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 1r2j_1_A DATA FIRST_RESID 3 DATA SEQUENCE ERDALLTDLV GDRAAEWDTS GELPRDLLVR LGADGLLCAE VAAEHGGLGL DATA SEQUENCE GSRENGEFTA HVGSLCSSLR SVMTSQGMAA WTVQRLGDAG QRATFLKELT DATA SEQUENCE SGXLAAVGFS ERQAGSDLSA MRTRVRLDGD TAVVDGHKVW TTAAAYADHL DATA SEQUENCE VVFGLQEDGS GAVVVVPADT PGVRVERVPK PSGCRAAGHA DLHLDQVRVP DATA SEQUENCE AGAVLAGSGA SLPMLVAASL AYGRKSVAWG CVGILRACRT AAVAHARTRE DATA SEQUENCE QFGRPLGDHQ LVAGHIADLW TAEQIAARVC EYASDHXXXX XXXMVPATIL DATA SEQUENCE AKHVAAERAA AGAATAAQVL ASAGAXXGHV VERAYRDAKL MEIIEGSSEM DATA SEQUENCE CRVMLAQHAL ALP 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.534 176.600 -0.110 0.000 1.382 3 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 3 E CB 0.000 29.673 29.700 -0.044 0.000 0.812 4 R N 0.868 121.302 120.500 -0.110 0.000 3.352 4 R HA 0.004 4.345 4.340 0.001 0.000 0.036 4 R C -0.086 176.205 176.300 -0.015 0.000 0.806 4 R CA 0.541 56.533 56.100 -0.180 0.000 2.826 4 R CB -0.290 29.779 30.300 -0.385 0.000 1.183 4 R HN 0.448 nan 8.270 nan 0.000 0.505 5 D N 1.405 121.781 120.400 -0.040 0.000 2.162 5 D HA 0.071 4.711 4.640 0.001 0.000 0.203 5 D C 1.604 177.887 176.300 -0.029 0.000 0.967 5 D CA 1.484 55.418 54.000 -0.110 0.000 0.840 5 D CB -0.168 40.242 40.800 -0.651 0.000 0.972 5 D HN 0.399 nan 8.370 nan 0.000 0.482 6 A N 0.994 123.791 122.820 -0.038 0.000 1.908 6 A HA -0.150 4.170 4.320 0.001 0.000 0.218 6 A C 2.155 179.787 177.584 0.079 0.000 1.181 6 A CA 1.108 53.163 52.037 0.029 0.000 0.627 6 A CB -0.779 18.223 19.000 0.003 0.000 0.818 6 A HN 0.254 nan 8.150 nan 0.000 0.445 7 L N -0.678 120.588 121.223 0.070 0.000 2.042 7 L HA -0.124 4.217 4.340 0.001 0.000 0.210 7 L C 2.082 179.035 176.870 0.138 0.000 1.076 7 L CA 1.668 56.559 54.840 0.085 0.000 0.749 7 L CB -0.335 41.761 42.059 0.061 0.000 0.893 7 L HN 0.278 nan 8.230 nan 0.000 0.432 8 L N -0.372 120.978 121.223 0.212 0.000 2.156 8 L HA -0.110 4.230 4.340 0.001 0.000 0.208 8 L C 2.622 179.618 176.870 0.209 0.000 1.095 8 L CA 1.944 56.933 54.840 0.247 0.000 0.770 8 L CB -1.705 40.568 42.059 0.357 0.000 0.914 8 L HN 0.606 nan 8.230 nan 0.000 0.439 9 T N -3.324 111.379 114.554 0.248 0.000 2.821 9 T HA -0.145 4.205 4.350 0.001 0.000 0.267 9 T C 1.251 176.010 174.700 0.098 0.000 1.046 9 T CA 1.285 63.492 62.100 0.179 0.000 1.139 9 T CB -0.185 68.795 68.868 0.186 0.000 0.871 9 T HN 0.326 nan 8.240 nan 0.000 0.454 10 D N 0.497 120.955 120.400 0.096 0.000 2.346 10 D HA 0.153 4.794 4.640 0.001 0.000 0.206 10 D C 1.839 178.179 176.300 0.066 0.000 1.001 10 D CA -0.019 54.018 54.000 0.062 0.000 0.871 10 D CB -0.016 40.812 40.800 0.046 0.000 0.943 10 D HN 0.268 nan 8.370 nan 0.000 0.518 11 L N 1.081 122.366 121.223 0.102 0.000 1.961 11 L HA -0.146 4.194 4.340 0.001 0.000 0.210 11 L C 2.629 179.593 176.870 0.158 0.000 1.072 11 L CA 1.236 56.159 54.840 0.138 0.000 0.749 11 L CB -0.904 41.250 42.059 0.158 0.000 0.889 11 L HN -0.123 nan 8.230 nan 0.000 0.432 12 V N 0.091 120.092 119.914 0.144 0.000 2.252 12 V HA -0.192 3.928 4.120 0.001 0.000 0.249 12 V C 1.570 177.584 176.094 -0.133 0.000 1.056 12 V CA 1.257 63.579 62.300 0.036 0.000 1.022 12 V CB -1.722 30.115 31.823 0.024 0.000 0.641 12 V HN 0.695 nan 8.190 nan 0.000 0.445 13 G N 1.363 110.129 108.800 -0.056 0.000 2.098 13 G HA2 -0.300 3.661 3.960 0.001 0.000 0.252 13 G HA3 -0.300 3.661 3.960 0.001 0.000 0.252 13 G C 0.179 174.994 174.900 -0.143 0.000 0.785 13 G CA 1.300 46.357 45.100 -0.072 0.000 1.123 13 G HN 1.032 nan 8.290 nan 0.000 0.375 14 D N -1.342 118.950 120.400 -0.180 0.000 2.990 14 D HA -0.183 4.457 4.640 0.001 0.000 0.245 14 D C 1.014 177.122 176.300 -0.320 0.000 1.120 14 D CA 1.535 55.410 54.000 -0.209 0.000 0.838 14 D CB -0.770 39.949 40.800 -0.136 0.000 1.000 14 D HN 0.725 nan 8.370 nan 0.000 0.420 15 R N 0.312 120.496 120.500 -0.527 0.000 2.435 15 R HA 0.313 4.654 4.340 0.001 0.000 0.276 15 R C 1.905 177.564 176.300 -1.068 0.000 0.866 15 R CA 0.331 55.915 56.100 -0.861 0.000 1.085 15 R CB -0.149 29.426 30.300 -1.208 0.000 1.751 15 R HN 0.200 nan 8.270 nan 0.000 0.463 16 A N 1.439 123.867 122.820 -0.654 0.000 1.883 16 A HA -0.120 4.200 4.320 0.001 0.000 0.217 16 A C 2.250 179.764 177.584 -0.118 0.000 1.186 16 A CA 2.058 53.928 52.037 -0.278 0.000 0.624 16 A CB -0.499 18.427 19.000 -0.122 0.000 0.822 16 A HN 0.332 nan 8.150 nan 0.000 0.444 17 A N -0.599 122.134 122.820 -0.146 0.000 1.873 17 A HA -0.240 4.081 4.320 0.001 0.000 0.218 17 A C 2.113 179.685 177.584 -0.021 0.000 1.193 17 A CA 2.004 54.004 52.037 -0.062 0.000 0.629 17 A CB -0.550 18.404 19.000 -0.078 0.000 0.826 17 A HN 0.524 nan 8.150 nan 0.000 0.447 18 E N -0.941 119.212 120.200 -0.079 0.000 2.106 18 E HA -0.187 4.163 4.350 0.001 0.000 0.192 18 E C 1.870 178.567 176.600 0.161 0.000 0.984 18 E CA 1.191 57.594 56.400 0.005 0.000 0.806 18 E CB -0.274 29.399 29.700 -0.045 0.000 0.750 18 E HN 0.763 nan 8.360 nan 0.000 0.458 19 W N 1.282 122.592 121.300 0.017 0.000 2.363 19 W HA -0.131 4.529 4.660 0.000 0.000 0.296 19 W C 2.079 178.618 176.519 0.034 0.000 1.212 19 W CA 1.102 58.461 57.345 0.023 0.000 1.260 19 W CB -1.287 28.182 29.460 0.014 0.000 1.131 19 W HN 0.240 nan 8.180 nan 0.000 0.530 20 D N -0.500 120.058 120.400 0.263 0.000 2.117 20 D HA -0.157 4.483 4.640 0.001 0.000 0.198 20 D C 2.189 178.570 176.300 0.135 0.000 0.982 20 D CA 2.563 56.668 54.000 0.176 0.000 0.828 20 D CB -0.084 40.796 40.800 0.133 0.000 0.967 20 D HN 0.055 nan 8.370 nan 0.000 0.464 21 T N -2.291 112.331 114.554 0.114 0.000 2.985 21 T HA -0.104 4.246 4.350 0.001 0.000 0.266 21 T C 2.012 176.766 174.700 0.090 0.000 1.076 21 T CA 1.233 63.386 62.100 0.089 0.000 1.135 21 T CB -0.461 68.447 68.868 0.067 0.000 0.890 21 T HN 0.126 nan 8.240 nan 0.000 0.480 22 S N 0.836 116.604 115.700 0.114 0.000 2.501 22 S HA 0.383 4.853 4.470 0.001 0.000 0.220 22 S C 1.947 176.602 174.600 0.092 0.000 0.997 22 S CA 0.456 58.718 58.200 0.102 0.000 0.919 22 S CB -0.746 62.531 63.200 0.127 0.000 0.778 22 S HN 1.264 nan 8.310 nan 0.000 0.523 23 G N 0.387 109.253 108.800 0.110 0.000 2.160 23 G HA2 -0.225 3.736 3.960 0.001 0.000 0.244 23 G HA3 -0.225 3.736 3.960 0.001 0.000 0.244 23 G C -0.253 174.694 174.900 0.079 0.000 1.022 23 G CA 0.380 45.535 45.100 0.092 0.000 0.741 23 G HN 0.745 nan 8.290 nan 0.000 0.508 24 E N -1.174 119.080 120.200 0.089 0.000 2.375 24 E HA 0.603 4.953 4.350 0.001 0.000 0.280 24 E C -0.454 176.090 176.600 -0.094 0.000 0.972 24 E CA -0.933 55.504 56.400 0.061 0.000 