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 1w17_1_B DATA FIRST_RESID 24 DATA SEQUENCE VPNEPINWGF KRSVNHQPPD AGKQLNSLIE KYDAFYLGNT KEKTIYLTFD DATA SEQUENCE NGYENGYTPK VLDVLKKHRV TGTFFVTGHF VKDQPQLIKR MSDEGHIIGN DATA SEQUENCE HSFHHPDLTT KTADQIQDEL DSVNEEVYKI TGKQDNLYLR PPRGVFSEYV DATA SEQUENCE LKETKRLGYQ TVFWSVAFVD WKINNQKGKK YAYDHMIKQA HPGAIYLLHT DATA SEQUENCE VSRDNAEALD DAITDLKKQG YTFKSIDDLM FEKEM 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 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 176.152 176.094 0.097 0.000 1.182 24 V CA 0.000 62.374 62.300 0.124 0.000 1.235 24 V CB 0.000 31.928 31.823 0.175 0.000 1.184 25 P HA 0.352 nan 4.420 nan 0.000 0.268 25 P C -0.245 177.090 177.300 0.058 0.000 1.205 25 P CA 0.106 63.233 63.100 0.045 0.000 0.771 25 P CB 0.245 31.966 31.700 0.035 0.000 0.858 26 N N 1.374 120.079 118.700 0.008 0.000 2.467 26 N HA 0.003 4.743 4.740 -0.000 0.000 0.278 26 N C -0.449 175.052 175.510 -0.015 0.000 1.306 26 N CA -0.116 52.943 53.050 0.015 0.000 0.905 26 N CB 0.280 38.695 38.487 -0.119 0.000 1.236 26 N HN 0.330 nan 8.380 nan 0.000 0.509 27 E N 2.062 122.245 120.200 -0.028 0.000 2.265 27 E HA 0.179 4.529 4.350 -0.000 0.000 0.272 27 E C -2.344 174.199 176.600 -0.095 0.000 1.067 27 E CA -1.641 54.724 56.400 -0.058 0.000 0.900 27 E CB 1.124 30.788 29.700 -0.061 0.000 1.017 27 E HN 0.323 nan 8.360 nan 0.000 0.431 28 P HA 0.097 nan 4.420 nan 0.000 0.266 28 P C -0.393 176.779 177.300 -0.213 0.000 1.195 28 P CA 0.439 63.467 63.100 -0.121 0.000 0.768 28 P CB 0.496 32.154 31.700 -0.069 0.000 0.838 29 I N 2.435 122.784 120.570 -0.369 0.000 2.533 29 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 29 I C 0.074 175.979 176.117 -0.353 0.000 1.056 29 I CA -0.593 60.406 61.300 -0.503 0.000 1.057 29 I CB 2.057 39.446 38.000 -1.018 0.000 1.240 29 I HN 0.200 nan 8.210 nan 0.000 0.423 30 N N 5.462 124.068 118.700 -0.158 0.000 2.426 30 N HA 0.161 4.901 4.740 -0.000 0.000 0.275 30 N C -0.917 174.625 175.510 0.054 0.000 1.019 30 N CA -0.530 52.534 53.050 0.023 0.000 0.941 30 N CB 1.824 40.307 38.487 -0.006 0.000 1.123 30 N HN 0.550 nan 8.380 nan 0.000 0.486 31 W N 3.340 124.691 121.300 0.084 0.000 2.251 31 W HA 0.308 4.968 4.660 -0.000 0.000 0.327 31 W C -0.329 176.070 176.519 -0.199 0.000 1.361 31 W CA 0.099 57.327 57.345 -0.196 0.000 1.234 31 W CB 0.798 29.891 29.460 -0.611 0.000 1.212 31 W HN 0.571 nan 8.180 nan 0.000 0.557 32 G N 4.946 113.044 108.800 -1.170 0.000 2.547 32 G HA2 0.663 4.623 3.960 -0.000 0.000 0.291 32 G HA3 0.663 4.623 3.960 -0.000 0.000 0.291 32 G C -2.071 172.344 174.900 -0.808 0.000 1.471 32 G CA -0.819 43.804 45.100 -0.794 0.000 0.798 32 G HN 0.763 nan 8.290 nan 0.000 0.504 33 F N -1.958 117.658 119.950 -0.557 0.000 2.799 33 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 33 F C -0.758 174.910 175.800 -0.220 0.000 1.155 33 F CA -1.582 56.149 58.000 -0.448 0.000 0.916 33 F CB 1.044 39.743 39.000 -0.501 0.000 1.294 33 F HN 0.480 nan 8.300 nan 0.000 0.447 34 K N 2.102 122.480 120.400 -0.037 0.000 2.368 34 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 34 K C -0.002 176.683 176.600 0.142 0.000 1.035 34 K CA -0.489 55.779 56.287 -0.032 0.000 0.973 34 K CB 0.681 33.177 32.500 -0.007 0.000 0.957 34 K HN 0.590 nan 8.250 nan 0.000 0.474 35 R N 0.872 121.406 120.500 0.057 0.000 2.784 35 R HA -0.023 4.317 4.340 -0.000 0.000 0.266 35 R C 0.424 176.827 176.300 0.172 0.000 1.044 35 R CA -0.027 56.193 56.100 0.200 0.000 1.151 35 R CB 0.428 30.789 30.300 0.101 0.000 1.037 35 R HN 0.550 nan 8.270 nan 0.000 0.478 36 S N 0.637 116.444 115.700 0.178 0.000 2.549 36 S HA 0.162 4.632 4.470 -0.000 0.000 0.286 36 S C -0.241 174.372 174.600 0.021 0.000 1.314 36 S CA -0.593 57.632 58.200 0.041 0.000 1.062 36 S CB 0.444 63.667 63.200 0.038 0.000 0.865 36 S HN 0.284 nan 8.310 nan 0.000 0.498 37 V N 5.712 125.616 119.914 -0.017 0.000 2.789 37 V HA 0.485 4.605 4.120 -0.000 0.000 0.311 37 V C 0.079 176.133 176.094 -0.067 0.000 1.073 37 V CA -0.996 61.275 62.300 -0.047 0.000 0.921 37 V CB 1.739 33.547 31.823 -0.025 0.000 1.009 37 V HN 1.054 nan 8.190 nan 0.000 0.426 38 N N 3.746 122.363 118.700 -0.138 0.000 2.714 38 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 38 N C 0.391 175.892 175.510 -0.015 0.000 1.117 38 N CA 1.205 54.192 53.050 -0.105 0.000 0.719 38 N CB -0.994 37.488 38.487 -0.009 0.000 1.081 38 N HN 1.064 nan 8.380 nan 0.000 0.557 39 H N -2.770 116.356 119.070 0.094 0.000 2.899 39 H HA -0.156 4.400 4.556 -0.000 0.000 0.282 39 H C 0.075 175.492 175.328 0.148 0.000 1.198 39 H CA 1.270 57.410 56.048 0.152 0.000 1.140 39 H CB -1.130 28.723 29.762 0.152 0.000 1.317 39 H HN 0.440 nan 8.280 nan 0.000 0.375 40 Q N 0.335 120.214 119.800 0.132 0.000 2.235 40 Q HA 0.396 4.735 4.340 -0.000 0.000 0.256 40 Q C -2.145 173.817 176.000 -0.064 0.000 0.951 40 Q CA -2.019 53.826 55.803 0.071 0.000 0.890 40 Q CB 1.242 30.001 28.738 0.034 0.000 1.279 40 Q HN 0.115 nan 8.270 nan 0.000 0.444 41 P HA 0.133 nan 4.420 nan 0.000 0.268 41 P C -2.300 174.873 177.300 -0.212 0.000 1.205 41 P CA -0.761 62.156 63.100 -0.304 0.000 0.771 41 P CB -0.051 31.626 31.700 -0.038 0.000 0.858 42 P HA 0.263 nan 4.420 nan 0.000 0.276 42 P C -1.019 176.322 177.300 0.068 0.000 1.261 42 P CA -0.021 63.051 63.100 -0.046 0.000 0.800 42 P CB 0.710 32.403 31.700 -0.011 0.000 1.066 43 D N -0.621 119.833 120.400 0.091 0.000 2.936 43 D HA 0.324 4.964 4.640 -0.000 0.000 0.238 43 D C -0.117 176.209 176.300 0.043 0.000 1.248 43 D CA -0.595 53.493 54.000 0.146 0.000 0.903 43 D CB 2.020 42.880 40.800 0.099 0.000 1.544 43 D HN 0.272 nan 8.370 nan 0.000 0.543 44 A N 2.438 125.238 122.820 -0.033 0.000 2.235 44 A HA 0.482 4.802 4.320 -0.000 0.000 0.208 44 A C 1.111 178.619 177.584 -0.126 0.000 1.172 44 A CA 0.956 52.840 52.037 -0.256 0.000 0.786 44 A CB -0.565 18.042 19.000 -0.655 0.000 0.804 44 A HN 0.999 nan 8.150 nan 0.000 0.479 45 G N -0.955 107.840 108.800 -0.009 0.000 2.690 45 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 45 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 45 G C 0.339 175.260 174.900 0.035 0.000 1.277 45 G CA -0.063 45.037 45.100 0.000 0.000 0.799 45 G HN 0.215 nan 8.290 nan 0.000 0.613 46 K N 0.050 120.470 120.400 0.033 0.000 2.034 46 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 46 K C 2.749 179.382 176.600 0.056 0.000 1.051 46 K CA 2.228 58.544 56.287 0.047 0.000 0.931 46 K CB -0.195 32.324 32.500 0.032 0.000 0.715 46 K HN 0.604 nan 8.250 nan 0.000 0.446 47 Q N 0.345 120.165 119.800 0.033 0.000 2.045 47 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 47 Q C 2.220 178.264 176.000 0.074 0.000 0.991 47 Q CA 1.278 57.104 55.803 0.038 0.000 0.851 47 Q CB -0.287 28.452 28.738 0.002 0.000 0.911 47 Q HN 0.208 nan 8.270 nan 0.000 0.418 48 L N 1.407 122.666 121.223 0.060 0.000 2.156 48 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 48 L C 1.845 178.852 176.870 0.228 0.000 1.095 48 L CA 1.312 56.228 54.840 0.127 0.000 0.770 48 L CB -0.784 41.270 42.059 -0.008 0.000 0.914 48 L HN 0.158 nan 8.230 nan 0.000 0.439 49 N N -1.007 117.815 118.700 0.202 0.000 2.084 49 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 49 N C 1.953 177.584 175.510 0.202 0.000 1.030 49 N CA 1.516 54.718 53.050 0.253 0.000 0.849 49 N CB -0.321 38.287 38.487 0.202 0.000 1.012 49 N HN 0.194 nan 8.380 nan 0.000 0.423 50 S N 1.324 117.115 115.700 0.151 0.000 2.356 50 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 50 S C 2.023 176.720 174.600 0.163 0.000 1.032 50 S CA 0.604 58.879 58.200 0.125 0.000 1.005 50 S CB -0.377 62.879 63.200 0.093 0.000 0.867 50 S HN 0.298 nan 8.310 nan 0.000 0.449 51 L N 0.583 121.931 121.223 0.209 0.000 2.046 51 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 51 L C 2.057 179.156 176.870 0.382 0.000 1.077 51 L CA 1.185 56.205 54.840 0.300 0.000 0.747 51 L CB -0.256 41.982 42.059 0.298 0.000 0.896 51 L HN 0.199 nan 8.230 nan 0.000 0.432 52 I N 0.511 121.287 120.570 0.343 0.000 2.113 52 I HA -0.323 3.847 4.170 -0.000 0.000 0.238 52 I C 2.442 178.724 176.117 0.274 0.000 1.070 52 I CA 1.666 63.171 61.300 0.340 0.000 1.332 52 I CB -0.552 37.663 38.000 0.357 0.000 1.044 52 I HN 0.284 nan 8.210 nan 0.000 0.402 53 E N -0.212 120.112 120.200 0.208 0.000 2.209 53 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 53 E C 2.078 178.719 176.600 0.068 0.000 0.993 53 E CA 0.628 57.107 56.400 0.132 