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 2w6f_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.302 176.300 0.004 0.000 2.045 24 D CA 0.000 54.002 54.000 0.004 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 25 L N 2.467 123.691 121.223 0.003 0.000 2.611 25 L HA 0.253 4.592 4.340 -0.001 0.000 0.229 25 L C 1.750 178.598 176.870 -0.036 0.000 1.137 25 L CA 0.169 55.002 54.840 -0.010 0.000 0.901 25 L CB 0.274 42.328 42.059 -0.010 0.000 1.098 25 L HN 0.440 nan 8.230 nan 0.000 0.456 26 E N 0.045 120.228 120.200 -0.028 0.000 2.166 26 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 26 E C 1.254 177.832 176.600 -0.036 0.000 0.967 26 E CA 0.470 56.849 56.400 -0.034 0.000 0.840 26 E CB 0.617 30.302 29.700 -0.025 0.000 0.795 26 E HN 0.335 nan 8.360 nan 0.000 0.470 27 E N 0.116 120.297 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.394 4.350 -0.001 0.000 0.208 27 E C 0.315 176.890 176.600 -0.043 0.000 0.997 27 E CA 0.258 56.636 56.400 -0.036 0.000 0.961 27 E CB 1.498 31.180 29.700 -0.030 0.000 1.030 27 E HN 0.148 nan 8.360 nan 0.000 0.483 28 T N -2.254 112.278 114.554 -0.037 0.000 2.864 28 T HA 0.719 5.069 4.350 -0.001 0.000 0.299 28 T C -0.022 174.660 174.700 -0.029 0.000 1.166 28 T CA -0.552 61.524 62.100 -0.040 0.000 1.007 28 T CB 2.486 71.337 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.462 109.244 108.800 -0.029 0.000 2.733 29 G HA2 0.721 4.681 3.960 -0.001 0.000 0.288 29 G HA3 0.721 4.681 3.960 -0.001 0.000 0.288 29 G C -1.564 173.359 174.900 0.040 0.000 1.373 29 G CA -1.135 43.970 45.100 0.008 0.000 0.895 29 G HN 0.834 nan 8.290 nan 0.000 0.479 30 R N -0.540 120.017 120.500 0.094 0.000 2.599 30 R HA 0.517 4.856 4.340 -0.001 0.000 0.295 30 R C -0.722 175.647 176.300 0.114 0.000 0.963 30 R CA -0.722 55.433 56.100 0.093 0.000 0.883 30 R CB 2.557 32.904 30.300 0.078 0.000 1.171 30 R HN 0.329 nan 8.270 nan 0.000 0.450 31 V N 5.078 125.064 119.914 0.120 0.000 2.521 31 V HA -0.002 4.117 4.120 -0.001 0.000 0.286 31 V C 1.359 177.506 176.094 0.087 0.000 1.034 31 V CA 0.299 62.680 62.300 0.135 0.000 1.045 31 V CB 0.665 32.584 31.823 0.159 0.000 0.974 31 V HN 0.737 nan 8.190 nan 0.000 0.480 32 L N 3.608 124.882 121.223 0.085 0.000 2.298 32 L HA 0.178 4.517 4.340 -0.001 0.000 0.209 32 L C 0.869 177.761 176.870 0.038 0.000 1.084 32 L CA 0.817 55.687 54.840 0.050 0.000 0.816 32 L CB 0.147 42.241 42.059 0.058 0.000 0.967 32 L HN 0.872 nan 8.230 nan 0.000 0.460 33 S N -0.909 114.820 115.700 0.047 0.000 2.543 33 S HA 0.592 5.062 4.470 -0.001 0.000 0.274 33 S C -1.220 173.398 174.600 0.031 0.000 1.149 33 S CA -0.819 57.399 58.200 0.030 0.000 0.866 33 S CB 2.321 65.535 63.200 0.024 0.000 1.111 33 S HN -0.008 nan 8.310 nan 0.000 0.457 34 I N 0.905 121.481 120.570 0.010 0.000 2.569 34 I HA 0.904 5.073 4.170 -0.001 0.000 0.290 34 I C -0.301 175.805 176.117 -0.019 0.000 1.088 34 I CA 0.298 61.593 61.300 -0.009 0.000 1.047 34 I CB 1.516 39.494 38.000 -0.037 0.000 1.237 34 I HN 1.358 nan 8.210 nan 0.000 0.421 35 G N 4.354 113.141 108.800 -0.021 0.000 2.616 35 G HA2 0.392 4.351 3.960 -0.001 0.000 0.294 35 G HA3 0.392 4.351 3.960 -0.001 0.000 0.294 35 G C -1.187 173.700 174.900 -0.022 0.000 1.489 35 G CA -0.543 44.544 45.100 -0.022 0.000 0.836 35 G HN 0.623 nan 8.290 nan 0.000 0.527 36 D N -0.379 120.006 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.441 4.640 -0.001 0.000 0.233 36 D C 1.679 177.964 176.300 -0.026 0.000 1.155 36 D CA 2.760 56.745 54.000 -0.025 0.000 0.667 36 D CB -1.114 39.672 40.800 -0.024 0.000 1.060 36 D HN 2.203 nan 8.370 nan 0.000 0.427 37 G N -1.060 107.722 108.800 -0.030 0.000 2.168 37 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.263 37 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.263 37 G C 0.267 175.162 174.900 -0.009 0.000 0.977 37 G CA 0.402 45.485 45.100 -0.028 0.000 0.659 37 G HN 0.499 nan 8.290 nan 0.000 0.533 38 I N 1.062 121.629 120.570 -0.005 0.000 2.354 38 I HA 0.675 4.845 4.170 -0.001 0.000 0.292 38 I C 0.604 176.742 176.117 0.036 0.000 0.989 38 I CA -0.916 60.398 61.300 0.023 0.000 1.188 38 I CB 1.202 39.208 38.000 0.010 0.000 1.342 38 I HN 0.295 nan 8.210 nan 0.000 0.457 39 A N 7.831 130.706 122.820 0.092 0.000 2.317 39 A HA 0.741 5.060 4.320 -0.001 0.000 0.327 39 A C -0.100 177.568 177.584 0.141 0.000 1.178 39 A CA -0.707 51.410 52.037 0.133 0.000 0.817 39 A CB 1.031 20.198 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.249 122.819 120.500 0.117 0.000 2.312 40 R HA 0.393 4.733 4.340 -0.001 0.000 0.310 40 R C -1.150 175.218 176.300 0.114 0.000 1.064 40 R CA -0.284 55.873 56.100 0.096 0.000 0.983 40 R CB 1.076 31.416 30.300 0.067 0.000 1.139 40 R HN 0.518 nan 8.270 nan 0.000 0.536 41 V N 2.840 122.821 119.914 0.111 0.000 2.509 41 V HA 0.172 4.291 4.120 -0.001 0.000 0.284 41 V C 0.240 176.394 176.094 0.100 0.000 1.047 41 V CA -0.770 61.593 62.300 0.105 0.000 0.952 41 V CB 1.306 33.163 31.823 0.055 0.000 0.988 41 V HN 0.601 nan 8.190 nan 0.000 0.469 42 H N 2.534 121.617 119.070 0.021 0.000 2.488 42 H HA 0.663 5.218 4.556 -0.001 0.000 0.322 42 H C 0.378 175.708 175.328 0.002 0.000 1.078 42 H CA 1.078 57.133 56.048 0.012 0.000 1.260 42 H CB 0.903 30.673 29.762 0.014 0.000 1.425 42 H HN 1.069 nan 8.280 nan 0.000 0.471 43 G N 3.031 111.606 108.800 -0.376 0.000 2.443 43 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G C -0.165 174.659 174.900 -0.127 0.000 1.176 43 G CA -0.468 44.501 45.100 -0.217 0.000 1.074 43 G HN 1.153 nan 8.290 nan 0.000 0.577 44 L N -0.475 120.700 121.223 -0.080 0.000 3.717 44 L HA -0.205 4.134 4.340 -0.001 0.000 0.414 44 L C 2.277 179.106 176.870 -0.068 0.000 1.228 44 L CA 0.770 55.568 54.840 -0.070 0.000 0.918 44 L CB -0.766 41.251 42.059 -0.070 0.000 1.865 44 L HN 0.644 nan 8.230 nan 0.000 0.922 45 R N 0.526 120.982 120.500 -0.072 0.000 2.170 45 R HA -0.094 4.246 4.340 -0.001 0.000 0.242 45 R C 1.422 177.695 176.300 -0.045 0.000 1.145 45 R CA 1.455 57.517 56.100 -0.063 0.000 0.984 45 R CB -0.278 29.985 30.300 -0.061 0.000 0.869 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 N N 0.256 118.931 118.700 -0.041 0.000 2.280 46 N HA -0.013 4.726 4.740 -0.001 0.000 0.192 46 N C 0.101 175.591 175.510 -0.032 0.000 1.109 46 N CA 0.128 53.158 53.050 -0.033 0.000 0.855 46 N CB 0.350 38.819 38.487 -0.030 0.000 0.974 46 N HN 0.006 nan 8.380 nan 0.000 0.482 47 V N 0.195 120.086 119.914 -0.037 0.000 2.872 47 V HA 0.042 4.161 4.120 -0.001 0.000 0.307 47 V C 0.410 176.491 176.094 -0.022 0.000 1.072 47 V CA -0.526 61.754 62.300 -0.034 0.000 1.148 47 V CB 0.184 31.984 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.863 122.653 119.800 -0.018 0.000 2.193 48 Q HA 0.727 5.066 4.340 -0.001 0.000 0.246 48 Q C 0.157 176.158 176.000 0.000 0.000 0.959 48 Q CA -0.519 55.279 55.803 -0.008 0.000 0.904 48 Q CB 1.205 29.938 28.738 -0.007 0.000 1.238 48 Q HN 1.106 nan 8.270 nan 0.000 0.469 49 A N 1.252 124.077 122.820 0.010 0.000 2.540 49 A HA 0.075 4.394 4.320 -0.001 0.000 0.239 49 A C 0.114 177.715 177.584 0.028 0.000 1.061 49 A CA 0.207 52.257 52.037 0.022 0.000 0.758 49 A CB -0.342 18.676 19.000 0.029 0.000 0.991 49 A HN 0.939 nan 8.150 nan 0.000 0.502 50 E N -0.868 119.358 120.200 0.043 0.000 3.286 50 E HA -0.196 4.153 4.350 -0.001 0.000 0.292 50 E C 0.174 176.796 176.600 0.036 0.000 0.928 50 E CA 1.492 57.927 56.400 0.058 0.000 0.982 50 E CB -1.332 28.399 29.700 0.052 0.000 1.500 50 E HN 0.874 nan 8.360 nan 0.000 0.441 51 E N 0.163 120.369 120.200 0.011 0.000 2.366 51 E HA 0.143 4.492 4.350 -0.001 0.000 0.266 51 E C -0.013 176.563 176.600 -0.040 0.000 1.051 51 E CA -0.423 55.967 56.400 -0.017 0.000 0.884 51 E CB 0.559 30.242 29.700 -0.029 0.000 1.006 51 E HN 0.026 nan 8.360 nan 0.000 0.417 52 M N 4.263 123.821 119.600 -0.071 0.000 2.162 52 M HA 0.144 4.623 4.480 -0.001 0.000 0.356 52 M C -0.078 176.138 176.300 -0.140 0.000 1.303 52 M CA -0.212 55.007 55.300 -0.134 0.000 1.116 52 M CB 0.601 33.109 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.259 121.067 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.845 4.120 -0.001 0.000 0.313 53 V C -0.845 175.096 176.094 -0.253 0.000 1.162 53 V CA -0.850 61.323 62.300 -0.211 0.000 1.048 53 V CB 2.367 34.044 31.823 -0.243 0.000 1.092 53 V HN 0.887 nan 8.190 nan 0.000 0.447 54 E N 0.313 120.346 120.200 -0.280 0.000 2.256 54 E HA 0.524 4.873 4.350 -0.001 0.000 0.268 54 E C -1.806 174.635 176.600 -0.265 0.000 0.877 54 E CA -0.666 55.612 56.400 -0.203 0.000 0.757 54 E CB 1.898 31.542 29.700 -0.094 0.000 1.183 54 E HN 0.623 nan 8.360 nan 0.000 0.418 55 F N 1.609 121.554 119.950 -0.008 0.000 2.382 55 F HA 0.117 4.643 4.527 -0.002 0.000 0.331 55 F C 1.908 177.711 175.800 0.005 0.000 1.121 55 F CA -0.167 57.836 58.000 0.005 0.000 1.183 55 F CB 1.241 40.250 39.000 0.015 0.000 1.207 55 F HN 0.519 nan 8.300 nan 0.000 0.555 56 S N 0.642 116.448 115.700 0.177 0.000 2.414 56 S HA -0.335 4.134 4.470 -0.001 0.000 0.238 56 S C 2.211 176.871 174.600 0.099 0.000 1.055 56 S CA 2.071 60.333 58.200 0.102 0.000 1.174 56 S CB -1.132 62.121 63.200 0.089 0.000 1.087 56 S HN 0.813 nan 8.310 nan 0.000 0.428 57 S N 1.243 117.008 115.700 0.108 0.000 2.462 57 S HA -0.038 4.431 4.470 -0.001 0.000 0.251 57 S C 1.707 176.353 174.600 0.077 0.000 1.018 57 S CA 1.599 59.846 58.200 0.078 0.000 0.988 57 S CB -1.047 62.190 63.200 0.061 0.000 0.766 57 S HN 1.439 nan 8.310 nan 0.000 0.504 58 G N -0.464 108.396 108.800 0.101 0.000 2.218 58 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G C -0.157 174.805 174.900 0.104 0.000 0.994 58 G CA -0.103 45.044 45.100 0.079 0.000 0.637 58 G HN 0.474 nan 8.290 nan 0.000 0.505 59 L N 1.704 123.018 121.223 0.151 0.000 2.456 59 L HA 0.497 4.837 4.340 -0.001 0.000 0.272 59 L C 0.976 178.005 176.870 0.266 0.000 1.189 59 L CA 0.596 55.545 54.840 0.181 0.000 0.846 59 L CB 0.657 42.796 42.059 0.132 0.000 1.111 59 L HN 0.262 nan 8.230 nan 0.000 0.475 60 K N 0.868 121.365 120.400 0.163 0.000 2.109 60 K HA 0.818 5.137 4.320 -0.001 0.000 0.243 60 K C -0.069 176.614 176.600 0.140 0.000 1.006 60 K CA -0.495 55.803 56.287 0.017 0.000 0.917 60 K CB 1.190 33.533 32.500 -0.261 0.000 1.081 60 K HN 0.746 nan 8.250 nan 0.000 0.468 61 G N 0.208 108.985 108.800 -0.038 0.000 2.673 61 G HA2 0.488 4.447 3.960 -0.001 0.000 0.292 61 G HA3 0.488 4.447 3.960 -0.001 0.000 0.292 61 G C -1.892 172.990 174.900 -0.031 0.000 1.450 61 G CA -0.826 44.398 45.100 0.207 0.000 0.837 61 G HN 0.500 nan 8.290 nan 0.000 0.505 62 M N 1.140 120.856 119.600 0.193 0.000 2.321 62 M HA 0.610 5.089 4.480 -0.001 0.000 0.315 62 M C -0.557 175.829 176.300 0.143 0.000 1.052 62 M CA -0.521 54.868 55.300 0.149 0.000 0.936 62 M CB 1.836 34.640 32.600 0.341 0.000 1.639 62 M HN 0.319 nan 8.290 nan 0.000 0.433 63 S N 5.916 121.658 115.700 0.071 0.000 2.423 63 S HA 0.261 4.731 4.470 -0.001 0.000 0.302 63 S C 0.863 175.504 174.600 0.068 0.000 1.143 63 S CA -0.480 57.755 58.200 0.058 0.000 1.080 63 S CB -0.036 63.174 63.200 0.017 0.000 1.081 63 S HN 0.751 nan 8.310 nan 0.000 0.522 64 L N 2.136 123.404 121.223 0.075 0.000 2.463 64 L HA 0.224 4.563 4.340 -0.001 0.000 0.219 64 L C 0.103 177.000 176.870 0.045 0.000 1.088 64 L CA 0.455 55.333 54.840 0.064 0.000 0.849 64 L CB 0.006 42.097 42.059 0.054 0.000 1.012 64 L HN 0.400 nan 8.230 nan 0.000 0.468 65 N N 0.561 119.283 118.700 0.036 0.000 2.483 65 N HA 0.386 5.125 4.740 -0.001 0.000 0.267 65 N C -1.094 174.429 175.510 0.022 0.000 0.998 65 N CA -0.112 52.954 53.050 0.026 0.000 0.918 65 N CB 1.504 40.003 38.487 0.019 0.000 1.215 65 N HN -0.033 nan 8.380 nan 0.000 0.500 66 L N 1.996 123.230 121.223 0.018 0.000 2.272 66 L HA 0.440 4.779 4.340 -0.001 0.000 0.284 66 L C 0.337 177.211 176.870 0.006 0.000 1.045 66 L CA -0.367 54.478 54.840 0.008 0.000 0.842 66 L CB 0.780 42.842 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.492 123.694 120.200 0.003 0.000 2.232 67 E HA 0.308 4.657 4.350 -0.001 0.000 0.264 67 E C -1.594 175.003 176.600 -0.004 0.000 0.973 67 E CA -1.752 54.650 56.400 0.003 0.000 0.849 67 E CB 1.728 31.434 29.700 0.009 0.000 1.198 67 E HN 0.271 nan 8.360 nan 0.000 0.407 68 P HA -0.208 nan 4.420 nan 0.000 0.215 68 P C 0.449 177.741 177.300 -0.012 0.000 1.163 68 P CA 1.509 64.605 63.100 -0.006 0.000 0.894 68 P CB 0.107 31.808 31.700 0.001 0.000 0.791 69 D N -1.866 118.535 120.400 0.001 0.000 2.368 69 D HA 0.059 4.699 4.640 -0.001 0.000 0.218 69 D C 0.030 176.337 176.300 0.011 0.000 1.112 69 D CA -0.167 53.839 54.000 0.009 0.000 0.834 69 D CB -0.674 40.150 40.800 0.039 0.000 0.953 69 D HN 0.365 nan 8.370 nan 0.000 0.505 70 N N -1.832 116.866 118.700 -0.003 0.000 3.533 70 N HA 0.226 4.965 4.740 -0.001 0.000 0.229 70 N C -2.046 173.467 175.510 0.005 0.000 1.418 70 N CA -0.950 52.105 53.050 0.008 0.000 0.880 70 N CB 1.146 39.662 38.487 0.049 0.000 1.415 70 N HN -0.207 nan 8.380 nan 0.000 0.491 71 V N -0.041 119.882 119.914 0.014 0.000 2.357 71 V HA 0.768 4.887 4.120 -0.001 0.000 0.284 71 V C 0.656 176.777 176.094 0.045 0.000 1.018 71 V CA -0.511 61.800 62.300 0.018 0.000 0.841 71 V CB 1.033 32.857 31.823 0.001 0.000 0.991 71 V HN 0.891 nan 8.190 nan 0.000 0.437 72 G N 4.067 112.893 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.443 3.960 -0.001 0.000 0.305 72 G HA3 0.483 4.443 3.960 -0.001 0.000 0.305 72 G C -0.510 174.439 174.900 0.081 0.000 1.072 72 G CA -0.154 44.981 45.100 0.058 0.000 1.016 72 G HN 0.518 nan 8.290 nan 0.000 0.418 73 V N 3.360 123.351 119.914 0.128 0.000 2.472 73 V HA 0.199 4.319 4.120 -0.001 0.000 0.290 73 V C 0.279 176.499 176.094 0.210 0.000 1.037 73 V CA -0.674 61.736 62.300 0.183 0.000 0.908 73 V CB 1.944 33.920 31.823 0.254 0.000 0.985 73 V HN 0.428 nan 8.190 nan 0.000 0.454 74 V N 6.273 126.319 119.914 0.220 0.000 2.356 74 V HA 0.151 4.270 4.120 -0.001 0.000 0.258 74 V C 0.216 176.516 176.094 0.342 0.000 1.065 74 V CA -0.190 62.238 62.300 0.214 0.000 0.935 74 V CB 1.352 33.288 31.823 0.187 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.708 126.762 119.914 0.235 0.000 2.521 75 V HA 0.124 4.243 4.120 -0.001 0.000 0.286 75 V C 0.429 176.704 176.094 0.302 0.000 1.034 75 V CA 0.012 62.455 62.300 0.238 0.000 1.045 75 V CB 0.383 32.178 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.872 124.878 119.950 0.093 0.000 2.733 76 F HA 0.588 5.114 4.527 -0.002 0.000 0.344 76 F C 1.069 176.897 175.800 0.047 0.000 1.179 76 F CA 0.299 58.347 58.000 0.080 0.000 1.316 76 F CB -0.129 38.932 39.000 0.102 0.000 1.577 76 F HN 0.732 nan 8.300 nan 0.000 0.591 77 G N 0.323 109.199 108.800 0.127 0.000 2.351 77 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.279 77 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.279 77 G C -1.475 173.432 174.900 0.013 0.000 1.297 77 G CA -1.210 43.931 45.100 0.068 0.000 0.886 77 G HN 0.062 nan 8.290 nan 0.000 0.493 78 N N 1.552 120.252 118.700 0.001 0.000 2.452 78 N HA 0.167 4.906 4.740 -0.001 0.000 0.266 78 N C 0.675 176.154 175.510 -0.052 0.000 1.175 78 N CA 0.230 53.268 53.050 -0.020 0.000 0.945 78 N CB 0.796 39.277 38.487 -0.011 0.000 1.063 78 N HN 0.505 nan 8.380 nan 0.000 0.472 79 D N 2.792 123.153 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.561 4.640 -0.001 0.000 0.243 79 D C 0.929 177.182 176.300 -0.079 0.000 1.184 79 D CA 0.045 53.982 54.000 -0.103 0.000 0.853 79 D CB 0.165 40.901 40.800 -0.107 0.000 0.944 79 D HN 0.660 nan 8.370 nan 0.000 0.501 80 K N 1.061 121.428 120.400 -0.055 0.000 2.262 80 K HA -0.024 4.295 4.320 -0.001 0.000 0.200 80 K C 1.489 178.065 176.600 -0.039 0.000 1.049 80 K CA 0.043 56.308 56.287 -0.038 0.000 0.979 80 K CB -0.030 32.456 32.500 -0.023 0.000 0.773 80 K HN 0.163 nan 8.250 nan 0.000 0.474 81 L N 1.970 123.164 121.223 -0.049 0.000 2.660 81 L HA 0.289 4.628 4.340 -0.001 0.000 0.238 81 L C 0.222 177.056 176.870 -0.061 0.000 1.161 81 L CA 0.028 54.844 54.840 -0.040 0.000 0.937 81 L CB -0.209 41.835 42.059 -0.025 0.000 1.122 81 L HN 0.115 nan 8.230 nan 0.000 0.435 82 I N -0.233 120.281 120.570 -0.094 0.000 2.533 82 I HA 0.348 4.517 4.170 -0.001 0.000 0.290 82 I C -0.348 175.738 176.117 -0.052 0.000 1.056 82 I CA -0.519 60.715 61.300 -0.109 0.000 1.057 82 I CB 2.181 40.000 38.000 -0.302 0.000 1.240 82 I HN -0.006 nan 8.210 nan 0.000 0.423 83 K N 3.623 124.020 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.707 4.320 -0.001 0.000 0.245 83 K C -0.738 175.878 176.600 0.027 0.000 1.017 83 K CA -0.982 55.308 56.287 0.005 0.000 0.852 83 K CB 2.313 34.818 32.500 0.008 0.000 1.311 83 K HN 0.545 nan 8.250 nan 0.000 0.452 84 E N 0.102 120.314 120.200 0.020 0.000 2.442 84 E HA -0.046 4.303 4.350 -0.001 0.000 0.262 84 E C 0.569 177.189 176.600 0.034 0.000 1.004 84 E CA 1.454 57.871 56.400 0.028 0.000 0.928 84 E CB 0.200 29.909 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.011 112.837 108.800 0.044 0.000 2.284 85 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G C -0.020 174.916 174.900 0.061 0.000 1.012 85 G CA 0.223 45.348 45.100 0.041 0.000 0.618 85 G HN 0.685 nan 8.290 nan 0.000 0.521 86 