 458 I HN 0.125 nan 8.210 nan 0.000 0.423 459 E N 3.655 123.845 120.200 -0.018 0.000 2.392 459 E HA 0.036 4.386 4.350 -0.001 0.000 0.264 459 E C 0.538 177.134 176.600 -0.007 0.000 1.024 459 E CA -0.133 56.262 56.400 -0.009 0.000 0.903 459 E CB 0.991 30.692 29.700 0.002 0.000 0.963 459 E HN 0.495 nan 8.360 nan 0.000 0.432 460 L N 3.635 124.854 121.223 -0.006 0.000 2.083 460 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 460 L C 2.307 179.181 176.870 0.008 0.000 1.083 460 L CA 2.102 56.939 54.840 -0.005 0.000 0.752 460 L CB -0.461 41.598 42.059 0.001 0.000 0.899 460 L HN 0.627 nan 8.230 nan 0.000 0.433 461 S N -1.673 114.035 115.700 0.014 0.000 2.481 461 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 461 S C 2.001 176.621 174.600 0.034 0.000 0.996 461 S CA 0.492 58.705 58.200 0.022 0.000 0.942 461 S CB -0.380 62.831 63.200 0.020 0.000 0.768 461 S HN 0.461 nan 8.310 nan 0.000 0.520 462 R N 0.229 120.753 120.500 0.039 0.000 2.254 462 R HA 0.344 4.683 4.340 -0.001 0.000 0.195 462 R C 1.663 178.028 176.300 0.107 0.000 0.957 462 R CA 0.229 56.368 56.100 0.066 0.000 1.024 462 R CB -0.161 30.174 30.300 0.058 0.000 0.952 462 R HN 0.364 nan 8.270 nan 0.000 0.484 463 I N 0.689 121.304 120.570 0.076 0.000 2.399 463 I HA -0.213 3.956 4.170 -0.001 0.000 0.254 463 I C 2.256 178.466 176.117 0.155 0.000 1.146 463 I CA 1.605 62.963 61.300 0.096 0.000 1.412 463 I CB -1.377 36.628 38.000 0.007 0.000 1.076 463 I HN 0.263 nan 8.210 nan 0.000 0.432 464 G N 1.935 110.799 108.800 0.107 0.000 2.545 464 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 464 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 464 G C 1.502 176.483 174.900 0.135 0.000 1.218 464 G CA 1.021 46.182 45.100 0.102 0.000 0.787 464 G HN 0.647 nan 8.290 nan 0.000 0.571 465 E N -0.394 119.887 120.200 0.134 0.000 2.268 465 E HA -0.120 4.229 4.350 -0.001 0.000 0.195 465 E C 2.138 178.852 176.600 0.190 0.000 0.995 465 E CA 0.667 57.147 56.400 0.133 0.000 0.836 465 E CB -0.425 29.337 29.700 0.104 0.000 0.763 465 E HN 0.437 nan 8.360 nan 0.000 0.491 466 F N 2.318 122.335 119.950 0.111 0.000 2.069 466 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 466 F C 2.338 178.253 175.800 0.192 0.000 1.113 466 F CA 2.204 60.304 58.000 0.166 0.000 1.214 466 F CB -0.158 38.904 39.000 0.103 0.000 0.978 466 F HN 0.020 nan 8.300 nan 0.000 0.474 467 E N 0.093 120.498 120.200 0.341 0.000 2.021 467 E HA -0.269 4.080 4.350 -0.001 0.000 0.200 467 E C 2.260 178.911 176.600 0.085 0.000 1.015 467 E CA 2.281 58.836 56.400 0.257 0.000 0.824 467 E CB -0.274 29.555 29.700 0.214 0.000 0.762 467 E HN 0.552 nan 8.360 nan 0.000 0.454 468 S N -0.010 115.729 115.700 0.064 0.000 2.383 468 S HA -0.069 4.400 4.470 -0.001 0.000 0.227 468 S C 2.229 176.827 174.600 -0.004 0.000 1.026 468 S CA 1.102 59.314 58.200 0.020 0.000 0.981 468 S CB -0.143 63.075 63.200 0.031 0.000 0.818 468 S HN 0.079 nan 8.310 nan 0.000 0.472 469 S N 1.342 117.060 115.700 0.029 0.000 2.382 469 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 