0.000 0.819 53 E CB -0.103 29.655 29.700 0.096 0.000 0.745 53 E HN 0.255 nan 8.360 nan 0.000 0.477 54 K N 0.094 120.523 120.400 0.047 0.000 2.280 54 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 54 K C 0.466 176.803 176.600 -0.438 0.000 1.047 54 K CA 1.106 57.287 56.287 -0.177 0.000 0.942 54 K CB 0.162 32.546 32.500 -0.193 0.000 0.739 54 K HN 0.271 nan 8.250 nan 0.000 0.457 55 Y N 0.191 120.549 120.300 0.096 0.000 2.682 55 Y HA 0.151 4.701 4.550 -0.000 0.000 0.251 55 Y C -0.140 175.806 175.900 0.077 0.000 1.172 55 Y CA -0.633 57.515 58.100 0.081 0.000 1.186 55 Y CB 0.678 39.190 38.460 0.085 0.000 1.216 55 Y HN 0.076 nan 8.280 nan 0.000 0.540 56 D N -0.386 120.112 120.400 0.164 0.000 3.059 56 D HA -0.193 4.447 4.640 -0.000 0.000 0.220 56 D C 0.600 177.033 176.300 0.222 0.000 1.169 56 D CA 0.954 55.054 54.000 0.168 0.000 0.902 56 D CB -0.955 39.925 40.800 0.134 0.000 1.116 56 D HN 0.386 nan 8.370 nan 0.000 0.417 57 A N -0.054 122.869 122.820 0.171 0.000 2.313 57 A HA 0.606 4.926 4.320 -0.000 0.000 0.261 57 A C 0.186 177.842 177.584 0.120 0.000 1.090 57 A CA -0.039 51.994 52.037 -0.006 0.000 0.807 57 A CB 0.427 19.388 19.000 -0.066 0.000 1.055 57 A HN 0.304 nan 8.150 nan 0.000 0.492 58 F N -3.159 116.762 119.950 -0.049 0.000 2.686 58 F HA 0.587 5.114 4.527 -0.000 0.000 0.311 58 F C -0.360 175.424 175.800 -0.027 0.000 1.128 58 F CA -0.996 56.983 58.000 -0.034 0.000 0.946 58 F CB 1.070 40.004 39.000 -0.111 0.000 1.336 58 F HN 0.540 nan 8.300 nan 0.000 0.457 59 Y N -0.381 119.950 120.300 0.052 0.000 2.499 59 Y HA 0.726 5.276 4.550 -0.000 0.000 0.253 59 Y C -1.119 174.838 175.900 0.095 0.000 1.105 59 Y CA -0.803 57.253 58.100 -0.072 0.000 1.240 59 Y CB 0.221 38.558 38.460 -0.204 0.000 1.289 59 Y HN 0.398 nan 8.280 nan 0.000 0.534 60 L N 0.497 121.667 121.223 -0.089 0.000 2.371 60 L HA 0.826 5.166 4.340 -0.000 0.000 0.262 60 L C 0.516 177.320 176.870 -0.111 0.000 1.006 60 L CA -1.011 53.790 54.840 -0.065 0.000 0.818 60 L CB 2.286 44.218 42.059 -0.211 0.000 1.354 60 L HN 0.242 nan 8.230 nan 0.000 0.415 61 G N -0.224 108.522 108.800 -0.089 0.000 2.882 61 G HA2 0.057 4.017 3.960 -0.000 0.000 0.164 61 G HA3 0.057 4.017 3.960 -0.000 0.000 0.164 61 G C -0.369 174.525 174.900 -0.010 0.000 1.429 61 G CA -0.326 44.622 45.100 -0.253 0.000 1.059 61 G HN 0.517 nan 8.290 nan 0.000 0.581 62 N N 0.850 119.628 118.700 0.131 0.000 2.399 62 N HA 0.087 4.827 4.740 -0.000 0.000 0.259 62 N C 1.459 177.021 175.510 0.086 0.000 1.160 62 N CA 0.406 53.499 53.050 0.071 0.000 0.946 62 N CB 0.873 39.403 38.487 0.071 0.000 1.156 62 N HN 0.389 nan 8.380 nan 0.000 0.489 63 T N 0.455 115.040 114.554 0.052 0.000 3.160 63 T HA 0.050 4.400 4.350 -0.000 0.000 0.257 63 T C 0.992 175.714 174.700 0.038 0.000 1.147 63 T CA 0.765 62.906 62.100 0.067 0.000 1.064 63 T CB -0.053 68.847 68.868 0.053 0.000 0.949 63 T HN 0.410 nan 8.240 nan 0.000 0.526 64 K N 1.248 121.657 120.400 0.015 0.000 2.404 64 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 64 K C 0.591 177.179 176.600 -0.020 0.000 1.023 64 K CA 0.155 56.439 56.287 -0.004 0.000 1.094 64 K CB 0.239 32.733 32.500 -0.011 0.000 0.841 64 K HN 0.770 nan 8.250 nan 0.000 0.523 65 E N -0.133 120.054 120.200 -0.021 0.000 2.393 65 E HA 0.261 4.611 4.350 -0.000 0.000 0.273 65 E C -1.126 175.419 176.600 -0.092 0.000 0.918 65 E CA -1.059 55.306 56.400 -0.060 0.000 0.773 65 E CB 1.299 30.968 29.700 -0.051 0.000 1.275 65 E HN -0.243 nan 8.360 nan 0.000 0.451 66 K N 1.438 121.724 120.400 -0.190 0.000 2.243 66 K HA 0.155 4.474 4.320 -0.000 0.000 0.232 66 K C -1.026 175.443 176.600 -0.219 0.000 1.237 66 K CA 0.322 56.388 56.287 -0.368 0.000 1.161 66 K CB -0.095 32.029 32.500 -0.627 0.000 1.505 66 K HN 0.401 nan 8.250 nan 0.000 0.271 67 T N 2.046 116.545 114.554 -0.092 0.000 2.876 67 T HA 0.518 4.868 4.350 -0.000 0.000 0.289 67 T C -0.439 174.031 174.700 -0.384 0.000 1.014 67 T CA -0.577 61.371 62.100 -0.253 0.000 0.986 67 T CB 1.420 70.086 68.868 -0.337 0.000 1.021 67 T HN 0.209 nan 8.240 nan 0.000 0.458 68 I N 2.260 122.408 120.570 -0.704 0.000 2.608 68 I HA 0.457 4.626 4.170 -0.000 0.000 0.295 68 I C -1.405 174.311 176.117 -0.669 0.000 1.049 68 I CA -1.083 59.784 61.300 -0.722 0.000 1.063 68 I CB 2.032 39.412 38.000 -1.033 0.000 1.248 68 I HN 0.632 nan 8.210 nan 0.000 0.424 69 Y N 5.680 125.916 120.300 -0.106 0.000 2.328 69 Y HA 0.514 5.064 4.550 -0.000 0.000 0.336 69 Y C -0.344 175.539 175.900 -0.028 0.000 0.960 69 Y CA -0.772 57.323 58.100 -0.009 0.000 1.134 69 Y CB 1.187 39.661 38.460 0.023 0.000 1.166 69 Y HN 0.220 nan 8.280 nan 0.000 0.464 70 L N 4.448 125.719 121.223 0.080 0.000 2.305 70 L HA 0.569 4.908 4.340 -0.000 0.000 0.281 70 L C 0.291 177.039 176.870 -0.204 0.000 1.085 70 L CA -0.384 54.386 54.840 -0.116 0.000 0.813 70 L CB 1.197 43.162 42.059 -0.156 0.000 1.157 70 L HN 0.751 nan 8.230 nan 0.000 0.436 71 T N -0.610 113.713 114.554 -0.386 0.000 2.906 71 T HA 0.744 5.094 4.350 -0.000 0.000 0.295 71 T C -0.792 173.482 174.700 -0.710 0.000 1.075 71 T CA -0.638 61.275 62.100 -0.311 0.000 1.005 71 T CB 1.759 70.657 68.868 0.051 0.000 1.136 71 T HN 0.169 nan 8.240 nan 0.000 0.498 72 F N 0.093 119.852 119.950 -0.319 0.000 2.588 72 F HA 0.586 5.113 4.527 -0.000 0.000 0.310 72 F C -0.528 175.122 175.800 -0.250 0.000 1.082 72 F CA -0.961 56.821 58.000 -0.364 0.000 0.929 72 F CB 2.159 40.873 39.000 -0.476 0.000 1.254 72 F HN 0.493 nan 8.300 nan 0.000 0.455 73 D N 1.618 121.886 120.400 -0.219 0.000 2.217 73 D HA 0.316 4.955 4.640 -0.000 0.000 0.243 73 D C -0.894 175.322 176.300 -0.140 0.000 1.054 73 D CA -0.445 53.404 54.000 -0.252 0.000 0.838 73 D CB 1.231 41.819 40.800 -0.353 0.000 1.162 73 D HN 0.371 nan 8.370 nan 0.000 0.472 74 N N 1.139 119.723 118.700 -0.193 0.000 2.531 74 N HA 0.295 5.035 4.740 -0.000 0.000 0.268 74 N C 0.483 175.814 175.510 -0.298 0.000 1.023 74 N CA -0.340 52.431 53.050 -0.464 0.000 0.896 74 N CB 2.190 39.981 38.487 -1.160 0.000 1.233 74 N HN 0.485 nan 8.380 nan 0.000 0.512 75 G N 0.875 109.633 108.800 -0.071 0.000 2.709 75 G HA2 0.099 4.059 3.960 -0.000 0.000 0.208 75 G HA3 0.099 4.059 3.960 -0.000 0.000 0.208 75 G C -0.090 175.100 174.900 0.483 0.000 1.129 75 G CA 0.563 45.757 45.100 0.157 0.000 0.793 75 G HN 0.585 nan 8.290 nan 0.000 0.524 76 Y N -1.648 118.892 120.300 0.400 0.000 2.713 76 Y HA 0.758 5.307 4.550 -0.000 0.000 0.335 76 Y C -1.502 174.671 175.900 0.455 0.000 1.222 76 Y CA -2.086 56.295 58.100 0.470 0.000 1.061 76 Y CB 0.996 39.582 38.460 0.211 0.000 1.314 76 Y HN -0.079 nan 8.280 nan 0.000 0.453 77 E N 0.774 121.234 120.200 0.434 0.000 2.183 77 E HA 0.370 4.720 4.350 -0.000 0.000 0.271 77 E C -1.226 175.516 176.600 0.238 0.000 0.919 77 E CA -0.579 55.974 56.400 0.256 0.000 0.781 77 E CB 1.404 31.180 29.700 0.128 0.000 1.140 77 E HN 0.765 nan 8.360 nan 0.000 0.402 78 N N 2.849 121.625 118.700 0.126 0.000 2.299 78 N HA 0.172 4.912 4.740 -0.000 0.000 0.246 78 N C 0.162 175.534 175.510 -0.231 0.000 1.254 78 N CA 0.458 53.552 53.050 0.074 0.000 0.879 78 N CB 0.274 38.887 38.487 0.211 0.000 1.214 78 N HN 0.726 nan 8.380 nan 0.000 0.510 79 G N 0.778 109.444 108.800 -0.223 0.000 2.176 79 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.232 79 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.232 79 G C 0.019 174.648 174.900 -0.453 0.000 0.986 79 G CA 0.242 45.114 45.100 -0.379 0.000 0.643 79 G HN 0.427 nan 8.290 nan 0.000 0.522 80 Y N 0.227 120.560 120.300 0.055 0.000 2.445 80 Y HA 0.266 4.816 4.550 -0.000 0.000 0.247 80 Y C 2.617 178.532 175.900 0.025 0.000 1.129 80 Y CA 0.876 59.003 58.100 0.046 0.000 1.251 80 Y CB -0.099 38.401 38.460 0.065 0.000 1.176 80 Y HN 0.197 nan 8.280 nan 0.000 0.522 81 T N 1.189 115.815 114.554 0.121 0.000 2.788 81 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 81 T C -0.666 174.028 174.700 -0.010 0.000 1.044 81 T CA 1.367 63.493 62.100 0.043 0.000 1.139 81 T CB -1.028 67.866 68.868 0.042 0.000 0.867 81 T HN 0.188 nan 8.240 nan 0.000 0.454 82 P HA -0.036 nan 4.420 nan 0.000 0.216 82 P C 1.452 178.757 177.300 0.009 0.000 1.153 82 P CA 1.129 64.218 63.100 -0.018 0.000 0.848 82 P CB -0.004 31.687 31.700 -0.015 0.000 0.787 83 K N -0.644 119.789 120.400 0.056 0.000 2.097 83 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 83 K C 1.966 178.599 176.600 0.056 0.000 1.049 83 K CA 1.109 57.438 56.287 0.070 0.000 0.933 83 K CB -0.880 31.694 32.500 0.123 0.000 