D N 0.688 121.137 120.400 0.081 0.000 2.548 86 D HA 0.300 4.940 4.640 -0.001 0.000 0.231 86 D C 0.807 177.174 176.300 0.112 0.000 1.142 86 D CA 0.337 54.401 54.000 0.107 0.000 0.866 86 D CB 0.424 41.316 40.800 0.153 0.000 1.190 86 D HN 0.310 nan 8.370 nan 0.000 0.469 87 I N 1.923 122.542 120.570 0.083 0.000 2.395 87 I HA 0.096 4.265 4.170 -0.001 0.000 0.289 87 I C -0.082 176.043 176.117 0.013 0.000 1.023 87 I CA -0.290 61.037 61.300 0.046 0.000 1.350 87 I CB 1.205 39.221 38.000 0.025 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.753 126.637 119.914 -0.050 0.000 2.513 88 V HA 0.516 4.635 4.120 -0.001 0.000 0.299 88 V C -0.112 175.889 176.094 -0.156 0.000 1.035 88 V CA -0.946 61.232 62.300 -0.203 0.000 0.889 88 V CB 1.466 33.078 31.823 -0.352 0.000 0.988 88 V HN 0.626 nan 8.190 nan 0.000 0.440 89 K N 3.406 123.705 120.400 -0.169 0.000 2.328 89 K HA 0.692 5.012 4.320 -0.001 0.000 0.246 89 K C -0.629 175.892 176.600 -0.132 0.000 0.955 89 K CA -0.953 55.265 56.287 -0.115 0.000 0.817 89 K CB 2.353 34.807 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.148 120.589 120.500 -0.098 0.000 2.615 90 R HA 0.112 4.451 4.340 -0.001 0.000 0.270 90 R C 1.005 177.257 176.300 -0.080 0.000 1.081 90 R CA -0.032 56.013 56.100 -0.092 0.000 1.154 90 R CB 0.590 30.849 30.300 -0.068 0.000 1.063 90 R HN 0.893 nan 8.270 nan 0.000 0.519 91 T N -2.708 111.800 114.554 -0.078 0.000 3.000 91 T HA 0.165 4.514 4.350 -0.001 0.000 0.248 91 T C 1.444 176.114 174.700 -0.049 0.000 1.034 91 T CA 0.502 62.563 62.100 -0.065 0.000 1.060 91 T CB 0.414 69.239 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.823 110.593 108.800 -0.049 0.000 2.304 92 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.252 92 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.252 92 G C 0.409 175.289 174.900 -0.033 0.000 1.014 92 G CA 0.069 45.147 45.100 -0.037 0.000 0.619 92 G HN 1.336 nan 8.290 nan 0.000 0.525 93 A N 0.824 123.621 122.820 -0.037 0.000 2.327 93 A HA 0.725 5.045 4.320 -0.001 0.000 0.283 93 A C 0.551 178.115 177.584 -0.034 0.000 1.127 93 A CA 0.114 52.131 52.037 -0.033 0.000 0.810 93 A CB 0.546 19.524 19.000 -0.035 0.000 1.066 93 A HN 1.466 nan 8.150 nan 0.000 0.492 94 I N 2.102 122.658 120.570 -0.024 0.000 2.783 94 I HA 0.474 4.643 4.170 -0.001 0.000 0.312 94 I C -0.292 175.815 176.117 -0.018 0.000 0.988 94 I CA -0.664 60.625 61.300 -0.020 0.000 1.182 94 I CB 1.612 39.604 38.000 -0.013 0.000 1.368 94 I HN 0.358 nan 8.210 nan 0.000 0.511 95 V N 5.717 125.626 119.914 -0.009 0.000 2.475 95 V HA 0.029 4.148 4.120 -0.001 0.000 0.292 95 V C 0.008 176.105 176.094 0.005 0.000 1.003 95 V CA 0.194 62.496 62.300 0.003 0.000 1.120 95 V CB -0.706 31.140 31.823 0.038 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.629 125.033 120.400 0.006 0.000 2.523 96 D HA 0.721 5.361 4.640 -0.001 0.000 0.236 96 D C -0.571 175.737 176.300 0.013 0.000 1.094 96 D CA -0.570 53.434 54.000 0.008 0.000 0.942 96 D CB 2.428 43.229 40.800 0.000 0.000 1.447 96 D HN 0.454 nan 8.370 nan 0.000 0.479 97 V N -4.692 115.229 119.914 0.012 0.000 3.130 97 V HA 0.702 4.821 4.120 -0.001 0.000 0.310 97 V C -2.913 173.176 176.094 -0.009 0.000 1.158 97 V CA -2.292 60.015 62.300 0.010 0.000 1.029 97 V CB 1.621 33.458 31.823 0.024 0.000 1.057 97 V HN 0.496 nan 8.190 nan 0.000 0.436 98 P HA 0.349 nan 4.420 nan 0.000 0.270 98 P C -0.609 176.643 177.300 -0.080 0.000 1.227 98 P CA 0.203 63.274 63.100 -0.048 0.000 0.788 98 P CB 0.957 32.630 31.700 -0.045 0.000 0.926 99 V N -0.626 119.196 119.914 -0.153 0.000 3.264 99 V HA 0.698 4.818 4.120 -0.001 0.000 0.294 99 V C -0.120 175.626 176.094 -0.581 0.000 1.429 99 V CA 0.473 62.609 62.300 -0.274 0.000 1.053 99 V CB 1.680 33.401 31.823 -0.170 0.000 1.128 99 V HN 1.077 nan 8.190 nan 0.000 0.452 100 G N 2.193 110.310 108.800 -1.138 0.000 2.592 100 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G C 0.188 174.555 174.900 -0.887 0.000 1.291 100 G CA 0.151 44.094 45.100 -1.927 0.000 0.891 100 G HN 0.871 nan 8.290 nan 0.000 0.544 101 E N 0.586 120.424 120.200 -0.603 0.000 2.273 101 E HA -0.193 4.157 4.350 -0.001 0.000 0.198 101 E C 2.115 178.670 176.600 -0.075 0.000 1.002 101 E CA 1.627 57.933 56.400 -0.155 0.000 0.828 101 E CB -0.079 29.597 29.700 -0.040 0.000 0.747 101 E HN 0.745 nan 8.360 nan 0.000 0.491 102 E N 1.076 121.203 120.200 -0.122 0.000 2.274 102 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 102 E C 2.156 178.735 176.600 -0.034 0.000 0.996 102 E CA 0.409 56.774 56.400 -0.058 0.000 0.840 102 E CB -0.321 29.342 29.700 -0.063 0.000 0.772 102 E HN 0.349 nan 8.360 nan 0.000 0.491 103 L N 0.946 122.140 121.223 -0.047 0.000 2.362 103 L HA 0.035 4.374 4.340 -0.001 0.000 0.219 103 L C 1.346 178.240 176.870 0.040 0.000 1.134 103 L CA 0.260 55.097 54.840 -0.005 0.000 0.807 103 L CB -0.633 41.422 42.059 -0.008 0.000 0.927 103 L HN 0.068 nan 8.230 nan 0.000 0.447 104 L N 0.563 121.829 121.223 0.072 0.000 2.573 104 L HA -0.026 4.314 4.340 -0.001 0.000 0.290 104 L C 1.446 178.349 176.870 0.056 0.000 1.247 104 L CA 0.780 55.679 54.840 0.099 0.000 0.876 104 L CB -0.322 41.825 42.059 0.146 0.000 1.123 104 L HN 0.393 nan 8.230 nan 0.000 0.505 105 G N 1.540 110.360 108.800 0.034 0.000 2.203 105 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.263 105 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.263 105 G C 0.201 175.102 174.900 0.003 0.000 1.012 105 G CA -0.061 45.040 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.213 119.295 120.500 0.013 0.000 2.832 106 R HA 0.724 5.063 4.340 -0.001 0.000 0.271 106 R C -0.366 175.944 176.300 0.016 0.000 0.996 106 R CA -1.000 55.107 56.100 0.012 0.000 0.977 106 R CB 1.858 32.166 30.300 0.014 0.000 1.168 106 R HN 0.243 nan 8.270 nan 0.000 0.482 107 V N 2.424 122.347 119.914 0.015 0.000 2.326 107 V HA 0.353 4.472 4.120 -0.001 0.000 0.281 107 V C -0.035 176.075 176.094 0.026 0.000 1.015 107 V CA -0.822 61.492 62.300 0.022 0.000 0.823 107 V CB 1.350 33.183 31.823 0.016 0.000 1.009 107 V HN 0.543 nan 8.190 nan 0.000 0.436 108 V N 1.158 121.092 119.914 0.033 0.000 2.815 108 V HA 0.789 4.908 4.120 -0.001 0.000 0.314 108 V C -0.045 176.073 176.094 0.040 0.000 1.064 108 V CA -0.823 61.497 62.300 0.033 0.000 0.952 108 V CB 1.970 33.812 31.823 0.031 0.000 1.020 108 V HN 0.753 nan 8.190 nan 0.000 0.439 109 D N 3.066 123.490 120.400 0.041 0.000 2.398 109 D HA 0.376 5.015 4.640 -0.001 0.000 0.264 109 D C 1.251 177.581 176.300 0.050 0.000 1.263 109 D CA 0.119 54.147 54.000 0.046 0.000 1.037 109 D CB 0.819 41.650 40.800 0.050 0.000 1.101 109 D HN 0.773 nan 8.370 nan 0.000 0.551 110 A N -0.866 121.985 122.820 0.053 0.000 2.121 110 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 110 A C 2.146 179.774 177.584 0.075 0.000 1.154 110 A CA 0.730 52.799 52.037 0.054 0.000 0.679 110 A CB -0.728 18.297 19.000 0.042 0.000 0.795 110 A HN 0.519 nan 8.150 nan 0.000 0.458 111 L N -1.511 119.764 121.223 0.088 0.000 2.628 111 L HA 0.245 4.585 4.340 -0.001 0.000 0.229 111 L C 1.597 178.502 176.870 0.058 0.000 1.137 111 L CA 0.488 55.383 54.840 0.091 0.000 0.909 111 L CB -0.055 42.078 42.059 0.122 0.000 1.137 111 L HN 0.545 nan 8.230 nan 0.000 0.470 112 G N -0.265 108.563 108.800 0.047 0.000 2.176 112 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G C 0.227 175.142 174.900 0.025 0.000 0.979 112 G CA -0.304 44.814 45.100 0.030 0.000 0.641 112 G HN 0.381 nan 8.290 nan 0.000 0.530 113 N N 1.175 119.895 118.700 0.034 0.000 2.518 113 N HA 0.477 5.216 4.740 -0.001 0.000 0.266 113 N C 0.606 176.132 175.510 0.026 0.000 1.196 113 N CA 0.739 53.806 53.050 0.029 0.000 0.947 113 N CB 1.165 39.674 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.071 124.902 122.820 0.019 0.000 2.409 114 A HA 0.281 4.600 4.320 -0.001 0.000 0.262 114 A C 1.277 178.872 177.584 0.019 0.000 1.113 114 A CA -0.342 51.705 52.037 0.017 0.000 0.790 114 A CB -0.390 18.616 19.000 0.011 0.000 1.046 114 A HN 0.808 nan 8.150 nan 0.000 0.496 115 I N -0.511 120.070 120.570 0.020 0.000 4.147 115 I HA 0.245 4.414 4.170 -0.001 0.000 0.329 115 I C 0.376 176.502 176.117 0.015 0.000 1.424 115 I CA -0.001 61.311 61.300 0.020 0.000 1.127 115 I CB 0.459 38.474 38.000 0.025 0.000 1.128 115 I HN 0.454 nan 8.210 nan 0.000 0.417 116 D N 1.271 121.678 120.400 0.011 0.000 2.328 116 D HA 0.115 4.754 4.640 -0.001 0.000 0.221 116 D C 1.640 177.942 176.300 0.004 0.000 1.072 116 D CA 0.362 54.366 54.000 0.006 0.000 0.850 116 D CB -0.114 40.687 40.800 0.003 0.000 0.922 116 D HN 0.409 nan 8.370 nan 0.000 0.516 117 G N 1.123 109.927 108.800 0.007 0.000 2.296 117 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.282 117 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.282 117 G C 0.746 175.648 174.900 0.004 0.000 1.014 117 G CA 0.594 45.697 45.100 0.006 0.000 0.812 117 G HN 0.477 nan 8.290 nan 0.000 0.508 118 K N 0.088 120.490 120.400 0.003 0.000 2.446 118 K HA 0.446 4.766 4.320 -0.001 0.000 0.203 118 K C 1.281 177.882 176.600 0.002 0.000 1.027 118 K CA 0.406 56.694 56.287 0.002 0.000 1.166 118 K CB 0.174 32.674 32.500 0.001 0.000 0.869 118 K HN 1.362 nan 8.250 nan 0.000 0.504 119 G N 2.632 111.434 108.800 0.003 0.000 2.662 119 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G C -2.924 171.978 174.900 0.002 0.000 1.271 119 G CA -1.297 43.804 45.100 0.003 0.000 0.816 119 G HN -0.033 nan 8.290 nan 0.000 0.608 120 P HA 0.366 nan 4.420 nan 0.000 0.269 120 P C 0.711 178.009 177.300 -0.005 0.000 1.209 120 P CA -0.244 62.856 63.100 -0.001 0.000 0.776 120 P CB 0.473 32.172 31.700 -0.002 0.000 0.876 121 I N -0.934 119.631 120.570 -0.007 0.000 2.416 121 I HA 0.271 4.440 4.170 -0.001 0.000 0.288 121 I C 0.890 176.994 176.117 -0.022 0.000 1.051 121 I CA -0.299 60.992 61.300 -0.015 0.000 1.375 121 I CB 0.083 38.072 38.000 -0.018 0.000 1.407 121 I HN 0.407 nan 8.210 nan 0.000 0.516 122 G N 5.386 114.171 108.800 -0.025 0.000 3.455 122 G HA2 0.170 4.129 3.960 -0.001 0.000 0.250 122 G HA3 0.170 4.129 3.960 -0.001 0.000 0.250 122 G C 0.477 175.351 174.900 -0.044 0.000 1.071 122 G CA -0.361 44.723 45.100 -0.028 0.000 1.812 122 G HN 0.848 nan 8.290 nan 0.000 0.643 123 S N -0.437 115.232 115.700 -0.052 0.000 2.481 123 S HA 0.320 4.789 4.470 -0.001 0.000 0.276 123 S C 0.982 175.545 174.600 -0.062 0.000 1.247 123 S CA -0.611 57.544 58.200 -0.075 0.000 1.053 123 S CB 2.318 65.470 63.200 -0.081 0.000 0.925 123 S HN 0.376 nan 8.310 nan 0.000 0.491 124 K N 2.649 123.007 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.556 4.320 -0.001 0.000 0.208 124 K C 1.066 177.641 176.600 -0.043 0.000 1.038 124 K CA 0.987 57.247 56.287 -0.045 0.000 0.943 124 K CB -0.312 32.167 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.658 124.445 122.820 -0.055 0.000 2.371 125 A HA 0.269 4.588 4.320 -0.001 0.000 0.257 125 A C -0.502 177.052 177.584 -0.050 0.000 1.089 125 A CA -0.038 51.979 52.037 -0.033 0.000 0.794 125 A CB 0.285 19.287 19.000 0.002 0.000 1.029 125 A HN 0.228 nan 8.150 nan 0.000 0.488 126 R N 1.098 121.584 120.500 -0.023 0.000 2.513 126 R HA 0.458 4.797 4.340 -0.001 0.000 0.301 126 R C -0.476 175.822 176.300 -0.004 0.000 0.968 126 R CA -0.594 55.493 56.100 -0.021 0.000 0.872 126 R CB 2.365 32.655 30.300 -0.016 0.000 1.177 126 R HN 0.869 nan 8.270 nan 0.000 0.444 127 R N 1.526 122.027 120.500 0.001 0.000 2.787 127 R HA 0.397 4.736 4.340 -0.001 0.000 0.271 127 R C -0.477 175.831 176.300 0.014 0.000 0.993 127 R CA -0.739 55.371 56.100 0.016 0.000 0.993 127 R CB 1.470 31.789 30.300 0.031 0.000 1.155 127 R HN 0.443 nan 8.270 nan 0.000 0.486 128 R N 1.584 122.093 120.500 0.014 0.000 2.390 128 R HA 0.064 4.403 4.340 -0.001 0.000 0.291 128 R C 1.469 177.777 176.300 0.013 0.000 1.070 128 R CA -0.096 56.009 56.100 0.008 0.000 1.014 128 R CB 1.288 31.588 30.300 0.000 0.000 1.007 128 R HN 0.632 nan 8.270 nan 0.000 0.466 129 V N 1.333 121.254 119.914 0.012 0.000 2.295 129 V HA -0.002 4.117 4.120 -0.001 0.000 0.246 129 V C 0.947 177.041 176.094 0.000 0.000 1.049 129 V CA 1.533 63.850 62.300 0.027 0.000 1.024 129 V CB -0.582 31.261 31.823 0.032 0.000 0.648 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 G N 1.057 109.811 108.800 -0.077 0.000 2.428 130 G HA2 0.639 4.598 3.960 -0.001 0.000 0.320 130 G HA3 0.639 4.598 3.960 -0.001 0.000 0.320 130 G C -0.904 173.957 174.900 -0.066 0.000 1.098 130 G CA -0.424 44.592 45.100 -0.141 0.000 0.984 130 G HN 0.383 nan 8.290 nan 0.000 0.444 131 L N 0.982 122.190 121.223 -0.025 0.000 2.301 131 L HA 0.563 4.902 4.340 -0.001 0.000 0.264 131 L C 0.346 177.213 176.870 -0.006 0.000 1.016 131 L CA -1.208 53.625 54.840 -0.011 0.000 0.821 131 L CB 2.433 44.495 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.769 121.168 120.400 -0.001 0.000 2.237 132 K HA 0.533 4.853 4.320 -0.001 0.000 0.270 132 K C -0.174 176.426 176.600 0.001 0.000 1.015 132 K CA -0.276 56.015 56.287 0.005 0.000 0.949 132 K CB 1.247 33.754 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.423 127.246 122.820 0.005 0.000 2.448 133 A HA 0.232 4.551 4.320 -0.001 0.000 0.239 133 A C -2.122 175.442 177.584 -0.033 0.000 1.080 133 A CA -1.042 50.991 52.037 -0.007 0.000 0.779 133 A CB -0.532 18.469 19.000 0.001 0.000 1.026 133 A HN 0.620 nan 8.150 nan 0.000 0.499 134 P HA 0.166 nan 4.420 nan 0.000 0.268 134 P C 0.651 177.894 177.300 -0.095 0.000 1.204 134 P CA 0.505 63.532 63.100 -0.122 0.000 0.768 134 P CB 0.295 31.890 31.700 -0.175 0.000 0.842 135 G N 1.938 110.679 108.800 -0.098 0.000 2.527 135 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G C 0.984 175.850 174.900 -0.056 0.000 1.374 135 G CA -0.536 44.529 45.100 -0.057 0.000 1.053 135 G HN 0.586 nan 8.290 nan 0.000 0.539 136 I N -0.900 119.653 120.570 -0.028 0.000 2.500 136 I HA -0.055 4.114 4.170 -0.001 0.000 0.252 136 I C 2.044 178.154 176.117 -0.012 0.000 1.142 136 I CA 0.543 61.835 61.300 -0.014 0.000 1.451 136 I CB 0.021 38.022 38.000 0.001 0.000 1.093 136 I HN 0.214 nan 8.210 nan 0.000 0.430 137 I N 2.073 122.638 120.570 -0.008 0.000 2.333 137 I HA -0.050 4.119 4.170 -0.001 0.000 0.246 137 I C -0.416 175.715 176.117 0.025 0.000 1.106 137 I CA 1.089 62.402 61.300 0.022 0.000 1.411 137 I CB -2.909 35.122 38.000 0.052 0.000 1.082 137 I HN 0.203 nan 8.210 nan 0.000 0.420 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.337 177.562 177.300 -0.125 0.000 1.184 138 P CA 0.832 63.790 63.100 -0.236 0.000 0.760 138 P CB 0.032 31.198 31.700 -0.889 0.000 0.884 139 R N -0.308 120.166 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.157 4.340 -0.001 0.000 0.228 139 R C -0.307 176.008 176.300 0.024 0.000 1.421 139 R CA -1.071 55.020 56.100 -0.015 0.000 1.073 139 R CB 1.048 31.332 30.300 -0.027 0.000 1.568 139 R HN -0.098 nan 8.270 nan 0.000 0.514 140 I N -2.057 118.527 120.570 0.023 0.000 2.882 140 I HA 0.212 4.381 4.170 -0.001 0.000 0.298 140 I C -0.984 175.145 176.117 0.021 0.000 1.462 140 I CA -0.331 60.985 61.300 0.028 0.000 1.000 140 I CB 2.513 40.536 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.706 118.416 115.700 0.017 0.000 2.599 141 S HA 0.123 4.592 4.470 -0.001 0.000 0.303 141 S C -0.090 174.516 174.600 0.011 0.000 1.267 141 S CA -0.265 57.942 58.200 0.012 0.000 1.055 141 S CB 0.201 63.407 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.284 125.201 119.914 0.007 0.000 2.485 142 V HA 0.085 4.205 4.120 -0.001 0.000 0.287 142 V C 1.148 177.238 176.094 -0.006 0.000 1.022 142 V CA 0.897 63.198 62.300 0.002 0.000 1.067 142 V CB 0.567 32.388 31.823 -0.003 0.000 0.967 142 V HN 0.832 nan 8.190 nan 0.000 0.479 143 R N 2.137 122.631 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.558 4.340 -0.001 0.000 0.237 143 R C 0.080 176.354 176.300 -0.043 0.000 0.917 143 R CA -0.195 55.893 56.100 -0.021 0.000 1.002 143 R CB 0.736 31.030 30.300 -0.010 0.000 1.428 143 R HN 0.684 nan 8.270 nan 0.000 0.603 144 E N 2.592 122.754 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.531 4.350 -0.001 0.000 0.283 144 E C -2.473 174.049 176.600 -0.130 0.000 1.030 144 E CA -2.287 54.044 56.400 -0.114 0.000 0.836 144 E CB 0.859 30.453 29.700 -0.177 0.000 1.068 144 E HN -0.107 nan 8.360 nan 0.000 0.401 145 P HA -0.063 nan 4.420 nan 0.000 0.267 145 P C -0.647 176.541 177.300 -0.187 0.000 1.200 145 P CA 0.204 63.224 63.100 -0.132 0.000 0.772 145 P CB 0.452 32.078 31.700 -0.122 0.000 0.855 146 M N 3.292 122.805 119.600 -0.145 0.000 2.018 146 M HA 0.169 4.649 4.480 -0.001 0.000 0.311 146 M C -0.728 175.507 176.300 -0.110 0.000 0.928 146 M CA -0.294 54.914 55.300 -0.153 0.000 0.911 146 M CB 0.676 33.211 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.106 121.833 119.800 -0.121 0.000 2.243 147 Q HA 0.340 4.680 4.340 -0.001 0.000 0.252 147 Q C 0.956 176.968 176.000 0.019 0.000 0.909 147 Q CA -0.190 55.597 55.803 -0.026 0.000 0.922 147 Q CB 1.415 30.169 28.738 0.028 0.000 1.215 147 Q HN 0.760 nan 8.270 nan 0.000 0.427 148 T N -1.977 112.588 114.554 0.018 0.000 3.010 148 T HA 0.200 4.549 4.350 -0.001 0.000 0.252 148 T C 1.244 175.965 174.700 0.035 0.000 1.047 148 