0.782 24 E CB 1.421 31.155 29.700 0.057 0.000 1.229 24 E HN 0.181 nan 8.360 nan 0.000 0.439 25 L N 3.080 124.183 121.223 -0.199 0.000 2.344 25 L HA 0.544 4.885 4.340 0.001 0.000 0.272 25 L C -2.215 174.293 176.870 -0.602 0.000 1.035 25 L CA -2.154 52.279 54.840 -0.678 0.000 0.807 25 L CB 1.386 43.038 42.059 -0.678 0.000 1.237 25 L HN 0.399 nan 8.230 nan 0.000 0.442 26 P HA 0.115 nan 4.420 nan 0.000 0.271 26 P C -0.062 177.027 177.300 -0.352 0.000 1.233 26 P CA -0.391 62.475 63.100 -0.391 0.000 0.764 26 P CB 0.580 32.101 31.700 -0.298 0.000 0.825 27 R N 2.470 122.832 120.500 -0.229 0.000 2.091 27 R HA -0.195 4.145 4.340 0.001 0.000 0.238 27 R C 0.771 176.978 176.300 -0.156 0.000 1.136 27 R CA 1.539 57.524 56.100 -0.193 0.000 0.959 27 R CB -1.016 29.246 30.300 -0.064 0.000 0.856 27 R HN 0.251 nan 8.270 nan 0.000 0.437 28 D N 0.869 121.202 120.400 -0.110 0.000 2.182 28 D HA -0.133 4.507 4.640 0.001 0.000 0.201 28 D C 1.805 178.058 176.300 -0.078 0.000 0.986 28 D CA 0.887 54.844 54.000 -0.071 0.000 0.847 28 D CB -0.122 40.655 40.800 -0.039 0.000 0.942 28 D HN 0.172 nan 8.370 nan 0.000 0.467 29 L N 0.231 121.380 121.223 -0.123 0.000 2.072 29 L HA -0.041 4.299 4.340 0.001 0.000 0.205 29 L C 2.065 178.869 176.870 -0.110 0.000 1.079 29 L CA 1.239 56.017 54.840 -0.103 0.000 0.752 29 L CB -0.343 41.625 42.059 -0.153 0.000 0.906 29 L HN 0.002 nan 8.230 nan 0.000 0.436 30 L N -1.541 119.571 121.223 -0.185 0.000 2.017 30 L HA -0.180 4.160 4.340 0.001 0.000 0.208 30 L C 2.636 179.457 176.870 -0.082 0.000 1.073 30 L CA 1.347 56.088 54.840 -0.164 0.000 0.745 30 L CB -0.980 40.911 42.059 -0.280 0.000 0.894 30 L HN 0.266 nan 8.230 nan 0.000 0.432 31 V N -0.043 119.826 119.914 -0.075 0.000 2.407 31 V HA -0.254 3.866 4.120 0.001 0.000 0.248 31 V C 2.850 178.936 176.094 -0.014 0.000 1.055 31 V CA 1.654 63.934 62.300 -0.034 0.000 1.049 31 V CB -0.445 31.360 31.823 -0.031 0.000 0.662 31 V HN 0.438 nan 8.190 nan 0.000 0.455 32 R N -0.483 120.007 120.500 -0.017 0.000 2.073 32 R HA -0.109 4.231 4.340 0.001 0.000 0.234 32 R C 2.143 178.453 176.300 0.017 0.000 1.134 32 R CA 2.082 58.183 56.100 0.002 0.000 0.952 32 R CB -0.758 29.544 30.300 0.004 0.000 0.850 32 R HN 0.505 nan 8.270 nan 0.000 0.433 33 L N -0.246 120.990 121.223 0.021 0.000 2.093 33 L HA -0.010 4.331 4.340 0.001 0.000 0.208 33 L C 2.506 179.408 176.870 0.053 0.000 1.085 33 L CA 1.982 56.853 54.840 0.052 0.000 0.755 33 L CB -1.307 40.792 42.059 0.066 0.000 0.904 33 L HN 0.311 nan 8.230 nan 0.000 0.435 34 G N -0.982 107.838 108.800 0.034 0.000 2.421 34 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 34 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 34 G C 1.678 176.603 174.900 0.043 0.000 1.171 34 G CA 0.789 45.915 45.100 0.042 0.000 0.775 34 G HN 0.480 nan 8.290 nan 0.000 0.543 35 A N 0.658 123.497 122.820 0.031 0.000 2.015 35 A HA 0.017 4.337 4.320 0.001 0.000 0.219 35 A C 1.881 179.482 177.584 0.027 0.000 1.163 35 A CA 1.809 53.863 52.037 0.029 0.000 0.646 35 A CB -0.192 18.820 19.000 0.020 0.000 0.806 35 A HN 0.264 nan 8.150 nan 0.000 0.448 36 D N -1.240 119.177 120.400 0.028 0.000 2.349 36 D HA 0.210 4.850 4.640 0.001 0.000 0.224 36 D C 1.487 177.799 176.300 0.019 0.000 1.029 36 D CA 1.116 55.128 54.000 0.019 0.000 0.879 36 D CB 0.096 40.907 40.800 0.018 0.000 0.906 36 D HN 0.578 nan 8.370 nan 0.000 0.528 37 G N 0.543 109.366 108.800 0.038 0.000 2.176 37 G HA2 -0.288 3.673 3.960 0.001 0.000 0.253 37 G HA3 -0.288 3.673 3.960 0.001 0.000 0.253 37 G C 0.412 175.352 174.900 0.068 0.000 0.979 37 G CA 0.226 45.354 45.100 0.047 0.000 0.641 37 G HN 0.328 nan 8.290 nan 0.000 0.530 38 L N -0.431 120.843 121.223 0.085 0.000 2.475 38 L HA 0.594 4.934 4.340 0.001 0.000 0.253 38 L C 1.837 178.834 176.870 0.212 0.000 1.198 38 L CA -0.391 54.560 54.840 0.185 0.000 0.814 38 L CB 0.545 42.745 42.059 0.235 0.000 1.134 38 L HN 0.127 nan 8.230 nan 0.000 0.478 39 L N -0.595 120.803 121.223 0.292 0.000 5.198 39 L HA -0.294 4.046 4.340 0.001 0.000 0.414 39 L C 0.831 177.797 176.870 0.160 0.000 0.922 39 L CA 1.126 56.075 54.840 0.181 0.000 1.585 39 L CB -1.754 40.375 42.059 0.116 0.000 1.671 39 L HN 0.817 nan 8.230 nan 0.000 0.621 40 C N -1.569 117.826 119.300 0.158 0.000 3.722 40 C HA 0.603 5.064 4.460 0.001 0.000 0.279 40 C C 2.299 177.367 174.990 0.129 0.000 1.819 40 C CA -0.133 58.957 59.018 0.120 0.000 1.744 40 C CB -0.512 27.281 27.740 0.089 0.000 3.247 40 C HN 0.588 nan 8.230 nan 0.000 0.549 41 A N 0.993 123.908 122.820 0.158 0.000 2.023 41 A HA -0.297 4.024 4.320 0.001 0.000 0.223 41 A C 1.783 179.430 177.584 0.105 0.000 1.180 41 A CA 2.274 54.380 52.037 0.114 0.000 0.659 41 A CB -0.409 18.668 19.000 0.128 0.000 0.817 41 A HN 0.773 nan 8.150 nan 0.000 0.466 42 E N -0.632 119.656 120.200 0.147 0.000 2.482 42 E HA 0.101 4.452 4.350 0.001 0.000 0.196 42 E C -0.187 176.501 176.600 0.148 0.000 1.047 42 E CA -0.206 56.284 56.400 0.150 0.000 0.869 42 E CB -0.013 29.817 29.700 0.217 0.000 0.836 42 E HN 0.399 nan 8.360 nan 0.000 0.520 43 V N 2.315 122.307 119.914 0.130 0.000 2.585 43 V HA 0.027 4.148 4.120 0.001 0.000 0.296 43 V C 0.629 176.805 176.094 0.138 0.000 1.035 43 V CA -0.143 62.239 62.300 0.136 0.000 1.084 43 V CB 0.679 32.569 31.823 0.111 0.000 0.953 43 V HN 0.190 nan 8.190 nan 0.000 0.483 44 A N 4.676 127.602 122.820 0.177 0.000 2.507 44 A HA 0.437 4.757 4.320 0.001 0.000 0.235 44 A C 1.611 179.251 177.584 0.092 0.000 1.070 44 A CA 0.430 52.550 52.037 0.137 0.000 0.768 44 A CB 0.111 19.208 19.000 0.161 0.000 1.011 44 A HN 1.367 nan 8.150 nan 0.000 0.502 45 A N 0.766 123.606 122.820 0.034 0.000 1.972 45 A HA -0.110 4.211 4.320 0.001 0.000 0.219 45 A C 1.677 179.236 177.584 -0.042 0.000 1.169 45 A CA 1.740 53.780 52.037 0.005 0.000 0.635 45 A CB -0.592 18.404 19.000 -0.007 0.000 0.810 45 A HN 0.922 nan 8.150 nan 0.000 0.446 46 E N -0.775 119.353 120.200 -0.119 0.000 2.267 46 E HA -0.180 4.170 4.350 0.001 0.000 0.197 46 E C 0.657 177.034 176.600 -0.372 0.000 0.998 46 E CA 1.047 57.287 56.400 -0.268 0.000 0.830 46 E CB -0.164 29.304 29.700 -0.386 0.000 0.751 46 E HN 0.743 nan 8.360 nan 0.000 0.491 47 H N -1.327 117.750 119.070 0.012 0.000 2.528 47 H HA 0.229 4.785 4.556 0.001 0.000 0.282 47 H C 1.103 176.440 175.328 0.015 0.000 1.097 47 H CA 0.594 56.649 56.048 0.012 0.000 1.121 47 H CB 1.189 30.963 29.762 0.019 0.000 1.590 47 H HN 0.278 nan 8.280 nan 0.000 0.553 48 G N 0.874 109.715 108.800 0.070 0.000 2.143 48 G HA2 -0.241 3.719 3.960 0.001 0.000 