0.717 83 K HN 0.007 nan 8.250 nan 0.000 0.442 84 V N 2.011 121.954 119.914 0.049 0.000 2.332 84 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 84 V C 2.208 178.287 176.094 -0.024 0.000 1.055 84 V CA 1.621 63.929 62.300 0.014 0.000 1.038 84 V CB -0.385 31.413 31.823 -0.042 0.000 0.651 84 V HN 0.275 nan 8.190 nan 0.000 0.450 85 L N -0.344 120.842 121.223 -0.062 0.000 2.083 85 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 85 L C 2.321 179.202 176.870 0.019 0.000 1.083 85 L CA 1.411 56.214 54.840 -0.062 0.000 0.752 85 L CB -0.727 41.269 42.059 -0.105 0.000 0.899 85 L HN 0.336 nan 8.230 nan 0.000 0.433 86 D N -0.343 120.067 120.400 0.016 0.000 2.144 86 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 86 D C 2.353 178.670 176.300 0.028 0.000 0.984 86 D CA 1.046 55.059 54.000 0.022 0.000 0.834 86 D CB -0.167 40.642 40.800 0.016 0.000 0.955 86 D HN 0.101 nan 8.370 nan 0.000 0.465 87 V N 1.081 121.025 119.914 0.049 0.000 2.307 87 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 87 V C 2.641 178.813 176.094 0.130 0.000 1.045 87 V CA 1.089 63.441 62.300 0.087 0.000 1.024 87 V CB -0.443 31.455 31.823 0.125 0.000 0.651 87 V HN 0.193 nan 8.190 nan 0.000 0.449 88 L N -0.183 121.112 121.223 0.119 0.000 2.083 88 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 88 L C 2.597 179.564 176.870 0.162 0.000 1.083 88 L CA 1.862 56.797 54.840 0.158 0.000 0.752 88 L CB -0.627 41.538 42.059 0.177 0.000 0.899 88 L HN 0.326 nan 8.230 nan 0.000 0.433 89 K N 0.902 121.378 120.400 0.127 0.000 2.057 89 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 89 K C 2.250 178.857 176.600 0.011 0.000 1.049 89 K CA 1.538 57.872 56.287 0.077 0.000 0.931 89 K CB -0.012 32.521 32.500 0.055 0.000 0.714 89 K HN 0.124 nan 8.250 nan 0.000 0.440 90 K N -0.134 120.239 120.400 -0.044 0.000 2.063 90 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 90 K C 1.516 177.980 176.600 -0.226 0.000 1.048 90 K CA 1.611 57.798 56.287 -0.167 0.000 0.928 90 K CB -0.121 32.212 32.500 -0.279 0.000 0.713 90 K HN 0.359 nan 8.250 nan 0.000 0.442 91 H N -0.101 118.964 119.070 -0.009 0.000 2.539 91 H HA 0.083 4.639 4.556 -0.000 0.000 0.267 91 H C 0.191 175.511 175.328 -0.013 0.000 0.982 91 H CA 0.495 56.526 56.048 -0.028 0.000 1.146 91 H CB 0.211 29.917 29.762 -0.093 0.000 1.382 91 H HN 0.229 nan 8.280 nan 0.000 0.577 92 R N 0.743 121.295 120.500 0.086 0.000 3.333 92 R HA -0.148 4.192 4.340 -0.000 0.000 0.256 92 R C -1.351 174.998 176.300 0.082 0.000 1.010 92 R CA 0.086 56.226 56.100 0.066 0.000 0.680 92 R CB -1.665 28.661 30.300 0.044 0.000 1.102 92 R HN -0.015 nan 8.270 nan 0.000 0.440 93 V N 0.961 120.936 119.914 0.103 0.000 2.513 93 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 93 V C 0.504 176.709 176.094 0.184 0.000 1.035 93 V CA -0.393 61.962 62.300 0.092 0.000 0.889 93 V CB 2.205 33.998 31.823 -0.050 0.000 0.988 93 V HN 0.244 nan 8.190 nan 0.000 0.440 94 T N 3.903 118.565 114.554 0.179 0.000 2.733 94 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 94 T C 0.426 175.323 174.700 0.329 0.000 0.956 94 T CA -0.158 62.100 62.100 0.264 0.000 0.987 94 T CB 1.058 70.002 68.868 0.126 0.000 0.920 94 T HN 0.928 nan 8.240 nan 0.000 0.470 95 G N 1.878 110.995 108.800 0.529 0.000 2.462 95 G HA2 0.553 4.513 3.960 -0.000 0.000 0.319 95 G HA3 0.553 4.513 3.960 -0.000 0.000 0.319 95 G C -0.599 174.355 174.900 0.091 0.000 1.171 95 G CA -0.521 44.681 45.100 0.171 0.000 0.920 95 G HN 0.566 nan 8.290 nan 0.000 0.499 96 T N 1.014 115.504 114.554 -0.106 0.000 2.791 96 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 96 T C -1.122 173.398 174.700 -0.300 0.000 0.999 96 T CA -0.036 61.975 62.100 -0.149 0.000 0.952 96 T CB 0.530 69.266 68.868 -0.220 0.000 0.938 96 T HN 0.253 nan 8.240 nan 0.000 0.444 97 F N 2.860 122.705 119.950 -0.176 0.000 2.388 97 F HA 0.503 5.030 4.527 -0.000 0.000 0.358 97 F C -0.138 175.476 175.800 -0.310 0.000 1.122 97 F CA -1.312 56.593 58.000 -0.158 0.000 1.056 97 F CB 0.639 39.534 39.000 -0.175 0.000 1.155 97 F HN 0.491 nan 8.300 nan 0.000 0.461 98 F N 3.955 123.901 119.950 -0.006 0.000 2.404 98 F HA 0.422 4.949 4.527 -0.000 0.000 0.359 98 F C 0.300 176.050 175.800 -0.082 0.000 1.134 98 F CA -0.873 57.077 58.000 -0.084 0.000 1.160 98 F CB 0.601 39.415 39.000 -0.310 0.000 1.186 98 F HN 0.217 nan 8.300 nan 0.000 0.526 99 V N 0.594 120.594 119.914 0.143 0.000 2.630 99 V HA 0.800 4.920 4.120 -0.000 0.000 0.305 99 V C 0.083 176.306 176.094 0.215 0.000 1.046 99 V CA -0.665 61.705 62.300 0.116 0.000 0.934 99 V CB 1.321 33.227 31.823 0.139 0.000 1.003 99 V HN 0.685 nan 8.190 nan 0.000 0.451 100 T N 0.886 115.554 114.554 0.190 0.000 2.912 100 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 100 T C 1.323 175.963 174.700 -0.100 0.000 0.989 100 T CA 0.061 62.215 62.100 0.090 0.000 0.995 100 T CB 1.221 70.135 68.868 0.077 0.000 1.077 100 T HN 1.204 nan 8.240 nan 0.000 0.531 101 G N -0.531 107.962 108.800 -0.511 0.000 2.418 101 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.217 101 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.217 101 G C 1.440 175.930 174.900 -0.684 0.000 1.158 101 G CA 0.932 45.273 45.100 -1.265 0.000 0.771 101 G HN 1.006 nan 8.290 nan 0.000 0.545 102 H N -0.287 118.532 119.070 -0.417 0.000 2.353 102 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 102 H C 2.199 177.494 175.328 -0.055 0.000 1.090 102 H CA 1.534 57.494 56.048 -0.146 0.000 1.327 102 H CB -0.336 29.413 29.762 -0.022 0.000 1.383 102 H HN 0.325 nan 8.280 nan 0.000 0.508 103 F N 1.116 121.011 119.950 -0.092 0.000 2.134 103 F HA -0.176 4.350 4.527 -0.000 0.000 0.299 103 F C 2.511 178.212 175.800 -0.164 0.000 1.097 103 F CA 1.429 59.380 58.000 -0.082 0.000 1.264 103 F CB -0.540 38.472 39.000 0.020 0.000 1.001 103 F HN -0.023 nan 8.300 nan 0.000 0.479 104 V N 0.722 120.603 119.914 -0.055 0.000 2.295 104 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 104 V C 2.481 178.460 176.094 -0.192 0.000 1.049 104 V CA 1.977 64.219 62.300 -0.096 0.000 1.024 104 V CB -0.662 31.156 31.823 -0.009 0.000 0.648 104 V HN 0.232 nan 8.190 nan 0.000 0.447 105 K N -0.107 120.166 120.400 -0.211 0.000 2.097 105 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 105 K C 1.914 178.359 176.600 -0.259 0.000 1.050 105 K CA 1.825 58.009 56.287 -0.172 0.000 0.938 105 K CB -0.376 32.057 32.500 -0.112 0.000 0.718 105 K HN 0.517 nan 8.250 nan 0.000 0.442 106 D N 0.303 120.440 120.400 -0.439 0.000 2.234 106 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 106 D C 0.328 176.395 176.300 -0.389 0.000 0.962 106 D CA 0.803 54.544 54.000 -0.431 0.000 0.855 106 D CB 0.436 40.865 40.800 -0.618 0.000 0.951 106 D HN -0.033 nan 8.370 nan 0.000 0.500 107 Q N -0.050 119.439 119.800 -0.518 0.000 2.656 107 Q HA 0.172 4.512 4.340 -0.000 0.000 0.389 107 Q C -1.986 173.805 176.000 -0.349 0.000 0.883 107 Q CA -1.296 54.209 55.803 -0.497 0.000 1.056 107 Q CB 1.469 29.694 28.738 -0.855 0.000 1.391 107 Q HN 0.339 nan 8.270 nan 0.000 0.399 108 P HA -0.212 nan 4.420 nan 0.000 0.215 108 P C 1.039 178.266 177.300 -0.122 0.000 1.153 108 P CA 1.370 64.383 63.100 -0.144 0.000 0.853 108 P CB 0.488 32.125 31.700 -0.105 0.000 0.788 109 Q N -0.448 119.277 119.800 -0.124 0.000 2.124 109 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 109 Q C 2.533 178.470 176.000 -0.105 0.000 0.977 109 Q CA 1.115 56.858 55.803 -0.101 0.000 0.850 109 Q CB -0.557 28.126 28.738 -0.092 0.000 0.901 109 Q HN 0.313 nan 8.270 nan 0.000 0.429 110 L N 0.169 121.312 121.223 -0.134 0.000 2.056 110 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 110 L C 2.267 179.072 176.870 -0.108 0.000 1.078 110 L CA 0.490 55.256 54.840 -0.123 0.000 0.749 110 L CB -0.322 41.668 42.059 -0.114 0.000 0.901 110 L HN 0.285 nan 8.230 nan 0.000 0.433 111 I N 0.259 120.779 120.570 -0.084 0.000 2.264 111 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 111 I C 2.540 178.623 176.117 -0.057 0.000 1.111 111 I CA 1.428 62.703 61.300 -0.042 0.000 1.382 111 I CB -0.805 37.184 38.000 -0.019 0.000 1.060 111 I HN 0.222 nan 8.210 nan 0.000 0.418 112 K N 1.158 121.518 120.400 -0.066 0.000 2.097 112 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 112 K C 2.205 178.773 176.600 -0.054 0.000 1.050 112 K CA 1.220 57.472 56.287 -0.058 0.000 0.938 112 K CB -0.158 32.305 32.500 -0.061 0.000 0.718 112 K HN 0.139 nan 8.250 nan 0.000 0.442 113 R N -0.466 119.995 