T CA 0.672 62.785 62.100 0.022 0.000 1.140 148 T CB 0.107 68.977 68.868 0.003 0.000 0.885 148 T HN 0.913 nan 8.240 nan 0.000 0.464 149 G N 1.350 110.171 108.800 0.035 0.000 2.179 149 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.220 149 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.220 149 G C -0.044 174.864 174.900 0.013 0.000 0.990 149 G CA -0.149 44.968 45.100 0.029 0.000 0.646 149 G HN 0.630 nan 8.290 nan 0.000 0.517 150 I N 2.482 123.057 120.570 0.009 0.000 2.304 150 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 150 I C 1.784 177.906 176.117 0.008 0.000 1.018 150 I CA -0.715 60.586 61.300 0.003 0.000 1.260 150 I CB 1.289 39.287 38.000 -0.005 0.000 1.390 150 I HN 0.173 nan 8.210 nan 0.000 0.475 151 K N 5.716 126.123 120.400 0.011 0.000 2.009 151 K HA -0.212 4.108 4.320 -0.001 0.000 0.210 151 K C 1.897 178.505 176.600 0.013 0.000 1.049 151 K CA 1.611 57.906 56.287 0.015 0.000 0.929 151 K CB -0.587 31.925 32.500 0.019 0.000 0.714 151 K HN 0.652 nan 8.250 nan 0.000 0.440 152 A N 1.964 124.791 122.820 0.012 0.000 1.903 152 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 152 A C 2.589 180.181 177.584 0.014 0.000 1.191 152 A CA 2.259 54.305 52.037 0.015 0.000 0.638 152 A CB -0.977 18.034 19.000 0.018 0.000 0.823 152 A HN 0.164 nan 8.150 nan 0.000 0.451 153 V N 0.385 120.304 119.914 0.009 0.000 2.244 153 V HA -0.226 3.893 4.120 -0.001 0.000 0.244 153 V C 2.201 178.297 176.094 0.003 0.000 1.042 153 V CA 2.245 64.547 62.300 0.004 0.000 1.006 153 V CB -0.953 30.869 31.823 -0.003 0.000 0.641 153 V HN 0.489 nan 8.190 nan 0.000 0.446 154 D N 0.525 120.927 120.400 0.004 0.000 2.228 154 D HA -0.125 4.514 4.640 -0.001 0.000 0.203 154 D C 2.319 178.623 176.300 0.007 0.000 0.988 154 D CA 1.853 55.855 54.000 0.004 0.000 0.864 154 D CB -0.113 40.694 40.800 0.010 0.000 0.928 154 D HN 0.636 nan 8.370 nan 0.000 0.469 155 S N -1.256 114.450 115.700 0.011 0.000 2.492 155 S HA 0.136 4.606 4.470 -0.001 0.000 0.218 155 S C 1.731 176.338 174.600 0.011 0.000 1.016 155 S CA -0.101 58.106 58.200 0.012 0.000 0.916 155 S CB 0.248 63.457 63.200 0.015 0.000 0.791 155 S HN 0.183 nan 8.310 nan 0.000 0.513 156 L N 0.763 121.994 121.223 0.013 0.000 2.920 156 L HA 0.437 4.776 4.340 -0.001 0.000 0.257 156 L C -0.405 176.475 176.870 0.017 0.000 1.150 156 L CA -0.047 54.803 54.840 0.016 0.000 0.959 156 L CB 1.423 43.495 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.056 119.865 119.914 0.011 0.000 2.719 157 V HA 0.206 4.325 4.120 -0.001 0.000 0.330 157 V C -2.487 173.605 176.094 -0.003 0.000 1.224 157 V CA -1.035 61.270 62.300 0.008 0.000 1.314 157 V CB 0.256 32.085 31.823 0.009 0.000 1.416 157 V HN -0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.101 nan 4.420 nan 0.000 0.261 158 P C -0.550 176.738 177.300 -0.020 0.000 1.173 158 P CA 0.620 63.713 63.100 -0.012 0.000 0.760 158 P CB 0.936 32.629 31.700 -0.011 0.000 0.783 159 I N 2.444 122.997 120.570 -0.029 0.000 2.441 159 I HA 0.513 4.682 4.170 -0.001 0.000 0.295 159 I C 1.061 177.150 176.117 -0.047 0.000 0.994 159 I CA -0.611 60.668 61.300 -0.036 0.000 1.144 159 I CB 1.108 39.084 38.000 -0.040 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 5.286 114.060 108.800 -0.043 0.000 2.489 160 G HA2 0.572 4.531 3.960 -0.001 0.000 0.327 160 G HA3 0.572 4.531 3.960 -0.001 0.000 0.327 160 G C -0.428 174.443 174.900 -0.049 0.000 1.189 160 G CA -0.935 44.134 45.100 -0.052 0.000 0.962 160 G HN 0.512 nan 8.290 nan 0.000 0.486 161 R N -0.123 120.343 120.500 -0.057 0.000 2.347 161 R HA 0.429 4.768 4.340 -0.001 0.000 0.304 161 R C 1.073 177.382 176.300 0.015 0.000 1.072 161 R CA 0.813 56.898 56.100 -0.025 0.000 0.980 161 R CB 0.925 31.203 30.300 -0.037 0.000 0.986 161 R HN 1.131 nan 8.270 nan 0.000 0.448 162 G N 1.710 110.523 108.800 0.022 0.000 2.238 162 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G C 0.239 175.142 174.900 0.006 0.000 0.996 162 G CA -0.059 45.054 45.100 0.022 0.000 0.632 162 G HN 0.591 nan 8.290 nan 0.000 0.503 163 Q N 0.306 120.103 119.800 -0.004 0.000 2.417 163 Q HA 0.600 4.939 4.340 -0.001 0.000 0.241 163 Q C -0.156 175.836 176.000 -0.014 0.000 1.008 163 Q CA -0.159 55.638 55.803 -0.010 0.000 0.901 163 Q CB 0.320 29.048 28.738 -0.018 0.000 1.259 163 Q HN 0.310 nan 8.270 nan 0.000 0.489 164 R N 2.333 122.824 120.500 -0.015 0.000 2.352 164 R HA 0.262 4.601 4.340 -0.001 0.000 0.304 164 R C -1.467 174.813 176.300 -0.034 0.000 1.104 164 R CA -0.472 55.616 56.100 -0.019 0.000 0.991 164 R CB 1.315 31.606 30.300 -0.015 0.000 1.140 164 R HN 0.457 nan 8.270 nan 0.000 0.540 165 E N 2.558 122.731 120.200 -0.045 0.000 2.145 165 E HA 0.314 4.664 4.350 -0.001 0.000 0.270 165 E C -1.261 175.288 176.600 -0.084 0.000 0.906 165 E CA -0.860 55.503 56.400 -0.061 0.000 0.761 165 E CB 0.965 30.632 29.700 -0.055 0.000 1.116 165 E HN 0.388 nan 8.360 nan 0.000 0.408 166 L N 5.295 126.448 121.223 -0.115 0.000 2.350 166 L HA 0.499 4.839 4.340 -0.001 0.000 0.275 166 L C -0.910 175.852 176.870 -0.180 0.000 1.099 166 L CA -0.128 54.626 54.840 -0.144 0.000 0.808 166 L CB 0.685 42.642 42.059 -0.169 0.000 1.149 166 L HN 0.650 nan 8.230 nan 0.000 0.442 167 I N 6.615 127.096 120.570 -0.148 0.000 2.312 167 I HA 0.397 4.566 4.170 -0.001 0.000 0.290 167 I C -0.314 175.707 176.117 -0.159 0.000 1.008 167 I CA -0.109 61.105 61.300 -0.145 0.000 1.226 167 I CB 1.259 39.205 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.277 125.720 120.570 -0.212 0.000 2.730 168 I HA 0.927 5.097 4.170 -0.001 0.000 0.298 168 I C -0.230 175.855 176.117 -0.053 0.000 1.089 168 I CA -0.036 61.172 61.300 -0.153 0.000 1.041 168 I CB 2.056 39.909 38.000 -0.246 0.000 1.235 168 I HN 0.679 nan 8.210 nan 0.000 0.423 169 G N 4.749 113.550 108.800 0.002 0.000 2.322 169 G HA2 0.198 4.157 3.960 -0.001 0.000 0.295 169 G HA3 0.198 4.157 3.960 -0.001 0.000 0.295 169 G C -1.906 173.008 174.900 0.024 0.000 1.369 169 G CA -0.708 44.416 45.100 0.041 0.000 0.821 169 G HN 0.509 nan 8.290 nan 0.000 0.536 170 D N 0.034 120.447 120.400 0.022 0.000 2.414 170 D HA 0.339 4.978 4.640 -0.001 0.000 0.259 170 D C 1.131 177.422 176.300 -0.016 0.000 1.269 170 D CA -0.157 53.851 54.000 0.013 0.000 1.028 170 D CB 0.410 41.222 40.800 0.021 0.000 1.093 170 D HN 0.670 nan 8.370 nan 0.000 0.545 171 R N 0.106 120.599 120.500 -0.011 0.000 2.734 171 R HA 0.031 4.370 4.340 -0.001 0.000 0.266 171 R C -0.101 176.157 176.300 -0.069 0.000 1.044 171 R CA -0.328 55.757 56.100 -0.024 0.000 1.128 171 R CB 0.049 30.347 30.300 -0.005 0.000 1.010 171 R HN 0.170 nan 8.270 nan 0.000 0.461 172 Q N 0.255 120.001 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.177 4.340 -0.001 0.000 0.332 172 Q C -0.086 175.702 176.000 -0.353 0.000 1.355 172 Q CA 1.659 57.360 55.803 -0.171 0.000 0.947 172 Q CB -1.404 27.259 28.738 -0.125 0.000 1.189 172 Q HN 0.990 nan 8.270 nan 0.000 0.418 173 T N -4.986 109.386 114.554 -0.305 0.000 2.985 173 T HA 0.431 4.780 4.350 -0.001 0.000 0.254 173 T C 1.194 175.724 174.700 -0.282 0.000 1.021 173 T CA 0.518 62.384 62.100 -0.390 0.000 0.957 173 T CB 1.186 69.956 68.868 -0.164 0.000 1.047 173 T HN 0.653 nan 8.240 nan 0.000 0.511 174 G N 1.682 110.378 108.800 -0.173 0.000 2.183 174 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.168 174 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.168 174 G C 0.769 175.651 174.900 -0.029 0.000 1.008 174 G CA 0.124 45.195 45.100 -0.048 0.000 0.677 174 G HN 0.417 nan 8.290 nan 0.000 0.498 175 K N 0.095 120.472 120.400 -0.038 0.000 1.987 175 K HA -0.090 4.229 4.320 -0.001 0.000 0.216 175 K C 2.535 179.132 176.600 -0.005 0.000 1.051 175 K CA 2.145 58.417 56.287 -0.026 0.000 0.942 175 K CB -0.424 32.057 32.500 -0.031 0.000 0.722 175 K HN 0.286 nan 8.250 nan 0.000 0.444 176 T N 0.906 115.470 114.554 0.016 0.000 2.833 176 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 176 T C 2.052 176.768 174.700 0.028 0.000 1.054 176 T CA 1.409 63.547 62.100 0.064 0.000 1.135 176 T CB -0.188 68.740 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.484 117.175 115.700 -0.015 0.000 2.359 177 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 177 S C 2.037 176.598 174.600 -0.065 0.000 1.035 177 S CA 0.833 58.989 58.200 -0.073 0.000 1.018 177 S CB -0.396 62.742 63.200 -0.103 0.000 0.876 177 S HN 0.317 nan 8.310 nan 0.000 0.448 178 I N 2.392 122.941 120.570 -0.036 0.000 2.113 178 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 178 I C 2.766 178.876 176.117 -0.011 0.000 1.064 178 I CA 1.580 62.864 61.300 -0.027 0.000 1.320 178 I CB -1.979 36.008 38.000 -0.021 0.000 1.028 178 I HN 0.258 nan 8.210 nan 0.000 0.406 179 A N 1.301 124.130 122.820 0.014 0.000 1.865 179 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 179 A C 2.305 179.917 177.584 0.048 0.000 1.191 179 A CA 1.673 53.738 52.037 0.046 0.000 0.623 179 A CB -0.741 18.327 19.000 0.112 0.000 0.826 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.446 121.033 120.570 0.028 0.000 2.091 180 I HA -0.251 3.918 4.170 -0.001 0.000 0.239 180 I C 2.040 178.161 176.117 0.006 0.000 1.061 180 I CA 2.058 63.359 61.300 0.001 0.000 1.317 180 I CB -1.775 36.215 38.000 -0.017 0.000 1.031 180 I HN 0.297 nan 8.210 nan 0.000 0.401 181 D N 0.590 120.968 120.400 -0.037 0.000 2.149 181 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 181 D C 2.181 178.493 176.300 0.020 0.000 1.001 181 D CA 1.776 55.760 54.000 -0.026 0.000 0.849 181 D CB -0.347 40.415 40.800 -0.063 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.624 115.191 114.554 0.021 0.000 2.684 182 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 182 T C 2.161 176.906 174.700 0.075 0.000 1.036 182 T CA 0.827 62.950 62.100 0.038 0.000 1.148 182 T CB -0.277 68.604 68.868 0.022 0.000 0.863 182 T HN 0.181 nan 8.240 nan 0.000 0.436 183 I N 0.888 121.511 120.570 0.089 0.000 2.142 183 I HA -0.168 4.001 4.170 -0.001 0.000 0.240 183 I C 2.344 178.602 176.117 0.236 0.000 1.078 183 I CA 1.049 62.443 61.300 0.157 0.000 1.343 183 I CB -0.512 37.549 38.000 0.101 0.000 1.046 183 I HN 0.194 nan 8.210 nan 0.000 0.405 184 I N 1.102 121.759 120.570 0.145 0.000 2.113 184 I HA -0.375 3.794 4.170 -0.001 0.000 0.242 184 I C 2.341 178.558 176.117 0.166 0.000 1.064 184 I CA 2.045 63.438 61.300 0.155 0.000 1.320 184 I CB -1.725 36.335 38.000 0.101 0.000 1.028 184 I HN 0.383 nan 8.210 nan 0.000 0.406 185 N N 0.981 119.741 118.700 0.101 0.000 2.184 185 N HA -0.243 4.497 4.740 -0.001 0.000 0.190 185 N C 1.591 177.121 175.510 0.033 0.000 1.011 185 N CA 1.277 54.360 53.050 0.056 0.000 0.867 185 N CB -0.022 38.511 38.487 0.077 0.000 0.993 185 N HN 0.306 nan 8.380 nan 0.000 0.433 186 Q N 0.107 119.946 119.800 0.065 0.000 2.541 186 Q HA -0.054 4.285 4.340 -0.001 0.000 0.215 186 Q C 1.487 177.279 176.000 -0.345 0.000 0.977 186 Q CA 0.502 56.290 55.803 -0.024 0.000 0.934 186 Q CB -0.125 28.492 28.738 -0.203 0.000 0.988 186 Q HN 0.534 nan 8.270 nan 0.000 0.521 187 K N 1.145 121.396 120.400 -0.247 0.000 2.155 187 K HA -0.081 4.238 4.320 -0.001 0.000 0.203 187 K C 1.734 178.160 176.600 -0.290 0.000 1.052 187 K CA 0.543 56.704 56.287 -0.211 0.000 0.948 187 K CB 0.209 32.752 32.500 0.072 0.000 0.728 187 K HN 0.150 nan 8.250 nan 0.000 0.448 188 R N -0.415 119.806 120.500 -0.465 0.000 2.117 188 R HA -0.156 4.184 4.340 -0.001 0.000 0.243 188 R C 1.877 177.763 176.300 -0.689 0.000 1.143 188 R CA 1.759 57.468 56.100 -0.652 0.000 0.968 188 R CB -0.436 29.276 30.300 -0.981 0.000 0.863 188 R HN 0.206 nan 8.270 nan 0.000 0.444 189 F N 0.296 120.142 119.950 -0.174 0.000 2.530 189 F HA 0.183 4.710 4.527 -0.001 0.000 0.292 189 F C 1.744 177.417 175.800 -0.211 0.000 1.109 189 F CA -0.029 57.865 58.000 -0.178 0.000 1.450 189 F CB -0.278 38.604 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.240 118.839 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.643 4.740 -0.001 0.000 0.182 190 N C 0.746 176.202 175.510 -0.090 0.000 1.076 190 N CA 0.886 53.806 53.050 -0.216 0.000 0.908 190 N CB -0.222 37.964 38.487 -0.502 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.504 119.845 120.400 -0.084 0.000 2.360 191 D HA 0.107 4.747 4.640 -0.001 0.000 0.210 191 D C 1.088 177.370 176.300 -0.030 0.000 1.047 191 D CA 0.122 54.100 54.000 -0.037 0.000 0.854 191 D CB 0.236 41.010 40.800 -0.043 0.000 0.936 191 D HN 0.089 nan 8.370 nan 0.000 0.514 192 G N -0.158 108.620 108.800 -0.036 0.000 2.616 192 G HA2 0.268 4.227 3.960 -0.001 0.000 0.268 192 G HA3 0.268 4.227 3.960 -0.001 0.000 0.268 192 G C 1.058 175.964 174.900 0.009 0.000 1.213 192 G CA 0.009 45.101 45.100 -0.013 0.000 0.926 192 G HN 0.055 nan 8.290 nan 0.000 0.523 193 T N -1.250 113.313 114.554 0.015 0.000 3.010 193 T HA 0.022 4.371 4.350 -0.001 0.000 0.252 193 T C 0.873 175.591 174.700 0.029 0.000 1.047 193 T CA 0.441 62.555 62.100 0.022 0.000 1.140 193 T CB -0.029 68.849 68.868 0.016 0.000 0.885 193 T HN 0.449 nan 8.240 nan 0.000 0.464 194 D N 2.335 122.752 120.400 0.029 0.000 2.368 194 D HA 0.033 4.672 4.640 -0.001 0.000 0.268 194 D C 0.613 176.933 176.300 0.033 0.000 1.298 194 D CA 0.112 54.129 54.000 0.028 0.000 0.938 194 D CB 0.598 41.414 40.800 0.026 0.000 1.101 194 D HN 0.310 nan 8.370 nan 0.000 0.509 195 E N 2.129 122.357 120.200 0.046 0.000 2.511 195 E HA -0.038 4.312 4.350 -0.001 0.000 0.196 195 E C 0.987 177.635 176.600 0.081 0.000 1.066 195 E CA 0.458 56.900 56.400 0.069 0.000 0.871 195 E CB 0.322 30.076 29.700 0.090 0.000 0.863 195 E HN 0.336 nan 8.360 nan 0.000 0.520 196 K N -0.306 120.125 120.400 0.052 0.000 2.387 196 K HA 0.136 4.455 4.320 -0.001 0.000 0.198 196 K C 1.012 177.570 176.600 -0.070 0.000 1.022 196 K CA 0.198 56.522 56.287 0.063 0.000 1.128 196 K CB 0.522 33.054 32.500 0.053 0.000 0.853 196 K HN -0.106 nan 8.250 nan 0.000 0.523 197 K N 0.242 120.587 120.400 -0.092 0.000 2.380 197 K HA 0.117 4.436 4.320 -0.001 0.000 0.198 197 K C -0.265 176.190 176.600 -0.241 0.000 1.070 197 K CA 0.051 56.199 56.287 -0.231 0.000 1.040 197 K CB 0.774 33.176 32.500 -0.164 0.000 0.903 197 K HN -0.018 nan 8.250 nan 0.000 0.549 198 K N 1.535 121.856 120.400 -0.131 0.000 2.382 198 K HA 0.130 4.449 4.320 -0.001 0.000 0.275 198 K C -0.551 175.849 176.600 -0.334 0.000 1.009 198 K CA -0.139 56.007 56.287 -0.235 0.000 0.970 198 K CB 0.597 32.958 32.500 -0.233 0.000 0.934 198 K HN -0.155 nan 8.250 nan 0.000 0.479 199 L N 3.957 124.893 121.223 -0.478 0.000 2.415 199 L HA 0.284 4.623 4.340 -0.001 0.000 0.268 199 L C -1.549 174.997 176.870 -0.540 0.000 0.984 199 L CA -0.510 54.095 54.840 -0.392 0.000 0.853 199 L CB 0.633 42.540 42.059 -0.255 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.109 123.275 120.300 -0.224 0.000 2.411 200 Y HA 0.342 4.892 4.550 -0.001 0.000 0.333 200 Y C 0.719 176.518 175.900 -0.167 0.000 1.186 200 Y CA 0.120 58.047 58.100 -0.288 0.000 1.381 200 Y CB 0.663 38.568 38.460 -0.925 0.000 1.273 200 Y HN 0.507 nan 8.280 nan 0.000 0.546 201 C N 4.331 123.698 119.300 0.113 0.000 2.391 201 C HA 0.700 5.159 4.460 -0.001 0.000 0.339 201 C C -0.137 174.890 174.990 0.062 0.000 1.205 201 C CA -0.960 58.108 59.018 0.084 0.000 1.937 201 C CB 0.130 27.964 27.740 0.158 0.000 2.341 201 C HN 0.595 nan 8.230 nan 0.000 0.516 202 I N 2.360 122.948 120.570 0.030 0.000 2.447 202 I HA 0.309 4.478 4.170 -0.001 0.000 0.287 202 I C -0.879 175.250 176.117 0.020 0.000 1.023 202 I CA -0.259 61.058 61.300 0.029 0.000 1.083 202 I CB 1.039 39.041 38.000 0.004 0.000 1.245 202 I HN 0.618 nan 8.210 nan 0.000 0.434 203 Y N 6.927 127.191 120.300 -0.061 0.000 2.328 203 Y HA 0.703 5.252 4.550 -0.001 0.000 0.333 203 Y C -0.997 174.872 175.900 -0.051 0.000 0.958 203 Y CA -0.853 57.204 58.100 -0.071 0.000 1.167 203 Y CB 1.249 39.681 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.890 125.539 119.914 -0.441 0.000 2.394 204 V HA 0.729 4.848 4.120 -0.001 0.000 0.282 204 V C -0.106 175.761 176.094 -0.377 0.000 1.031 204 V CA -0.636 61.516 62.300 -0.247 0.000 0.881 204 V CB 0.975 32.739 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.947 129.707 122.820 -0.100 0.000 2.267 205 A HA 0.861 5.181 4.320 -0.001 0.000 0.315 205 A C -0.606 176.980 177.584 0.004 0.000 1.297 205 A CA -0.414 51.620 52.037 -0.005 0.000 0.865 205 A CB 0.236 19.357 19.000 0.201 0.000 1.165 205 A HN 0.803 nan 8.150 nan 0.000 0.513 206 I N 2.063 122.623 120.570 -0.015 0.000 2.389 206 I HA 0.569 4.738 4.170 -0.001 0.000 0.288 206 I C 1.166 177.293 176.117 0.015 0.000 0.999 206 I CA -0.101 61.199 61.300 -0.001 0.000 1.129 206 I CB 1.761 39.750 38.000 -0.018 0.000 1.288 206 I HN 0.942 nan 8.210 nan 0.000 0.444 207 G N 3.751 112.566 108.800 0.026 0.000 2.184 207 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.264 207 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.264 207 G C 0.279 175.199 174.900 0.033 0.000 0.975 207 G CA -0.130 44.988 45.100 0.030 0.000 0.642 207 G HN 0.639 nan 8.290 nan 0.000 0.536 208 Q N 0.357 120.181 119.800 0.040 0.000 2.443 208 Q HA 0.444 4.783 4.340 -0.001 0.000 0.232 208 Q C 0.858 176.882 176.000 0.041 0.000 