0.249 48 G HA3 -0.241 3.719 3.960 0.001 0.000 0.249 48 G C 0.781 175.718 174.900 0.060 0.000 0.981 48 G CA 0.144 45.276 45.100 0.053 0.000 0.665 48 G HN 0.697 nan 8.290 nan 0.000 0.528 49 G N -1.257 107.591 108.800 0.080 0.000 2.580 49 G HA2 0.589 4.549 3.960 0.001 0.000 0.278 49 G HA3 0.589 4.549 3.960 0.001 0.000 0.278 49 G C 0.865 175.792 174.900 0.045 0.000 1.212 49 G CA -0.416 44.729 45.100 0.075 0.000 0.939 49 G HN 0.358 nan 8.290 nan 0.000 0.513 50 L N 0.629 121.874 121.223 0.037 0.000 2.418 50 L HA 0.228 4.569 4.340 0.001 0.000 0.218 50 L C 2.353 179.232 176.870 0.014 0.000 1.125 50 L CA 1.165 56.010 54.840 0.009 0.000 0.835 50 L CB -0.560 41.489 42.059 -0.017 0.000 0.953 50 L HN 0.983 nan 8.230 nan 0.000 0.454 51 G N 0.044 108.868 108.800 0.041 0.000 2.283 51 G HA2 -0.286 3.675 3.960 0.001 0.000 0.280 51 G HA3 -0.286 3.675 3.960 0.001 0.000 0.280 51 G C 0.127 175.045 174.900 0.031 0.000 1.029 51 G CA 0.062 45.189 45.100 0.045 0.000 0.840 51 G HN 0.167 nan 8.290 nan 0.000 0.505 52 L N 0.447 121.686 121.223 0.027 0.000 2.436 52 L HA 0.632 4.972 4.340 0.001 0.000 0.265 52 L C 1.527 178.409 176.870 0.020 0.000 1.168 52 L CA 0.838 55.682 54.840 0.007 0.000 0.815 52 L CB 0.627 42.679 42.059 -0.011 0.000 1.109 52 L HN 0.267 nan 8.230 nan 0.000 0.462 53 G N 0.627 109.426 108.800 -0.002 0.000 2.588 53 G HA2 0.299 4.259 3.960 0.001 0.000 0.281 53 G HA3 0.299 4.259 3.960 0.001 0.000 0.281 53 G C 0.748 175.635 174.900 -0.021 0.000 1.236 53 G CA -0.152 44.948 45.100 -0.000 0.000 0.969 53 G HN 0.650 nan 8.290 nan 0.000 0.504 54 S N -0.635 115.055 115.700 -0.017 0.000 2.383 54 S HA -0.095 4.375 4.470 0.001 0.000 0.227 54 S C 2.470 177.003 174.600 -0.113 0.000 1.026 54 S CA 0.972 59.151 58.200 -0.034 0.000 0.981 54 S CB -0.163 63.050 63.200 0.021 0.000 0.818 54 S HN 0.545 nan 8.310 nan 0.000 0.472 55 R N 1.155 121.610 120.500 -0.075 0.000 2.062 55 R HA -0.059 4.281 4.340 0.001 0.000 0.231 55 R C 2.337 178.452 176.300 -0.307 0.000 1.136 55 R CA 1.446 57.453 56.100 -0.154 0.000 0.948 55 R CB -0.382 29.908 30.300 -0.017 0.000 0.845 55 R HN 0.518 nan 8.270 nan 0.000 0.430 56 E N 0.835 120.933 120.200 -0.170 0.000 2.038 56 E HA -0.231 4.120 4.350 0.001 0.000 0.195 56 E C 1.825 178.336 176.600 -0.149 0.000 1.000 56 E CA 1.500 57.815 56.400 -0.142 0.000 0.803 56 E CB -0.281 29.368 29.700 -0.086 0.000 0.750 56 E HN 0.241 nan 8.360 nan 0.000 0.448 57 N N 0.515 119.140 118.700 -0.123 0.000 2.223 57 N HA -0.112 4.629 4.740 0.001 0.000 0.185 57 N C 1.812 177.182 175.510 -0.233 0.000 1.016 57 N CA 1.480 54.510 53.050 -0.033 0.000 0.863 57 N CB -0.341 38.159 38.487 0.021 0.000 0.983 57 N HN 0.178 nan 8.380 nan 0.000 0.429 58 G N 0.235 108.636 108.800 -0.665 0.000 2.433 58 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 58 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 58 G C 1.339 175.460 174.900 -1.299 0.000 1.186 58 G CA 0.681 44.802 45.100 -1.632 0.000 0.779 58 G HN 0.456 nan 8.290 nan 0.000 0.543 59 E N -0.345 119.250 120.200 -1.009 0.000 2.153 59 E HA -0.106 4.244 4.350 0.001 0.000 0.194 59 E C 2.088 178.642 176.600 -0.077 0.000 0.988 59 E CA 0.651 56.808 56.400 -0.406 0.000 0.811 59 E CB -0.196 29.368 29.700 -0.228 0.000 0.746 59 E HN 0.459 nan 8.360 nan 0.000 0.466 60 F N 1.888 121.711 119.950 -0.211 0.000 2.146 60 F HA -0.131 4.396 4.527 0.001 0.000 0.298 60 F C 2.174 177.978 175.800 0.006 0.000 1.096 60 F CA 1.458 59.417 58.000 -0.068 0.000 1.275 60 F CB -0.545 38.409 39.000 -0.077 0.000 1.008 60 F HN -0.173 nan 8.300 nan 0.000 0.480 61 T N 0.782 115.183 114.554 -0.254 0.000 2.821 61 T HA -0.086 4.265 4.350 0.001 0.000 0.267 61 T C 2.267 176.912 174.700 -0.092 0.000 1.046 61 T CA 1.312 63.260 62.100 -0.254 0.000 1.139 61 T CB -0.768 68.043 68.868 -0.095 0.000 0.871 61 T HN 0.344 nan 8.240 nan 0.000 0.454 62 A N 1.301 124.140 122.820 0.032 0.000 1.877 62 A HA -0.198 4.123 4.320 0.001 0.000 0.216 62 A C 2.157 179.788 177.584 0.079 0.000 1.186 62 A CA 1.702 53.825 52.037 0.143 0.000 0.620 62 A CB -0.961 18.214 19.000 0.291 0.000 0.822 62 A HN 0.657 nan 8.150 nan 0.000 0.443 63 H N -0.179 118.883 119.070 -0.013 0.000 2.353 63 H HA -0.092 4.464 4.556 0.001 0.000 0.300 63 H C 2.019 177.320 175.328 -0.045 0.000 1.090 63 H CA 2.034 58.083 56.048 0.002 0.000 1.327 63 H CB 0.035 29.828 29.762 0.053 0.000 1.383 63 H HN 0.238 nan 8.280 nan 0.000 0.508 64 V N 0.506 120.325 119.914 -0.157 0.000 2.407 64 V HA -0.184 3.936 4.120 0.001 0.000 0.248 64 V C 2.962 178.977 176.094 -0.132 0.000 1.055 64 V CA 1.580 63.763 62.300 -0.196 0.000 1.049 64 V CB -1.112 30.527 31.823 -0.307 0.000 0.662 64 V HN 0.603 nan 8.190 nan 0.000 0.455 65 G N 0.381 109.128 108.800 -0.090 0.000 2.442 65 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 65 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 65 G C 1.824 176.700 174.900 -0.040 0.000 1.141 65 G CA 1.363 46.443 45.100 -0.033 0.000 0.763 65 G HN 0.662 nan 8.290 nan 0.000 0.554 66 S N -0.065 115.588 115.700 -0.078 0.000 2.474 66 S HA 0.112 4.583 4.470 0.001 0.000 0.235 66 S C 2.166 176.702 174.600 -0.107 0.000 0.997 66 S CA 0.911 59.062 58.200 -0.081 0.000 0.949 66 S CB -0.158 62.984 63.200 -0.098 0.000 0.766 66 S HN 0.333 nan 8.310 nan 0.000 0.517 67 L N -0.265 120.875 121.223 -0.139 0.000 2.262 67 L HA 0.364 4.704 4.340 0.001 0.000 0.197 67 L C 1.024 177.875 176.870 -0.032 0.000 1.073 67 L CA 0.133 54.910 54.840 -0.106 0.000 0.800 67 L CB 0.186 42.171 42.059 -0.124 0.000 0.987 67 L HN 0.537 nan 8.230 nan 0.000 0.470 68 C N -1.187 118.116 119.300 0.005 0.000 2.817 68 C HA 0.347 4.808 4.460 0.001 0.000 0.385 68 C C 1.327 176.353 174.990 0.060 0.000 1.050 68 C CA -0.619 58.440 59.018 0.068 0.000 1.245 68 C CB 1.192 29.033 27.740 0.168 0.000 1.706 68 C HN 0.287 nan 8.230 nan 0.000 0.488 69 S N 2.238 117.977 115.700 0.066 0.000 2.489 69 S HA -0.068 4.403 4.470 0.001 0.000 0.228 69 S C 1.880 176.531 174.600 0.084 0.000 0.995 69 S CA 1.229 59.468 58.200 0.064 0.000 0.934 69 S CB 0.169 63.407 63.200 0.064 0.000 0.771 69 S HN 0.861 nan 8.310 nan 0.000 0.522 70 S N 1.854 117.616 115.700 0.102 0.000 2.357 70 S HA 0.018 4.488 4.470 0.001 0.000 0.221 70 S C 1.791 176.424 174.600 0.054 0.000 1.031 70 S CA 0.688 58.946 58.200 0.097 0.000 0.982 70 S CB -0.351 62.916 63.200 0.111 0.000 0.853 70 S HN 0.388 nan 8.310 nan 0.000 0.458 71 L N 2.353 123.606 121.223 0.050 0.000 2.046 71 L HA 0.006 4.346 4.340 0.001 0.000 0.208 71 L C 2.331 179.204 176.870 0.004 0.000 1.077 71 L CA 