469 S C 1.373 175.963 174.600 -0.016 0.000 1.027 469 S CA 1.012 59.270 58.200 0.096 0.000 0.991 469 S CB -0.496 62.835 63.200 0.218 0.000 0.823 469 S HN 0.521 nan 8.310 nan 0.000 0.469 470 F N 2.487 122.092 119.950 -0.575 0.000 2.060 470 F HA 0.008 4.534 4.527 -0.001 0.000 0.295 470 F C 1.847 177.334 175.800 -0.523 0.000 1.120 470 F CA 1.023 58.357 58.000 -1.110 0.000 1.205 470 F CB -0.997 37.310 39.000 -1.156 0.000 0.986 470 F HN 0.086 nan 8.300 nan 0.000 0.470 471 L N -0.542 120.469 121.223 -0.354 0.000 2.013 471 L HA -0.292 4.048 4.340 -0.001 0.000 0.212 471 L C 2.562 179.274 176.870 -0.264 0.000 1.073 471 L CA 1.601 56.229 54.840 -0.354 0.000 0.753 471 L CB -1.180 40.764 42.059 -0.193 0.000 0.890 471 L HN 0.093 nan 8.230 nan 0.000 0.432 472 S N -0.964 114.647 115.700 -0.148 0.000 2.372 472 S HA -0.292 4.178 4.470 -0.001 0.000 0.227 472 S C 1.873 176.426 174.600 -0.080 0.000 1.044 472 S CA 2.045 60.197 58.200 -0.081 0.000 1.050 472 S CB -0.497 62.700 63.200 -0.004 0.000 0.901 472 S HN 0.524 nan 8.310 nan 0.000 0.447 473 Y N 1.860 122.041 120.300 -0.199 0.000 2.200 473 Y HA 0.002 4.551 4.550 -0.001 0.000 0.290 473 Y C 1.801 177.543 175.900 -0.262 0.000 1.137 473 Y CA 1.131 59.132 58.100 -0.164 0.000 1.163 473 Y CB -0.514 37.914 38.460 -0.054 0.000 0.988 473 Y HN 0.138 nan 8.280 nan 0.000 0.518 474 L N 0.355 121.172 121.223 -0.676 0.000 2.083 474 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 474 L C 2.459 179.041 176.870 -0.481 0.000 1.083 474 L CA 1.719 56.133 54.840 -0.711 0.000 0.752 474 L CB -0.524 41.139 42.059 -0.660 0.000 0.899 474 L HN 0.106 nan 8.230 nan 0.000 0.433 475 K N -0.591 119.596 120.400 -0.355 0.000 1.985 475 K HA -0.143 4.176 4.320 -0.001 0.000 0.210 475 K C 2.409 178.862 176.600 -0.243 0.000 1.047 475 K CA 1.611 57.750 56.287 -0.248 0.000 0.932 475 K CB -0.340 32.050 32.500 -0.183 0.000 0.716 475 K HN 0.041 nan 8.250 nan 0.000 0.439 476 S N 0.731 116.288 115.700 -0.238 0.000 2.369 476 S HA -0.193 4.276 4.470 -0.001 0.000 0.225 476 S C 1.580 176.017 174.600 -0.272 0.000 1.043 476 S CA 2.087 60.166 58.200 -0.202 0.000 1.074 476 S CB -0.282 62.839 63.200 -0.131 0.000 0.962 476 S HN 0.288 nan 8.310 nan 0.000 0.433 477 N N -0.126 118.278 118.700 -0.493 0.000 2.418 477 N HA 0.080 4.819 4.740 -0.001 0.000 0.199 477 N C 0.582 175.774 175.510 -0.531 0.000 1.044 477 N CA 0.841 53.521 53.050 -0.615 0.000 0.943 477 N CB -0.258 37.601 38.487 -1.047 0.000 1.154 477 N HN 0.336 nan 8.380 nan 0.000 0.467 478 H N 0.859 119.719 119.070 -0.350 0.000 2.704 478 H HA 0.216 4.772 4.556 -0.001 0.000 0.315 478 H C 0.606 175.803 175.328 -0.220 0.000 1.117 478 H CA -0.175 55.724 56.048 -0.249 0.000 1.129 478 H CB -0.685 28.921 29.762 -0.259 0.000 1.439 478 H HN 0.344 nan 8.280 nan 0.000 0.528 479 N N 1.429 120.042 118.700 -0.144 0.000 2.192 479 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 479 N C 1.105 176.562 175.510 -0.087 0.000 1.013 479 N CA 0.843 53.816 53.050 -0.130 0.000 0.863 