1.026 208 Q CA 0.248 56.079 55.803 0.048 0.000 0.924 208 Q CB 0.479 29.261 28.738 0.072 0.000 1.256 208 Q HN 0.649 nan 8.270 nan 0.000 0.519 209 K N 0.500 120.922 120.400 0.037 0.000 2.118 209 K HA 0.237 4.557 4.320 -0.001 0.000 0.264 209 K C 0.349 176.968 176.600 0.031 0.000 1.000 209 K CA -0.553 55.752 56.287 0.030 0.000 0.929 209 K CB 1.067 33.582 32.500 0.025 0.000 1.021 209 K HN 0.419 nan 8.250 nan 0.000 0.463 210 R N 0.913 121.429 120.500 0.026 0.000 2.127 210 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 210 R C 1.932 178.243 176.300 0.019 0.000 1.134 210 R CA 1.822 57.937 56.100 0.024 0.000 0.975 210 R CB -0.505 29.808 30.300 0.020 0.000 0.865 210 R HN 0.773 nan 8.270 nan 0.000 0.447 211 S N 0.444 116.153 115.700 0.017 0.000 2.399 211 S HA -0.117 4.352 4.470 -0.001 0.000 0.231 211 S C 1.916 176.522 174.600 0.011 0.000 1.022 211 S CA 1.711 59.918 58.200 0.012 0.000 0.983 211 S CB -0.361 62.846 63.200 0.012 0.000 0.803 211 S HN 0.313 nan 8.310 nan 0.000 0.480 212 T N 2.448 117.013 114.554 0.019 0.000 2.777 212 T HA -0.023 4.326 4.350 -0.001 0.000 0.266 212 T C 1.996 176.702 174.700 0.010 0.000 1.040 212 T CA 1.303 63.416 62.100 0.021 0.000 1.141 212 T CB -0.452 68.438 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.843 121.769 119.914 0.020 0.000 2.307 213 V HA -0.119 4.000 4.120 -0.001 0.000 0.245 213 V C 2.935 179.017 176.094 -0.021 0.000 1.045 213 V CA 1.547 63.852 62.300 0.008 0.000 1.024 213 V CB -1.337 30.513 31.823 0.046 0.000 0.651 213 V HN 0.505 nan 8.190 nan 0.000 0.449 214 A N -0.558 122.257 122.820 -0.009 0.000 1.892 214 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 214 A C 2.215 179.781 177.584 -0.030 0.000 1.188 214 A CA 1.905 53.932 52.037 -0.017 0.000 0.631 214 A CB -0.528 18.468 19.000 -0.008 0.000 0.822 214 A HN 0.546 nan 8.150 nan 0.000 0.447 215 Q N -0.875 118.910 119.800 -0.024 0.000 2.124 215 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 215 Q C 2.138 178.108 176.000 -0.050 0.000 0.977 215 Q CA 1.014 56.798 55.803 -0.031 0.000 0.850 215 Q CB -0.512 28.217 28.738 -0.014 0.000 0.901 215 Q HN 0.622 nan 8.270 nan 0.000 0.429 216 L N 1.146 122.330 121.223 -0.066 0.000 1.976 216 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 216 L C 2.499 179.288 176.870 -0.135 0.000 1.071 216 L CA 1.971 56.737 54.840 -0.123 0.000 0.746 216 L CB -1.206 40.734 42.059 -0.198 0.000 0.890 216 L HN 0.186 nan 8.230 nan 0.000 0.432 217 V N -1.597 118.248 119.914 -0.116 0.000 2.469 217 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 217 V C 2.663 178.706 176.094 -0.086 0.000 1.064 217 V CA 2.039 64.278 62.300 -0.102 0.000 1.066 217 V CB -0.994 30.787 31.823 -0.070 0.000 0.667 217 V HN 0.473 nan 8.190 nan 0.000 0.461 218 K N 0.618 120.974 120.400 -0.072 0.000 1.985 218 K HA -0.275 4.044 4.320 -0.001 0.000 0.210 218 K C 2.476 179.027 176.600 -0.083 0.000 1.047 218 K CA 2.139 58.385 56.287 -0.069 0.000 0.932 218 K CB -0.332 32.131 32.500 -0.061 0.000 0.716 218 K HN 0.409 nan 8.250 nan 0.000 0.439 219 R N 1.165 121.610 120.500 -0.091 0.000 2.103 219 R HA -0.087 4.252 4.340 -0.001 0.000 0.242 219 R C 2.288 178.540 176.300 -0.080 0.000 1.142 219 R CA 1.467 57.505 56.100 -0.104 0.000 0.960 219 R CB -0.686 29.569 30.300 -0.075 0.000 0.858 219 R HN 0.314 nan 8.270 nan 0.000 0.439 220 L N -0.959 120.211 121.223 -0.087 0.000 2.109 220 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 220 L C 2.132 178.938 176.870 -0.107 0.000 1.086 220 L CA 1.718 56.496 54.840 -0.103 0.000 0.760 220 L CB -0.532 41.441 42.059 -0.143 0.000 0.910 220 L HN 0.261 nan 8.230 nan 0.000 0.437 221 T N -0.991 113.506 114.554 -0.094 0.000 2.708 221 T HA -0.183 4.166 4.350 -0.001 0.000 0.266 221 T C 1.402 176.061 174.700 -0.068 0.000 1.037 221 T CA 1.491 63.543 62.100 -0.080 0.000 1.146 221 T CB -0.286 68.543 68.868 -0.064 0.000 0.865 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 D N 1.440 121.799 120.400 -0.069 0.000 2.228 222 D HA -0.033 4.606 4.640 -0.001 0.000 0.203 222 D C 1.796 178.064 176.300 -0.053 0.000 0.988 222 D CA 1.011 54.972 54.000 -0.064 0.000 0.864 222 D CB -0.223 40.526 40.800 -0.086 0.000 0.928 222 D HN 0.471 nan 8.370 nan 0.000 0.469 223 A N -0.110 122.680 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.441 4.320 -0.001 0.000 0.224 223 A C 0.335 177.906 177.584 -0.021 0.000 1.227 223 A CA 0.232 52.255 52.037 -0.024 0.000 0.885 223 A CB 0.276 19.278 19.000 0.003 0.000 0.933 223 A HN 0.007 nan 8.150 nan 0.000 0.506 224 D N -2.282 118.089 120.400 -0.048 0.000 2.716 224 D HA -0.182 4.458 4.640 -0.001 0.000 0.239 224 D C 0.592 176.837 176.300 -0.092 0.000 1.125 224 D CA 1.015 54.987 54.000 -0.045 0.000 0.681 224 D CB -1.259 39.541 40.800 -0.000 0.000 1.070 224 D HN 0.526 nan 8.370 nan 0.000 0.432 225 A N -0.169 122.505 122.820 -0.244 0.000 2.419 225 A HA 0.195 4.515 4.320 -0.001 0.000 0.233 225 A C 1.983 179.106 177.584 -0.768 0.000 1.217 225 A CA 0.086 51.710 52.037 -0.688 0.000 0.944 225 A CB 0.114 18.840 19.000 -0.458 0.000 1.025 225 A HN 0.281 nan 8.150 nan 0.000 0.524 226 M N 1.224 120.607 119.600 -0.361 0.000 2.296 226 M HA -0.125 4.354 4.480 -0.001 0.000 0.265 226 M C 2.022 178.208 176.300 -0.190 0.000 1.064 226 M CA 1.661 56.817 55.300 -0.239 0.000 1.109 226 M CB -0.893 31.630 32.600 -0.129 0.000 1.396 226 M HN 0.685 nan 8.290 nan 0.000 0.430 227 K N 0.610 120.911 120.400 -0.165 0.000 2.074 227 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 227 K C 1.138 177.787 176.600 0.081 0.000 1.048 227 K CA 1.924 58.207 56.287 -0.008 0.000 0.926 227 K CB -0.981 31.560 32.500 0.068 0.000 0.713 227 K HN 0.502 nan 8.250 nan 0.000 0.444 228 Y N 0.617 120.960 120.300 0.073 0.000 2.625 228 Y HA 0.464 5.013 4.550 -0.001 0.000 0.285 228 Y C -0.377 175.578 175.900 0.091 0.000 1.168 228 Y CA -0.931 57.239 58.100 0.117 0.000 1.250 228 Y CB 0.061 38.540 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.014 116.543 114.554 -0.041 0.000 2.893 229 T HA 0.627 4.976 4.350 -0.001 0.000 0.291 229 T C -0.661 174.057 174.700 0.031 0.000 1.028 229 T CA -0.529 61.564 62.100 -0.012 0.000 0.995 229 T CB 1.958 70.748 68.868 -0.131 0.000 1.051 229 T HN 0.142 nan 8.240 nan 0.000 0.470 230 I N 1.835 122.443 120.570 0.064 0.000 2.474 230 I HA 0.548 4.717 4.170 -0.001 0.000 0.294 230 I C -0.778 175.384 176.117 0.074 0.000 1.005 230 I CA -1.088 60.255 61.300 0.071 0.000 1.113 230 I CB 2.080 40.138 38.000 0.097 0.000 1.289 230 I HN 0.228 nan 8.210 nan 0.000 0.436 231 V N 6.686 126.639 119.914 0.066 0.000 2.378 231 V HA 0.332 4.451 4.120 -0.001 0.000 0.288 231 V C -0.136 176.010 176.094 0.087 0.000 1.016 231 V CA -0.679 61.681 62.300 0.100 0.000 0.840 231 V CB 1.780 33.652 31.823 0.082 0.000 0.994 231 V HN 0.390 nan 8.190 nan 0.000 0.431 232 V N 3.920 123.886 119.914 0.087 0.000 2.407 232 V HA 0.534 4.653 4.120 -0.001 0.000 0.278 232 V C 0.330 176.463 176.094 0.065 0.000 1.037 232 V CA -0.105 62.231 62.300 0.059 0.000 0.900 232 V CB 1.670 33.519 31.823 0.042 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.459 233 S N 3.887 119.622 115.700 0.059 0.000 2.659 233 S HA 0.734 5.204 4.470 -0.001 0.000 0.312 233 S C -0.257 174.369 174.600 0.044 0.000 1.114 233 S CA -0.240 57.997 58.200 0.061 0.000 1.063 233 S CB 1.056 64.297 63.200 0.069 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.434 127.275 122.820 0.034 0.000 2.511 234 A HA 0.607 4.927 4.320 -0.001 0.000 0.340 234 A C 0.533 178.133 177.584 0.028 0.000 1.396 234 A CA -0.610 51.442 52.037 0.026 0.000 0.887 234 A CB -0.160 18.848 19.000 0.015 0.000 1.145 234 A HN 0.856 nan 8.150 nan 0.000 0.497 235 T N -1.240 113.332 114.554 0.031 0.000 2.824 235 T HA 0.551 4.901 4.350 -0.001 0.000 0.277 235 T C 1.623 176.338 174.700 0.025 0.000 0.975 235 T CA 0.017 62.136 62.100 0.031 0.000 0.966 235 T CB 1.108 69.996 68.868 0.034 0.000 1.054 235 T HN 1.153 nan 8.240 nan 0.000 0.533 236 A N 1.315 124.150 122.820 0.026 0.000 1.929 236 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 236 A C 2.458 180.052 177.584 0.017 0.000 1.211 236 A CA 2.888 54.938 52.037 0.022 0.000 0.657 236 A CB -1.663 17.351 19.000 0.022 0.000 0.827 236 A HN 1.373 nan 8.150 nan 0.000 0.462 237 S N -0.963 114.747 115.700 0.016 0.000 2.593 237 S HA 0.109 4.578 4.470 -0.001 0.000 0.217 237 S C -0.151 174.456 174.600 0.011 0.000 0.966 237 S CA -0.059 58.148 58.200 0.013 0.000 0.914 237 S CB -0.237 62.971 63.200 0.013 0.000 0.776 237 S HN 0.420 nan 8.310 nan 0.000 0.523 238 D N 2.808 123.215 120.400 0.011 0.000 2.256 238 D HA 0.550 5.189 4.640 -0.001 0.000 0.250 238 D C 0.395 176.689 176.300 -0.009 0.000 1.093 238 D CA 0.033 54.037 54.000 0.006 0.000 0.882 238 D CB 1.495 42.300 40.800 0.009 0.000 1.185 238 D HN 0.422 nan 8.370 nan 0.000 0.437 239 A N 1.866 124.673 122.820 -0.022 0.000 2.613 239 A HA 0.194 4.514 4.320 -0.001 0.000 0.230 239 A C 1.570 179.117 177.584 -0.061 0.000 1.051 239 A CA 0.604 52.615 52.037 -0.044 0.000 0.754 239 A CB 0.073 19.036 19.000 -0.061 0.000 0.979 239 A HN 0.684 nan 8.150 nan 0.000 0.510 240 A N 3.690 126.483 122.820 -0.045 0.000 1.896 240 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 240 A C 0.219 177.797 177.584 -0.010 0.000 1.206 240 A CA 2.238 54.264 52.037 -0.018 0.000 0.647 240 A CB -1.892 17.096 19.000 -0.020 0.000 0.828 240 A HN 0.716 nan 8.150 nan 0.000 0.455 241 P HA -0.157 nan 4.420 nan 0.000 0.216 241 P C 1.455 178.654 177.300 -0.169 0.000 1.150 241 P CA 1.226 64.250 63.100 -0.126 0.000 0.843 241 P CB -0.259 31.148 31.700 -0.488 0.000 0.787 242 L N -0.724 120.329 121.223 -0.283 0.000 2.072 242 L HA -0.136 4.204 4.340 -0.001 0.000 0.205 242 L C 2.890 179.741 176.870 -0.031 0.000 1.079 242 L CA 1.434 56.185 54.840 -0.148 0.000 0.752 242 L CB -1.246 40.754 42.059 -0.099 0.000 0.906 242 L HN -0.055 nan 8.230 nan 0.000 0.436 243 Q N -0.886 118.915 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 243 Q C 2.142 178.193 176.000 0.084 0.000 0.977 243 Q CA 1.830 57.656 55.803 0.038 0.000 0.850 243 Q CB -0.425 28.341 28.738 0.047 0.000 0.901 243 Q HN 0.524 nan 8.270 nan 0.000 0.429 244 Y N 1.545 121.850 120.300 0.008 0.000 2.089 244 Y HA -0.225 4.324 4.550 -0.001 0.000 0.282 244 Y C 1.837 177.803 175.900 0.109 0.000 1.139 244 Y CA 1.392 59.534 58.100 0.070 0.000 1.123 244 Y CB -0.587 37.935 38.460 0.103 0.000 0.980 244 Y HN -0.032 nan 8.280 nan 0.000 0.493 245 L N 0.220 121.254 121.223 -0.315 0.000 2.017 245 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 245 L C 2.875 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.248 55.926 54.840 -0.269 0.000 0.745 245 L CB -1.235 40.765 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.803 123.588 122.820 -0.058 0.000 1.920 246 A HA -0.276 4.043 4.320 -0.001 0.000 0.229 246 A C -0.070 177.481 177.584 -0.056 0.000 1.516 246 A CA 2.907 54.924 52.037 -0.034 0.000 0.714 246 A CB -2.373 16.616 19.000 -0.018 0.000 0.845 246 A HN 0.370 nan 8.150 nan 0.000 0.493 247 P HA -0.129 nan 4.420 nan 0.000 0.218 247 P C 0.998 178.138 177.300 -0.267 0.000 1.149 247 P CA 1.499 64.460 63.100 -0.230 0.000 0.817 247 P CB -0.271 31.034 31.700 -0.659 0.000 0.785 248 Y N 1.207 121.434 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.434 4.550 -0.001 0.000 0.292 248 Y C 2.970 178.852 175.900 -0.030 0.000 1.123 248 Y CA 1.729 59.768 58.100 -0.101 0.000 1.142 248 Y CB -1.526 36.825 38.460 -0.180 0.000 1.006 248 Y HN 0.039 nan 8.280 nan 0.000 0.518 249 S N -0.536 115.232 115.700 0.114 0.000 2.419 249 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 249 S C 2.247 176.892 174.600 0.074 0.000 1.016 249 S CA 1.156 59.404 58.200 0.081 0.000 0.974 249 S CB -1.105 62.133 63.200 0.064 0.000 0.786 249 S HN 0.453 nan 8.310 nan 0.000 0.492 250 G N 0.061 108.905 108.800 0.073 0.000 2.430 250 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 250 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 250 G C 1.638 176.595 174.900 0.095 0.000 1.146 250 G CA 0.597 45.741 45.100 0.074 0.000 0.793 250 G HN 0.602 nan 8.290 nan 0.000 0.537 251 C N 0.513 119.891 119.300 0.130 0.000 2.432 251 C HA -0.032 4.427 4.460 -0.001 0.000 0.277 251 C C 3.260 178.322 174.990 0.120 0.000 1.249 251 C CA 1.718 60.821 59.018 0.142 0.000 1.725 251 C CB -0.911 26.919 27.740 0.150 0.000 2.028 251 C HN 0.371 nan 8.230 nan 0.000 0.477 252 S N 0.324 116.088 115.700 0.108 0.000 2.359 252 S HA -0.268 4.201 4.470 -0.001 0.000 0.223 252 S C 1.754 176.416 174.600 0.104 0.000 1.039 252 S CA 2.292 60.547 58.200 0.092 0.000 1.042 252 S CB -0.468 62.774 63.200 0.070 0.000 0.915 252 S HN 0.649 nan 8.310 nan 0.000 0.439 253 M N 0.609 120.267 119.600 0.097 0.000 2.108 253 M HA -0.147 4.333 4.480 -0.001 0.000 0.257 253 M C 2.240 178.686 176.300 0.243 0.000 1.071 253 M CA 1.694 57.061 55.300 0.110 0.000 1.093 253 M CB -0.643 32.020 32.600 0.104 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.956 107.990 108.800 0.243 0.000 2.572 254 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G C 1.273 176.355 174.900 0.304 0.000 1.133 254 G CA 0.257 45.561 45.100 0.339 0.000 0.791 254 G HN 0.485 nan 8.290 nan 0.000 0.538 255 E N -0.459 119.857 120.200 0.195 0.000 2.107 255 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 255 E C 1.922 178.585 176.600 0.105 0.000 0.982 255 E CA 0.586 57.063 56.400 0.128 0.000 0.809 255 E CB -0.227 29.523 29.700 0.084 0.000 0.756 255 E HN 0.565 nan 8.360 nan 0.000 0.459 256 Y N 0.911 121.182 120.300 -0.048 0.000 2.151 256 Y HA -0.308 4.241 4.550 -0.001 0.000 0.284 256 Y C 1.673 177.440 175.900 -0.222 0.000 1.166 256 Y CA 1.634 59.621 58.100 -0.188 0.000 1.163 256 Y CB -0.453 37.813 38.460 -0.323 0.000 0.974 256 Y HN -0.074 nan 8.280 nan 0.000 0.511 257 F N 0.346 120.346 119.950 0.083 0.000 2.084 257 F HA -0.097 4.429 4.527 -0.002 0.000 0.296 257 F C 2.840 178.574 175.800 -0.111 0.000 1.111 257 F CA 1.906 59.878 58.000 -0.047 0.000 1.224 257 F CB -0.993 38.078 39.000 0.117 0.000 0.991 257 F HN -0.094 nan 8.300 nan 0.000 0.471 258 R N 0.866 121.454 120.500 0.147 0.000 2.136 258 R HA -0.237 4.102 4.340 -0.001 0.000 0.242 258 R C 1.781 178.055 176.300 -0.044 0.000 1.131 258 R CA 2.489 58.605 56.100 0.027 0.000 0.937 258 R CB -0.755 29.569 30.300 0.039 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.435 259 D N 0.322 120.688 120.400 -0.056 0.000 2.182 259 D HA -0.118 4.521 4.640 -0.001 0.000 0.201 259 D C 0.483 176.720 176.300 -0.106 0.000 0.986 259 D CA 1.087 55.048 54.000 -0.064 0.000 0.847 259 D CB -0.377 40.382 40.800 -0.068 0.000 0.942 259 D HN 0.286 nan 8.370 nan 0.000 0.467 260 N N -0.333 118.244 118.700 -0.204 0.000 2.597 260 N HA 0.282 5.021 4.740 -0.001 0.000 0.269 260 N C 0.921 176.354 175.510 -0.128 0.000 1.204 260 N CA 0.367 53.289 53.050 -0.213 0.000 0.947 260 N CB 0.510 38.748 38.487 -0.415 0.000 1.258 260 N HN 0.106 nan 8.380 nan 0.000 0.508 261 G N -0.258 108.482 108.800 -0.100 0.000 2.186 261 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.266 261 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.266 261 G C 0.289 175.107 174.900 -0.136 0.000 0.982 261 G CA 0.563 45.605 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N 0.001 120.340 120.400 -0.102 0.000 2.139 262 K HA 0.574 4.893 4.320 -0.001 0.000 0.243 262 K C -0.087 176.414 176.600 -0.166 0.000 0.983 262 K CA -0.866 55.432 56.287 0.018 0.000 0.890 262 K CB 0.769 33.453 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.062 119.113 119.070 0.174 0.000 2.457 263 H HA 0.544 5.099 4.556 -0.001 0.000 0.335 263 H C -0.866 174.502 175.328 0.067 0.000 1.115 263 H CA -0.648 55.446 56.048 0.077 0.000 1.219 263 H CB 1.942 31.688 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.027 125.928 122.820 0.136 0.000 2.486 264 A HA 0.441 4.760 4.320 -0.001 0.000 0.300 264 A C -1.519 176.076 177.584 0.018 0.000 1.048 264 A CA -0.632 51.429 52.037 0.039 0.000 0.696 264 A CB 1.903 20.951 19.000 0.081 0.000 1.278 264 A HN 0.439 nan 8.150 nan 0.000 0.405 265 L N 2.396 123.605 121.223 -0.025 0.000 2.322 265 L HA 0.826 5.166 4.340 -0.001 0.000 0.281 265 L C -0.852 175.973 176.870 -0.076 0.000 1.014 265 L CA -0.574 54.239 54.840 -0.044 0.000 0.815 265 L CB 1.141 43.178 42.059 -0.037 0.000 1.247 265 L HN 0.681 nan 8.230 nan 0.000 0.421 266 I N 4.986 125.466 120.570 -0.151 0.000 2.533 266 I HA 0.524 4.694 4.170 -0.001 0.000 0.290 266 I C -1.458 174.394 176.117 -0.441 0.000 1.056 266 I CA -0.603 60.516 61.300 -0.302 0.000 1.057 266 I CB 1.693 39.450 38.000 -0.406 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.066 128.374 120.570 -0.438 0.000 2.362 267 I HA 0.288 4.458 4.170 -0.001 0.000 0.289 267 I C -1.167 174.588 176.117 -0.602 0.000 0.994 267 I CA -0.212 60.835 61.300 -0.422 0.000 1.158 267 I CB 1.160 39.041 38.000 -0.199 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.145 124.281 120.300 -0.273 0.000 2.434 268 Y HA 0.427 4.976 4.550 -0.001 0.000 0.341 268 Y C -0.023 175.691 175.900 -0.310 0.000 0.965 268 Y CA -0.800 57.119 58.100 -0.302 0.000 1.205 268 Y CB 0.667 38.964 