1.714 56.557 54.840 0.004 0.000 0.747 71 L CB -0.606 41.479 42.059 0.043 0.000 0.896 71 L HN 0.087 nan 8.230 nan 0.000 0.432 72 R N -0.534 119.975 120.500 0.014 0.000 2.105 72 R HA -0.111 4.230 4.340 0.001 0.000 0.239 72 R C 2.175 178.501 176.300 0.043 0.000 1.135 72 R CA 1.661 57.763 56.100 0.003 0.000 0.967 72 R CB -0.601 29.702 30.300 0.005 0.000 0.861 72 R HN 0.479 nan 8.270 nan 0.000 0.442 73 S N 0.086 115.825 115.700 0.066 0.000 2.399 73 S HA -0.082 4.389 4.470 0.001 0.000 0.231 73 S C 1.963 176.620 174.600 0.094 0.000 1.022 73 S CA 1.172 59.431 58.200 0.098 0.000 0.983 73 S CB -0.064 63.212 63.200 0.127 0.000 0.803 73 S HN 0.133 nan 8.310 nan 0.000 0.480 74 V N 1.981 121.932 119.914 0.062 0.000 2.427 74 V HA -0.157 3.964 4.120 0.001 0.000 0.248 74 V C 2.160 178.297 176.094 0.071 0.000 1.051 74 V CA 1.546 63.880 62.300 0.056 0.000 1.048 74 V CB -0.628 31.189 31.823 -0.009 0.000 0.666 74 V HN 0.496 nan 8.190 nan 0.000 0.456 75 M N 0.599 120.238 119.600 0.065 0.000 2.159 75 M HA -0.157 4.324 4.480 0.001 0.000 0.263 75 M C 2.448 178.845 176.300 0.162 0.000 1.063 75 M CA 2.280 57.636 55.300 0.093 0.000 1.110 75 M CB -0.852 31.776 32.600 0.047 0.000 1.374 75 M HN 0.642 nan 8.290 nan 0.000 0.411 76 T N -2.130 112.525 114.554 0.169 0.000 2.777 76 T HA -0.060 4.291 4.350 0.001 0.000 0.266 76 T C 1.891 176.741 174.700 0.250 0.000 1.040 76 T CA 1.742 63.994 62.100 0.253 0.000 1.141 76 T CB -0.468 68.516 68.868 0.194 0.000 0.868 76 T HN 0.245 nan 8.240 nan 0.000 0.444 77 S N 1.056 116.863 115.700 0.178 0.000 2.355 77 S HA -0.091 4.379 4.470 0.001 0.000 0.222 77 S C 2.308 176.981 174.600 0.123 0.000 1.031 77 S CA 0.877 59.172 58.200 0.158 0.000 0.993 77 S CB -0.435 62.843 63.200 0.130 0.000 0.859 77 S HN 0.417 nan 8.310 nan 0.000 0.453 78 Q N 0.812 120.675 119.800 0.104 0.000 2.030 78 Q HA -0.086 4.254 4.340 0.001 0.000 0.204 78 Q C 2.485 178.498 176.000 0.022 0.000 0.986 78 Q CA 1.877 57.724 55.803 0.073 0.000 0.843 78 Q CB -1.188 27.597 28.738 0.079 0.000 0.904 78 Q HN 0.596 nan 8.270 nan 0.000 0.420 79 G N 0.593 109.405 108.800 0.020 0.000 2.422 79 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 79 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 79 G C 1.519 176.008 174.900 -0.685 0.000 1.146 79 G CA 1.013 45.955 45.100 -0.264 0.000 0.769 79 G HN 0.334 nan 8.290 nan 0.000 0.547 80 M N 0.684 120.151 119.600 -0.221 0.000 2.132 80 M HA 0.165 4.645 4.480 0.001 0.000 0.263 80 M C 2.755 179.094 176.300 0.065 0.000 1.065 80 M CA 1.627 56.930 55.300 0.004 0.000 1.122 80 M CB -0.034 32.733 32.600 0.279 0.000 1.365 80 M HN 0.251 nan 8.290 nan 0.000 0.411 81 A N 0.265 123.113 122.820 0.047 0.000 1.877 81 A HA -0.045 4.275 4.320 0.001 0.000 0.216 81 A C 2.305 179.872 177.584 -0.029 0.000 1.186 81 A CA 1.865 53.919 52.037 0.029 0.000 0.620 81 A CB -1.267 17.749 19.000 0.027 0.000 0.822 81 A HN 0.635 nan 8.150 nan 0.000 0.443 82 A N -1.107 121.687 122.820 -0.044 0.000 1.877 82 A HA -0.205 4.115 4.320 0.001 0.000 0.216 82 A C 2.155 179.724 177.584 -0.024 0.000 1.186 82 A CA 1.453 53.465 52.037 -0.043 0.000 0.620 82 A CB -1.009 17.971 19.000 -0.032 0.000 0.822 82 A HN 0.884 nan 8.150 nan 0.000 0.443 83 W N 1.077 122.237 121.300 -0.232 0.000 2.355 83 W HA -0.176 4.484 4.660 0.001 0.000 0.309 83 W C 1.758 178.240 176.519 -0.062 0.000 1.206 83 W CA 2.170 59.421 57.345 -0.157 0.000 1.284 83 W CB -0.636 28.686 29.460 -0.231 0.000 1.145 83 W HN 0.364 nan 8.180 nan 0.000 0.502 84 T N 1.450 115.941 114.554 -0.105 0.000 2.720 84 T HA -0.210 4.140 4.350 0.001 0.000 0.268 84 T C 1.783 176.330 174.700 -0.257 0.000 1.037 84 T CA 2.092 64.088 62.100 -0.174 0.000 1.144 84 T CB -0.693 68.186 68.868 0.018 0.000 0.864 84 T HN 0.024 nan 8.240 nan 0.000 0.444 85 V N 2.099 121.886 119.914 -0.211 0.000 2.453 85 V HA -0.140 3.980 4.120 0.001 0.000 0.247 85 V C 2.505 178.477 176.094 -0.202 0.000 1.048 85 V CA 1.835 64.016 62.300 -0.198 0.000 1.049 85 V CB -0.693 31.034 31.823 -0.159 0.000 0.672 85 V HN 0.588 nan 8.190 nan 0.000 0.457 86 Q N 0.503 120.155 119.800 -0.246 0.000 2.451 86 Q HA -0.068 4.273 4.340 0.001 0.000 0.206 86 Q C 1.892 177.678 176.000 -0.358 0.000 0.947 86 Q CA 1.164 56.820 55.803 -0.244 0.000 0.937 86 Q CB -0.147 28.490 28.738 -0.168 0.000 1.025 86 Q HN 0.436 nan 8.270 nan 0.000 0.511 87 R N -0.323 119.856 120.500 -0.536 0.000 2.206 87 R HA 0.344 4.684 4.340 0.001 0.000 0.198 87 R C 1.122 177.231 176.300 -0.319 0.000 0.986 87 R CA 0.977 56.720 56.100 -0.596 0.000 1.029 87 R CB 0.183 29.872 30.300 -1.018 0.000 0.966 87 R HN 0.417 nan 8.270 nan 0.000 0.487 88 L N -1.408 119.659 121.223 -0.260 0.000 2.526 88 L HA 0.464 4.804 4.340 0.001 0.000 0.210 88 L C 1.324 178.118 176.870 -0.126 0.000 1.048 88 L CA 0.155 54.894 54.840 -0.168 0.000 0.852 88 L CB -0.552 41.408 42.059 -0.165 0.000 1.128 88 L HN 0.149 nan 8.230 nan 0.000 0.482 89 G N 0.880 109.605 108.800 -0.125 0.000 2.732 89 G HA2 0.151 4.111 3.960 0.001 0.000 0.244 89 G HA3 0.151 4.111 3.960 0.001 0.000 0.244 89 G C -0.610 174.258 174.900 -0.053 0.000 1.226 89 G CA -0.095 44.966 45.100 -0.066 0.000 0.860 89 G HN 0.354 nan 8.290 nan 0.000 0.583 90 D N -0.806 119.579 120.400 -0.025 0.000 2.496 90 D HA 0.494 5.134 4.640 0.001 0.000 0.283 90 D C 1.603 177.894 176.300 -0.015 0.000 1.214 90 D CA 0.131 54.118 54.000 -0.022 0.000 1.089 90 D CB 0.258 41.048 40.800 -0.016 0.000 1.141 90 D HN 0.408 nan 8.370 nan 0.000 0.580 91 A N -0.645 122.171 122.820 -0.006 0.000 1.877 91 A HA 0.078 4.399 4.320 0.001 0.000 0.216 91 A C 2.132 179.717 177.584 0.002 0.000 1.186 91 A CA 1.991 54.035 52.037 0.011 0.000 0.620 91 A CB -1.690 17.315 19.000 0.009 0.000 0.822 91 A HN 0.619 nan 8.150 nan 0.000 0.443 92 G N -1.230 107.556 108.800 -0.022 0.000 2.403 92 G HA2 -0.143 3.818 3.960 0.001 0.000 0.216 92 G HA3 -0.143 3.818 3.960 0.001 0.000 0.216 92 G C 1.621 176.459 174.900 -0.104 0.000 1.154 92 G CA 0.922 45.990 45.100 -0.054 0.000 0.784 92 G HN 0.608 nan 8.290 nan 0.000 0.538 93 Q N 0.054 119.815 119.800 -0.065 0.000 2.046 93 Q HA -0.086 4.254 4.340 0.001 0.000 0.200 93 Q C 2.750 178.744 176.000 -0.009 0.000 0.975 93 Q CA 1.485 57.269 55.803 -0.032 0.000 0.836 93 Q CB -0.162 28.646 28.738 0.117 0.000 0.896 93 Q HN 0.639 nan 8.270 nan 0.000 0.428 94 R N 0.225 120.705 120.500 -0.035 0.000 2.096 94 R HA -0.031 4.309 4.340 0.001 0.000 0.235 94 R C 2.116 178.273 176.300 -0.239 0.000 1.127 94 R CA 1.345 57.358 56.100 -0.146 0.000 0.968 94 R CB -0.553 29.638 30.300 -0.183 