479 N CB 0.422 38.834 38.487 -0.126 0.000 0.990 479 N HN 0.564 nan 8.380 nan 0.000 0.430 480 E N 0.602 120.766 120.200 -0.060 0.000 2.204 480 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 480 E C 2.137 178.705 176.600 -0.053 0.000 0.990 480 E CA 0.645 57.016 56.400 -0.047 0.000 0.821 480 E CB -0.105 29.577 29.700 -0.031 0.000 0.750 480 E HN 0.516 nan 8.360 nan 0.000 0.477 481 L N 0.598 121.785 121.223 -0.060 0.000 2.023 481 L HA -0.104 4.235 4.340 -0.001 0.000 0.205 481 L C 2.693 179.511 176.870 -0.086 0.000 1.073 481 L CA 0.769 55.562 54.840 -0.078 0.000 0.745 481 L CB -0.682 41.319 42.059 -0.097 0.000 0.900 481 L HN 0.084 nan 8.230 nan 0.000 0.435 482 L N -0.069 121.093 121.223 -0.102 0.000 2.081 482 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 482 L C 2.509 179.329 176.870 -0.083 0.000 1.080 482 L CA 1.626 56.401 54.840 -0.108 0.000 0.754 482 L CB -0.816 41.161 42.059 -0.136 0.000 0.893 482 L HN 0.377 nan 8.230 nan 0.000 0.433 483 T N -1.795 112.715 114.554 -0.074 0.000 3.043 483 T HA -0.131 4.219 4.350 -0.001 0.000 0.263 483 T C 1.659 176.332 174.700 -0.046 0.000 1.094 483 T CA 0.836 62.901 62.100 -0.058 0.000 1.127 483 T CB 0.204 69.038 68.868 -0.056 0.000 0.905 483 T HN 0.337 nan 8.240 nan 0.000 0.490 484 E N 1.154 121.325 120.200 -0.049 0.000 2.033 484 E HA -0.004 4.346 4.350 -0.001 0.000 0.189 484 E C 2.010 178.587 176.600 -0.038 0.000 0.979 484 E CA 0.646 57.021 56.400 -0.041 0.000 0.802 484 E CB -0.278 29.395 29.700 -0.045 0.000 0.763 484 E HN 0.376 nan 8.360 nan 0.000 0.449 485 I N 1.000 121.541 120.570 -0.048 0.000 2.091 485 I HA -0.424 3.745 4.170 -0.001 0.000 0.240 485 I C 2.846 178.948 176.117 -0.024 0.000 1.046 485 I CA 1.985 63.261 61.300 -0.041 0.000 1.306 485 I CB -0.444 37.524 38.000 -0.053 0.000 1.018 485 I HN 0.206 nan 8.210 nan 0.000 0.404 486 R N 0.845 121.330 120.500 -0.025 0.000 2.103 486 R HA -0.273 4.067 4.340 -0.001 0.000 0.234 486 R C 2.271 178.573 176.300 0.004 0.000 1.132 486 R CA 2.346 58.443 56.100 -0.005 0.000 0.925 486 R CB -0.301 29.989 30.300 -0.017 0.000 0.842 486 R HN 0.248 nan 8.270 nan 0.000 0.430 487 E N -0.148 120.048 120.200 -0.008 0.000 2.118 487 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 487 E C 1.711 178.308 176.600 -0.004 0.000 0.992 487 E CA 1.657 58.055 56.400 -0.004 0.000 0.804 487 E CB 0.255 29.948 29.700 -0.012 0.000 0.741 487 E HN 0.265 nan 8.360 nan 0.000 0.458 488 K N -2.104 118.289 120.400 -0.011 0.000 2.276 488 K HA 0.140 4.459 4.320 -0.001 0.000 0.198 488 K C 1.290 177.884 176.600 -0.011 0.000 1.052 488 K CA 0.709 56.989 56.287 -0.012 0.000 0.984 488 K CB 0.769 33.260 32.500 -0.016 0.000 0.836 488 K HN 0.269 nan 8.250 nan 0.000 0.490 489 G N 2.499 111.293 108.800 -0.010 0.000 2.166 489 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.260 489 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.260 489 G C -0.087 174.807 174.900 -0.010 0.000 0.986 489 G CA 0.851 45.946 45.100 -0.008 0.000 0.683 489 G HN 0.401 nan 8.290 nan 0.000 