120.500 -0.066 0.000 2.075 113 R HA -0.038 4.301 4.340 -0.000 0.000 0.232 113 R C 2.382 178.665 176.300 -0.028 0.000 1.126 113 R CA 1.872 57.941 56.100 -0.052 0.000 0.963 113 R CB -0.286 29.971 30.300 -0.072 0.000 0.858 113 R HN 0.255 nan 8.270 nan 0.000 0.435 114 M N -0.394 119.157 119.600 -0.080 0.000 2.080 114 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 114 M C 2.531 178.872 176.300 0.067 0.000 1.068 114 M CA 1.715 56.998 55.300 -0.029 0.000 1.109 114 M CB -0.376 32.093 32.600 -0.219 0.000 1.342 114 M HN 0.101 nan 8.290 nan 0.000 0.405 115 S N 0.244 115.950 115.700 0.009 0.000 2.348 115 S HA -0.174 4.295 4.470 -0.000 0.000 0.221 115 S C 1.475 176.066 174.600 -0.015 0.000 1.033 115 S CA 1.701 59.903 58.200 0.004 0.000 1.010 115 S CB -0.357 62.833 63.200 -0.016 0.000 0.891 115 S HN 0.386 nan 8.310 nan 0.000 0.442 116 D N 1.052 121.438 120.400 -0.023 0.000 2.178 116 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 116 D C 1.305 177.581 176.300 -0.040 0.000 0.980 116 D CA 0.949 54.930 54.000 -0.032 0.000 0.842 116 D CB -0.291 40.490 40.800 -0.032 0.000 0.948 116 D HN 0.627 nan 8.370 nan 0.000 0.472 117 E N -0.591 119.590 120.200 -0.031 0.000 2.368 117 E HA 0.300 4.650 4.350 -0.000 0.000 0.188 117 E C 0.945 177.369 176.600 -0.294 0.000 1.061 117 E CA 0.049 56.401 56.400 -0.080 0.000 0.933 117 E CB 0.391 30.113 29.700 0.038 0.000 1.091 117 E HN 0.226 nan 8.360 nan 0.000 0.458 118 G N 1.335 110.004 108.800 -0.218 0.000 2.159 118 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 118 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 118 G C -0.031 174.701 174.900 -0.279 0.000 0.977 118 G CA 0.255 45.210 45.100 -0.242 0.000 0.652 118 G HN 0.446 nan 8.290 nan 0.000 0.531 119 H N -0.685 118.431 119.070 0.077 0.000 2.544 119 H HA 0.692 5.248 4.556 -0.000 0.000 0.365 119 H C 0.828 176.228 175.328 0.120 0.000 1.268 119 H CA -0.136 55.998 56.048 0.142 0.000 1.400 119 H CB 0.914 30.837 29.762 0.270 0.000 1.538 119 H HN 0.243 nan 8.280 nan 0.000 0.597 120 I N 1.538 122.275 120.570 0.279 0.000 2.412 120 I HA 0.221 4.391 4.170 -0.000 0.000 0.296 120 I C -0.393 175.807 176.117 0.139 0.000 0.987 120 I CA -0.272 61.126 61.300 0.163 0.000 1.180 120 I CB 1.233 39.298 38.000 0.108 0.000 1.340 120 I HN 0.267 nan 8.210 nan 0.000 0.455 121 I N 5.068 125.696 120.570 0.096 0.000 2.330 121 I HA 0.400 4.570 4.170 -0.000 0.000 0.289 121 I C 0.681 176.790 176.117 -0.012 0.000 1.001 121 I CA -0.172 61.159 61.300 0.051 0.000 1.193 121 I CB 1.366 39.411 38.000 0.076 0.000 1.345 121 I HN 0.642 nan 8.210 nan 0.000 0.461 122 G N 4.513 113.172 108.800 -0.235 0.000 2.488 122 G HA2 0.233 4.193 3.960 -0.000 0.000 0.318 122 G HA3 0.233 4.193 3.960 -0.000 0.000 0.318 122 G C -0.735 174.215 174.900 0.084 0.000 1.188 122 G CA -0.507 44.422 45.100 -0.284 0.000 0.944 122 G HN 0.521 nan 8.290 nan 0.000 0.495 123 N N -0.616 118.288 118.700 0.341 0.000 2.425 123 N HA 0.181 4.920 4.740 -0.000 0.000 0.268 123 N C -0.637 175.130 175.510 0.427 0.000 0.991 123 N CA -0.409 52.843 53.050 0.337 0.000 0.931 123 N CB 1.413 40.069 38.487 0.281 0.000 1.130 123 N HN 0.497 nan 8.380 nan 0.000 0.493 124 H N 1.905 121.115 119.070 0.233 0.000 2.592 124 H HA 0.194 4.750 4.556 -0.000 0.000 0.279 124 H C -0.300 175.128 175.328 0.167 0.000 1.089 124 H CA 0.352 56.522 56.048 0.204 0.000 1.150 124 H CB -0.235 29.662 29.762 0.226 0.000 1.575 124 H HN 0.742 nan 8.280 nan 0.000 0.547 125 S N -2.059 113.747 115.700 0.177 0.000 3.327 125 S HA -0.232 4.238 4.470 -0.000 0.000 0.844 125 S C 0.623 175.296 174.600 0.123 0.000 1.110 125 S CA 0.258 58.526 58.200 0.115 0.000 1.105 125 S CB -1.575 61.661 63.200 0.059 0.000 0.752 125 S HN 0.189 nan 8.310 nan 0.000 0.279 126 F N 2.015 121.970 119.950 0.008 0.000 2.084 126 F HA 0.119 4.646 4.527 -0.000 0.000 0.296 126 F C 2.258 177.966 175.800 -0.153 0.000 1.111 126 F CA 2.265 60.203 58.000 -0.104 0.000 1.224 126 F CB -0.226 38.626 39.000 -0.248 0.000 0.991 126 F HN 0.843 nan 8.300 nan 0.000 0.471 127 H N -2.894 116.373 119.070 0.328 0.000 2.586 127 H HA 0.135 4.691 4.556 -0.000 0.000 0.273 127 H C -0.085 175.362 175.328 0.198 0.000 0.997 127 H CA 0.645 56.841 56.048 0.247 0.000 1.177 127 H CB -0.038 29.869 29.762 0.241 0.000 1.471 127 H HN 0.275 nan 8.280 nan 0.000 0.538 128 H N -0.566 118.556 119.070 0.087 0.000 2.826 128 H HA -0.113 4.443 4.556 -0.000 0.000 0.306 128 H C -2.483 172.848 175.328 0.005 0.000 1.235 128 H CA -0.082 55.947 56.048 -0.033 0.000 1.150 128 H CB -0.834 28.890 29.762 -0.064 0.000 1.409 128 H HN 0.380 nan 8.280 nan 0.000 0.420 129 P HA 0.186 nan 4.420 nan 0.000 0.281 129 P C -0.279 176.964 177.300 -0.096 0.000 1.281 129 P CA -0.370 62.717 63.100 -0.021 0.000 0.811 129 P CB 0.981 32.710 31.700 0.048 0.000 1.154 130 D N 0.764 121.132 120.400 -0.052 0.000 2.338 130 D HA 0.045 4.685 4.640 -0.000 0.000 0.255 130 D C 1.230 177.531 176.300 0.002 0.000 1.237 130 D CA -0.028 53.951 54.000 -0.035 0.000 0.883 130 D CB 0.251 41.044 40.800 -0.012 0.000 1.087 130 D HN 0.207 nan 8.370 nan 0.000 0.485 131 L N 3.095 124.324 121.223 0.010 0.000 2.275 131 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 131 L C 2.427 179.356 176.870 0.099 0.000 1.119 131 L CA 1.312 56.176 54.840 0.041 0.000 0.790 131 L CB -0.435 41.635 42.059 0.019 0.000 0.919 131 L HN 0.528 nan 8.230 nan 0.000 0.443 132 T N -4.745 109.870 114.554 0.102 0.000 3.072 132 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 132 T C 1.606 176.363 174.700 0.095 0.000 1.127 132 T CA 1.141 63.327 62.100 0.143 0.000 1.107 132 T CB -0.502 68.419 68.868 0.088 0.000 0.910 132 T HN 0.420 nan 8.240 nan 0.000 0.513 133 T N -1.398 113.193 114.554 0.062 0.000 3.144 133 T HA 0.307 4.657 4.350 -0.000 0.000 0.249 133 T C 0.467 175.194 174.700 0.046 0.000 1.089 133 T CA -0.550 61.570 62.100 0.033 0.000 0.989 133 T CB -0.015 68.862 68.868 0.016 0.000 0.992 133 T HN 0.098 nan 8.240 nan 0.000 0.540 134 K N 2.728 123.183 120.400 0.092 0.000 2.203 134 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 134 K C 0.398 177.093 176.600 0.158 0.000 0.944 134 K CA -0.427 55.920 56.287 0.099 0.000 0.829 134 K CB 1.788 34.341 32.500 0.088 0.000 1.125 134 K HN 0.418 nan 8.250 nan 0.000 0.430 135 T N -2.096 112.528 114.554 0.117 0.000 2.849 135 T HA 0.311 4.661 4.350 -0.000 0.000 0.284 135 T C 1.474 176.274 174.700 0.167 0.000 1.004 135 T CA -0.043 62.143 62.100 0.143 0.000 1.021 135 T CB 1.169 70.082 68.868 0.076 0.000 1.013 135 T HN 0.475 nan 8.240 nan 0.000 0.527 136 A N 1.330 124.264 122.820 0.190 0.000 1.892 136 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 136 A C 2.025 179.652 177.584 0.072 0.000 1.188 136 A CA 2.042 54.151 52.037 0.121 0.000 0.631 136 A CB -1.194 17.877 19.000 0.118 0.000 0.822 136 A HN 0.919 nan 8.150 nan 0.000 0.447 137 D N -0.481 119.960 120.400 0.067 0.000 2.117 137 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 137 D C 2.230 178.558 176.300 0.047 0.000 0.987 137 D CA 1.565 55.594 54.000 0.049 0.000 0.829 137 D CB -0.493 40.331 40.800 0.041 0.000 0.961 137 D HN 0.666 nan 8.370 nan 0.000 0.460 138 Q N 0.031 119.864 119.800 0.054 0.000 2.084 138 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 138 Q C 2.503 178.536 176.000 0.055 0.000 0.978 138 Q CA 0.749 56.585 55.803 0.055 0.000 0.844 138 Q CB -0.041 28.732 28.738 0.058 0.000 0.898 138 Q HN 0.348 nan 8.270 nan 0.000 0.426 139 I N 0.767 121.366 120.570 0.049 0.000 2.163 139 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 139 I C 2.733 178.857 176.117 0.011 0.000 1.085 139 I CA 1.384 62.694 61.300 0.017 0.000 1.347 139 I CB -0.366 37.623 38.000 -0.018 0.000 1.044 139 I HN 0.339 nan 8.210 nan 0.000 0.408 140 Q N 0.876 120.693 119.800 0.027 0.000 2.096 140 Q HA -0.314 4.026 4.340 -0.000 0.000 0.204 140 Q C 1.783 177.813 176.000 0.049 0.000 0.982 140 Q CA 2.445 58.274 55.803 0.044 0.000 0.850 140 Q CB -0.083 28.684 28.738 0.049 0.000 0.901 140 Q HN 0.473 nan 8.270 nan 0.000 0.422 141 D N -0.316 120.110 120.400 0.042 0.000 2.149 141 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 141 D C 1.705 178.035 176.300 0.050 0.000 0.972 141 D CA 0.990 55.011 54.000 0.035 0.000 0.835 141 D CB 0.057 40.870 40.800 0.022 0.000 0.966 141 D HN 0.224 nan 8.370 nan 0.000 0.476 142 E N -0.044 120.200 120.200 0.075 0.000 2.118 142 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 142 E C 2.290 178.960 176.600 0.116 0.000 