0.000 0.861 94 R HN 0.117 nan 8.270 nan 0.000 0.440 95 A N 0.831 123.614 122.820 -0.062 0.000 1.972 95 A HA -0.093 4.227 4.320 0.001 0.000 0.219 95 A C 2.061 179.622 177.584 -0.038 0.000 1.169 95 A CA 1.851 53.932 52.037 0.074 0.000 0.635 95 A CB -0.689 18.357 19.000 0.076 0.000 0.810 95 A HN 0.492 nan 8.150 nan 0.000 0.446 96 T N -0.849 113.583 114.554 -0.203 0.000 2.814 96 T HA 0.047 4.397 4.350 0.001 0.000 0.254 96 T C 1.527 176.041 174.700 -0.311 0.000 1.037 96 T CA 1.301 63.202 62.100 -0.331 0.000 1.143 96 T CB -0.385 68.117 68.868 -0.611 0.000 0.866 96 T HN 0.362 nan 8.240 nan 0.000 0.431 97 F N 1.501 121.374 119.950 -0.128 0.000 2.146 97 F HA 0.160 4.688 4.527 0.001 0.000 0.298 97 F C 2.168 177.894 175.800 -0.124 0.000 1.096 97 F CA 0.375 58.271 58.000 -0.173 0.000 1.275 97 F CB -1.064 37.799 39.000 -0.228 0.000 1.008 97 F HN 0.038 nan 8.300 nan 0.000 0.480 98 L N 0.316 121.549 121.223 0.017 0.000 2.083 98 L HA -0.246 4.095 4.340 0.001 0.000 0.209 98 L C 2.464 179.360 176.870 0.044 0.000 1.083 98 L CA 1.731 56.549 54.840 -0.036 0.000 0.752 98 L CB -0.718 41.175 42.059 -0.277 0.000 0.899 98 L HN 0.185 nan 8.230 nan 0.000 0.433 99 K N 0.174 120.609 120.400 0.058 0.000 2.148 99 K HA -0.157 4.164 4.320 0.001 0.000 0.204 99 K C 1.653 178.297 176.600 0.074 0.000 1.050 99 K CA 1.361 57.696 56.287 0.081 0.000 0.942 99 K CB -0.293 32.248 32.500 0.068 0.000 0.724 99 K HN 0.276 nan 8.250 nan 0.000 0.446 100 E N 0.792 121.043 120.200 0.085 0.000 2.152 100 E HA -0.037 4.313 4.350 0.001 0.000 0.192 100 E C 1.647 178.326 176.600 0.132 0.000 0.983 100 E CA 0.879 57.354 56.400 0.124 0.000 0.818 100 E CB -0.105 29.721 29.700 0.210 0.000 0.758 100 E HN 0.332 nan 8.360 nan 0.000 0.467 101 L N 0.848 122.145 121.223 0.124 0.000 2.610 101 L HA 0.004 4.344 4.340 0.001 0.000 0.232 101 L C 1.485 178.404 176.870 0.082 0.000 1.149 101 L CA 0.795 55.700 54.840 0.108 0.000 0.872 101 L CB -0.187 41.926 42.059 0.090 0.000 0.992 101 L HN 0.164 nan 8.230 nan 0.000 0.447 102 T N -6.711 107.889 114.554 0.077 0.000 3.460 102 T HA 0.215 4.565 4.350 0.001 0.000 0.304 102 T C 0.654 175.387 174.700 0.055 0.000 0.991 102 T CA -0.261 61.879 62.100 0.066 0.000 0.975 102 T CB 0.433 69.343 68.868 0.071 0.000 1.196 102 T HN -0.023 nan 8.240 nan 0.000 0.490 103 S N 0.411 116.144 115.700 0.055 0.000 2.893 103 S HA 0.656 5.126 4.470 0.001 0.000 0.258 103 S C 0.965 175.588 174.600 0.039 0.000 1.034 103 S CA -0.072 58.154 58.200 0.043 0.000 1.167 103 S CB 0.754 63.980 63.200 0.045 0.000 1.137 103 S HN 1.318 nan 8.310 nan 0.000 0.650 107 A N 1.180 124.056 122.820 0.093 0.000 2.527 107 A HA 1.091 5.411 4.320 0.001 0.000 0.293 107 A C -1.283 176.351 177.584 0.083 0.000 1.117 107 A CA 0.019 52.118 52.037 0.103 0.000 0.723 107 A CB 2.088 21.158 19.000 0.118 0.000 1.313 107 A HN 1.307 nan 8.150 nan 0.000 0.411 108 A N -0.359 122.505 122.820 0.072 0.000 2.527 108 A HA 0.781 5.102 4.320 0.001 0.000 0.293 108 A C -1.438 176.197 177.584 0.085 0.000 1.117 108 A CA -0.519 51.561 52.037 0.072 0.000 0.723 108 A CB 1.500 20.524 19.000 0.040 0.000 1.313 108 A HN 1.527 nan 8.150 nan 0.000 0.411 109 V N 0.655 120.638 119.914 0.115 0.000 2.443 109 V HA 0.677 4.798 4.120 0.001 0.000 0.293 109 V C 0.395 176.551 176.094 0.104 0.000 1.021 109 V CA -0.053 62.364 62.300 0.195 0.000 0.848 109 V CB 1.490 33.514 31.823 0.335 0.000 0.998 109 V HN 1.307 nan 8.190 nan 0.000 0.424 110 G N 2.935 111.804 108.800 0.115 0.000 2.502 110 G HA2 0.625 4.586 3.960 0.001 0.000 0.311 110 G HA3 0.625 4.586 3.960 0.001 0.000 0.311 110 G C -0.381 174.586 174.900 0.112 0.000 1.270 110 G CA -0.359 44.711 45.100 -0.050 0.000 0.948 110 G HN 0.730 nan 8.290 nan 0.000 0.487 111 F N 1.134 121.152 119.950 0.113 0.000 2.784 111 F HA 0.440 4.968 4.527 0.001 0.000 0.316 111 F C 1.093 176.913 175.800 0.034 0.000 1.026 111 F CA -0.411 57.625 58.000 0.060 0.000 1.188 111 F CB 0.041 38.904 39.000 -0.228 0.000 0.999 111 F HN 0.414 nan 8.300 nan 0.000 0.605 112 S N 1.202 116.788 115.700 -0.189 0.000 2.572 112 S HA 0.333 4.803 4.470 0.001 0.000 0.279 112 S C -0.327 174.298 174.600 0.042 0.000 1.341 112 S CA -0.148 58.042 58.200 -0.016 0.000 1.043 112 S CB 0.387 63.514 63.200 -0.123 0.000 0.887 112 S HN 0.441 nan 8.310 nan 0.000 0.516 113 E N 1.483 121.727 120.200 0.074 0.000 2.433 113 E HA 0.344 4.694 4.350 0.001 0.000 0.273 113 E C 0.301 176.929 176.600 0.047 0.000 0.950 113 E CA -1.056 55.392 56.400 0.080 0.000 0.796 113 E CB 0.851 30.598 29.700 0.079 0.000 1.330 113 E HN 0.491 nan 8.360 nan 0.000 0.455 114 R N 1.209 121.710 120.500 0.000 0.000 2.119 114 R HA -0.191 4.150 4.340 0.001 0.000 0.246 114 R C 2.012 178.310 176.300 -0.003 0.000 1.146 114 R CA 2.142 58.231 56.100 -0.019 0.000 0.962 114 R CB -0.013 30.227 30.300 -0.100 0.000 0.863 114 R HN 0.459 nan 8.270 nan 0.000 0.442 115 Q N -1.200 118.598 119.800 -0.003 0.000 2.282 115 Q HA 0.222 4.563 4.340 0.001 0.000 0.206 115 Q C -0.749 175.260 176.000 0.015 0.000 0.878 115 Q CA 0.663 56.468 55.803 0.004 0.000 0.944 115 Q CB 0.752 29.490 28.738 0.001 0.000 1.100 115 Q HN 0.173 nan 8.270 nan 0.000 0.509 116 A N 0.393 123.230 122.820 0.028 0.000 2.483 116 A HA 0.722 5.042 4.320 0.001 0.000 0.308 116 A C 0.309 177.922 177.584 0.048 0.000 1.291 116 A CA -0.121 51.940 52.037 0.039 0.000 0.774 116 A CB 0.828 19.860 19.000 0.055 0.000 1.134 116 A HN 0.297 nan 8.150 nan 0.000 0.471 117 G N 0.249 109.067 108.800 0.030 0.000 2.534 117 G HA2 0.217 4.178 3.960 0.001 0.000 0.224 117 G HA3 0.217 4.178 3.960 0.001 0.000 0.224 117 G C 1.348 176.267 174.900 0.032 0.000 1.822 117 G CA 0.979 46.094 45.100 0.025 0.000 0.805 117 G HN 0.530 nan 8.290 nan 0.000 0.649 118 S N 0.504 116.207 115.700 0.005 0.000 2.423 118 S HA -0.015 4.455 4.470 0.001 0.000 0.231 118 S C 0.767 175.365 174.600 -0.002 0.000 1.014 118 S CA 0.827 59.026 58.200 -0.002 0.000 0.965 118 S CB -0.053 63.137 63.200 -0.017 0.000 0.785 118 S HN 0.421 nan 8.310 nan 0.000 0.495 119 D N 1.739 122.141 120.400 0.004 0.000 2.524 119 D HA 0.200 4.841 4.640 0.001 0.000 0.222 119 D C 1.307 177.615 176.300 0.014 0.000 1.142 119 D CA -0.358 53.643 54.000 0.002 0.000 0.973 119 D CB -0.067 40.734 40.800 0.002 0.000 1.025 119 D HN 0.267 nan 8.370 nan 0.000 0.519 120 L N 1.042 122.270 121.223 0.007 0.000 2.127 120 L HA -0.106 4.234 4.340 0.001 0.000 0.211 120 L C 1.795 178.676 176.870 0.017 0.000 1.089 120 L CA 1.412 56.260 54.840 0.014 0.000 0.757 120 L CB -1.069 40.956 42.059 -0.056 0.000 0.899 120 L HN 0.216 