0.527 490 E N -0.477 119.715 120.200 -0.013 0.000 2.287 490 E HA 0.467 4.817 4.350 -0.001 0.000 0.274 490 E C 0.195 176.784 176.600 -0.018 0.000 0.896 490 E CA -0.903 55.490 56.400 -0.011 0.000 0.788 490 E CB 0.729 30.424 29.700 -0.008 0.000 1.244 490 E HN 0.205 nan 8.360 nan 0.000 0.408 491 L N 4.111 125.323 121.223 -0.019 0.000 2.454 491 L HA 0.194 4.534 4.340 -0.001 0.000 0.284 491 L C 0.788 177.644 176.870 -0.024 0.000 1.139 491 L CA -0.349 54.471 54.840 -0.033 0.000 0.911 491 L CB -0.135 41.899 42.059 -0.041 0.000 1.262 491 L HN 0.477 nan 8.230 nan 0.000 0.453 492 S N 2.606 118.290 115.700 -0.027 0.000 2.596 492 S HA 0.103 4.573 4.470 -0.001 0.000 0.260 492 S C 1.111 175.698 174.600 -0.022 0.000 1.336 492 S CA -0.432 57.756 58.200 -0.020 0.000 0.993 492 S CB 1.032 64.220 63.200 -0.020 0.000 0.923 492 S HN 0.644 nan 8.310 nan 0.000 0.567 493 K N 0.738 121.130 120.400 -0.012 0.000 2.152 493 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 493 K C 1.828 178.419 176.600 -0.016 0.000 1.048 493 K CA 1.799 58.081 56.287 -0.007 0.000 0.933 493 K CB -0.273 32.227 32.500 0.000 0.000 0.721 493 K HN 0.622 nan 8.250 nan 0.000 0.447 494 E N 1.066 121.253 120.200 -0.022 0.000 2.158 494 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 494 E C 1.819 178.389 176.600 -0.050 0.000 0.982 494 E CA 0.484 56.867 56.400 -0.029 0.000 0.823 494 E CB -0.153 29.531 29.700 -0.026 0.000 0.766 494 E HN 0.176 nan 8.360 nan 0.000 0.468 495 L N 0.070 121.258 121.223 -0.058 0.000 2.156 495 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 495 L C 1.930 178.725 176.870 -0.125 0.000 1.095 495 L CA 0.662 55.451 54.840 -0.086 0.000 0.770 495 L CB -0.037 41.977 42.059 -0.076 0.000 0.914 495 L HN 0.198 nan 8.230 nan 0.000 0.439 496 L N -0.729 120.431 121.223 -0.104 0.000 2.046 496 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 496 L C 2.766 179.566 176.870 -0.117 0.000 1.077 496 L CA 1.212 55.971 54.840 -0.135 0.000 0.747 496 L CB -0.593 41.442 42.059 -0.039 0.000 0.896 496 L HN 0.284 nan 8.230 nan 0.000 0.432 497 A N -0.164 122.620 122.820 -0.060 0.000 1.851 497 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 497 A C 2.473 180.017 177.584 -0.068 0.000 1.195 497 A CA 2.290 54.306 52.037 -0.036 0.000 0.622 497 A CB -0.913 18.075 19.000 -0.021 0.000 0.831 497 A HN 0.459 nan 8.150 nan 0.000 0.444 498 S N -0.084 115.557 115.700 -0.098 0.000 2.374 498 S HA -0.200 4.269 4.470 -0.001 0.000 0.227 498 S C 1.849 176.344 174.600 -0.175 0.000 1.037 498 S CA 1.596 59.714 58.200 -0.137 0.000 1.024 498 S CB -0.633 62.481 63.200 -0.143 0.000 0.861 498 S HN 0.373 nan 8.310 nan 0.000 0.456 499 L N 1.999 123.100 121.223 -0.202 0.000 2.017 499 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 499 L C 2.482 179.234 176.870 -0.197 0.000 1.073 499 L CA 1.790 56.474 54.840 -0.259 0.000 0.745 499 L CB -0.500 41.287 42.059 -0.453 0.000 0.894 499 L HN 0.244 nan 8.230 nan 0.000 0.432 500 K N -0.938 119.367 120.400 -0.159 0.000 2.001 500 K HA -0.276 4.043 