0.992 142 E CA 0.641 57.115 56.400 0.123 0.000 0.804 142 E CB -0.098 29.671 29.700 0.114 0.000 0.741 142 E HN 0.461 nan 8.360 nan 0.000 0.458 143 L N 0.061 121.313 121.223 0.049 0.000 2.102 143 L HA -0.092 4.248 4.340 -0.000 0.000 0.202 143 L C 2.335 179.294 176.870 0.149 0.000 1.076 143 L CA 1.100 55.956 54.840 0.028 0.000 0.761 143 L CB -0.420 41.524 42.059 -0.191 0.000 0.921 143 L HN 0.043 nan 8.230 nan 0.000 0.444 144 D N 0.035 120.518 120.400 0.139 0.000 2.144 144 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 144 D C 2.170 178.547 176.300 0.127 0.000 0.984 144 D CA 1.220 55.302 54.000 0.137 0.000 0.834 144 D CB 0.241 41.093 40.800 0.087 0.000 0.955 144 D HN 0.035 nan 8.370 nan 0.000 0.465 145 S N -0.961 114.806 115.700 0.112 0.000 2.383 145 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 145 S C 2.079 176.867 174.600 0.314 0.000 1.030 145 S CA 0.882 59.148 58.200 0.111 0.000 1.002 145 S CB -0.201 62.930 63.200 -0.116 0.000 0.829 145 S HN 0.189 nan 8.310 nan 0.000 0.467 146 V N 2.915 123.036 119.914 0.345 0.000 2.270 146 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 146 V C 2.114 178.340 176.094 0.221 0.000 1.043 146 V CA 1.514 63.989 62.300 0.292 0.000 1.014 146 V CB -0.722 31.233 31.823 0.219 0.000 0.645 146 V HN 0.453 nan 8.190 nan 0.000 0.447 147 N N 0.209 119.031 118.700 0.204 0.000 2.149 147 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 147 N C 1.868 177.481 175.510 0.172 0.000 1.019 147 N CA 1.724 54.881 53.050 0.177 0.000 0.857 147 N CB -0.293 38.288 38.487 0.156 0.000 0.997 147 N HN 0.670 nan 8.380 nan 0.000 0.426 148 E N 1.345 121.634 120.200 0.148 0.000 2.038 148 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 148 E C 1.791 178.495 176.600 0.174 0.000 1.000 148 E CA 1.453 57.931 56.400 0.129 0.000 0.803 148 E CB -0.190 29.562 29.700 0.086 0.000 0.750 148 E HN 0.192 nan 8.360 nan 0.000 0.448 149 E N -0.324 119.985 120.200 0.181 0.000 2.110 149 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 149 E C 2.007 178.688 176.600 0.135 0.000 0.988 149 E CA 1.295 57.793 56.400 0.164 0.000 0.804 149 E CB -0.299 29.523 29.700 0.204 0.000 0.745 149 E HN 0.228 nan 8.360 nan 0.000 0.458 150 V N 0.239 120.241 119.914 0.146 0.000 2.295 150 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 150 V C 2.076 178.239 176.094 0.116 0.000 1.049 150 V CA 2.089 64.458 62.300 0.114 0.000 1.024 150 V CB -0.718 31.180 31.823 0.125 0.000 0.648 150 V HN 0.400 nan 8.190 nan 0.000 0.447 151 Y N 1.156 121.482 120.300 0.043 0.000 2.181 151 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 151 Y C 2.663 178.576 175.900 0.022 0.000 1.146 151 Y CA 2.334 60.452 58.100 0.029 0.000 1.164 151 Y CB -0.181 38.297 38.460 0.029 0.000 0.982 151 Y HN 0.152 nan 8.280 nan 0.000 0.515 152 K N 0.231 120.741 120.400 0.183 0.000 2.113 152 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 152 K C 1.854 178.442 176.600 -0.021 0.000 1.047 152 K CA 2.109 58.449 56.287 0.089 0.000 0.928 152 K CB -0.371 32.186 32.500 0.095 0.000 0.716 152 K HN 0.475 nan 8.250 nan 0.000 0.446 153 I N 0.238 120.793 120.570 -0.024 0.000 2.277 153 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 153 I C 2.317 178.374 176.117 -0.100 0.000 1.094 153 I CA 1.576 62.844 61.300 -0.052 0.000 1.393 153 I CB -0.093 37.888 38.000 -0.032 0.000 1.078 153 I HN 0.354 nan 8.210 nan 0.000 0.417 154 T N -2.983 111.490 114.554 -0.134 0.000 3.014 154 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 154 T C 1.607 176.136 174.700 -0.285 0.000 1.060 154 T CA 0.491 62.495 62.100 -0.161 0.000 1.040 154 T CB 0.656 69.465 68.868 -0.098 0.000 0.971 154 T HN 0.460 nan 8.240 nan 0.000 0.497 155 G N 1.616 110.066 108.800 -0.583 0.000 2.155 155 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 155 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 155 G C -0.071 174.439 174.900 -0.650 0.000 0.983 155 G CA 0.642 45.190 45.100 -0.920 0.000 0.676 155 G HN 0.733 nan 8.290 nan 0.000 0.528 156 K N -0.914 119.279 120.400 -0.345 0.000 2.433 156 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 156 K C -0.469 176.224 176.600 0.155 0.000 1.015 156 K CA -0.864 55.413 56.287 -0.017 0.000 0.860 156 K CB 2.051 34.536 32.500 -0.025 0.000 1.359 156 K HN 0.141 nan 8.250 nan 0.000 0.452 157 Q N 1.574 121.466 119.800 0.152 0.000 2.296 157 Q HA 0.139 4.479 4.340 -0.000 0.000 0.254 157 Q C -1.513 174.526 176.000 0.065 0.000 0.936 157 Q CA -0.462 55.421 55.803 0.134 0.000 0.834 157 Q CB 1.556 30.386 28.738 0.153 0.000 1.340 157 Q HN 0.552 nan 8.270 nan 0.000 0.428 158 D N 1.747 122.181 120.400 0.057 0.000 2.363 158 D HA 0.098 4.738 4.640 -0.000 0.000 0.240 158 D C -0.030 176.251 176.300 -0.032 0.000 1.236 158 D CA 0.076 54.102 54.000 0.042 0.000 0.927 158 D CB 0.741 41.596 40.800 0.091 0.000 1.150 158 D HN 0.510 nan 8.370 nan 0.000 0.458 159 N N 0.277 118.937 118.700 -0.066 0.000 2.374 159 N HA -0.011 4.729 4.740 -0.000 0.000 0.241 159 N C -0.318 174.913 175.510 -0.466 0.000 1.262 159 N CA -0.132 52.761 53.050 -0.262 0.000 0.880 159 N CB 0.285 38.599 38.487 -0.289 0.000 1.105 159 N HN 0.177 nan 8.380 nan 0.000 0.438 160 L N 3.036 123.925 121.223 -0.556 0.000 2.369 160 L HA 0.175 4.515 4.340 -0.000 0.000 0.279 160 L C -0.598 175.972 176.870 -0.500 0.000 1.108 160 L CA 0.444 54.954 54.840 -0.551 0.000 0.852 160 L CB -0.707 40.817 42.059 -0.891 0.000 1.169 160 L HN 0.327 nan 8.230 nan 0.000 0.452 161 Y N 3.932 124.365 120.300 0.221 0.000 2.477 161 Y HA 0.684 5.234 4.550 -0.000 0.000 0.347 161 Y C -0.416 175.765 175.900 0.469 0.000 0.981 161 Y CA -1.140 57.142 58.100 0.304 0.000 1.033 161 Y CB 2.069 40.666 38.460 0.229 0.000 1.245 161 Y HN 0.368 nan 8.280 nan 0.000 0.455 162 L N 3.481 124.993 121.223 0.482 0.000 2.386 162 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 162 L C -1.142 175.673 176.870 -0.093 0.000 0.993 162 L CA -0.878 54.092 54.840 0.217 0.000 0.819 162 L CB 1.975 44.008 42.059 -0.044 0.000 1.294 162 L HN 0.721 nan 8.230 nan 0.000 0.414 163 R N 5.223 125.628 120.500 -0.159 0.000 2.435 163 R HA 0.599 4.939 4.340 -0.000 0.000 0.308 163 R C -2.628 173.669 176.300 -0.006 0.000 0.975 163 R CA -1.825 54.022 56.100 -0.421 0.000 0.867 163 R CB 1.564 31.268 30.300 -0.994 0.000 1.171 163 R HN 0.442 nan 8.270 nan 0.000 0.470 164 P HA 0.060 nan 4.420 nan 0.000 0.264 164 P C -2.504 174.837 177.300 0.069 0.000 1.193 164 P CA -0.939 62.184 63.100 0.039 0.000 0.763 164 P CB 0.274 32.043 31.700 0.115 0.000 0.810 165 P HA -0.002 nan 4.420 nan 0.000 0.262 165 P C 0.234 177.403 177.300 -0.219 0.000 1.182 165 P CA 0.525 63.278 63.100 -0.580 0.000 0.761 165 P CB 0.119 31.271 31.700 -0.914 0.000 0.795 166 R N 2.758 123.218 120.500 -0.066 0.000 3.946 166 R HA -0.238 4.102 4.340 -0.000 0.000 0.329 166 R C 1.182 177.622 176.300 0.234 0.000 1.209 166 R CA 0.736 56.881 56.100 0.075 0.000 0.909 166 R CB -2.458 27.844 30.300 0.002 0.000 1.355 166 R HN 0.919 nan 8.270 nan 0.000 0.539 167 G N -0.726 108.294 108.800 0.366 0.000 2.187 167 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.261 167 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.261 167 G C 0.167 175.388 174.900 0.536 0.000 1.000 167 G CA 0.313 45.774 45.100 0.603 0.000 0.718 167 G HN 0.267 nan 8.290 nan 0.000 0.519 168 V N 1.009 121.135 119.914 0.353 0.000 2.432 168 V HA 0.777 4.897 4.120 -0.000 0.000 0.275 168 V C 0.394 176.726 176.094 0.396 0.000 1.043 168 V CA 0.205 62.678 62.300 0.289 0.000 0.925 168 V CB 0.559 32.450 31.823 0.114 0.000 0.985 168 V HN 0.685 nan 8.190 nan 0.000 0.466 169 F N 2.108 122.127 119.950 0.115 0.000 3.049 169 F HA 0.972 5.499 4.527 -0.000 0.000 0.329 169 F C -0.289 175.556 175.800 0.076 0.000 1.208 169 F CA -0.801 57.263 58.000 0.106 0.000 0.956 169 F CB 1.493 40.608 39.000 0.192 0.000 1.469 169 F HN 0.514 nan 8.300 nan 0.000 0.516 170 S N -1.688 114.077 115.700 0.108 0.000 2.627 170 S HA 0.235 4.705 4.470 -0.000 0.000 0.268 170 S C 0.003 174.652 174.600 0.082 0.000 1.130 170 S CA -0.192 57.988 58.200 -0.033 0.000 0.819 170 S CB 1.323 64.551 63.200 0.045 0.000 1.100 170 S HN 1.040 nan 8.310 nan 0.000 0.465 171 E N 0.067 120.286 120.200 0.032 0.000 2.085 171 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 171 E C 1.678 178.202 176.600 -0.127 0.000 0.994 171 E CA 1.760 58.123 56.400 -0.061 0.000 0.801 171 E CB -0.348 29.386 29.700 0.057 0.000 0.743 171 E HN 0.683 nan 8.360 nan 0.000 0.453 