38.460 -0.271 0.000 1.121 268 Y HN 0.404 nan 8.280 nan 0.000 0.507 269 D N 3.508 123.755 120.400 -0.254 0.000 2.454 269 D HA 0.254 4.893 4.640 -0.001 0.000 0.247 269 D C -1.216 175.023 176.300 -0.102 0.000 1.129 269 D CA -0.435 53.452 54.000 -0.189 0.000 0.877 269 D CB 0.696 41.325 40.800 -0.286 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.664 122.026 120.400 -0.062 0.000 2.414 270 D HA 0.322 4.962 4.640 -0.001 0.000 0.241 270 D C 1.277 177.521 176.300 -0.093 0.000 1.008 270 D CA -0.712 53.247 54.000 -0.068 0.000 1.001 270 D CB 1.964 42.738 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.290 121.421 121.223 -0.153 0.000 2.446 271 L HA -0.000 4.339 4.340 -0.001 0.000 0.219 271 L C 1.752 178.554 176.870 -0.112 0.000 1.116 271 L CA 0.428 55.113 54.840 -0.258 0.000 0.844 271 L CB -0.092 41.629 42.059 -0.565 0.000 0.970 271 L HN 0.350 nan 8.230 nan 0.000 0.457 272 S N 0.286 115.948 115.700 -0.062 0.000 2.345 272 S HA -0.148 4.321 4.470 -0.001 0.000 0.220 272 S C 1.906 176.543 174.600 0.062 0.000 1.031 272 S CA 1.224 59.431 58.200 0.010 0.000 0.996 272 S CB -0.033 63.174 63.200 0.011 0.000 0.882 272 S HN 0.370 nan 8.310 nan 0.000 0.445 273 K N 1.136 121.561 120.400 0.040 0.000 2.097 273 K HA -0.117 4.203 4.320 -0.001 0.000 0.206 273 K C 2.421 179.073 176.600 0.086 0.000 1.049 273 K CA 1.001 57.325 56.287 0.061 0.000 0.933 273 K CB -0.180 32.342 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.903 120.747 119.800 0.073 0.000 2.119 274 Q HA -0.135 4.204 4.340 -0.001 0.000 0.201 274 Q C 2.067 178.188 176.000 0.201 0.000 0.972 274 Q CA 1.327 57.200 55.803 0.117 0.000 0.847 274 Q CB -0.060 28.712 28.738 0.057 0.000 0.903 274 Q HN 0.313 nan 8.270 nan 0.000 0.433 275 A N 0.245 123.191 122.820 0.210 0.000 1.908 275 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 275 A C 2.237 180.045 177.584 0.372 0.000 1.181 275 A CA 1.658 53.838 52.037 0.238 0.000 0.627 275 A CB -0.829 18.243 19.000 0.120 0.000 0.818 275 A HN 0.298 nan 8.150 nan 0.000 0.445 276 V N -0.182 119.905 119.914 0.288 0.000 2.343 276 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 276 V C 3.059 179.238 176.094 0.142 0.000 1.051 276 V CA 1.972 64.399 62.300 0.211 0.000 1.036 276 V CB -1.255 30.650 31.823 0.137 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.909 122.000 122.820 0.149 0.000 1.883 277 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 277 A C 2.180 179.832 177.584 0.113 0.000 1.186 277 A CA 2.242 54.350 52.037 0.119 0.000 0.624 277 A CB -0.814 18.276 19.000 0.150 0.000 0.822 277 A HN 0.608 nan 8.150 nan 0.000 0.444 278 Y N 0.445 120.770 120.300 0.041 0.000 2.145 278 Y HA -0.207 4.342 4.550 -0.002 0.000 0.286 278 Y C 2.554 178.440 175.900 -0.024 0.000 1.145 278 Y CA 2.080 60.150 58.100 -0.050 0.000 1.148 278 Y CB -0.475 37.983 38.460 -0.003 0.000 0.981 278 Y HN 0.360 nan 8.280 nan 0.000 0.507 279 R N 0.340 120.861 120.500 0.034 0.000 2.083 279 R HA -0.286 4.053 4.340 -0.001 0.000 0.237 279 R C 2.442 178.638 176.300 -0.173 0.000 1.137 279 R CA 2.122 58.166 56.100 -0.094 0.000 0.951 279 R CB -0.545 29.677 30.300 -0.130 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.102 119.835 119.800 -0.111 0.000 2.112 280 Q HA -0.214 4.125 4.340 -0.001 0.000 0.206 280 Q C 2.036 177.954 176.000 -0.137 0.000 0.987 280 Q CA 2.295 58.036 55.803 -0.104 0.000 0.858 280 Q CB -0.043 28.661 28.738 -0.056 0.000 0.905 280 Q HN 0.480 nan 8.270 nan 0.000 0.420 281 M N -0.447 119.039 119.600 -0.190 0.000 2.193 281 M HA -0.087 4.392 4.480 -0.001 0.000 0.265 281 M C 2.318 178.469 176.300 -0.248 0.000 1.071 281 M CA 1.178 56.356 55.300 -0.202 0.000 1.140 281 M CB 0.054 32.511 32.600 -0.240 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.522 116.983 115.700 -0.397 0.000 2.351 282 S HA -0.133 4.336 4.470 -0.001 0.000 0.220 282 S C 1.921 176.407 174.600 -0.189 0.000 1.035 282 S CA 1.369 59.356 58.200 -0.354 0.000 1.031 282 S CB -0.685 62.235 63.200 -0.465 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 0.896 122.021 121.223 -0.162 0.000 2.083 283 L HA -0.054 4.285 4.340 -0.001 0.000 0.209 283 L C 2.236 179.055 176.870 -0.084 0.000 1.083 283 L CA 0.938 55.715 54.840 -0.107 0.000 0.752 283 L CB -0.539 41.459 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.704 120.465 121.223 -0.089 0.000 2.291 284 L HA -0.152 4.187 4.340 -0.001 0.000 0.214 284 L C 2.017 178.857 176.870 -0.051 0.000 1.120 284 L CA 0.734 55.538 54.840 -0.062 0.000 0.799 284 L CB -0.163 41.862 42.059 -0.056 0.000 0.925 284 L HN 0.286 nan 8.230 nan 0.000 0.446 285 L N -0.872 120.312 121.223 -0.065 0.000 2.591 285 L HA 0.077 4.417 4.340 -0.001 0.000 0.228 285 L C 0.791 177.639 176.870 -0.036 0.000 1.133 285 L CA 0.090 54.904 54.840 -0.044 0.000 0.880 285 L CB -0.084 41.943 42.059 -0.054 0.000 1.033 285 L HN 0.211 nan 8.230 nan 0.000 0.450 286 R N -0.088 120.385 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.197 4.340 -0.001 0.000 0.312 286 R C -0.007 176.274 176.300 -0.032 0.000 1.181 286 R CA 0.369 56.448 56.100 -0.035 0.000 0.836 286 R CB -1.430 28.857 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.304 121.778 120.500 -0.044 0.000 2.679 287 R HA 0.190 4.529 4.340 -0.001 0.000 0.269 287 R C -1.938 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.378 54.706 56.100 -0.028 0.000 1.160 287 R CB 0.018 30.296 30.300 -0.037 0.000 1.054 287 R HN -0.069 nan 8.270 nan 0.000 0.507 288 P HA 0.088 nan 4.420 nan 0.000 0.267 288 P C -2.445 174.862 177.300 0.012 0.000 1.205 288 P CA -1.101 62.001 63.100 0.003 0.000 0.765 288 P CB 0.162 31.869 31.700 0.012 0.000 0.828 289 P HA 0.347 nan 4.420 nan 0.000 0.294 289 P C 0.029 177.345 177.300 0.027 0.000 1.294 289 P CA -0.059 63.048 63.100 0.012 0.000 0.827 289 P CB 1.688 33.377 31.700 -0.018 0.000 0.992 290 G N 2.013 110.851 108.800 0.063 0.000 2.971 290 G HA2 0.380 4.339 3.960 -0.001 0.000 0.235 290 G HA3 0.380 4.339 3.960 -0.001 0.000 0.235 290 G C -0.577 174.337 174.900 0.023 0.000 1.351 290 G CA -1.037 44.088 45.100 0.041 0.000 1.039 290 G HN 0.552 nan 8.290 nan 0.000 0.563 291 R N 0.334 120.792 120.500 -0.070 0.000 2.500 291 R HA -0.038 4.301 4.340 -0.001 0.000 0.281 291 R C 0.223 176.571 176.300 0.080 0.000 0.953 291 R CA 1.369 57.408 56.100 -0.102 0.000 1.108 291 R CB -0.222 29.855 30.300 -0.372 0.000 0.901 291 R HN 0.788 nan 8.270 nan 0.000 0.410 292 E N 1.930 122.183 120.200 0.089 0.000 3.170 292 E HA -0.337 4.012 4.350 -0.001 0.000 0.284 292 E C 0.316 176.878 176.600 -0.064 0.000 0.967 292 E CA 0.545 57.021 56.400 0.127 0.000 0.919 292 E CB -1.346 28.607 29.700 0.422 0.000 1.469 292 E HN 0.890 nan 8.360 nan 0.000 0.444 293 A N -2.015 120.777 122.820 -0.046 0.000 2.979 293 A HA -0.294 4.026 4.320 -0.001 0.000 0.260 293 A C -0.004 177.491 177.584 -0.148 0.000 1.282 293 A CA 1.722 53.690 52.037 -0.115 0.000 0.971 293 A CB -2.054 16.842 19.000 -0.174 0.000 1.124 293 A HN 0.406 nan 8.150 nan 0.000 0.826 294 Y N 0.825 121.223 120.300 0.162 0.000 2.346 294 Y HA 0.448 4.997 4.550 -0.002 0.000 0.330 294 Y C -1.281 174.729 175.900 0.182 0.000 1.178 294 Y CA -1.314 56.908 58.100 0.202 0.000 1.331 294 Y CB 0.419 39.102 38.460 0.371 0.000 1.253 294 Y HN 0.254 nan 8.280 nan 0.000 0.529 295 P HA 0.009 nan 4.420 nan 0.000 0.272 295 P C 0.637 178.103 177.300 0.277 0.000 1.223 295 P CA 0.099 63.322 63.100 0.204 0.000 0.784 295 P CB 0.928 32.707 31.700 0.133 0.000 0.923 296 G N 1.607 110.531 108.800 0.207 0.000 2.501 296 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 296 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 296 G C 0.713 175.754 174.900 0.235 0.000 1.114 296 G CA 0.556 45.778 45.100 0.203 0.000 0.757 296 G HN 0.662 nan 8.290 nan 0.000 0.559 297 D N 0.102 120.667 120.400 0.275 0.000 2.525 297 D HA 0.103 4.742 4.640 -0.001 0.000 0.229 297 D C 1.636 178.097 176.300 0.267 0.000 1.202 297 D CA -0.425 53.767 54.000 0.320 0.000 0.828 297 D CB 0.232 41.257 40.800 0.375 0.000 1.008 297 D HN 0.095 nan 8.370 nan 0.000 0.493 298 V N -0.200 119.843 119.914 0.214 0.000 2.548 298 V HA -0.083 4.036 4.120 -0.001 0.000 0.249 298 V C 1.764 177.753 176.094 -0.175 0.000 1.055 298 V CA 1.028 63.318 62.300 -0.017 0.000 1.065 298 V CB -0.716 31.100 31.823 -0.012 0.000 0.681 298 V HN 0.228 nan 8.190 nan 0.000 0.462 299 F N 0.025 119.918 119.950 -0.095 0.000 2.146 299 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 299 F C 2.134 177.942 175.800 0.013 0.000 1.096 299 F CA 2.238 60.201 58.000 -0.061 0.000 1.275 299 F CB -0.482 38.539 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.454 120.822 120.300 0.113 0.000 2.421 300 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 300 Y C 1.885 177.721 175.900 -0.108 0.000 1.136 300 Y CA 1.235 59.361 58.100 0.044 0.000 1.255 300 Y CB -0.641 37.884 38.460 0.107 0.000 0.991 300 Y HN 0.227 nan 8.280 nan 0.000 0.552 301 L N -0.626 120.411 121.223 -0.311 0.000 2.109 301 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 301 L C 2.097 178.807 176.870 -0.267 0.000 1.086 301 L CA 1.997 56.590 54.840 -0.411 0.000 0.760 301 L CB -0.570 41.133 42.059 -0.592 0.000 0.910 301 L HN 0.288 nan 8.230 nan 0.000 0.437 302 H N -1.958 116.918 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.543 4.556 -0.001 0.000 0.295 302 H C 2.366 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.792 56.615 56.048 -0.375 0.000 1.360 302 H CB 0.162 29.674 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.613 117.128 115.700 -0.309 0.000 2.368 303 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 303 S C 2.047 176.594 174.600 -0.089 0.000 1.030 303 S CA 1.252 59.307 58.200 -0.243 0.000 0.999 303 S CB -0.306 62.756 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.642 121.088 120.500 -0.091 0.000 2.235 304 R HA 0.185 4.524 4.340 -0.001 0.000 0.213 304 R C 2.144 178.442 176.300 -0.002 0.000 1.059 304 R CA 0.968 57.037 56.100 -0.052 0.000 0.997 304 R CB -0.499 29.700 30.300 -0.169 0.000 0.884 304 R HN 0.472 nan 8.270 nan 0.000 0.462 305 L N 0.650 121.858 121.223 -0.025 0.000 2.121 305 L HA 0.143 4.483 4.340 -0.001 0.000 0.200 305 L C 1.892 178.698 176.870 -0.107 0.000 1.077 305 L CA 1.292 56.082 54.840 -0.085 0.000 0.766 305 L CB -0.266 41.563 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.071 121.071 121.223 -0.135 0.000 2.456 306 L HA -0.060 4.280 4.340 -0.001 0.000 0.224 306 L C 2.156 179.010 176.870 -0.027 0.000 1.148 306 L CA 0.413 55.207 54.840 -0.077 0.000 0.825 306 L CB -0.495 41.493 42.059 -0.118 0.000 0.937 306 L HN 0.389 nan 8.230 nan 0.000 0.450 307 E N 0.248 120.436 120.200 -0.021 0.000 2.250 307 E HA -0.043 4.306 4.350 -0.001 0.000 0.192 307 E C 1.956 178.560 176.600 0.007 0.000 0.986 307 E CA 0.358 56.758 56.400 -0.001 0.000 0.849 307 E CB 0.135 29.841 29.700 0.011 0.000 0.797 307 E HN 0.449 nan 8.360 nan 0.000 0.482 308 R N 0.791 121.300 120.500 0.015 0.000 2.357 308 R HA 0.060 4.399 4.340 -0.001 0.000 0.202 308 R C 0.737 177.054 176.300 0.029 0.000 1.047 308 R CA 0.388 56.502 56.100 0.024 0.000 1.034 308 R CB -0.040 30.287 30.300 0.045 0.000 0.875 308 R HN -0.084 nan 8.270 nan 0.000 0.473 309 A N 1.053 123.891 122.820 0.029 0.000 2.309 309 A HA 0.730 5.050 4.320 -0.001 0.000 0.298 309 A C -0.266 177.326 177.584 0.013 0.000 1.165 309 A CA -0.150 51.905 52.037 0.029 0.000 0.821 309 A CB 0.909 19.929 19.000 0.033 0.000 1.102 309 A HN 0.252 nan 8.150 nan 0.000 0.500 310 A N 1.772 124.599 122.820 0.011 0.000 2.567 310 A HA 0.638 4.957 4.320 -0.001 0.000 0.291 310 A C -1.068 176.521 177.584 0.009 0.000 1.048 310 A CA -0.712 51.326 52.037 0.002 0.000 0.661 310 A CB 0.741 19.730 19.000 -0.018 0.000 1.288 310 A HN 0.981 nan 8.150 nan 0.000 0.424 311 K N 1.772 122.179 120.400 0.011 0.000 2.253 311 K HA 0.592 4.911 4.320 -0.001 0.000 0.277 311 K C -0.106 176.503 176.600 0.015 0.000 1.053 311 K CA -0.309 55.996 56.287 0.029 0.000 0.892 311 K CB 0.260 32.781 32.500 0.036 0.000 1.102 311 K HN 0.612 nan 8.250 nan 0.000 0.469 312 M N 2.413 122.022 119.600 0.015 0.000 2.163 312 M HA 0.182 4.661 4.480 -0.001 0.000 0.305 312 M C 0.325 176.669 176.300 0.073 0.000 1.166 312 M CA -0.481 54.831 55.300 0.020 0.000 1.132 312 M CB 0.108 32.727 32.600 0.033 0.000 1.413 312 M HN 0.751 nan 8.290 nan 0.000 0.478 313 N N 0.151 118.932 118.700 0.136 0.000 2.492 313 N HA 0.184 4.923 4.740 -0.001 0.000 0.289 313 N C -0.033 175.564 175.510 0.144 0.000 1.133 313 N CA -0.492 52.644 53.050 0.143 0.000 0.961 313 N CB 0.608 39.196 38.487 0.167 0.000 1.186 313 N HN 0.417 nan 8.380 nan 0.000 0.493 314 D N 0.835 121.285 120.400 0.082 0.000 2.172 314 D HA -0.254 4.385 4.640 -0.001 0.000 0.196 314 D C 1.485 177.797 176.300 0.019 0.000 0.999 314 D CA 1.986 56.014 54.000 0.047 0.000 0.856 314 D CB -0.354 40.462 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.131 122.960 122.820 0.014 0.000 2.024 315 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 315 A C 1.648 179.069 177.584 -0.272 0.000 1.164 315 A CA 1.081 53.050 52.037 -0.113 0.000 0.643 315 A CB -0.594 18.349 19.000 -0.094 0.000 0.806 315 A HN 0.180 nan 8.150 nan 0.000 0.451 316 F N -2.135 117.806 119.950 -0.015 0.000 2.678 316 F HA 0.403 4.929 4.527 -0.001 0.000 0.305 316 F C 1.711 177.490 175.800 -0.035 0.000 1.090 316 F CA 0.639 58.625 58.000 -0.023 0.000 1.272 316 F CB 0.952 39.940 39.000 -0.019 0.000 1.060 316 F HN 0.343 nan 8.300 nan 0.000 0.576 317 G N -0.782 108.072 108.800 0.089 0.000 2.229 317 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G C 1.241 176.153 174.900 0.020 0.000 1.000 317 G CA -0.186 44.933 45.100 0.032 0.000 0.663 317 G HN 0.862 nan 8.290 nan 0.000 0.493 318 G N -0.213 108.617 108.800 0.050 0.000 2.186 318 G HA2 0.124 4.084 3.960 -0.001 0.000 0.266 318 G HA3 0.124 4.084 3.960 -0.001 0.000 0.266 318 G C 1.427 176.316 174.900 -0.019 0.000 0.982 318 G CA 1.300 46.428 45.100 0.047 0.000 0.670 318 G HN 2.071 nan 8.290 nan 0.000 0.533 319 G N -0.416 108.316 108.800 -0.113 0.000 2.636 319 G HA2 0.638 4.597 3.960 -0.001 0.000 0.246 319 G HA3 0.638 4.597 3.960 -0.001 0.000 0.246 319 G C 0.354 175.137 174.900 -0.194 0.000 1.216 319 G CA 1.118 46.023 45.100 -0.323 0.000 0.854 319 G HN 1.742 nan 8.290 nan 0.000 0.572 320 S N -0.975 114.604 115.700 -0.201 0.000 2.661 320 S HA 0.699 5.168 4.470 -0.001 0.000 0.285 320 S C -1.390 173.252 174.600 0.070 0.000 1.138 320 S CA -0.847 57.383 58.200 0.049 0.000 0.855 320 S CB 2.046 65.385 63.200 0.232 0.000 1.136 320 S HN 1.040 nan 8.310 nan 0.000 0.484 321 L N 1.799 123.061 121.223 0.064 0.000 2.471 321 L HA 0.575 4.914 4.340 -0.001 0.000 0.263 321 L C -0.707 176.181 176.870 0.031 0.000 0.985 321 L CA 0.217 55.091 54.840 0.056 0.000 0.868 321 L CB 1.493 43.586 42.059 0.057 0.000 1.203 321 L HN 0.929 nan 8.230 nan 0.000 0.429 322 T N 3.433 117.995 114.554 0.013 0.000 2.882 322 T HA 0.834 5.184 4.350 -0.001 0.000 0.287 322 T C -0.161 174.514 174.700 -0.041 0.000 0.992 322 T CA -0.176 61.916 62.100 -0.013 0.000 1.076 322 T CB 1.450 70.302 68.868 -0.027 0.000 0.961 322 T HN 0.743 nan 8.240 nan 0.000 0.490 323 A N 3.008 125.804 122.820 -0.040 0.000 2.356 323 A HA 0.743 5.062 4.320 -0.001 0.000 0.310 323 A C -0.802 176.738 177.584 -0.072 0.000 1.075 323 A CA -0.756 51.235 52.037 -0.076 0.000 0.746 323 A CB 0.807 19.813 19.000 0.010 0.000 1.221 323 A HN 0.837 nan 8.150 nan 0.000 0.443 324 L N 4.172 125.318 121.223 -0.129 0.000 2.337 324 L HA 0.389 4.728 4.340 -0.001 0.000 0.269 324 L C -2.471 174.343 176.870 -0.093 0.000 1.018 324 L CA -1.782 52.999 54.840 -0.098 0.000 0.876 324 L CB 1.835 43.840 42.059 -0.090 0.000 1.236 324 L HN 0.447 nan 8.230 nan 0.000 0.436 325 P HA 0.293 nan 4.420 nan 0.000 0.292 325 P C -0.721 176.538 177.300 -0.069 0.000 1.283 325 P CA -0.447 62.668 63.100 0.025 0.000 0.835 325 P CB 2.025 33.724 31.700 -0.002 0.000 1.017 326 V N 4.405 124.272 119.914 -0.078 0.000 2.483 326 V HA 0.439 4.558 4.120 -0.001 0.000 0.295 326 V C 0.233 176.264 176.094 -0.105 0.000 1.035 326 V CA -0.569 61.677 62.300 -0.089 0.000 0.896 326 V CB 1.656 33.438 31.823 -0.069 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.249 123.760 120.570 -0.099 0.000 2.465 327 I HA 0.415 4.585 4.170 -0.001 0.000 0.291 327 I C 0.010 176.100 176.117 -0.046 0.000 1.014 327 I CA -0.388 60.860 61.300 -0.086 0.000 1.093 327 I CB 2.026 39.968 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.290 125.477 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.674 4.350 -0.001 0.000 0.282 328 E C -0.302 176.312 176.600 0.023 0.000 0.987 328 E CA -0.372 56.028 56.400 0.000 0.000 0.797 328 E CB 1.037 30.741 29.700 0.007 0.000 1.086 328 E HN 0.718 nan 8.360 nan 0.000 0.397 329 T N 1.919 116.494 114.554 0.035 0.000 2.824 329 T HA 0.280 4.629 4.350 -0.001 0.000 0.277 329 T C 0.043 174.776 174.700 0.055 0.000 0.975 329 T CA -0.843 61.291 62.100 0.057 0.000 0.966 329 T CB 1.336 70.254 68.868 0.082 0.000 1.054 329 T HN 0.371 nan 8.240 nan 0.000 0.533 330 Q N 0.137 119.974 119.800 0.062 0.000 2.325 330 Q HA 0.539 4.878 4.340 -0.001 0.000 