4.320 -0.001 0.000 0.214 500 K C 2.343 179.001 176.600 0.096 0.000 1.050 500 K CA 2.135 58.481 56.287 0.098 0.000 0.934 500 K CB -0.519 32.079 32.500 0.163 0.000 0.718 500 K HN 0.442 nan 8.250 nan 0.000 0.443 501 S N 0.282 116.007 115.700 0.042 0.000 2.359 501 S HA -0.220 4.249 4.470 -0.001 0.000 0.222 501 S C 2.147 176.794 174.600 0.078 0.000 1.038 501 S CA 1.904 60.134 58.200 0.049 0.000 1.051 501 S CB -0.622 62.576 63.200 -0.004 0.000 0.944 501 S HN 0.489 nan 8.310 nan 0.000 0.433 502 A N 0.816 123.642 122.820 0.010 0.000 1.958 502 A HA -0.111 4.208 4.320 -0.001 0.000 0.221 502 A C 2.442 180.256 177.584 0.384 0.000 1.178 502 A CA 2.578 54.682 52.037 0.112 0.000 0.642 502 A CB -1.717 17.233 19.000 -0.084 0.000 0.816 502 A HN 0.731 nan 8.150 nan 0.000 0.453 503 T N -0.227 114.493 114.554 0.278 0.000 2.732 503 T HA -0.092 4.257 4.350 -0.001 0.000 0.261 503 T C 1.747 176.568 174.700 0.202 0.000 1.040 503 T CA 1.267 63.523 62.100 0.261 0.000 1.145 503 T CB -0.343 68.528 68.868 0.005 0.000 0.866 503 T HN 0.644 nan 8.240 nan 0.000 0.427 504 E N 1.407 121.707 120.200 0.166 0.000 2.021 504 E HA -0.210 4.139 4.350 -0.001 0.000 0.200 504 E C 2.422 179.127 176.600 0.174 0.000 1.015 504 E CA 1.383 57.911 56.400 0.212 0.000 0.824 504 E CB -0.452 29.370 29.700 0.204 0.000 0.762 504 E HN 0.357 nan 8.360 nan 0.000 0.454 505 S N 0.501 116.308 115.700 0.177 0.000 2.427 505 S HA -0.310 4.160 4.470 -0.001 0.000 0.261 505 S C 1.744 176.406 174.600 0.103 0.000 1.091 505 S CA 2.142 60.440 58.200 0.162 0.000 1.251 505 S CB -0.596 62.760 63.200 0.261 0.000 1.160 505 S HN 0.394 nan 8.310 nan 0.000 0.436 506 F N 1.631 121.565 119.950 -0.027 0.000 2.216 506 F HA -0.016 4.510 4.527 -0.001 0.000 0.300 506 F C 2.059 177.808 175.800 -0.085 0.000 1.085 506 F CA 1.524 59.409 58.000 -0.193 0.000 1.326 506 F CB -0.286 38.603 39.000 -0.186 0.000 1.027 506 F HN 0.143 nan 8.300 nan 0.000 0.497 507 V N 0.385 120.357 119.914 0.097 0.000 2.515 507 V HA -0.178 3.942 4.120 -0.001 0.000 0.250 507 V C 2.221 178.278 176.094 -0.061 0.000 1.058 507 V CA 1.329 63.669 62.300 0.067 0.000 1.064 507 V CB -1.581 30.335 31.823 0.154 0.000 0.675 507 V HN 0.411 nan 8.190 nan 0.000 0.461 508 A N 0.233 123.018 122.820 -0.059 0.000 2.305 508 A HA 0.276 4.595 4.320 -0.001 0.000 0.236 508 A C 0.773 178.257 177.584 -0.167 0.000 1.392 508 A CA 0.657 52.645 52.037 -0.081 0.000 1.205 508 A CB -1.493 17.486 19.000 -0.036 0.000 0.881 508 A HN 0.680 nan 8.150 nan 0.000 0.558 509 T N -3.389 110.991 114.554 -0.290 0.000 0.587 509 T HA 0.143 4.492 4.350 -0.001 0.000 0.768 509 T C -0.340 174.043 174.700 -0.528 0.000 0.992 509 T CA 0.922 62.755 62.100 -0.445 0.000 4.050 509 T CB -2.527 66.183 68.868 -0.262 0.000 2.287 509 T HN 2.022 nan 8.240 nan 0.000 0.395 510 F N 0.000 119.409 119.950 -0.902 0.000 2.286 510 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 510 F CA 0.000 nan 58.000 nan 0.000 1.383 510 F CB 0.000 nan 39.000 nan 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574