172 Y N 0.480 120.733 120.300 -0.078 0.000 2.165 172 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 172 Y C 1.953 177.817 175.900 -0.060 0.000 1.155 172 Y CA 1.599 59.666 58.100 -0.055 0.000 1.164 172 Y CB -0.445 38.003 38.460 -0.020 0.000 0.978 172 Y HN -0.080 nan 8.280 nan 0.000 0.513 173 V N 0.675 120.432 119.914 -0.261 0.000 2.427 173 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 173 V C 2.494 178.434 176.094 -0.257 0.000 1.051 173 V CA 1.889 63.999 62.300 -0.318 0.000 1.048 173 V CB -0.635 31.178 31.823 -0.017 0.000 0.666 173 V HN 0.483 nan 8.190 nan 0.000 0.456 174 L N -0.318 120.770 121.223 -0.225 0.000 2.056 174 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 174 L C 2.590 179.246 176.870 -0.357 0.000 1.078 174 L CA 1.772 56.437 54.840 -0.292 0.000 0.749 174 L CB -0.575 41.233 42.059 -0.418 0.000 0.901 174 L HN 0.295 nan 8.230 nan 0.000 0.433 175 K N 0.243 120.340 120.400 -0.505 0.000 2.002 175 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 175 K C 2.100 178.655 176.600 -0.075 0.000 1.048 175 K CA 1.767 57.955 56.287 -0.165 0.000 0.930 175 K CB 0.056 32.529 32.500 -0.045 0.000 0.714 175 K HN 0.031 nan 8.250 nan 0.000 0.438 176 E N 0.291 120.362 120.200 -0.215 0.000 2.077 176 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 176 E C 1.784 178.332 176.600 -0.087 0.000 0.989 176 E CA 2.244 58.535 56.400 -0.183 0.000 0.800 176 E CB -0.374 29.085 29.700 -0.402 0.000 0.746 176 E HN 0.522 nan 8.360 nan 0.000 0.452 177 T N -1.597 112.896 114.554 -0.103 0.000 2.867 177 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 177 T C 1.950 176.714 174.700 0.107 0.000 1.057 177 T CA 1.370 63.466 62.100 -0.007 0.000 1.136 177 T CB -0.248 68.572 68.868 -0.080 0.000 0.874 177 T HN 0.156 nan 8.240 nan 0.000 0.466 178 K N 0.995 121.437 120.400 0.071 0.000 2.097 178 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 178 K C 2.677 179.333 176.600 0.094 0.000 1.050 178 K CA 0.720 57.073 56.287 0.111 0.000 0.938 178 K CB -0.157 32.443 32.500 0.165 0.000 0.718 178 K HN 0.266 nan 8.250 nan 0.000 0.442 179 R N 0.397 120.944 120.500 0.078 0.000 2.120 179 R HA -0.010 4.330 4.340 -0.000 0.000 0.234 179 R C 1.806 178.144 176.300 0.063 0.000 1.123 179 R CA 1.038 57.176 56.100 0.063 0.000 0.975 179 R CB -0.062 30.268 30.300 0.051 0.000 0.866 179 R HN 0.253 nan 8.270 nan 0.000 0.446 180 L N -0.545 120.737 121.223 0.099 0.000 2.599 180 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 180 L C 1.075 177.995 176.870 0.082 0.000 1.141 180 L CA 0.636 55.559 54.840 0.137 0.000 0.877 180 L CB 0.221 42.430 42.059 0.249 0.000 1.009 180 L HN 0.573 nan 8.230 nan 0.000 0.447 181 G N -1.259 107.562 108.800 0.036 0.000 2.157 181 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.239 181 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.239 181 G C -0.083 174.700 174.900 -0.196 0.000 0.982 181 G CA -0.443 44.600 45.100 -0.094 0.000 0.650 181 G HN 0.259 nan 8.290 nan 0.000 0.527 182 Y N 0.018 120.301 120.300 -0.029 0.000 2.310 182 Y HA 0.620 5.170 4.550 -0.000 0.000 0.326 182 Y C 0.689 176.574 175.900 -0.025 0.000 1.151 182 Y CA -0.532 57.545 58.100 -0.039 0.000 1.195 182 Y CB 1.380 39.826 38.460 -0.024 0.000 1.210 182 Y HN 0.157 nan 8.280 nan 0.000 0.483 183 Q N 1.406 121.285 119.800 0.132 0.000 2.314 183 Q HA 0.335 4.674 4.340 -0.000 0.000 0.259 183 Q C -0.966 175.066 176.000 0.053 0.000 0.951 183 Q CA -0.345 55.539 55.803 0.135 0.000 0.909 183 Q CB 1.045 29.949 28.738 0.278 0.000 1.236 183 Q HN 0.649 nan 8.270 nan 0.000 0.444 184 T N 3.634 118.084 114.554 -0.173 0.000 2.743 184 T HA 0.423 4.773 4.350 -0.000 0.000 0.293 184 T C -0.775 173.403 174.700 -0.871 0.000 0.945 184 T CA -0.419 61.392 62.100 -0.483 0.000 1.030 184 T CB 0.534 69.044 68.868 -0.596 0.000 0.912 184 T HN 0.384 nan 8.240 nan 0.000 0.483 185 V N 5.765 125.151 119.914 -0.879 0.000 2.334 185 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 185 V C -0.271 175.242 176.094 -0.968 0.000 1.016 185 V CA -0.685 61.013 62.300 -1.003 0.000 0.832 185 V CB 0.248 31.757 31.823 -0.524 0.000 0.999 185 V HN 0.710 nan 8.190 nan 0.000 0.439 186 F N 3.182 122.697 119.950 -0.724 0.000 2.415 186 F HA 0.761 5.288 4.527 -0.000 0.000 0.220 186 F C 0.396 176.064 175.800 -0.219 0.000 0.876 186 F CA -0.389 57.141 58.000 -0.784 0.000 1.067 186 F CB 0.316 38.111 39.000 -2.008 0.000 2.152 186 F HN 0.609 nan 8.300 nan 0.000 0.651 187 W N -2.225 119.007 121.300 -0.113 0.000 2.989 187 W HA 0.490 5.150 4.660 -0.000 0.000 0.344 187 W C -0.547 176.091 176.519 0.199 0.000 1.233 187 W CA -0.424 56.978 57.345 0.095 0.000 1.187 187 W CB 0.771 30.296 29.460 0.108 0.000 1.443 187 W HN 0.273 nan 8.180 nan 0.000 0.573 188 S N -0.602 115.316 115.700 0.363 0.000 2.687 188 S HA 0.482 4.952 4.470 -0.000 0.000 0.247 188 S C -0.746 174.081 174.600 0.379 0.000 1.050 188 S CA -0.044 58.199 58.200 0.072 0.000 1.063 188 S CB 0.379 63.794 63.200 0.359 0.000 1.039 188 S HN 0.514 nan 8.310 nan 0.000 0.580 189 V N 1.521 121.750 119.914 0.525 0.000 2.668 189 V HA 0.886 5.006 4.120 -0.000 0.000 0.304 189 V C -0.502 175.791 176.094 0.330 0.000 1.071 189 V CA -0.072 62.423 62.300 0.324 0.000 0.894 189 V CB 1.164 32.745 31.823 -0.403 0.000 1.008 189 V HN 0.656 nan 8.190 nan 0.000 0.425 190 A N 4.578 127.612 122.820 0.356 0.000 2.604 190 A HA 1.028 5.348 4.320 -0.000 0.000 0.295 190 A C -1.436 176.263 177.584 0.192 0.000 1.067 190 A CA -0.521 51.586 52.037 0.115 0.000 0.683 190 A CB 1.839 20.909 19.000 0.118 0.000 1.281 190 A HN 1.444 nan 8.150 nan 0.000 0.407 191 F N -1.265 118.687 119.950 0.003 0.000 2.789 191 F HA 0.708 5.235 4.527 -0.000 0.000 0.319 191 F C -0.714 175.149 175.800 0.104 0.000 1.168 191 F CA -1.344 56.584 58.000 -0.119 0.000 0.934 191 F CB 1.042 39.696 39.000 -0.576 0.000 1.375 191 F HN 0.252 nan 8.300 nan 0.000 0.480 192 V N 2.106 122.171 119.914 0.252 0.000 2.276 192 V HA 0.180 4.299 4.120 -0.000 0.000 0.249 192 V C -0.413 175.621 176.094 -0.099 0.000 1.160 192 V CA 0.017 62.241 62.300 -0.126 0.000 1.042 192 V CB -0.573 31.087 31.823 -0.272 0.000 1.224 192 V HN 0.785 nan 8.190 nan 0.000 0.496 193 D N 2.978 123.301 120.400 -0.128 0.000 2.571 193 D HA 0.005 4.645 4.640 -0.000 0.000 0.239 193 D C 0.699 177.015 176.300 0.026 0.000 1.267 193 D CA -0.339 53.682 54.000 0.034 0.000 0.823 193 D CB 0.110 40.954 40.800 0.073 0.000 1.056 193 D HN 0.680 nan 8.370 nan 0.000 0.494 194 W N 0.081 121.303 121.300 -0.130 0.000 2.714 194 W HA 0.413 5.073 4.660 -0.000 0.000 0.353 194 W C -0.329 176.145 176.519 -0.075 0.000 0.999 194 W CA -0.675 56.525 57.345 -0.241 0.000 1.629 194 W CB 0.075 29.124 29.460 -0.685 0.000 1.106 194 W HN -0.236 nan 8.180 nan 0.000 0.545 195 K N 2.274 122.437 120.400 -0.394 0.000 2.250 195 K HA 0.128 4.448 4.320 -0.000 0.000 0.280 195 K C 1.192 177.747 176.600 -0.075 0.000 1.098 195 K CA -0.453 55.666 56.287 -0.280 0.000 0.916 195 K CB 1.422 33.590 32.500 -0.554 0.000 1.209 195 K HN -0.155 nan 8.250 nan 0.000 0.461 196 I N 2.080 122.684 120.570 0.057 0.000 2.454 196 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 196 I C 1.626 177.759 176.117 0.027 0.000 1.156 196 I CA 1.553 62.900 61.300 0.079 0.000 1.433 196 I CB -0.999 37.079 38.000 0.129 0.000 1.082 196 I HN 0.666 nan 8.210 nan 0.000 0.432 197 N N 0.569 119.267 118.700 -0.004 0.000 2.461 197 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 197 N C 0.536 176.020 175.510 -0.044 0.000 1.134 197 N CA 0.174 53.215 53.050 -0.015 0.000 0.878 197 N CB 0.009 38.488 38.487 -0.012 0.000 0.972 197 N HN 0.146 nan 8.380 nan 0.000 0.456 198 N N 0.957 119.612 118.700 -0.076 0.000 2.732 198 N HA 0.049 4.789 4.740 -0.000 0.000 0.235 198 N C -1.817 173.615 175.510 -0.130 0.000 1.466 198 N CA -0.356 52.631 53.050 -0.106 0.000 0.751 198 N CB 0.786 39.189 38.487 -0.140 0.000 1.317 198 N HN 0.158 nan 8.380 nan 0.000 0.525 199 Q N 1.891 121.648 119.800 -0.072 0.000 2.389 199 Q HA 0.204 4.544 4.340 -0.000 0.000 0.244 199 Q C 0.690 176.653 176.000 -0.062 0.000 1.056 199 Q CA -0.055 55.718 55.803 -0.051 0.000 0.908 199 Q CB 1.223 29.968 28.738 0.011 0.000 1.273 199 Q HN 0.333 nan 8.270 nan 0.000 0.471 200 K N 1.449 121.780 120.400 -0.114 0.000 2.365 200 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 200 K C 0.772 177.377 176.600 0.009 0.000 1.045 200 K CA 0.519 56.739 56.287 -0.113 0.000 0.962 200 K CB 0.137 32.423 32.500 -0.358 0.000 0.759 200 