0.270 330 Q C 0.271 176.302 176.000 0.053 0.000 1.020 330 Q CA -0.213 55.623 55.803 0.056 0.000 0.785 330 Q CB 1.472 30.246 28.738 0.061 0.000 1.259 330 Q HN 1.269 nan 8.270 nan 0.000 0.452 331 A N 2.124 124.972 122.820 0.047 0.000 2.783 331 A HA -0.183 4.136 4.320 -0.001 0.000 0.292 331 A C 1.124 178.736 177.584 0.046 0.000 1.495 331 A CA 1.457 53.521 52.037 0.045 0.000 0.787 331 A CB -2.151 16.873 19.000 0.040 0.000 1.017 331 A HN 1.626 nan 8.150 nan 0.000 0.516 332 G N -1.003 107.829 108.800 0.054 0.000 2.203 332 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G C 0.024 174.958 174.900 0.057 0.000 1.012 332 G CA 1.089 46.225 45.100 0.059 0.000 0.749 332 G HN 1.638 nan 8.290 nan 0.000 0.512 333 D N 0.637 121.074 120.400 0.062 0.000 2.608 333 D HA 0.318 4.957 4.640 -0.001 0.000 0.224 333 D C 2.005 178.356 176.300 0.084 0.000 1.123 333 D CA 0.269 54.307 54.000 0.064 0.000 1.030 333 D CB 0.081 40.920 40.800 0.066 0.000 1.093 333 D HN 0.544 nan 8.370 nan 0.000 0.497 334 V N 0.538 120.508 119.914 0.092 0.000 2.867 334 V HA -0.100 4.019 4.120 -0.001 0.000 0.260 334 V C 1.593 177.759 176.094 0.119 0.000 1.099 334 V CA 1.151 63.534 62.300 0.138 0.000 1.122 334 V CB -0.482 31.456 31.823 0.192 0.000 0.708 334 V HN 0.259 nan 8.190 nan 0.000 0.490 335 S N 0.436 116.191 115.700 0.092 0.000 2.575 335 S HA 0.587 5.056 4.470 -0.001 0.000 0.215 335 S C 1.215 175.883 174.600 0.112 0.000 0.966 335 S CA 0.287 58.544 58.200 0.094 0.000 0.911 335 S CB -0.148 63.092 63.200 0.067 0.000 0.780 335 S HN 0.901 nan 8.310 nan 0.000 0.514 336 A N 0.827 123.718 122.820 0.118 0.000 2.364 336 A HA 0.308 4.627 4.320 -0.001 0.000 0.258 336 A C 0.997 178.709 177.584 0.213 0.000 1.131 336 A CA -0.065 52.061 52.037 0.149 0.000 0.800 336 A CB -0.255 18.826 19.000 0.136 0.000 1.086 336 A HN 0.305 nan 8.150 nan 0.000 0.508 337 Y N 0.004 120.347 120.300 0.070 0.000 2.036 337 Y HA -0.197 4.352 4.550 -0.002 0.000 0.273 337 Y C 2.012 177.912 175.900 -0.001 0.000 1.135 337 Y CA 2.285 60.412 58.100 0.045 0.000 1.106 337 Y CB -0.797 37.709 38.460 0.077 0.000 0.976 337 Y HN 0.456 nan 8.280 nan 0.000 0.483 338 I N 0.587 121.042 120.570 -0.191 0.000 2.208 338 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 338 I C -0.755 175.315 176.117 -0.078 0.000 1.097 338 I CA 1.634 62.775 61.300 -0.266 0.000 1.363 338 I CB -1.914 35.903 38.000 -0.306 0.000 1.051 338 I HN 0.208 nan 8.210 nan 0.000 0.413 339 P HA -0.113 nan 4.420 nan 0.000 0.216 339 P C 1.724 179.060 177.300 0.060 0.000 1.150 339 P CA 1.557 64.673 63.100 0.027 0.000 0.837 339 P CB -0.215 31.526 31.700 0.068 0.000 0.786 340 T N -0.796 113.816 114.554 0.097 0.000 2.777 340 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 340 T C 1.597 176.386 174.700 0.148 0.000 1.040 340 T CA 1.324 63.504 62.100 0.133 0.000 1.141 340 T CB -0.785 68.190 68.868 0.178 0.000 0.868 340 T HN 0.102 nan 8.240 nan 0.000 0.444 341 N N 1.216 119.999 118.700 0.138 0.000 2.013 341 N HA -0.080 4.659 4.740 -0.001 0.000 0.195 341 N C 2.026 177.602 175.510 0.110 0.000 1.051 341 N CA 1.049 54.237 53.050 0.229 0.000 0.851 341 N CB -1.042 37.511 38.487 0.110 0.000 1.044 341 N HN 0.197 nan 8.380 nan 0.000 0.422 342 V N 1.745 121.651 119.914 -0.013 0.000 2.469 342 V HA -0.166 3.953 4.120 -0.001 0.000 0.251 342 V C 2.256 178.328 176.094 -0.038 0.000 1.064 342 V CA 1.158 63.406 62.300 -0.086 0.000 1.066 342 V CB -0.542 31.179 31.823 -0.169 0.000 0.667 342 V HN 0.267 nan 8.190 nan 0.000 0.461 343 I N 1.091 121.669 120.570 0.012 0.000 2.252 343 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 343 I C 2.686 178.840 176.117 0.061 0.000 1.102 343 I CA 1.903 63.222 61.300 0.031 0.000 1.385 343 I CB -0.457 37.596 38.000 0.090 0.000 1.064 343 I HN 0.508 nan 8.210 nan 0.000 0.414 344 S N 0.795 116.559 115.700 0.107 0.000 2.474 344 S HA -0.058 4.411 4.470 -0.001 0.000 0.235 344 S C 1.768 176.456 174.600 0.146 0.000 0.997 344 S CA 0.831 59.118 58.200 0.145 0.000 0.949 344 S CB -0.406 62.922 63.200 0.213 0.000 0.766 344 S HN 0.452 nan 8.310 nan 0.000 0.517 345 I N 1.486 122.108 120.570 0.087 0.000 3.081 345 I HA 0.058 4.227 4.170 -0.001 0.000 0.274 345 I C 1.323 177.447 176.117 0.011 0.000 1.178 345 I CA 0.576 61.901 61.300 0.042 0.000 1.460 345 I CB -0.300 37.645 38.000 -0.090 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.282 112.266 114.554 -0.010 0.000 2.874 346 T HA 0.135 4.484 4.350 -0.001 0.000 0.281 346 T C 0.571 175.269 174.700 -0.004 0.000 0.994 346 T CA -0.553 61.534 62.100 -0.021 0.000 1.015 346 T CB 1.202 70.040 68.868 -0.051 0.000 1.028 346 T HN 0.030 nan 8.240 nan 0.000 0.523 347 D N 0.404 120.799 120.400 -0.009 0.000 2.349 347 D HA 0.281 4.920 4.640 -0.001 0.000 0.224 347 D C 0.948 177.247 176.300 -0.002 0.000 1.029 347 D CA 0.515 54.514 54.000 -0.001 0.000 0.879 347 D CB 0.113 40.911 40.800 -0.004 0.000 0.906 347 D HN 0.888 nan 8.370 nan 0.000 0.528 348 G N 0.070 108.860 108.800 -0.016 0.000 2.316 348 G HA2 0.319 4.278 3.960 -0.001 0.000 0.296 348 G HA3 0.319 4.278 3.960 -0.001 0.000 0.296 348 G C -1.929 172.926 174.900 -0.076 0.000 1.399 348 G CA -0.808 44.282 45.100 -0.017 0.000 0.833 348 G HN -0.060 nan 8.290 nan 0.000 0.565 349 Q N -0.838 118.895 119.800 -0.112 0.000 2.345 349 Q HA 0.672 5.012 4.340 -0.001 0.000 0.275 349 Q C -0.687 175.134 176.000 -0.298 0.000 1.063 349 Q CA -0.464 55.144 55.803 -0.325 0.000 0.819 349 Q CB 2.790 31.108 28.738 -0.701 0.000 1.356 349 Q HN 0.581 nan 8.270 nan 0.000 0.418 350 I N 2.647 123.022 120.570 -0.324 0.000 2.330 350 I HA 0.339 4.508 4.170 -0.001 0.000 0.286 350 I C -0.895 175.082 176.117 -0.234 0.000 1.025 350 I CA -0.458 60.743 61.300 -0.165 0.000 1.197 350 I CB 0.408 38.350 38.000 -0.096 0.000 1.358 350 I HN 0.466 nan 8.210 nan 0.000 0.467 351 F N 6.827 126.779 119.950 0.004 0.000 2.421 351 F HA 0.378 4.904 4.527 -0.002 0.000 0.358 351 F C 0.258 176.063 175.800 0.009 0.000 1.115 351 F CA -0.243 57.760 58.000 0.005 0.000 1.160 351 F CB 0.629 39.633 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 3.995 125.305 121.223 0.145 0.000 2.357 352 L HA 0.490 4.829 4.340 -0.001 0.000 0.273 352 L C -0.264 176.669 176.870 0.105 0.000 1.080 352 L CA -0.526 54.374 54.840 0.100 0.000 0.803 352 L CB 1.312 43.394 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.527 120.783 120.200 0.094 0.000 2.256 353 E HA 0.223 4.572 4.350 -0.001 0.000 0.268 353 E C -0.090 176.562 176.600 0.088 0.000 0.877 353 E CA -0.442 56.009 56.400 0.084 0.000 0.757 353 E CB 2.221 31.972 29.700 0.084 0.000 1.183 353 E HN 0.587 nan 8.360 nan 0.000 0.418 354 T N 1.343 115.941 114.554 0.073 0.000 2.652 354 T HA -0.260 4.089 4.350 -0.001 0.000 0.267 354 T C 1.612 176.429 174.700 0.193 0.000 1.039 354 T CA 1.775 63.938 62.100 0.105 0.000 1.153 354 T CB -0.080 68.878 68.868 0.149 0.000 0.863 354 T HN 0.643 nan 8.240 nan 0.000 0.428 355 E N 1.017 121.318 120.200 0.169 0.000 2.065 355 E HA -0.192 4.157 4.350 -0.001 0.000 0.201 355 E C 2.185 178.875 176.600 0.150 0.000 1.016 355 E CA 1.292 57.792 56.400 0.167 0.000 0.818 355 E CB -0.365 29.401 29.700 0.111 0.000 0.749 355 E HN 0.465 nan 8.360 nan 0.000 0.453 356 L N -0.177 121.115 121.223 0.116 0.000 1.970 356 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 356 L C 2.547 179.463 176.870 0.076 0.000 1.071 356 L CA 1.594 56.488 54.840 0.090 0.000 0.751 356 L CB -0.739 41.370 42.059 0.084 0.000 0.889 356 L HN 0.232 nan 8.230 nan 0.000 0.432 357 F N 0.283 120.180 119.950 -0.087 0.000 2.032 357 F HA -0.361 4.165 4.527 -0.001 0.000 0.297 357 F C 2.466 178.123 175.800 -0.239 0.000 1.125 357 F CA 1.952 59.822 58.000 -0.218 0.000 1.202 357 F CB -0.621 38.143 39.000 -0.392 0.000 0.958 357 F HN -0.047 nan 8.300 nan 0.000 0.491 358 Y N 0.049 120.492 120.300 0.239 0.000 2.483 358 Y HA -0.130 4.419 4.550 -0.001 0.000 0.291 358 Y C 2.190 178.107 175.900 0.029 0.000 1.143 358 Y CA 1.254 59.423 58.100 0.115 0.000 1.289 358 Y CB -0.774 37.776 38.460 0.151 0.000 0.983 358 Y HN 0.102 nan 8.280 nan 0.000 0.556 359 K N -0.834 119.639 120.400 0.122 0.000 2.487 359 K HA 0.116 4.436 4.320 -0.001 0.000 0.192 359 K C 1.359 177.969 176.600 0.016 0.000 1.027 359 K CA 0.678 57.011 56.287 0.077 0.000 1.054 359 K CB -0.084 32.460 32.500 0.073 0.000 0.824 359 K HN 0.445 nan 8.250 nan 0.000 0.510 360 G N 0.867 109.632 108.800 -0.059 0.000 2.201 360 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.212 360 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.212 360 G C 0.039 174.869 174.900 -0.116 0.000 0.994 360 G CA -0.487 44.554 45.100 -0.097 0.000 0.644 360 G HN 0.122 nan 8.290 nan 0.000 0.508 361 I N 2.080 122.596 120.570 -0.090 0.000 2.329 361 I HA 0.390 4.559 4.170 -0.001 0.000 0.295 361 I C 0.606 176.657 176.117 -0.109 0.000 1.109 361 I CA 0.273 61.537 61.300 -0.060 0.000 1.297 361 I CB 0.024 38.024 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.639 128.063 120.500 -0.127 0.000 2.502 362 R HA 0.406 4.746 4.340 -0.001 0.000 0.300 362 R C -2.578 173.691 176.300 -0.050 0.000 0.984 362 R CA -1.641 54.383 56.100 -0.128 0.000 0.882 362 R CB 2.559 32.680 30.300 -0.298 0.000 1.180 362 R HN 0.306 nan 8.270 nan 0.000 0.444 363 P HA 0.011 nan 4.420 nan 0.000 0.271 363 P C -0.005 177.330 177.300 0.059 0.000 1.216 363 P CA -0.067 63.056 63.100 0.040 0.000 0.776 363 P CB 1.013 32.729 31.700 0.027 0.000 0.881 364 A N 4.318 127.216 122.820 0.130 0.000 2.176 364 A HA 0.026 4.345 4.320 -0.001 0.000 0.214 364 A C 1.045 178.686 177.584 0.095 0.000 1.327 364 A CA -0.115 52.001 52.037 0.131 0.000 1.015 364 A CB -1.465 17.665 19.000 0.216 0.000 0.818 364 A HN 0.516 nan 8.150 nan 0.000 0.500 365 I N 1.232 121.845 120.570 0.073 0.000 2.662 365 I HA -0.066 4.103 4.170 -0.001 0.000 0.285 365 I C 0.621 176.789 176.117 0.085 0.000 1.161 365 I CA -0.079 61.266 61.300 0.076 0.000 1.415 365 I CB 0.183 38.215 38.000 0.055 0.000 1.385 365 I HN 0.295 nan 8.210 nan 0.000 0.552 366 N N 7.043 125.812 118.700 0.115 0.000 2.448 366 N HA 0.046 4.785 4.740 -0.001 0.000 0.250 366 N C 0.701 176.268 175.510 0.095 0.000 1.136 366 N CA 0.066 53.172 53.050 0.094 0.000 0.953 366 N CB 1.364 39.906 38.487 0.091 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.874 123.829 119.914 0.069 0.000 2.407 367 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 367 V C 2.220 178.346 176.094 0.055 0.000 1.055 367 V CA 2.318 64.655 62.300 0.063 0.000 1.049 367 V CB -0.681 31.174 31.823 0.053 0.000 0.662 367 V HN 0.786 nan 8.190 nan 0.000 0.455 368 G N -0.633 108.186 108.800 0.033 0.000 2.418 368 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 368 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 368 G C 1.444 176.352 174.900 0.013 0.000 1.158 368 G CA 0.794 45.901 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.909 122.137 121.223 0.008 0.000 2.567 369 L HA 0.225 4.564 4.340 -0.001 0.000 0.225 369 L C 1.104 178.113 176.870 0.232 0.000 1.119 369 L CA -0.297 54.530 54.840 -0.022 0.000 0.871 369 L CB 0.222 42.096 42.059 -0.307 0.000 1.036 369 L HN 0.001 nan 8.230 nan 0.000 0.459 370 S N -0.342 115.518 115.700 0.266 0.000 2.603 370 S HA 0.521 4.990 4.470 -0.001 0.000 0.268 370 S C -0.128 174.572 174.600 0.167 0.000 1.317 370 S CA -0.456 57.917 58.200 0.288 0.000 1.012 370 S CB 1.653 64.953 63.200 0.166 0.000 0.926 370 S HN -0.010 nan 8.310 nan 0.000 0.539 371 V N 0.279 120.262 119.914 0.114 0.000 3.147 371 V HA 0.749 4.868 4.120 -0.001 0.000 0.306 371 V C -0.610 175.503 176.094 0.033 0.000 1.209 371 V CA -0.883 61.461 62.300 0.074 0.000 1.023 371 V CB 2.019 33.895 31.823 0.088 0.000 1.059 371 V HN 0.706 nan 8.190 nan 0.000 0.435 372 S N 0.152 115.867 115.700 0.025 0.000 2.620 372 S HA 0.420 4.889 4.470 -0.001 0.000 0.244 372 S C 0.707 175.315 174.600 0.012 0.000 1.192 372 S CA -0.632 57.574 58.200 0.010 0.000 1.148 372 S CB 0.948 64.149 63.200 0.002 0.000 1.106 372 S HN 0.740 nan 8.310 nan 0.000 0.474 373 R N 2.042 122.549 120.500 0.013 0.000 2.091 373 R HA -0.090 4.249 4.340 -0.001 0.000 0.238 373 R C 1.835 178.140 176.300 0.009 0.000 1.136 373 R CA 1.863 57.971 56.100 0.014 0.000 0.959 373 R CB -0.520 29.790 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.413 120.329 119.914 0.003 0.000 2.392 374 V HA -0.187 3.932 4.120 -0.001 0.000 0.249 374 V C 1.718 177.812 176.094 -0.001 0.000 1.059 374 V CA 1.651 63.951 62.300 -0.000 0.000 1.051 374 V CB -1.257 30.562 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.041 108.841 108.800 0.000 0.000 2.581 375 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.291 375 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.291 375 G C 0.955 175.853 174.900 -0.003 0.000 1.277 375 G CA 0.480 45.581 45.100 0.001 0.000 0.959 375 G HN 0.388 nan 8.290 nan 0.000 0.554 376 S N 0.644 116.343 115.700 -0.001 0.000 2.440 376 S HA 0.017 4.486 4.470 -0.001 0.000 0.238 376 S C 2.685 177.281 174.600 -0.007 0.000 1.010 376 S CA 1.839 60.037 58.200 -0.003 0.000 0.972 376 S CB -0.569 62.631 63.200 -0.000 0.000 0.774 376 S HN 1.681 nan 8.310 nan 0.000 0.501 377 A N 0.481 123.297 122.820 -0.006 0.000 2.245 377 A HA 0.128 4.447 4.320 -0.001 0.000 0.217 377 A C 1.810 179.384 177.584 -0.016 0.000 1.171 377 A CA 1.518 53.550 52.037 -0.008 0.000 0.688 377 A CB -0.439 18.558 19.000 -0.005 0.000 0.781 377 A HN 0.536 nan 8.150 nan 0.000 0.479 378 A N -1.873 120.936 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.665 4.320 -0.001 0.000 0.250 378 A C 0.724 178.290 177.584 -0.032 0.000 1.208 378 A CA -0.266 51.753 52.037 -0.030 0.000 0.960 378 A CB 0.200 19.181 19.000 -0.032 0.000 1.099 378 A HN 0.529 nan 8.150 nan 0.000 0.542 379 Q N 0.761 120.548 119.800 -0.021 0.000 2.260 379 Q HA 0.433 4.773 4.340 -0.001 0.000 0.238 379 Q C -0.332 175.657 176.000 -0.017 0.000 0.948 379 Q CA -0.272 55.521 55.803 -0.016 0.000 0.895 379 Q CB 1.056 29.790 28.738 -0.007 0.000 1.218 379 Q HN 0.436 nan 8.270 nan 0.000 0.470 380 T N -0.589 113.957 114.554 -0.014 0.000 2.874 380 T HA 0.192 4.541 4.350 -0.001 0.000 0.281 380 T C 0.846 175.544 174.700 -0.004 0.000 0.994 380 T CA -0.759 61.334 62.100 -0.013 0.000 1.015 380 T CB 1.192 70.054 68.868 -0.010 0.000 1.028 380 T HN 0.612 nan 8.240 nan 0.000 0.523 381 R N 0.322 120.821 120.500 -0.002 0.000 2.148 381 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 381 R C 2.368 178.673 176.300 0.010 0.000 1.103 381 R CA 1.131 57.233 56.100 0.003 0.000 0.983 381 R CB -0.699 29.602 30.300 0.003 0.000 0.874 381 R HN 0.794 nan 8.270 nan 0.000 0.451 382 A N 0.947 123.772 122.820 0.009 0.000 1.858 382 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 382 A C 2.065 179.663 177.584 0.023 0.000 1.190 382 A CA 1.636 53.681 52.037 0.014 0.000 0.617 382 A CB -0.540 18.464 19.000 0.008 0.000 0.827 382 A HN 0.414 nan 8.150 nan 0.000 0.443 383 M N 0.147 119.758 119.600 0.018 0.000 2.067 383 M HA -0.119 4.360 4.480 -0.001 0.000 0.260 383 M C 1.864 178.178 176.300 0.022 0.000 1.069 383 M CA 2.009 57.322 55.300 0.022 0.000 1.117 383 M CB -0.553 32.056 32.600 0.014 0.000 1.334 383 M HN 0.372 nan 8.290 nan 0.000 0.407 384 K N -0.515 119.895 120.400 0.015 0.000 2.074 384 K HA -0.284 4.035 4.320 -0.001 0.000 0.209 384 K C 2.161 178.773 176.600 0.020 0.000 1.048 384 K CA 2.082 58.377 56.287 0.014 0.000 0.926 384 K CB -0.481 32.025 32.500 0.009 0.000 0.713 384 K HN 0.574 nan 8.250 nan 0.000 0.444 385 Q N 0.574 120.391 119.800 0.027 0.000 2.248 385 Q HA -0.187 4.152 4.340 -0.001 0.000 0.208 385 Q C 1.710 177.739 176.000 0.048 0.000 0.984 385 Q CA 1.802 57.628 55.803 0.038 0.000 0.875 385 Q CB 0.193 28.958 28.738 0.046 0.000 0.910 385 Q HN 0.341 nan 8.270 nan 0.000 0.433 386 V N -4.482 115.461 119.914 0.047 0.000 2.996 386 V HA 0.291 4.410 4.120 -0.001 0.000 0.235 386 V C 2.077 178.185 176.094 0.024 0.000 1.205 386 V CA 0.518 62.846 62.300 0.048 0.000 1.225 386 V CB -1.105 30.765 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.007 124.840 122.820 0.023 0.000 1.915 387 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 387 A C 2.340 179.928 177.584 0.008 0.000 1.198 387 A CA 2.958 55.004 52.037 0.014 0.000 0.647 387 A CB -1.610 17.398 19.000 0.014 0.000 0.825 387 A HN 0.778 nan 8.150 nan 0.000 0.456 388 G N -1.019 107.786 108.800 0.007 0.000 2.446 388 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G C 1.703 176.601 174.900 -0.004 0.000 1.168 388 G CA 2.199 47.301 45.100 0.003 0.000 0.771 388 G HN 0.759 nan 8.290 nan 0.000 0.551 389 T N -1.681 112.867 114.554 -0.009 0.000 3.014 389 T HA 0.126 4.475 4.350 -0.001 0.000 0.263 389 T C 2.289 176.974 174.700 -0.025 0.000 1.078 389 T CA 1.012 63.099 62.100 -0.021 0.000 1.135 389 T CB -0.081 68.766 68.868 -0.034 0.000 0.895 389 T HN 0.194 nan 8.240 nan 0.000 0.480 390 M N 1.229 120.817 119.600 -0.021 0.000 2.067 390 M HA -0.072 4.407 4.480 -0.001 0.000 0.260 390 M C 2.549 178.843 176.300 -0.010 0.000 1.069 390 M CA 1.767 57.054 55.300 -0.022 0.000 1.117 390 M CB -0.283 32.308 32.600 -0.015 0.000 1.334 390 M HN 0.201 nan 8.290 nan 0.000 0.407 391 K N 0.164 