nan 8.230 nan 0.000 0.434 121 S N 0.148 115.852 115.700 0.006 0.000 2.595 121 S HA 0.157 4.627 4.470 0.001 0.000 0.235 121 S C 1.781 176.396 174.600 0.025 0.000 0.974 121 S CA 0.410 58.619 58.200 0.015 0.000 0.942 121 S CB -0.298 62.905 63.200 0.006 0.000 0.766 121 S HN 0.546 nan 8.310 nan 0.000 0.536 122 A N 1.527 124.364 122.820 0.027 0.000 2.275 122 A HA 0.444 4.765 4.320 0.001 0.000 0.212 122 A C 1.045 178.653 177.584 0.041 0.000 1.201 122 A CA -0.290 51.764 52.037 0.029 0.000 0.843 122 A CB -0.679 18.335 19.000 0.022 0.000 0.873 122 A HN 0.808 nan 8.150 nan 0.000 0.492 123 M N -1.675 117.959 119.600 0.057 0.000 2.249 123 M HA 0.364 4.845 4.480 0.001 0.000 0.340 123 M C 0.254 176.594 176.300 0.066 0.000 1.166 123 M CA 0.489 55.833 55.300 0.074 0.000 1.115 123 M CB 0.322 32.987 32.600 0.107 0.000 1.606 123 M HN -0.001 nan 8.290 nan 0.000 0.448 124 R N 0.127 120.666 120.500 0.065 0.000 2.437 124 R HA 0.167 4.507 4.340 0.001 0.000 0.257 124 R C 0.340 176.678 176.300 0.064 0.000 0.927 124 R CA 0.020 56.154 56.100 0.056 0.000 1.078 124 R CB 0.640 30.966 30.300 0.044 0.000 1.161 124 R HN 0.884 nan 8.270 nan 0.000 0.529 125 T N 1.739 116.341 114.554 0.080 0.000 2.934 125 T HA 0.061 4.412 4.350 0.001 0.000 0.306 125 T C -0.049 174.691 174.700 0.067 0.000 1.042 125 T CA -0.114 62.034 62.100 0.080 0.000 1.145 125 T CB 0.390 69.316 68.868 0.096 0.000 0.982 125 T HN 0.260 nan 8.240 nan 0.000 0.544 126 R N 2.738 123.270 120.500 0.053 0.000 2.670 126 R HA 0.739 5.079 4.340 0.001 0.000 0.289 126 R C -1.674 174.644 176.300 0.030 0.000 0.965 126 R CA -1.070 55.055 56.100 0.041 0.000 0.899 126 R CB 1.488 31.808 30.300 0.034 0.000 1.173 126 R HN 0.365 nan 8.270 nan 0.000 0.456 127 V N 2.853 122.781 119.914 0.022 0.000 2.409 127 V HA 0.468 4.588 4.120 0.001 0.000 0.291 127 V C -0.106 175.993 176.094 0.008 0.000 1.020 127 V CA -0.775 61.530 62.300 0.009 0.000 0.848 127 V CB 1.616 33.436 31.823 -0.004 0.000 0.990 127 V HN 0.674 nan 8.190 nan 0.000 0.430 128 R N 4.631 125.135 120.500 0.007 0.000 2.422 128 R HA 0.519 4.859 4.340 0.001 0.000 0.307 128 R C -1.065 175.237 176.300 0.003 0.000 1.004 128 R CA -0.684 55.420 56.100 0.006 0.000 0.882 128 R CB 1.681 31.987 30.300 0.009 0.000 1.164 128 R HN 0.613 nan 8.270 nan 0.000 0.489 129 L N 3.664 124.888 121.223 0.001 0.000 2.455 129 L HA 0.102 4.443 4.340 0.001 0.000 0.272 129 L C -0.007 176.864 176.870 0.002 0.000 1.174 129 L CA 0.750 55.590 54.840 -0.000 0.000 0.869 129 L CB 0.367 42.425 42.059 -0.002 0.000 1.130 129 L HN 0.464 nan 8.230 nan 0.000 0.474 130 D N 3.972 124.374 120.400 0.002 0.000 2.472 130 D HA 0.337 4.977 4.640 0.001 0.000 0.248 130 D C 0.519 176.821 176.300 0.002 0.000 1.271 130 D CA 0.484 54.486 54.000 0.003 0.000 0.888 130 D CB 1.500 42.302 40.800 0.004 0.000 1.337 130 D HN 0.770 nan 8.370 nan 0.000 0.526 131 G N 3.293 112.094 108.800 0.002 0.000 2.552 131 G HA2 -0.308 3.653 3.960 0.001 0.000 0.267 131 G HA3 -0.308 3.653 3.960 0.001 0.000 0.267 131 G C 0.534 175.435 174.900 0.001 0.000 1.174 131 G CA 0.466 45.567 45.100 0.001 0.000 0.955 131 G HN 0.437 nan 8.290 nan 0.000 0.546 132 D N 0.818 121.219 120.400 0.002 0.000 2.339 132 D HA 0.321 4.962 4.640 0.001 0.000 0.217 132 D C 0.882 177.185 176.300 0.004 0.000 1.050 132 D CA 1.297 55.298 54.000 0.002 0.000 0.856 132 D CB 0.123 40.924 40.800 0.001 0.000 0.922 132 D HN 0.573 nan 8.370 nan 0.000 0.518 133 T N 0.010 114.567 114.554 0.005 0.000 2.909 133 T HA 0.711 5.061 4.350 0.001 0.000 0.299 133 T C -0.928 173.775 174.700 0.005 0.000 1.073 133 T CA -0.733 61.371 62.100 0.007 0.000 0.999 133 T CB 2.091 70.963 68.868 0.007 0.000 1.098 133 T HN 0.191 nan 8.240 nan 0.000 0.477 134 A N 1.858 124.681 122.820 0.006 0.000 2.337 134 A HA 0.817 5.137 4.320 0.001 0.000 0.329 134 A C -0.759 176.828 177.584 0.005 0.000 1.146 134 A CA -0.644 51.395 52.037 0.003 0.000 0.800 134 A CB 0.954 19.954 19.000 -0.001 0.000 1.220 134 A HN 0.666 nan 8.150 nan 0.000 0.472 135 V N 2.681 122.598 119.914 0.006 0.000 2.378 135 V HA 0.486 4.606 4.120 0.001 0.000 0.288 135 V C -0.263 175.837 176.094 0.010 0.000 1.016 135 V CA -0.596 61.709 62.300 0.008 0.000 0.840 135 V CB 1.207 33.036 31.823 0.010 0.000 0.994 135 V HN 0.789 nan 8.190 nan 0.000 0.431 136 V N 4.178 124.098 119.914 0.010 0.000 2.435 136 V HA 0.731 4.852 4.120 0.001 0.000 0.290 136 V C -1.126 174.981 176.094 0.022 0.000 1.030 136 V CA -0.037 62.271 62.300 0.014 0.000 0.881 136 V CB 1.992 33.819 31.823 0.007 0.000 0.983 136 V HN 1.034 nan 8.190 nan 0.000 0.445 137 D N 3.764 124.182 120.400 0.031 0.000 2.788 137 D HA 0.811 5.451 4.640 0.001 0.000 0.247 137 D C -0.079 176.254 176.300 0.055 0.000 1.236 137 D CA 0.764 54.788 54.000 0.040 0.000 0.898 137 D CB 1.815 42.636 40.800 0.036 0.000 1.401 137 D HN 1.043 nan 8.370 nan 0.000 0.549 138 G N 1.663 110.505 108.800 0.070 0.000 2.356 138 G HA2 0.318 4.278 3.960 0.001 0.000 0.281 138 G HA3 0.318 4.278 3.960 0.001 0.000 0.281 138 G C -1.922 173.066 174.900 0.146 0.000 1.246 138 G CA -0.688 44.473 45.100 0.102 0.000 0.889 138 G HN 0.525 nan 8.290 nan 0.000 0.486 139 H N 0.651 119.740 119.070 0.031 0.000 3.086 139 H HA 0.598 5.154 4.556 0.000 0.000 0.353 139 H C -1.264 174.054 175.328 -0.017 0.000 1.134 139 H CA -0.485 55.564 56.048 0.002 0.000 1.248 139 H CB 2.037 31.822 29.762 0.038 0.000 1.878 139 H HN 0.415 nan 8.280 nan 0.000 0.527 140 K N 2.911 123.340 120.400 0.049 0.000 2.328 140 K HA 0.485 4.805 4.320 0.001 0.000 0.246 140 K C -0.441 176.213 176.600 0.090 0.000 0.955 140 K CA -0.849 55.492 56.287 0.088 0.000 0.817 140 K CB 2.704 35.186 32.500 -0.029 0.000 1.208 140 K HN 0.408 nan 8.250 nan 0.000 0.432 141 V N -2.595 117.389 119.914 0.117 0.000 2.960 141 V HA 0.517 4.638 4.120 0.001 0.000 0.315 141 V C -0.380 175.815 176.094 0.169 0.000 1.087 141 V CA -0.935 61.451 62.300 0.143 0.000 0.982 141 V CB 1.357 33.320 31.823 0.234 0.000 1.039 141 V HN 0.927 nan 8.190 nan 0.000 0.437 142 W N 0.874 122.142 121.300 -0.052 0.000 5.400 142 W HA -0.195 4.465 4.660 0.000 0.000 0.357 142 W C 0.837 177.331 176.519 -0.042 0.000 1.291 142 W CA 1.099 58.411 57.345 -0.056 0.000 0.911 142 W CB -1.969 27.433 29.460 -0.098 0.000 2.382 142 W HN 0.838 nan 8.180 nan 0.000 1.557 143 T N 0.965 115.562 114.554 0.070 0.000 2.765 143 T HA 0.178 4.529 4.350 0.001 0.000 0.284 143 T C 0.874 175.626 174.700 0.088 0.000 0.946 143 T CA 0.230 62.343 62.100 0.023 0.000 1.185 143 T CB 0.473 69.310 68.868 -0.052 0.000 0.887 143 T HN -0.023 nan 