K HN 0.841 nan 8.250 nan 0.000 0.469 201 G N 1.069 109.898 108.800 0.049 0.000 2.525 201 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.685 201 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.685 201 G C -0.000 174.969 174.900 0.116 0.000 1.290 201 G CA -0.159 44.980 45.100 0.065 0.000 0.915 201 G HN 0.046 nan 8.290 nan 0.000 0.548 202 K N 0.204 120.653 120.400 0.081 0.000 2.002 202 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 202 K C 2.528 179.213 176.600 0.140 0.000 1.048 202 K CA 1.924 58.267 56.287 0.095 0.000 0.930 202 K CB -0.269 32.255 32.500 0.039 0.000 0.714 202 K HN 0.478 nan 8.250 nan 0.000 0.438 203 K N -0.366 120.102 120.400 0.112 0.000 2.063 203 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 203 K C 2.179 178.866 176.600 0.146 0.000 1.048 203 K CA 1.720 58.085 56.287 0.131 0.000 0.928 203 K CB -0.335 32.214 32.500 0.082 0.000 0.713 203 K HN 0.224 nan 8.250 nan 0.000 0.442 204 Y N 0.758 121.083 120.300 0.041 0.000 2.128 204 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 204 Y C 2.054 177.949 175.900 -0.009 0.000 1.154 204 Y CA 1.972 60.079 58.100 0.013 0.000 1.149 204 Y CB -0.482 38.013 38.460 0.059 0.000 0.976 204 Y HN 0.187 nan 8.280 nan 0.000 0.505 205 A N -0.767 122.145 122.820 0.153 0.000 1.873 205 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 205 A C 2.154 179.644 177.584 -0.157 0.000 1.186 205 A CA 1.541 53.583 52.037 0.008 0.000 0.616 205 A CB -1.625 17.597 19.000 0.369 0.000 0.823 205 A HN 0.715 nan 8.150 nan 0.000 0.442 206 Y N 1.350 121.604 120.300 -0.075 0.000 2.128 206 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 206 Y C 1.887 177.700 175.900 -0.145 0.000 1.154 206 Y CA 2.227 60.289 58.100 -0.063 0.000 1.149 206 Y CB -0.285 38.163 38.460 -0.019 0.000 0.976 206 Y HN 0.349 nan 8.280 nan 0.000 0.505 207 D N -0.863 119.410 120.400 -0.212 0.000 2.123 207 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 207 D C 2.133 178.128 176.300 -0.508 0.000 0.992 207 D CA 1.706 55.490 54.000 -0.360 0.000 0.833 207 D CB -0.482 40.144 40.800 -0.292 0.000 0.954 207 D HN 0.529 nan 8.370 nan 0.000 0.455 208 H N -0.128 118.569 119.070 -0.620 0.000 2.357 208 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 208 H C 2.276 177.288 175.328 -0.526 0.000 1.082 208 H CA 0.819 56.448 56.048 -0.698 0.000 1.342 208 H CB -0.160 28.823 29.762 -1.297 0.000 1.389 208 H HN 0.213 nan 8.280 nan 0.000 0.511 209 M N -0.331 119.046 119.600 -0.371 0.000 2.279 209 M HA -0.139 4.340 4.480 -0.000 0.000 0.264 209 M C 1.963 178.225 176.300 -0.064 0.000 1.062 209 M CA 0.914 56.171 55.300 -0.072 0.000 1.099 209 M CB 0.085 32.764 32.600 0.132 0.000 1.394 209 M HN 0.132 nan 8.290 nan 0.000 0.426 210 I N 0.421 120.827 120.570 -0.273 0.000 2.235 210 I HA -0.174 3.996 4.170 -0.000 0.000 0.241 210 I C 2.143 178.266 176.117 0.010 0.000 1.085 210 I CA 1.551 62.730 61.300 -0.201 0.000 1.378 210 I CB -1.134 36.643 38.000 -0.372 0.000 1.076 210 I HN 0.249 nan 8.210 nan 0.000 0.415 211 K N 0.528 120.896 120.400 -0.053 0.000 2.057 211 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 211 K C 1.933 178.555 176.600 0.036 0.000 1.049 211 K CA 1.216 57.503 56.287 0.001 0.000 0.931 211 K CB -0.129 32.300 32.500 -0.118 0.000 0.714 211 K HN 0.424 nan 8.250 nan 0.000 0.440 212 Q N 0.228 120.057 119.800 0.049 0.000 2.451 212 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 212 Q C 0.137 176.295 176.000 0.263 0.000 0.947 212 Q CA -0.257 55.622 55.803 0.126 0.000 0.937 212 Q CB 0.359 29.144 28.738 0.078 0.000 1.025 212 Q HN 0.217 nan 8.270 nan 0.000 0.511 213 A N 2.595 125.561 122.820 0.245 0.000 2.561 213 A HA 0.070 4.390 4.320 -0.000 0.000 0.234 213 A C -0.086 177.721 177.584 0.372 0.000 1.055 213 A CA 0.357 52.494 52.037 0.168 0.000 0.756 213 A CB -0.080 18.865 19.000 -0.091 0.000 0.986 213 A HN 0.419 nan 8.150 nan 0.000 0.505 214 H N -0.953 118.262 119.070 0.243 0.000 3.037 214 H HA 0.454 5.010 4.556 -0.000 0.000 0.336 214 H C -3.405 172.106 175.328 0.305 0.000 1.323 214 H CA -2.204 54.022 56.048 0.295 0.000 1.159 214 H CB 0.484 30.379 29.762 0.222 0.000 1.882 214 H HN 0.302 nan 8.280 nan 0.000 0.535 215 P HA 0.088 nan 4.420 nan 0.000 0.264 215 P C 1.033 178.482 177.300 0.248 0.000 1.193 215 P CA 2.504 65.755 63.100 0.251 0.000 0.763 215 P CB 0.321 32.102 31.700 0.134 0.000 0.810 216 G N 2.308 111.219 108.800 0.185 0.000 2.184 216 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 216 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 216 G C 0.487 175.587 174.900 0.333 0.000 0.975 216 G CA 0.005 45.276 45.100 0.285 0.000 0.642 216 G HN 0.843 nan 8.290 nan 0.000 0.536 217 A N -0.151 122.757 122.820 0.147 0.000 2.511 217 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 217 A C 0.500 178.267 177.584 0.305 0.000 1.069 217 A CA 0.483 52.532 52.037 0.020 0.000 0.763 217 A CB 0.175 18.841 19.000 -0.557 0.000 1.001 217 A HN 0.842 nan 8.150 nan 0.000 0.498 218 I N 3.139 123.927 120.570 0.364 0.000 2.328 218 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 218 I C -0.946 175.427 176.117 0.427 0.000 1.012 218 I CA -0.405 61.123 61.300 0.380 0.000 1.195 218 I CB 0.706 38.879 38.000 0.288 0.000 1.350 218 I HN 0.560 nan 8.210 nan 0.000 0.464 219 Y N 6.288 126.633 120.300 0.075 0.000 2.309 219 Y HA 0.385 4.935 4.550 -0.000 0.000 0.327 219 Y C 0.019 175.838 175.900 -0.135 0.000 1.172 219 Y CA -0.667 57.437 58.100 0.006 0.000 1.280 219 Y CB 1.104 39.524 38.460 -0.067 0.000 1.234 219 Y HN 0.402 nan 8.280 nan 0.000 0.512 220 L N 5.599 126.763 121.223 -0.098 0.000 2.316 220 L HA 0.598 4.938 4.340 -0.000 0.000 0.280 220 L C -1.670 174.882 176.870 -0.529 0.000 1.006 220 L CA -0.297 54.292 54.840 -0.418 0.000 0.836 220 L CB 0.442 42.051 42.059 -0.749 0.000 1.221 220 L HN 0.548 nan 8.230 nan 0.000 0.418 221 L N 3.585 124.428 121.223 -0.633 0.000 2.341 221 L HA 0.583 4.923 4.340 -0.000 0.000 0.267 221 L C -0.953 175.615 176.870 -0.503 0.000 1.009 221 L CA -0.917 53.605 54.840 -0.529 0.000 0.819 221 L CB 2.213 44.016 42.059 -0.427 0.000 1.323 221 L HN 0.594 nan 8.230 nan 0.000 0.425 222 H N -1.297 117.753 119.070 -0.034 0.000 2.676 222 H HA 0.432 4.988 4.556 -0.000 0.000 0.352 222 H C 0.116 175.539 175.328 0.158 0.000 1.193 222 H CA -0.383 55.700 56.048 0.058 0.000 1.243 222 H CB 1.727 31.513 29.762 0.040 0.000 1.751 222 H HN 0.591 nan 8.280 nan 0.000 0.567 223 T N -1.732 112.961 114.554 0.232 0.000 3.252 223 T HA 0.134 4.484 4.350 -0.000 0.000 0.286 223 T C 0.829 175.676 174.700 0.246 0.000 1.013 223 T CA 0.222 62.450 62.100 0.213 0.000 0.914 223 T CB -0.686 68.266 68.868 0.141 0.000 1.131 223 T HN 0.386 nan 8.240 nan 0.000 0.529 224 V N -2.742 117.303 119.914 0.220 0.000 3.644 224 V HA 0.449 4.569 4.120 -0.000 0.000 0.267 224 V C 0.883 177.188 176.094 0.352 0.000 1.277 224 V CA -0.239 62.222 62.300 0.269 0.000 1.096 224 V CB 0.008 31.881 31.823 0.083 0.000 0.828 224 V HN 0.363 nan 8.190 nan 0.000 0.446 225 S N 1.235 117.056 115.700 0.203 0.000 2.554 225 S HA 0.450 4.920 4.470 -0.000 0.000 0.278 225 S C 0.273 174.796 174.600 -0.128 0.000 1.242 225 S CA -0.684 57.580 58.200 0.106 0.000 1.051 225 S CB 0.815 64.068 63.200 0.089 0.000 0.986 225 S HN 0.683 nan 8.310 nan 0.000 0.502 226 R N 2.652 123.086 120.500 -0.110 0.000 2.481 226 R HA -0.099 4.241 4.340 -0.000 0.000 0.291 226 R C -0.329 175.800 176.300 -0.285 0.000 0.934 226 R CA 1.076 57.012 56.100 -0.273 0.000 1.116 226 R CB -0.274 30.009 30.300 -0.027 0.000 0.895 226 R HN 0.782 nan 8.270 nan 0.000 0.410 227 D N 1.208 121.353 120.400 -0.426 0.000 3.077 227 D HA -0.275 4.365 4.640 -0.000 0.000 0.217 227 D C 0.869 177.107 176.300 -0.103 0.000 1.162 227 D CA 1.544 55.426 54.000 -0.196 0.000 0.943 227 D CB -1.075 39.690 40.800 -0.059 0.000 1.122 227 D HN 0.890 nan 8.370 nan 0.000 0.413 228 N N 0.212 118.825 118.700 -0.144 0.000 2.205 228 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 228 N C 1.786 177.348 175.510 0.086 0.000 1.015 228 N CA 1.590 54.666 53.050 0.043 0.000 0.862 228 N CB -0.267 38.273 38.487 0.089 0.000 0.986 228 N HN 0.338 nan 8.380 nan 0.000 0.429 229 A N 1.129 123.970 122.820 0.034 0.000 1.898 229 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 229 A C 2.069 179.707 177.584 0.089 0.000 1.181 229 A CA 1.352 53.441 52.037 0.088 0.000 0.620 229 A CB -0.421 18.633 19.000 0.090 0.000 0.819 229 A HN 0.324 nan 8.150 nan 0.000 0.442 230 E N 0.190 