120.563 120.400 -0.001 0.000 2.089 391 K HA -0.256 4.063 4.320 -0.001 0.000 0.210 391 K C 1.866 178.470 176.600 0.006 0.000 1.048 391 K CA 1.804 58.095 56.287 0.007 0.000 0.926 391 K CB -0.331 32.174 32.500 0.008 0.000 0.714 391 K HN 0.318 nan 8.250 nan 0.000 0.448 392 L N 1.729 122.951 121.223 -0.001 0.000 2.072 392 L HA -0.124 4.215 4.340 -0.001 0.000 0.205 392 L C 1.978 178.848 176.870 -0.000 0.000 1.079 392 L CA 1.673 56.512 54.840 -0.002 0.000 0.752 392 L CB -0.223 41.831 42.059 -0.007 0.000 0.906 392 L HN 0.244 nan 8.230 nan 0.000 0.436 393 E N -0.764 119.431 120.200 -0.009 0.000 2.152 393 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 393 E C 2.306 178.922 176.600 0.027 0.000 0.983 393 E CA 1.015 57.410 56.400 -0.008 0.000 0.818 393 E CB -0.319 29.356 29.700 -0.042 0.000 0.758 393 E HN 0.490 nan 8.360 nan 0.000 0.467 394 L N 1.149 122.389 121.223 0.028 0.000 1.994 394 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 394 L C 2.762 179.689 176.870 0.096 0.000 1.071 394 L CA 1.151 56.041 54.840 0.083 0.000 0.745 394 L CB -0.607 41.487 42.059 0.059 0.000 0.892 394 L HN 0.141 nan 8.230 nan 0.000 0.431 395 A N -0.520 122.326 122.820 0.044 0.000 1.948 395 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 395 A C 2.172 179.763 177.584 0.012 0.000 1.177 395 A CA 1.934 53.982 52.037 0.019 0.000 0.636 395 A CB -0.556 18.448 19.000 0.007 0.000 0.815 395 A HN 0.541 nan 8.150 nan 0.000 0.449 396 Q N -2.288 117.528 119.800 0.027 0.000 2.079 396 Q HA -0.181 4.158 4.340 -0.001 0.000 0.200 396 Q C 2.071 178.099 176.000 0.046 0.000 0.974 396 Q CA 1.647 57.462 55.803 0.020 0.000 0.840 396 Q CB -0.350 28.400 28.738 0.019 0.000 0.898 396 Q HN 0.852 nan 8.270 nan 0.000 0.430 397 Y N 1.611 121.875 120.300 -0.060 0.000 2.114 397 Y HA -0.199 4.350 4.550 -0.001 0.000 0.284 397 Y C 2.094 177.941 175.900 -0.090 0.000 1.143 397 Y CA 1.556 59.616 58.100 -0.067 0.000 1.135 397 Y CB -0.232 38.198 38.460 -0.050 0.000 0.980 397 Y HN -0.117 nan 8.280 nan 0.000 0.499 398 R N 0.335 120.761 120.500 -0.124 0.000 2.154 398 R HA -0.217 4.122 4.340 -0.001 0.000 0.248 398 R C 2.275 178.418 176.300 -0.262 0.000 1.155 398 R CA 1.884 57.832 56.100 -0.255 0.000 0.979 398 R CB -0.266 29.966 30.300 -0.113 0.000 0.869 398 R HN 0.548 nan 8.270 nan 0.000 0.452 399 E N -0.446 119.637 120.200 -0.195 0.000 2.072 399 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 399 E C 1.784 178.140 176.600 -0.407 0.000 0.985 399 E CA 1.404 57.667 56.400 -0.228 0.000 0.801 399 E CB 0.207 29.819 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.631 120.293 119.914 -0.420 0.000 2.992 400 V HA -0.015 4.104 4.120 -0.001 0.000 0.250 400 V C 2.142 177.908 176.094 -0.546 0.000 1.090 400 V CA 0.867 62.790 62.300 -0.630 0.000 1.101 400 V CB -0.054 31.609 31.823 -0.266 0.000 0.743 400 V HN 0.227 nan 8.190 nan 0.000 0.468 401 A N 1.300 123.811 122.820 -0.515 0.000 1.916 401 A HA -0.409 3.910 4.320 -0.001 0.000 0.224 401 A C 2.435 179.890 177.584 -0.215 0.000 1.366 401 A CA 3.119 54.843 52.037 -0.522 0.000 0.692 401 A CB -1.235 17.284 19.000 -0.801 0.000 0.841 401 A HN 0.723 nan 8.150 nan 0.000 0.480 402 A N -1.734 120.961 122.820 -0.208 0.000 1.997 402 A HA -0.088 4.231 4.320 -0.001 0.000 0.221 402 A C 1.925 179.649 177.584 0.232 0.000 1.172 402 A CA 1.979 54.013 52.037 -0.005 0.000 0.645 402 A CB -0.759 18.231 19.000 -0.016 0.000 0.813 402 A HN 0.541 nan 8.150 nan 0.000 0.454 403 F N -0.052 119.908 119.950 0.018 0.000 2.146 403 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 403 F C 2.771 178.635 175.800 0.106 0.000 1.096 403 F CA -0.006 58.031 58.000 0.062 0.000 1.275 403 F CB -1.534 37.489 39.000 0.039 0.000 1.008 403 F HN 0.326 nan 8.300 nan 0.000 0.480 404 A N 0.560 123.549 122.820 0.282 0.000 1.883 404 A HA -0.376 3.943 4.320 -0.001 0.000 0.226 404 A C 2.010 179.689 177.584 0.160 0.000 1.512 404 A CA 2.656 54.807 52.037 0.191 0.000 0.738 404 A CB -1.467 17.625 19.000 0.152 0.000 0.848 404 A HN 0.498 nan 8.150 nan 0.000 0.477 405 Q N -2.192 117.703 119.800 0.158 0.000 2.585 405 Q HA -0.063 4.276 4.340 -0.001 0.000 0.219 405 Q C 0.185 176.132 176.000 -0.089 0.000 0.984 405 Q CA 1.060 56.898 55.803 0.059 0.000 0.915 405 Q CB -0.204 28.596 28.738 0.103 0.000 0.967 405 Q HN 0.757 nan 8.270 nan 0.000 0.530 406 F N -2.815 117.163 119.950 0.047 0.000 3.022 406 F HA 0.243 4.769 4.527 -0.001 0.000 0.351 406 F C 1.149 176.948 175.800 -0.002 0.000 1.170 406 F CA -0.541 57.468 58.000 0.016 0.000 1.066 406 F CB 0.824 39.826 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.341 109.231 108.800 0.149 0.000 2.991 407 G HA2 0.053 4.013 3.960 -0.001 0.000 0.262 407 G HA3 0.053 4.013 3.960 -0.001 0.000 0.262 407 G C 0.899 175.828 174.900 0.048 0.000 0.765 407 G CA 0.398 45.554 45.100 0.093 0.000 2.051 407 G HN 0.228 nan 8.290 nan 0.000 0.602 408 S N -0.143 115.582 115.700 0.041 0.000 2.528 408 S HA -0.055 4.414 4.470 -0.001 0.000 0.244 408 S C 0.745 175.352 174.600 0.012 0.000 0.982 408 S CA 1.081 59.293 58.200 0.020 0.000 0.953 408 S CB 0.103 63.319 63.200 0.027 0.000 0.754 408 S HN 0.637 nan 8.310 nan 0.000 0.529 409 D N -0.186 120.221 120.400 0.011 0.000 4.135 409 D HA 0.147 4.786 4.640 -0.001 0.000 0.227 409 D C -1.005 175.299 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.171 40.629 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.807 122.044 121.223 0.023 0.000 2.375 410 L HA 0.484 4.823 4.340 -0.001 0.000 0.271 410 L C 0.767 177.657 176.870 0.033 0.000 1.107 410 L CA -1.072 53.789 54.840 0.034 0.000 0.806 410 L CB 0.489 42.594 42.059 0.076 0.000 1.146 410 L HN 0.217 nan 8.230 nan 0.000 0.447 411 D N 1.076 121.496 120.400 0.033 0.000 2.390 411 D HA 0.113 4.752 4.640 -0.001 0.000 0.236 411 D C 0.840 177.158 176.300 0.031 0.000 1.189 411 D CA -0.011 54.005 54.000 0.027 0.000 0.887 411 D CB 0.970 41.787 40.800 0.027 0.000 1.198 411 D HN 0.610 nan 8.370 nan 0.000 0.444 412 A N 1.166 123.998 122.820 0.020 0.000 2.239 412 A HA 0.210 4.529 4.320 -0.001 0.000 0.209 412 A C 2.024 179.618 177.584 0.017 0.000 1.171 412 A CA 1.061 53.108 52.037 0.016 0.000 0.768 412 A CB -0.944 18.060 19.000 0.007 0.000 0.790 412 A HN 0.671 nan 8.150 nan 0.000 0.478 413 A N 0.138 122.971 122.820 0.022 0.000 1.832 413 A HA -0.081 4.238 4.320 -0.001 0.000 0.214 413 A C 2.484 180.086 177.584 0.030 0.000 1.200 413 A CA 2.329 54.378 52.037 0.020 0.000 0.610 413 A CB -1.344 17.669 19.000 0.022 0.000 0.842 413 A HN 0.744 nan 8.150 nan 0.000 0.444 414 T N -2.295 112.290 114.554 0.052 0.000 2.904 414 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 414 T C 1.918 176.665 174.700 0.077 0.000 1.059 414 T CA 1.533 63.678 62.100 0.075 0.000 1.137 414 T CB -0.424 68.517 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.263 120.103 119.800 0.065 0.000 2.291 415 Q HA -0.219 4.120 4.340 -0.001 0.000 0.206 415 Q C 2.402 178.421 176.000 0.032 0.000 0.976 415 Q CA 1.566 57.404 55.803 0.057 0.000 0.875 415 Q CB -0.153 28.610 28.738 0.042 0.000 0.927 415 Q HN 0.647 nan 8.270 nan 0.000 0.450 416 Q N 0.812 120.624 119.800 0.019 0.000 2.020 416 Q HA -0.140 4.199 4.340 -0.001 0.000 0.198 416 Q C 2.120 178.114 176.000 -0.011 0.000 0.974 416 Q CA 1.977 57.776 55.803 -0.007 0.000 0.829 416 Q CB -0.528 28.201 28.738 -0.016 0.000 0.894 416 Q HN 0.569 nan 8.270 nan 0.000 0.433 417 L N -0.991 120.241 121.223 0.014 0.000 2.187 417 L HA -0.097 4.243 4.340 -0.001 0.000 0.213 417 L C 2.302 179.203 176.870 0.052 0.000 1.100 417 L CA 1.038 55.893 54.840 0.025 0.000 0.765 417 L CB -0.904 41.186 42.059 0.051 0.000 0.904 417 L HN 0.135 nan 8.230 nan 0.000 0.437 418 L N -0.095 121.183 121.223 0.092 0.000 2.056 418 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 418 L C 2.823 179.661 176.870 -0.054 0.000 1.078 418 L CA 1.133 56.058 54.840 0.142 0.000 0.749 418 L CB -0.573 41.586 42.059 0.167 0.000 0.901 418 L HN 0.219 nan 8.230 nan 0.000 0.433 419 S N -0.653 115.014 115.700 -0.055 0.000 2.348 419 S HA -0.145 4.324 4.470 -0.001 0.000 0.221 419 S C 2.132 176.627 174.600 -0.175 0.000 1.033 419 S CA 0.932 59.072 58.200 -0.101 0.000 1.010 419 S CB -0.195 62.963 63.200 -0.071 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 1.215 121.617 120.500 -0.163 0.000 2.103 420 R HA -0.054 4.285 4.340 -0.001 0.000 0.242 420 R C 2.395 178.508 176.300 -0.311 0.000 1.142 420 R CA 1.554 57.538 56.100 -0.193 0.000 0.960 420 R CB -1.592 28.621 30.300 -0.145 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.193 108.701 108.800 -0.486 0.000 2.553 421 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G C 1.473 175.737 174.900 -1.059 0.000 1.195 421 G CA 1.962 46.359 45.100 -1.172 0.000 0.779 421 G HN 0.357 nan 8.290 nan 0.000 0.577 422 V N -1.124 118.359 119.914 -0.718 0.000 2.515 422 V HA 0.041 4.161 4.120 -0.001 0.000 0.250 422 V C 2.679 178.645 176.094 -0.214 0.000 1.058 422 V CA 2.134 64.232 62.300 -0.337 0.000 1.064 422 V CB -0.557 31.177 31.823 -0.149 0.000 0.675 422 V HN 0.193 nan 8.190 nan 0.000 0.461 423 R N 0.392 120.762 120.500 -0.216 0.000 2.057 423 R HA 0.244 4.583 4.340 -0.001 0.000 0.229 423 R C 2.331 178.538 176.300 -0.154 0.000 1.136 423 R CA 1.755 57.756 56.100 -0.166 0.000 0.952 423 R CB -0.899 29.296 30.300 -0.175 0.000 0.848 423 R HN 0.489 nan 8.270 nan 0.000 0.430 424 L N -0.025 121.091 121.223 -0.180 0.000 2.043 424 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 424 L C 2.070 178.883 176.870 -0.095 0.000 1.075 424 L CA 1.722 56.484 54.840 -0.131 0.000 0.752 424 L CB -0.773 41.208 42.059 -0.131 0.000 0.891 424 L HN 0.314 nan 8.230 nan 0.000 0.432 425 T N -1.087 113.397 114.554 -0.115 0.000 2.788 425 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 425 T C 1.740 176.420 174.700 -0.033 0.000 1.044 425 T CA 1.106 63.177 62.100 -0.048 0.000 1.139 425 T CB -0.128 68.724 68.868 -0.027 0.000 0.867 425 T HN 0.306 nan 8.240 nan 0.000 0.454 426 E N 0.875 121.044 120.200 -0.051 0.000 2.268 426 E HA 0.053 4.402 4.350 -0.001 0.000 0.195 426 E C 2.120 178.707 176.600 -0.022 0.000 0.995 426 E CA 0.473 56.855 56.400 -0.031 0.000 0.836 426 E CB -0.189 29.488 29.700 -0.039 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.052 121.256 121.223 -0.032 0.000 2.313 427 L HA -0.035 4.305 4.340 -0.001 0.000 0.214 427 L C 2.166 179.035 176.870 -0.000 0.000 1.119 427 L CA 0.352 55.183 54.840 -0.014 0.000 0.809 427 L CB -0.155 41.889 42.059 -0.026 0.000 0.933 427 L HN 0.076 nan 8.230 nan 0.000 0.449 428 L N -0.686 120.533 121.223 -0.005 0.000 2.478 428 L HA -0.024 4.315 4.340 -0.001 0.000 0.223 428 L C 1.116 177.987 176.870 0.003 0.000 1.140 428 L CA 0.330 55.172 54.840 0.003 0.000 0.842 428 L CB -0.331 41.732 42.059 0.007 0.000 0.953 428 L HN 0.104 nan 8.230 nan 0.000 0.452 429 K N 0.817 121.216 120.400 -0.002 0.000 2.336 429 K HA 0.207 4.526 4.320 -0.001 0.000 0.262 429 K C -0.123 176.474 176.600 -0.005 0.000 0.992 429 K CA 0.419 56.701 56.287 -0.009 0.000 0.927 429 K CB 0.454 32.947 32.500 -0.011 0.000 0.956 429 K HN 0.036 nan 8.250 nan 0.000 0.495 430 Q N -0.526 119.265 119.800 -0.015 0.000 2.503 430 Q HA 0.210 4.549 4.340 -0.001 0.000 0.268 430 Q C -0.929 175.059 176.000 -0.021 0.000 0.982 430 Q CA -0.539 55.258 55.803 -0.010 0.000 0.907 430 Q CB 1.963 30.695 28.738 -0.010 0.000 1.467 430 Q HN 0.849 nan 8.270 nan 0.000 0.394 431 G N 1.066 109.861 108.800 -0.007 0.000 2.562 431 G HA2 0.341 4.300 3.960 -0.001 0.000 0.275 431 G HA3 0.341 4.300 3.960 -0.001 0.000 0.275 431 G C -0.533 174.346 174.900 -0.035 0.000 1.196 431 G CA -0.064 45.034 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.535 118.224 119.800 -0.069 0.000 2.256 432 Q HA 0.349 4.688 4.340 -0.001 0.000 0.232 432 Q C -0.335 175.547 176.000 -0.197 0.000 0.965 432 Q CA -0.481 55.142 55.803 -0.301 0.000 0.908 432 Q CB 0.514 28.930 28.738 -0.536 0.000 1.209 432 Q HN 0.566 nan 8.270 nan 0.000 0.489 433 Y N -1.399 118.906 120.300 0.009 0.000 4.538 433 Y HA -0.290 4.260 4.550 -0.001 0.000 0.225 433 Y C -0.176 175.724 175.900 0.001 0.000 1.074 433 Y CA 0.905 59.006 58.100 0.002 0.000 1.942 433 Y CB -2.449 36.010 38.460 -0.002 0.000 1.618 433 Y HN 0.404 nan 8.280 nan 0.000 0.642 434 S N -1.502 114.241 115.700 0.071 0.000 2.317 434 S HA 0.536 5.006 4.470 -0.001 0.000 0.144 434 S C -2.643 171.967 174.600 0.017 0.000 1.660 434 S CA -1.206 57.025 58.200 0.051 0.000 1.273 434 S CB 1.723 64.955 63.200 0.054 0.000 1.330 434 S HN 0.025 nan 8.310 nan 0.000 0.395 435 P HA 0.310 nan 4.420 nan 0.000 0.276 435 P C -0.054 177.245 177.300 -0.002 0.000 1.230 435 P CA -0.287 62.816 63.100 0.005 0.000 0.776 435 P CB 0.609 32.317 31.700 0.014 0.000 0.888 436 M N 1.028 120.628 119.600 -0.000 0.000 2.528 436 M HA 0.713 5.192 4.480 -0.001 0.000 0.318 436 M C 0.008 176.303 176.300 -0.008 0.000 1.195 436 M CA -1.243 54.052 55.300 -0.009 0.000 1.000 436 M CB 1.421 34.019 32.600 -0.003 0.000 1.615 436 M HN 0.190 nan 8.290 nan 0.000 0.469 437 A N 1.607 124.410 122.820 -0.029 0.000 2.450 437 A HA 0.285 4.604 4.320 -0.001 0.000 0.255 437 A C 0.931 178.516 177.584 0.003 0.000 1.096 437 A CA -0.547 51.472 52.037 -0.029 0.000 0.778 437 A CB -0.061 18.900 19.000 -0.065 0.000 1.031 437 A HN 0.937 nan 8.150 nan 0.000 0.494 438 I N 1.904 122.495 120.570 0.034 0.000 2.290 438 I HA -0.297 3.873 4.170 -0.001 0.000 0.253 438 I C 1.890 178.017 176.117 0.016 0.000 1.112 438 I CA 2.222 63.541 61.300 0.033 0.000 1.377 438 I CB -0.197 37.831 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.138 120.063 120.200 0.001 0.000 2.152 439 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 439 E C 2.065 178.654 176.600 -0.018 0.000 0.983 439 E CA 1.267 57.658 56.400 -0.013 0.000 0.818 439 E CB -0.263 29.420 29.700 -0.028 0.000 0.758 439 E HN 0.572 nan 8.360 nan 0.000 0.467 440 E N 0.711 120.899 120.200 -0.019 0.000 2.107 440 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 440 E C 2.045 178.658 176.600 0.021 0.000 0.982 440 E CA 0.837 57.226 56.400 -0.019 0.000 0.809 440 E CB 0.045 29.726 29.700 -0.031 0.000 0.756 440 E HN 0.299 nan 8.360 nan 0.000 0.459 441 Q N 0.192 120.006 119.800 0.024 0.000 2.046 441 Q HA -0.147 4.193 4.340 -0.001 0.000 0.200 441 Q C 2.601 178.635 176.000 0.057 0.000 0.975 441 Q CA 1.833 57.660 55.803 0.039 0.000 0.836 441 Q CB -0.320 28.436 28.738 0.031 0.000 0.896 441 Q HN 0.340 nan 8.270 nan 0.000 0.428 442 V N -1.004 118.939 119.914 0.048 0.000 2.407 442 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 442 V C 2.158 178.311 176.094 0.099 0.000 1.055 442 V CA 1.784 64.124 62.300 0.067 0.000 1.049 442 V CB -1.019 30.832 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.132 123.995 122.820 0.072 0.000 1.883 443 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 443 A C 2.561 180.298 177.584 0.256 0.000 1.186 443 A CA 3.001 55.106 52.037 0.114 0.000 0.624 443 A CB -1.110 17.932 19.000 0.070 0.000 0.822 443 A HN 1.278 nan 8.150 nan 0.000 0.444 444 V N -1.143 118.907 119.914 0.227 0.000 2.307 444 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 444 V C 2.137 178.310 176.094 0.132 0.000 1.045 444 V CA 1.816 64.244 62.300 0.213 0.000 1.024 444 V CB -0.815 31.119 31.823 0.186 0.000 0.651 444 V HN 0.433 nan 8.190 nan 0.000 0.449 445 I N 0.064 120.702 120.570 0.113 0.000 2.208 445 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 445 I C 2.628 178.806 176.117 0.102 0.000 1.097 445 I CA 2.689 64.035 61.300 0.076 0.000 1.363 445 I CB -1.498 36.541 38.000 0.065 0.000 1.051 445 I HN 0.567 nan 8.210 nan 0.000 0.413 446 Y N 2.318 122.630 120.300 0.020 0.000 2.151 446 Y HA -0.311 4.238 4.550 -0.001 0.000 0.284 446 Y C 2.636 178.557 175.900 0.035 0.000 1.166 446 Y CA 1.984 60.102 58.100 0.030 0.000 1.163 446 Y CB -0.440 38.053 38.460 0.055 0.000 0.974 446 Y HN 0.135 nan 8.280 nan 0.000 0.511 447 A N 0.211 123.152 122.820 0.201 0.000 1.884 447 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 447 A C 2.479 180.017 177.584 -0.077 0.000 1.197 447 A CA 2.330 54.401 52.037 0.055 0.000 0.637 447 A CB -1.740 17.176 19.000 -0.140 0.000 0.827 447 A HN 0.637 nan 8.150 nan 0.000 0.450 448 G N -1.596 107.126 108.800 -0.130 0.000 2.411 448 G HA2 0.071 4.030 3.960 -0.001 0.000 0.213 448 G HA3 0.071 4.030 3.960 -0.001 0.000 0.213 448 G C 1.502 176.286 174.900 -0.193 0.000 1.166 448 G CA 0.857 45.848 45.100 -0.182 0.000 0.802 448 G HN 0.304 nan 8.290 nan 0.000 0.533 449 V N 0.881 120.697 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.984 4.120 -0.001 0.000 0.248 449 V C 2.924 178.863 176.094 -0.258 0.000 1.055 449 V CA 1.640 63.838 62.300 -0.170 0.000 1.038 449 V CB -0.288 31.469 31.823 -0.110 0.000 0.651 449 V HN 0.195 nan 8.190 nan 0.000 0.450 450 R N -0.424 119.846 120.500 -0.384 0.000 2.280 450 R HA 0.057 4.396 4.340 -0.001 0.000 0.207 450 R C 1.801 177.743 176.300 -0.596 0.000 1.043 450 R CA 0.903 56.677 56.100 -0.544 0.000 1.006 450 R CB -0.592 29.223 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.769 107.748 108.800 -0.472 0.000 2.201 451 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G