8.240 nan 0.000 0.532 144 T N 3.643 118.288 114.554 0.152 0.000 2.916 144 T HA 0.365 4.715 4.350 0.001 0.000 0.303 144 T C 1.449 176.176 174.700 0.045 0.000 1.025 144 T CA 0.423 62.616 62.100 0.155 0.000 1.142 144 T CB 0.366 69.354 68.868 0.200 0.000 0.947 144 T HN 0.893 nan 8.240 nan 0.000 0.544 145 A N 2.077 124.882 122.820 -0.024 0.000 3.420 145 A HA -0.234 4.086 4.320 0.001 0.000 0.269 145 A C 1.937 179.505 177.584 -0.026 0.000 1.122 145 A CA 1.565 53.641 52.037 0.064 0.000 1.023 145 A CB -2.215 16.876 19.000 0.152 0.000 1.099 145 A HN 1.310 nan 8.150 nan 0.000 0.860 146 A N -0.677 122.089 122.820 -0.090 0.000 1.978 146 A HA 0.216 4.536 4.320 0.001 0.000 0.220 146 A C 2.410 179.885 177.584 -0.181 0.000 1.170 146 A CA 2.019 53.993 52.037 -0.105 0.000 0.636 146 A CB -0.953 17.983 19.000 -0.108 0.000 0.810 146 A HN 2.175 nan 8.150 nan 0.000 0.448 147 A N -2.104 120.506 122.820 -0.350 0.000 2.172 147 A HA 0.117 4.437 4.320 0.001 0.000 0.216 147 A C 1.642 178.963 177.584 -0.440 0.000 1.154 147 A CA 1.265 53.032 52.037 -0.451 0.000 0.701 147 A CB -0.503 18.118 19.000 -0.632 0.000 0.789 147 A HN 0.632 nan 8.150 nan 0.000 0.465 148 Y N -1.295 118.958 120.300 -0.080 0.000 2.483 148 Y HA 0.515 5.066 4.550 0.000 0.000 0.258 148 Y C 1.458 177.318 175.900 -0.067 0.000 1.083 148 Y CA -0.757 57.297 58.100 -0.076 0.000 1.283 148 Y CB -0.519 37.891 38.460 -0.083 0.000 1.178 148 Y HN 0.212 nan 8.280 nan 0.000 0.515 149 A N 1.043 123.904 122.820 0.068 0.000 2.483 149 A HA 0.070 4.390 4.320 0.001 0.000 0.238 149 A C 0.838 178.398 177.584 -0.040 0.000 1.070 149 A CA 0.342 52.394 52.037 0.023 0.000 0.770 149 A CB 0.136 19.149 19.000 0.021 0.000 1.008 149 A HN 0.400 nan 8.150 nan 0.000 0.497 150 D N -0.484 119.852 120.400 -0.106 0.000 2.323 150 D HA 0.036 4.677 4.640 0.001 0.000 0.218 150 D C -0.215 175.889 176.300 -0.328 0.000 0.973 150 D CA 0.909 54.756 54.000 -0.254 0.000 0.890 150 D CB 0.102 40.657 40.800 -0.408 0.000 1.011 150 D HN 0.646 nan 8.370 nan 0.000 0.499 151 H N 0.571 119.647 119.070 0.009 0.000 2.495 151 H HA 0.347 4.903 4.556 0.001 0.000 0.348 151 H C -0.289 175.018 175.328 -0.036 0.000 1.113 151 H CA -0.486 55.552 56.048 -0.017 0.000 1.195 151 H CB 2.185 31.929 29.762 -0.029 0.000 1.521 151 H HN -0.109 nan 8.280 nan 0.000 0.509 152 L N 3.802 125.070 121.223 0.076 0.000 2.316 152 L HA 0.213 4.553 4.340 0.001 0.000 0.280 152 L C -0.022 176.836 176.870 -0.019 0.000 1.006 152 L CA -0.701 54.151 54.840 0.020 0.000 0.836 152 L CB 1.498 43.555 42.059 -0.002 0.000 1.221 152 L HN 0.323 nan 8.230 nan 0.000 0.418 153 V N 5.091 124.995 119.914 -0.017 0.000 2.356 153 V HA 0.229 4.350 4.120 0.001 0.000 0.258 153 V C 0.438 176.538 176.094 0.009 0.000 1.065 153 V CA -0.435 61.825 62.300 -0.067 0.000 0.935 153 V CB 1.376 33.170 31.823 -0.049 0.000 1.061 153 V HN 0.416 nan 8.190 nan 0.000 0.484 154 V N 5.951 125.837 119.914 -0.048 0.000 2.427 154 V HA 0.486 4.607 4.120 0.001 0.000 0.286 154 V C -0.204 175.876 176.094 -0.023 0.000 1.034 154 V CA -0.524 61.797 62.300 0.034 0.000 0.893 154 V CB 1.511 33.344 31.823 0.015 0.000 0.982 154 V HN 0.590 nan 8.190 nan 0.000 0.452 155 F N 2.344 122.344 119.950 0.083 0.000 2.397 155 F HA 0.832 5.359 4.527 0.001 0.000 0.331 155 F C 0.883 176.724 175.800 0.069 0.000 1.090 155 F CA 0.418 58.469 58.000 0.084 0.000 1.065 155 F CB 2.052 41.141 39.000 0.148 0.000 1.184 155 F HN 0.687 nan 8.300 nan 0.000 0.499 156 G N 1.643 110.572 108.800 0.215 0.000 2.488 156 G HA2 0.514 4.474 3.960 0.001 0.000 0.301 156 G HA3 0.514 4.474 3.960 0.001 0.000 0.301 156 G C -2.180 172.782 174.900 0.104 0.000 1.339 156 G CA -1.005 44.179 45.100 0.140 0.000 0.803 156 G HN 0.518 nan 8.290 nan 0.000 0.482 157 L N 0.886 122.155 121.223 0.076 0.000 2.295 157 L HA 0.481 4.821 4.340 0.001 0.000 0.285 157 L C 1.163 178.055 176.870 0.037 0.000 1.035 157 L CA -0.617 54.257 54.840 0.056 0.000 0.806 157 L CB 1.838 43.928 42.059 0.051 0.000 1.214 157 L HN 0.786 nan 8.230 nan 0.000 0.426 158 Q N 1.507 121.324 119.800 0.028 0.000 1.157 158 Q HA -0.084 4.256 4.340 0.001 0.000 0.800 158 Q C 0.836 176.846 176.000 0.018 0.000 0.884 158 Q CA 1.484 57.297 55.803 0.017 0.000 0.870 158 Q CB 0.347 29.091 28.738 0.011 0.000 1.616 158 Q HN 0.694 nan 8.270 nan 0.000 0.235 159 E N -1.901 118.308 120.200 0.015 0.000 3.027 159 E HA 0.059 4.409 4.350 0.001 0.000 0.221 159 E C 0.282 176.890 176.600 0.012 0.000 1.070 159 E CA 0.769 57.177 56.400 0.014 0.000 1.705 159 E CB -0.044 29.662 29.700 0.011 0.000 1.998 159 E HN 0.392 nan 8.360 nan 0.000 0.976 160 D N 0.194 120.601 120.400 0.010 0.000 2.397 160 D HA 0.219 4.859 4.640 0.001 0.000 0.262 160 D C 0.599 176.906 176.300 0.011 0.000 1.323 160 D CA 1.021 55.026 54.000 0.009 0.000 0.999 160 D CB -0.573 40.231 40.800 0.007 0.000 0.971 160 D HN 0.162 nan 8.370 nan 0.000 0.338 161 G N 0.820 109.625 108.800 0.009 0.000 2.690 161 G HA2 0.241 4.201 3.960 0.001 0.000 0.294 161 G HA3 0.241 4.201 3.960 0.001 0.000 0.294 161 G C -0.037 174.872 174.900 0.015 0.000 0.793 161 G CA -0.151 44.956 45.100 0.011 0.000 1.818 161 G HN 0.051 nan 8.290 nan 0.000 0.515 162 S N 0.438 116.150 115.700 0.019 0.000 2.558 162 S HA 0.443 4.914 4.470 0.001 0.000 0.287 162 S C 0.981 175.602 174.600 0.035 0.000 1.321 162 S CA 0.837 59.053 58.200 0.027 0.000 1.048 162 S CB 0.729 63.946 63.200 0.029 0.000 0.844 162 S HN 1.889 nan 8.310 nan 0.000 0.512 163 G N 0.439 109.268 108.800 0.048 0.000 3.436 163 G HA2 0.437 4.398 3.960 0.001 0.000 0.685 163 G HA3 0.437 4.398 3.960 0.001 0.000 0.685 163 G C -0.557 174.367 174.900 0.040 0.000 1.039 163 G CA -0.437 44.704 45.100 0.070 0.000 0.879 163 G HN 1.244 nan 8.290 nan 0.000 0.478 164 A N 1.168 124.004 122.820 0.027 0.000 2.606 164 A HA 1.007 5.327 4.320 0.001 0.000 0.293 164 A C -0.622 176.871 177.584 -0.152 0.000 1.082 164 A CA -0.223 51.785 52.037 -0.049 0.000 0.685 164 A CB 2.130 21.108 19.000 -0.038 0.000 1.284 164 A HN 2.013 nan 8.150 nan 0.000 0.408 165 V N 0.800 120.557 119.914 -0.262 0.000 2.531 165 V HA 0.622 4.742 4.120 0.001 0.000 0.301 165 V C -0.692 175.226 176.094 -0.294 0.000 1.034 165 V CA -0.559 61.467 62.300 -0.457 0.000 0.865 165 V CB 1.469 32.860 31.823 -0.720 0.000 0.995 165 V HN 0.763 nan 8.190 nan 0.000 0.424 166 V N 4.758 124.524 119.914 -0.247 0.000 2.540 166 V HA 0.457 4.578 4.120 0.001 0.000 0.302 166 V C -0.205 175.768 176.094 -0.202 0.000 1.035 166 V CA -0.794 61.399 62.300 -0.179 0.000 0.873 166 V CB 2.174 33.938 31.823 -0.098 0.000 0.992 