120.425 120.200 0.057 0.000 2.106 230 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 230 E C 2.195 178.847 176.600 0.087 0.000 0.984 230 E CA 1.197 57.633 56.400 0.060 0.000 0.806 230 E CB -0.459 29.259 29.700 0.029 0.000 0.750 230 E HN 0.568 nan 8.360 nan 0.000 0.458 231 A N 0.742 123.631 122.820 0.115 0.000 1.877 231 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 231 A C 2.161 179.883 177.584 0.230 0.000 1.186 231 A CA 1.342 53.496 52.037 0.195 0.000 0.620 231 A CB -0.691 18.445 19.000 0.225 0.000 0.822 231 A HN 0.284 nan 8.150 nan 0.000 0.443 232 L N 0.170 121.507 121.223 0.190 0.000 2.046 232 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 232 L C 1.991 178.916 176.870 0.091 0.000 1.077 232 L CA 2.694 57.628 54.840 0.156 0.000 0.747 232 L CB -0.591 41.573 42.059 0.176 0.000 0.896 232 L HN 0.463 nan 8.230 nan 0.000 0.432 233 D N -0.525 119.950 120.400 0.124 0.000 2.092 233 D HA -0.221 4.418 4.640 -0.000 0.000 0.193 233 D C 1.686 178.065 176.300 0.131 0.000 0.994 233 D CA 1.649 55.749 54.000 0.167 0.000 0.828 233 D CB -0.064 40.836 40.800 0.166 0.000 0.963 233 D HN 0.402 nan 8.370 nan 0.000 0.450 234 D N -0.190 120.289 120.400 0.132 0.000 2.117 234 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 234 D C 1.960 178.428 176.300 0.280 0.000 0.982 234 D CA 1.486 55.569 54.000 0.137 0.000 0.828 234 D CB -0.549 40.234 40.800 -0.028 0.000 0.967 234 D HN 0.299 nan 8.370 nan 0.000 0.464 235 A N 0.523 123.540 122.820 0.327 0.000 1.902 235 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 235 A C 2.345 179.966 177.584 0.061 0.000 1.181 235 A CA 0.900 53.057 52.037 0.201 0.000 0.623 235 A CB -0.675 18.389 19.000 0.107 0.000 0.818 235 A HN 0.195 nan 8.150 nan 0.000 0.443 236 I N -0.649 119.849 120.570 -0.121 0.000 2.252 236 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 236 I C 2.600 178.583 176.117 -0.223 0.000 1.102 236 I CA 1.649 62.726 61.300 -0.373 0.000 1.385 236 I CB -0.617 36.809 38.000 -0.958 0.000 1.064 236 I HN 0.251 nan 8.210 nan 0.000 0.414 237 T N 0.293 114.737 114.554 -0.183 0.000 2.652 237 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 237 T C 1.479 176.232 174.700 0.089 0.000 1.039 237 T CA 1.760 63.878 62.100 0.030 0.000 1.153 237 T CB -0.297 68.651 68.868 0.133 0.000 0.863 237 T HN 0.312 nan 8.240 nan 0.000 0.428 238 D N 0.777 121.251 120.400 0.124 0.000 2.183 238 D HA 0.073 4.713 4.640 -0.000 0.000 0.203 238 D C 2.129 178.505 176.300 0.127 0.000 0.969 238 D CA 0.483 54.569 54.000 0.143 0.000 0.842 238 D CB -0.285 40.645 40.800 0.217 0.000 0.957 238 D HN 0.312 nan 8.370 nan 0.000 0.484 239 L N 0.531 121.832 121.223 0.131 0.000 2.109 239 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 239 L C 2.350 179.344 176.870 0.207 0.000 1.086 239 L CA 0.954 55.875 54.840 0.136 0.000 0.760 239 L CB -0.123 41.966 42.059 0.051 0.000 0.910 239 L HN -0.074 nan 8.230 nan 0.000 0.437 240 K N 0.170 120.704 120.400 0.224 0.000 2.057 240 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 240 K C 2.113 178.783 176.600 0.116 0.000 1.049 240 K CA 1.238 57.639 56.287 0.191 0.000 0.931 240 K CB -0.015 32.595 32.500 0.182 0.000 0.714 240 K HN 0.233 nan 8.250 nan 0.000 0.440 241 K N 0.851 121.313 120.400 0.103 0.000 2.147 241 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 241 K C 1.893 178.524 176.600 0.052 0.000 1.049 241 K CA 1.257 57.587 56.287 0.071 0.000 0.936 241 K CB 0.009 32.552 32.500 0.071 0.000 0.722 241 K HN 0.246 nan 8.250 nan 0.000 0.446 242 Q N -0.625 119.218 119.800 0.072 0.000 2.515 242 Q HA -0.002 4.338 4.340 -0.000 0.000 0.212 242 Q C 0.736 176.712 176.000 -0.040 0.000 0.970 242 Q CA 0.634 56.459 55.803 0.037 0.000 0.941 242 Q CB 0.498 29.293 28.738 0.094 0.000 0.998 242 Q HN 0.554 nan 8.270 nan 0.000 0.518 243 G N -0.190 108.593 108.800 -0.028 0.000 2.144 243 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 243 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 243 G C -0.442 174.339 174.900 -0.200 0.000 0.988 243 G CA -0.534 44.497 45.100 -0.115 0.000 0.659 243 G HN 0.267 nan 8.290 nan 0.000 0.522 244 Y N 0.875 121.088 120.300 -0.146 0.000 2.301 244 Y HA 0.610 5.160 4.550 -0.000 0.000 0.325 244 Y C 1.066 176.805 175.900 -0.269 0.000 1.203 244 Y CA 0.354 58.288 58.100 -0.277 0.000 1.255 244 Y CB 1.655 39.843 38.460 -0.453 0.000 1.232 244 Y HN 0.043 nan 8.280 nan 0.000 0.501 245 T N 4.081 118.539 114.554 -0.159 0.000 2.829 245 T HA 0.456 4.805 4.350 -0.000 0.000 0.280 245 T C -1.218 173.309 174.700 -0.288 0.000 0.999 245 T CA -0.611 61.420 62.100 -0.115 0.000 0.983 245 T CB 0.249 69.068 68.868 -0.082 0.000 0.968 245 T HN 0.201 nan 8.240 nan 0.000 0.446 246 F N 3.007 122.891 119.950 -0.111 0.000 2.404 246 F HA 0.515 5.042 4.527 -0.000 0.000 0.354 246 F C 0.857 176.574 175.800 -0.139 0.000 1.122 246 F CA -0.733 57.163 58.000 -0.174 0.000 1.080 246 F CB 1.088 40.005 39.000 -0.139 0.000 1.131 246 F HN 0.205 nan 8.300 nan 0.000 0.471 247 K N 1.099 121.449 120.400 -0.084 0.000 2.306 247 K HA 0.650 4.970 4.320 -0.000 0.000 0.236 247 K C -0.351 176.361 176.600 0.187 0.000 1.013 247 K CA -1.045 55.257 56.287 0.024 0.000 0.857 247 K CB 2.048 34.542 32.500 -0.010 0.000 1.214 247 K HN 0.621 nan 8.250 nan 0.000 0.449 248 S N 0.088 115.923 115.700 0.224 0.000 2.707 248 S HA 0.255 4.725 4.470 -0.000 0.000 0.276 248 S C 1.277 176.014 174.600 0.229 0.000 1.179 248 S CA -0.714 57.616 58.200 0.217 0.000 0.992 248 S CB 0.474 63.756 63.200 0.138 0.000 1.030 248 S HN 0.472 nan 8.310 nan 0.000 0.554 249 I N 1.030 121.644 120.570 0.074 0.000 2.394 249 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 249 I C 1.752 177.854 176.117 -0.025 0.000 1.136 249 I CA 1.221 62.471 61.300 -0.084 0.000 1.425 249 I CB -1.456 36.339 38.000 -0.340 0.000 1.079 249 I HN 0.678 nan 8.210 nan 0.000 0.425 250 D N 1.018 121.462 120.400 0.073 0.000 2.144 250 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 250 D C 1.723 178.128 176.300 0.174 0.000 0.978 250 D CA 1.081 55.192 54.000 0.185 0.000 0.833 250 D CB -0.081 40.821 40.800 0.171 0.000 0.961 250 D HN 0.307 nan 8.370 nan 0.000 0.470 251 D N 0.466 120.964 120.400 0.162 0.000 2.144 251 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 251 D C 2.275 178.694 176.300 0.199 0.000 0.978 251 D CA 0.166 54.289 54.000 0.206 0.000 0.833 251 D CB -0.321 40.600 40.800 0.201 0.000 0.961 251 D HN 0.223 nan 8.370 nan 0.000 0.470 252 L N 0.164 121.453 121.223 0.109 0.000 2.012 252 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 252 L C 2.286 179.070 176.870 -0.143 0.000 1.073 252 L CA 1.153 55.928 54.840 -0.109 0.000 0.748 252 L CB -0.083 41.663 42.059 -0.523 0.000 0.891 252 L HN -0.048 nan 8.230 nan 0.000 0.431 253 M N -1.033 118.531 119.600 -0.059 0.000 2.086 253 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 253 M C 2.326 178.654 176.300 0.046 0.000 1.067 253 M CA 1.752 57.045 55.300 -0.010 0.000 1.116 253 M CB -1.372 31.327 32.600 0.165 0.000 1.348 253 M HN 0.331 nan 8.290 nan 0.000 0.407 254 F N 1.697 121.648 119.950 0.001 0.000 2.095 254 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 254 F C 2.182 177.976 175.800 -0.011 0.000 1.104 254 F CA 1.869 59.872 58.000 0.005 0.000 1.232 254 F CB -0.390 38.623 39.000 0.023 0.000 0.987 254 F HN 0.258 nan 8.300 nan 0.000 0.475 255 E N 0.163 120.320 120.200 -0.071 0.000 2.153 255 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 255 E C 1.905 178.382 176.600 -0.204 0.000 0.988 255 E CA 1.455 57.754 56.400 -0.169 0.000 0.811 255 E CB -0.231 29.483 29.700 0.023 0.000 0.746 255 E HN 0.572 nan 8.360 nan 0.000 0.466 256 K N 1.032 121.326 120.400 -0.175 0.000 2.426 256 K HA -0.025 4.295 4.320 -0.000 0.000 0.193 256 K C 1.835 178.334 176.600 -0.168 0.000 1.028 256 K CA 0.613 56.800 56.287 -0.166 0.000 1.047 256 K CB 0.195 32.585 32.500 -0.184 0.000 0.821 256 K HN 0.037 nan 8.250 nan 0.000 0.513 257 E N 1.350 121.426 120.200 -0.206 0.000 2.106 257 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 257 E C 0.590 177.083 176.600 -0.179 0.000 0.984 257 E CA 1.609 57.903 56.400 -0.176 0.000 0.806 257 E CB 0.077 29.670 29.700 -0.179 0.000 0.750 257 E HN 0.349 nan 8.360 nan 0.000 0.458 258 M N 0.000 119.457 119.600 -0.238 0.000 2.572 258 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 258 M CA 0.000 nan 55.300 nan 0.000 0.988 258 M CB 0.000 nan 32.600 nan 0.000 1.302 258 M HN 0.000 nan 8.290 nan 0.000 0.411