C 0.645 175.300 174.900 -0.409 0.000 0.994 451 G CA 0.134 44.984 45.100 -0.415 0.000 0.644 451 G HN 0.280 nan 8.290 nan 0.000 0.508 452 Y N 0.855 121.025 120.300 -0.217 0.000 2.241 452 Y HA 0.041 4.591 4.550 -0.001 0.000 0.286 452 Y C 2.713 178.446 175.900 -0.277 0.000 1.166 452 Y CA 1.804 59.778 58.100 -0.212 0.000 1.203 452 Y CB -0.319 38.020 38.460 -0.202 0.000 0.977 452 Y HN 0.409 nan 8.280 nan 0.000 0.529 453 L N -0.678 120.408 121.223 -0.227 0.000 2.611 453 L HA 0.085 4.425 4.340 -0.001 0.000 0.229 453 L C 0.931 177.678 176.870 -0.206 0.000 1.137 453 L CA 0.019 54.666 54.840 -0.322 0.000 0.901 453 L CB -0.256 41.530 42.059 -0.455 0.000 1.098 453 L HN 0.009 nan 8.230 nan 0.000 0.456 454 D N 1.541 121.841 120.400 -0.167 0.000 2.178 454 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 454 D C 1.733 177.978 176.300 -0.092 0.000 0.980 454 D CA 1.344 55.264 54.000 -0.133 0.000 0.842 454 D CB 0.084 40.804 40.800 -0.133 0.000 0.948 454 D HN 0.314 nan 8.370 nan 0.000 0.472 455 K N -0.538 119.819 120.400 -0.072 0.000 2.374 455 K HA 0.141 4.461 4.320 -0.001 0.000 0.196 455 K C 0.359 176.946 176.600 -0.021 0.000 1.023 455 K CA -0.387 55.879 56.287 -0.035 0.000 1.103 455 K CB 0.567 33.059 32.500 -0.013 0.000 0.848 455 K HN 0.003 nan 8.250 nan 0.000 0.528 456 L N 1.522 122.714 121.223 -0.051 0.000 2.453 456 L HA 0.116 4.455 4.340 -0.001 0.000 0.261 456 L C 0.042 176.903 176.870 -0.015 0.000 1.179 456 L CA 0.071 54.896 54.840 -0.026 0.000 0.813 456 L CB 0.709 42.692 42.059 -0.127 0.000 1.110 456 L HN 0.034 nan 8.230 nan 0.000 0.466 457 E N 3.942 124.163 120.200 0.035 0.000 2.259 457 E HA 0.132 4.481 4.350 -0.001 0.000 0.281 457 E C -1.783 174.828 176.600 0.018 0.000 1.037 457 E CA -1.567 54.852 56.400 0.031 0.000 0.854 457 E CB 1.349 31.086 29.700 0.062 0.000 1.051 457 E HN 0.472 nan 8.360 nan 0.000 0.409 458 P HA -0.266 nan 4.420 nan 0.000 0.217 458 P C 1.394 178.705 177.300 0.018 0.000 1.158 458 P CA 1.821 64.915 63.100 -0.011 0.000 0.887 458 P CB 0.074 31.768 31.700 -0.011 0.000 0.792 459 S N -1.466 114.255 115.700 0.035 0.000 2.465 459 S HA -0.160 4.309 4.470 -0.001 0.000 0.241 459 S C 1.571 176.223 174.600 0.087 0.000 1.000 459 S CA 1.369 59.600 58.200 0.053 0.000 0.964 459 S CB -0.740 62.490 63.200 0.051 0.000 0.763 459 S HN 0.109 nan 8.310 nan 0.000 0.512 460 K N 0.649 121.117 120.400 0.114 0.000 2.354 460 K HA 0.429 4.749 4.320 -0.001 0.000 0.194 460 K C 1.733 178.430 176.600 0.162 0.000 1.045 460 K CA 0.150 56.558 56.287 0.201 0.000 1.026 460 K CB -0.209 32.497 32.500 0.343 0.000 0.866 460 K HN 0.290 nan 8.250 nan 0.000 0.530 461 I N 1.284 121.892 120.570 0.063 0.000 2.185 461 I HA -0.324 3.845 4.170 -0.001 0.000 0.246 461 I C 1.366 177.541 176.117 0.096 0.000 1.088 461 I CA 1.683 62.997 61.300 0.023 0.000 1.347 461 I CB -1.509 36.462 38.000 -0.048 0.000 1.041 461 I HN 0.158 nan 8.210 nan 0.000 0.415 462 T N 0.617 115.223 114.554 0.087 0.000 2.788 462 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 462 T C 1.987 176.759 174.700 0.120 0.000 1.044 462 T CA 1.360 63.513 62.100 0.088 0.000 1.139 462 T CB -0.142 68.767 68.868 0.067 0.000 0.867 462 T HN 0.348 nan 8.240 nan 0.000 0.454 463 K N -0.025 120.474 120.400 0.166 0.000 2.116 463 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 463 K C 2.080 178.788 176.600 0.180 0.000 1.052 463 K CA 0.660 57.077 56.287 0.218 0.000 0.952 463 K CB -0.239 32.464 32.500 0.339 0.000 0.729 463 K HN 0.328 nan 8.250 nan 0.000 0.446 464 F N 2.541 122.423 119.950 -0.113 0.000 2.026 464 F HA -0.233 4.293 4.527 -0.001 0.000 0.296 464 F C 2.372 178.096 175.800 -0.128 0.000 1.133 464 F CA 2.144 59.895 58.000 -0.416 0.000 1.188 464 F CB -0.493 38.198 39.000 -0.514 0.000 0.968 464 F HN 0.139 nan 8.300 nan 0.000 0.476 465 E N 0.270 120.604 120.200 0.223 0.000 2.065 465 E HA -0.357 3.992 4.350 -0.001 0.000 0.201 465 E C 2.225 178.851 176.600 0.043 0.000 1.016 465 E CA 1.610 58.116 56.400 0.177 0.000 0.818 465 E CB -0.579 29.226 29.700 0.175 0.000 0.749 465 E HN 0.449 nan 8.360 nan 0.000 0.453 466 N N 0.227 118.955 118.700 0.048 0.000 2.037 466 N HA -0.222 4.517 4.740 -0.001 0.000 0.196 466 N C 1.709 177.227 175.510 0.014 0.000 1.034 466 N CA 2.038 55.111 53.050 0.038 0.000 0.861 466 N CB -0.357 38.173 38.487 0.070 0.000 1.039 466 N HN 0.285 nan 8.380 nan 0.000 0.427 467 A N -0.170 122.671 122.820 0.035 0.000 1.897 467 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 467 A C 2.160 179.726 177.584 -0.031 0.000 1.181 467 A CA 0.843 52.947 52.037 0.112 0.000 0.620 467 A CB -0.926 18.258 19.000 0.306 0.000 0.821 467 A HN 0.428 nan 8.150 nan 0.000 0.443 468 F N 0.206 119.792 119.950 -0.607 0.000 2.134 468 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 468 F C 1.730 177.209 175.800 -0.534 0.000 1.097 468 F CA 1.725 59.000 58.000 -1.209 0.000 1.264 468 F CB -0.285 37.827 39.000 -1.480 0.000 1.001 468 F HN 0.179 nan 8.300 nan 0.000 0.479 469 L N -0.177 120.813 121.223 -0.389 0.000 2.217 469 L HA -0.077 4.262 4.340 -0.001 0.000 0.211 469 L C 2.328 179.041 176.870 -0.261 0.000 1.107 469 L CA 1.579 56.212 54.840 -0.345 0.000 0.783 469 L CB -0.912 41.083 42.059 -0.106 0.000 0.919 469 L HN 0.118 nan 8.230 nan 0.000 0.442 470 S N -1.627 113.981 115.700 -0.154 0.000 2.387 470 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 470 S C 1.875 176.451 174.600 -0.040 0.000 1.026 470 S CA 1.171 59.336 58.200 -0.058 0.000 0.972 470 S CB -0.457 62.755 63.200 0.019 0.000 0.814 470 S HN 0.661 nan 8.310 nan 0.000 0.477 471 H N 2.053 121.023 119.070 -0.167 0.000 2.293 471 H HA -0.045 4.510 4.556 -0.001 0.000 0.300 471 H C 2.160 177.400 175.328 -0.147 0.000 1.082 471 H CA 2.075 58.063 56.048 -0.099 0.000 1.308 471 H CB -0.697 29.065 29.762 -0.000 0.000 1.375 471 H HN 0.217 nan 8.280 nan 0.000 0.495 472 V N -0.831 118.736 119.914 -0.579 0.000 2.809 472 V HA -0.047 4.072 4.120 -0.001 0.000 0.256 472 V C 2.304 178.233 176.094 -0.275 0.000 1.080 472 V CA 1.764 63.767 62.300 -0.495 0.000 1.102 472 V CB -0.761 30.670 31.823 -0.652 0.000 0.705 472 V HN 0.434 nan 8.190 nan 0.000 0.475 473 I N 0.867 121.296 120.570 -0.234 0.000 2.761 473 I HA -0.093 4.076 4.170 -0.001 0.000 0.261 473 I C 2.618 178.665 176.117 -0.117 0.000 1.198 473 I CA 1.389 62.600 61.300 -0.149 0.000 1.482 473 I CB 0.039 37.966 38.000 -0.121 0.000 1.100 473 I HN 0.547 nan 8.210 nan 0.000 0.445 474 S N 0.069 115.698 115.700 -0.117 0.000 2.324 474 S HA -0.086 4.383 4.470 -0.001 0.000 0.210 474 S C 1.917 176.449 174.600 -0.113 0.000 1.027 474 S CA 0.511 58.664 58.200 -0.077 0.000 0.945 474 S CB -0.096 63.097 63.200 -0.012 0.000 0.908 474 S HN 0.284 nan 8.310 nan 0.000 0.496 475 Q N -0.006 119.693 119.800 -0.168 0.000 2.096 475 Q HA 0.017 4.356 4.340 -0.001 0.000 0.197 475 Q C 0.643 176.374 176.000 -0.447 0.000 0.964 475 Q CA 1.130 56.767 55.803 -0.278 0.000 0.838 475 Q CB -0.320 28.235 28.738 -0.304 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.610 119.512 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.725 4.556 -0.001 0.000 0.302 476 H C 0.813 176.037 175.328 -0.172 0.000 1.163 476 H CA -0.105 55.810 56.048 -0.221 0.000 1.049 476 H CB 0.236 29.831 29.762 -0.278 0.000 1.543 476 H HN 0.142 nan 8.280 nan 0.000 0.523 477 Q N 0.083 119.831 119.800 -0.087 0.000 2.541 477 Q HA 0.003 4.342 4.340 -0.001 0.000 0.215 477 Q C 1.610 177.577 176.000 -0.056 0.000 0.977 477 Q CA 0.660 56.420 55.803 -0.072 0.000 0.934 477 Q CB 0.343 29.034 28.738 -0.077 0.000 0.988 477 Q HN 0.609 nan 8.270 nan 0.000 0.521 478 A N 0.092 122.884 122.820 -0.048 0.000 2.044 478 A HA 0.036 4.355 4.320 -0.001 0.000 0.213 478 A C 1.812 179.383 177.584 -0.022 0.000 1.169 478 A CA 0.016 52.031 52.037 -0.036 0.000 0.724 478 A CB -0.067 18.910 19.000 -0.039 0.000 0.840 478 A HN 0.347 nan 8.150 nan 0.000 0.463 479 L N -0.447 120.772 121.223 -0.007 0.000 2.127 479 L HA 0.019 4.358 4.340 -0.001 0.000 0.203 479 L C 2.213 179.055 176.870 -0.046 0.000 1.080 479 L CA 0.950 55.778 54.840 -0.020 0.000 0.768 479 L CB -0.223 41.824 42.059 -0.020 0.000 0.924 479 L HN 0.379 nan 8.230 nan 0.000 0.444 480 L N 0.039 121.230 121.223 -0.053 0.000 2.083 480 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 480 L C 3.029 179.871 176.870 -0.046 0.000 1.083 480 L CA 1.382 56.186 54.840 -0.061 0.000 0.752 480 L CB -1.024 40.991 42.059 -0.074 0.000 0.899 480 L HN 0.395 nan 8.230 nan 0.000 0.433 481 S N 0.129 115.804 115.700 -0.042 0.000 2.399 481 S HA -0.192 4.277 4.470 -0.001 0.000 0.231 481 S C 2.107 176.691 174.600 -0.027 0.000 1.022 481 S CA 1.387 59.566 58.200 -0.034 0.000 0.983 481 S CB -0.185 nan 63.200 nan 0.000 0.803 481 S HN 0.313 nan 8.310 nan 0.000 0.480 482 K N 0.343 120.726 120.400 -0.028 0.000 1.967 482 K HA 0.073 4.392 4.320 -0.001 0.000 0.212 482 K C 1.882 178.467 176.600 -0.025 0.000 1.044 482 K CA 1.263 57.535 56.287 -0.024 0.000 0.942 482 K CB -0.453 32.032 32.500 -0.025 0.000 0.726 482 K HN 0.405 nan 8.250 nan 0.000 0.440 483 I N 1.172 121.721 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.733 4.170 -0.001 0.000 0.243 483 I C 2.763 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.484 62.764 61.300 -0.034 0.000 1.308 483 I CB -0.305 37.665 38.000 -0.049 0.000 1.015 483 I HN 0.283 nan 8.210 nan 0.000 0.410 484 R N 0.247 120.735 120.500 -0.021 0.000 2.127 484 R HA -0.200 4.139 4.340 -0.001 0.000 0.228 484 R C 2.303 178.598 176.300 -0.007 0.000 1.125 484 R CA 2.713 58.806 56.100 -0.011 0.000 0.904 484 R CB -0.756 29.535 30.300 -0.015 0.000 0.831 484 R HN 0.253 nan 8.270 nan 0.000 0.431 485 T N 1.251 115.799 114.554 -0.010 0.000 2.516 485 T HA -0.186 4.163 4.350 -0.001 0.000 0.261 485 T C 1.302 175.998 174.700 -0.007 0.000 1.130 485 T CA 2.136 64.231 62.100 -0.008 0.000 1.193 485 T CB -0.698 68.164 68.868 -0.010 0.000 0.864 485 T HN 0.399 nan 8.240 nan 0.000 0.410 486 D N 0.339 120.734 120.400 -0.009 0.000 2.357 486 D HA 0.017 4.656 4.640 -0.001 0.000 0.216 486 D C 1.629 177.926 176.300 -0.005 0.000 0.973 486 D CA 1.151 55.147 54.000 -0.007 0.000 0.912 486 D CB -0.805 39.990 40.800 -0.008 0.000 0.900 486 D HN 0.610 nan 8.370 nan 0.000 0.501 487 G N 0.313 109.109 108.800 -0.006 0.000 2.205 487 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.269 487 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.269 487 G C 0.474 175.372 174.900 -0.002 0.000 0.977 487 G CA 1.491 46.588 45.100 -0.004 0.000 0.652 487 G HN 0.630 nan 8.290 nan 0.000 0.539 488 K N -1.768 118.630 120.400 -0.003 0.000 2.305 488 K HA 0.786 5.105 4.320 -0.001 0.000 0.268 488 K C -1.056 175.541 176.600 -0.004 0.000 1.034 488 K CA -1.369 54.919 56.287 0.002 0.000 0.879 488 K CB 0.865 33.369 32.500 0.007 0.000 1.506 488 K HN 0.073 nan 8.250 nan 0.000 0.425 489 I N 2.815 123.388 120.570 0.004 0.000 2.310 489 I HA 0.133 4.302 4.170 -0.001 0.000 0.287 489 I C -0.191 175.929 176.117 0.005 0.000 1.073 489 I CA -0.067 61.227 61.300 -0.009 0.000 1.216 489 I CB 1.284 39.279 38.000 -0.008 0.000 1.415 489 I HN 0.710 nan 8.210 nan 0.000 0.480 490 S N 3.500 119.197 115.700 -0.005 0.000 2.580 490 S HA 0.045 4.514 4.470 -0.001 0.000 0.266 490 S C 1.221 175.830 174.600 0.014 0.000 1.354 490 S CA -0.400 57.803 58.200 0.005 0.000 1.008 490 S CB 0.840 64.039 63.200 -0.000 0.000 0.898 490 S HN 0.713 nan 8.310 nan 0.000 0.555 491 E N 0.572 120.785 120.200 0.021 0.000 2.160 491 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 491 E C 1.707 178.324 176.600 0.029 0.000 0.991 491 E CA 1.276 57.695 56.400 0.032 0.000 0.810 491 E CB -0.019 29.698 29.700 0.028 0.000 0.742 491 E HN 0.797 nan 8.360 nan 0.000 0.466 492 E N -0.098 120.112 120.200 0.016 0.000 1.999 492 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 492 E C 2.166 178.766 176.600 0.001 0.000 0.995 492 E CA 1.074 57.481 56.400 0.012 0.000 0.825 492 E CB -0.094 29.609 29.700 0.006 0.000 0.777 492 E HN 0.085 nan 8.360 nan 0.000 0.459 493 S N 1.295 116.985 115.700 -0.016 0.000 2.423 493 S HA -0.214 4.255 4.470 -0.001 0.000 0.238 493 S C 1.529 176.083 174.600 -0.077 0.000 1.028 493 S CA 1.175 59.346 58.200 -0.048 0.000 1.000 493 S CB -0.347 62.817 63.200 -0.060 0.000 0.797 493 S HN 0.311 nan 8.310 nan 0.000 0.487 494 D N 1.313 121.693 120.400 -0.033 0.000 2.097 494 D HA -0.078 4.561 4.640 -0.001 0.000 0.195 494 D C 2.120 178.453 176.300 0.054 0.000 0.989 494 D CA 1.303 55.306 54.000 0.004 0.000 0.827 494 D CB -0.156 40.701 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.883 123.735 122.820 0.054 0.000 1.933 495 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 495 A C 2.173 179.780 177.584 0.038 0.000 1.175 495 A CA 1.830 53.906 52.037 0.065 0.000 0.628 495 A CB -0.462 18.569 19.000 0.051 0.000 0.814 495 A HN 0.239 nan 8.150 nan 0.000 0.444 496 K N -0.480 119.923 120.400 0.005 0.000 2.097 496 K HA 0.006 4.326 4.320 -0.001 0.000 0.205 496 K C 1.810 178.380 176.600 -0.051 0.000 1.050 496 K CA 1.132 57.413 56.287 -0.010 0.000 0.938 496 K CB -0.290 32.201 32.500 -0.014 0.000 0.718 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 L N 1.110 122.277 121.223 -0.094 0.000 2.056 497 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 497 L C 2.584 179.444 176.870 -0.017 0.000 1.078 497 L CA 1.430 56.192 54.840 -0.130 0.000 0.749 497 L CB -0.358 41.465 42.059 -0.393 0.000 0.901 497 L HN 0.233 nan 8.230 nan 0.000 0.433 498 K N 0.087 120.529 120.400 0.071 0.000 2.020 498 K HA -0.292 4.027 4.320 -0.001 0.000 0.212 498 K C 1.999 178.561 176.600 -0.063 0.000 1.050 498 K CA 2.087 58.402 56.287 0.048 0.000 0.929 498 K CB -0.012 32.590 32.500 0.169 0.000 0.714 498 K HN 0.116 nan 8.250 nan 0.000 0.443 499 E N 0.705 120.906 120.200 0.003 0.000 2.051 499 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 499 E C 1.921 178.543 176.600 0.035 0.000 0.991 499 E CA 1.489 57.902 56.400 0.022 0.000 0.799 499 E CB -0.141 29.587 29.700 0.046 0.000 0.748 499 E HN 0.370 nan 8.360 nan 0.000 0.449 500 I N 0.131 120.712 120.570 0.018 0.000 2.194 500 I HA -0.285 3.884 4.170 -0.001 0.000 0.246 500 I C 2.334 178.561 176.117 0.183 0.000 1.093 500 I CA 1.403 62.738 61.300 0.058 0.000 1.355 500 I CB -0.425 37.483 38.000 -0.153 0.000 1.046 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -1.825 118.121 119.914 0.053 0.000 2.649 501 V HA -0.095 4.025 4.120 -0.001 0.000 0.248 501 V C 2.362 178.442 176.094 -0.023 0.000 1.054 501 V CA 1.634 63.927 62.300 -0.012 0.000 1.073 501 V CB -1.155 30.473 31.823 -0.325 0.000 0.699 501 V HN 0.545 nan 8.190 nan 0.000 0.463 502 T N -2.462 112.025 114.554 -0.111 0.000 3.055 502 T HA -0.006 4.343 4.350 -0.001 0.000 0.265 502 T C 1.656 176.405 174.700 0.082 0.000 1.111 502 T CA 1.301 63.386 62.100 -0.025 0.000 1.118 502 T CB -0.534 68.316 68.868 -0.030 0.000 0.909 502 T HN 0.501 nan 8.240 nan 0.000 0.501 503 N N -0.046 118.726 118.700 0.120 0.000 2.432 503 N HA 0.199 4.938 4.740 -0.001 0.000 0.174 503 N C 1.197 176.798 175.510 0.153 0.000 1.037 503 N CA 0.285 53.409 53.050 0.122 0.000 0.892 503 N CB -0.247 38.308 38.487 0.114 0.000 1.049 503 N HN 0.379 nan 8.380 nan 0.000 0.442 504 F N 2.054 122.063 119.950 0.099 0.000 2.146 504 F HA 0.062 4.588 4.527 -0.001 0.000 0.298 504 F C 2.154 178.057 175.800 0.172 0.000 1.096 504 F CA 0.805 58.871 58.000 0.110 0.000 1.275 504 F CB -0.222 38.890 39.000 0.186 0.000 1.008 504 F HN -0.096 nan 8.300 nan 0.000 0.480 505 L N -0.356 121.149 121.223 0.470 0.000 2.017 505 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 505 L C 2.741 179.782 176.870 0.284 0.000 1.073 505 L CA 1.310 56.420 54.840 0.450 0.000 0.745 505 L CB -0.925 41.327 42.059 0.321 0.000 0.894 505 L HN 0.259 nan 8.230 nan 0.000 0.432 506 A N -0.028 122.894 122.820 0.169 0.000 1.865 506 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 506 A C 2.332 179.946 177.584 0.050 0.000 1.191 506 A CA 1.924 54.019 52.037 0.097 0.000 0.623 506 A CB -1.440 17.599 19.000 0.066 0.000 0.826 506 A HN 0.489 nan 8.150 nan 0.000 0.444 507 G N -1.279 107.517 108.800 -0.006 0.000 2.514 507 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 507 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 507 G C 1.462 176.315 174.900 -0.079 0.000 1.198 507 G CA 1.235 46.269 45.100 -0.111 0.000 0.780 507 G HN 0.454 nan 8.290 nan 0.000 0.565 508 F N 1.448 121.287 119.950 -0.184 0.000 2.115 508 F HA -0.097 4.430 4.527 -0.001 0.000 0.300 508 F C 2.135 177.940 175.800 0.009 0.000 1.092 508 F CA 1.810 59.770 58.000 -0.066 0.000 1.245 508 F CB 0.120 39.201 39.000 0.134 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.266 120.518 120.200 0.087 0.000 2.411 509 E HA 0.342 4.691 4.350 -0.001 0.000 0.228 509 E C 0.044 176.622 176.600 -0.037 0.000 1.169 509 E CA -0.285 56.116 56.400 0.003 0.000 1.421 509 E CB 0.037 29.805 29.700 0.115 0.000 1.333 509 E HN 0.312 nan 8.360 nan 0.000 0.434 510 A N 0.000 122.769 122.820 -0.085 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 510 A CB 0.000 18.955 19.000 -0.074 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486