166 V HN 0.593 nan 8.190 nan 0.000 0.428 167 V N 5.526 125.285 119.914 -0.259 0.000 2.353 167 V HA 0.294 4.414 4.120 0.001 0.000 0.264 167 V C 0.003 176.021 176.094 -0.126 0.000 1.049 167 V CA -0.266 61.840 62.300 -0.322 0.000 0.896 167 V CB 1.235 32.576 31.823 -0.803 0.000 1.025 167 V HN 0.633 nan 8.190 nan 0.000 0.475 168 V N 7.904 127.789 119.914 -0.049 0.000 2.398 168 V HA 0.367 4.487 4.120 0.001 0.000 0.286 168 V C -2.337 173.801 176.094 0.073 0.000 1.026 168 V CA -2.289 60.021 62.300 0.016 0.000 0.868 168 V CB 1.784 33.605 31.823 -0.002 0.000 0.982 168 V HN 0.661 nan 8.190 nan 0.000 0.443 169 P HA 0.148 nan 4.420 nan 0.000 0.271 169 P C 0.652 177.966 177.300 0.022 0.000 1.220 169 P CA -0.003 63.152 63.100 0.092 0.000 0.768 169 P CB 0.995 32.749 31.700 0.089 0.000 0.848 170 A N 4.052 126.863 122.820 -0.014 0.000 2.084 170 A HA -0.184 4.137 4.320 0.001 0.000 0.221 170 A C 1.325 178.895 177.584 -0.024 0.000 1.161 170 A CA 1.827 53.846 52.037 -0.029 0.000 0.653 170 A CB -0.837 18.133 19.000 -0.050 0.000 0.802 170 A HN 0.646 nan 8.150 nan 0.000 0.457 171 D N -1.330 119.059 120.400 -0.018 0.000 2.388 171 D HA 0.040 4.680 4.640 0.001 0.000 0.221 171 D C -0.347 175.951 176.300 -0.002 0.000 1.133 171 D CA 0.047 54.040 54.000 -0.013 0.000 0.831 171 D CB -0.529 40.261 40.800 -0.016 0.000 0.962 171 D HN 0.135 nan 8.370 nan 0.000 0.502 172 T N 2.868 117.424 114.554 0.004 0.000 2.870 172 T HA 0.213 4.563 4.350 0.001 0.000 0.300 172 T C -2.364 172.338 174.700 0.005 0.000 0.989 172 T CA -0.786 61.320 62.100 0.010 0.000 1.139 172 T CB 1.192 70.070 68.868 0.017 0.000 0.920 172 T HN 0.011 nan 8.240 nan 0.000 0.537 173 P HA 0.183 nan 4.420 nan 0.000 0.264 173 P C 1.043 178.346 177.300 0.005 0.000 1.183 173 P CA 0.964 64.066 63.100 0.003 0.000 0.763 173 P CB 0.260 31.962 31.700 0.004 0.000 0.807 174 G N 1.125 109.927 108.800 0.004 0.000 2.213 174 G HA2 -0.200 3.760 3.960 0.001 0.000 0.236 174 G HA3 -0.200 3.760 3.960 0.001 0.000 0.236 174 G C -0.024 174.883 174.900 0.012 0.000 0.991 174 G CA -0.030 45.074 45.100 0.008 0.000 0.629 174 G HN 0.683 nan 8.290 nan 0.000 0.517 175 V N 1.873 121.790 119.914 0.006 0.000 2.472 175 V HA 0.862 4.982 4.120 0.001 0.000 0.290 175 V C -0.472 175.626 176.094 0.007 0.000 1.037 175 V CA -0.904 61.398 62.300 0.004 0.000 0.908 175 V CB 1.403 33.220 31.823 -0.010 0.000 0.985 175 V HN 0.272 nan 8.190 nan 0.000 0.454 176 R N 4.764 125.280 120.500 0.028 0.000 2.483 176 R HA 0.410 4.750 4.340 0.001 0.000 0.303 176 R C -1.188 175.132 176.300 0.032 0.000 0.987 176 R CA -0.513 55.618 56.100 0.052 0.000 0.881 176 R CB 1.573 31.931 30.300 0.097 0.000 1.177 176 R HN 0.556 nan 8.270 nan 0.000 0.451 177 V N 2.944 122.844 119.914 -0.024 0.000 2.318 177 V HA 0.303 4.424 4.120 0.001 0.000 0.271 177 V C -0.505 175.550 176.094 -0.066 0.000 1.030 177 V CA -0.449 61.797 62.300 -0.089 0.000 0.844 177 V CB 1.237 32.997 31.823 -0.104 0.000 1.015 177 V HN 0.617 nan 8.190 nan 0.000 0.460 178 E N 5.934 126.092 120.200 -0.070 0.000 2.081 178 E HA 0.431 4.781 4.350 0.001 0.000 0.276 178 E C -0.044 176.487 176.600 -0.115 0.000 0.950 178 E CA -0.359 56.023 56.400 -0.031 0.000 0.776 178 E CB 0.836 30.611 29.700 0.124 0.000 1.094 178 E HN 0.730 nan 8.360 nan 0.000 0.402 179 R N 1.814 122.237 120.500 -0.128 0.000 2.623 179 R HA 0.117 4.458 4.340 0.001 0.000 0.271 179 R C -0.286 175.900 176.300 -0.190 0.000 1.043 179 R CA -0.367 55.630 56.100 -0.171 0.000 1.083 179 R CB 0.429 30.633 30.300 -0.160 0.000 0.974 179 R HN 0.285 nan 8.270 nan 0.000 0.436 180 V N 6.310 126.056 119.914 -0.281 0.000 2.485 180 V HA -0.044 4.076 4.120 0.001 0.000 0.287 180 V C -0.755 175.202 176.094 -0.228 0.000 1.022 180 V CA -0.811 61.255 62.300 -0.390 0.000 1.067 180 V CB 0.732 32.074 31.823 -0.801 0.000 0.967 180 V HN 0.836 nan 8.190 nan 0.000 0.479 181 P HA -0.158 nan 4.420 nan 0.000 0.210 181 P C 0.235 177.504 177.300 -0.052 0.000 1.185 181 P CA 1.438 64.488 63.100 -0.083 0.000 0.924 181 P CB 0.282 31.949 31.700 -0.055 0.000 0.786 182 K N 0.384 120.763 120.400 -0.035 0.000 2.679 182 K HA 0.329 4.649 4.320 0.001 0.000 0.188 182 K C -2.273 174.360 176.600 0.056 0.000 1.055 182 K CA -1.647 54.649 56.287 0.015 0.000 1.006 182 K CB 1.042 33.560 32.500 0.028 0.000 1.317 182 K HN 0.281 nan 8.250 nan 0.000 0.584 183 P HA 0.016 nan 4.420 nan 0.000 0.268 183 P C 0.901 178.318 177.300 0.195 0.000 1.205 183 P CA 0.079 63.301 63.100 0.204 0.000 0.771 183 P CB 1.146 32.995 31.700 0.247 0.000 0.858 184 S N 1.965 117.786 115.700 0.202 0.000 2.387 184 S HA 0.089 4.559 4.470 0.001 0.000 0.226 184 S C 1.058 175.715 174.600 0.095 0.000 1.026 184 S CA 0.696 58.962 58.200 0.110 0.000 0.972 184 S CB -0.611 62.624 63.200 0.057 0.000 0.814 184 S HN 0.742 nan 8.310 nan 0.000 0.477 185 G N -1.883 106.982 108.800 0.109 0.000 2.733 185 G HA2 0.449 4.409 3.960 0.001 0.000 0.288 185 G HA3 0.449 4.409 3.960 0.001 0.000 0.288 185 G C -0.195 174.822 174.900 0.195 0.000 1.373 185 G CA -0.291 44.873 45.100 0.108 0.000 0.895 185 G HN 0.535 nan 8.290 nan 0.000 0.479 186 C N -0.199 119.215 119.300 0.191 0.000 4.165 186 C HA -0.145 4.315 4.460 0.001 0.000 0.299 186 C C 2.351 177.545 174.990 0.340 0.000 1.445 186 C CA 0.568 59.742 59.018 0.260 0.000 2.029 186 C CB -2.018 25.918 27.740 0.326 0.000 1.288 186 C HN 0.880 nan 8.230 nan 0.000 0.752 187 R N 0.143 120.792 120.500 0.248 0.000 2.261 187 R HA -0.103 4.237 4.340 0.001 0.000 0.236 187 R C 1.820 178.209 176.300 0.150 0.000 1.141 187 R CA 1.544 57.773 56.100 0.216 0.000 1.001 187 R CB -0.121 30.274 30.300 0.159 0.000 0.866 187 R HN 0.752 nan 8.270 nan 0.000 0.468 188 A N 0.194 123.092 122.820 0.130 0.000 2.465 188 A HA 0.376 4.697 4.320 0.001 0.000 0.255 188 A C 1.631 179.259 177.584 0.073 0.000 1.274 188 A CA 0.206 52.303 52.037 0.099 0.000 0.920 188 A CB 0.330 19.404 19.000 0.123 0.000 1.033 188 A HN 0.249 nan 8.150 nan 0.000 0.516 189 A N -0.767 122.028 122.820 -0.041 0.000 2.235 189 A HA 0.406 4.727 4.320 0.001 0.000 0.208 189 A C 1.644 179.095 177.584 -0.223 0.000 1.172 189 A CA 0.883 52.837 52.037 -0.139 0.000 0.786 189 A CB -0.902 17.939 19.000 -0.264 0.000 0.804 189 A HN 1.795 nan 8.150 nan 0.000 0.479 190 G N 0.353 108.969 108.800 -0.307 0.000 2.272 190 G HA2 -0.232 3.729 3.960 0.001 0.000 0.280 190 G HA3 -0.232 3.729 3.960 0.001 0.000 0.280 190 G C -0.101 174.533 174.900 -0.442 0.000 1.067 190 G CA 0.179 44.963 45.100 -0.528 0.000 0.902 190 G HN 0.754 nan 8.290 nan 0.000 0.500 191 H N -0.182 118.809 119.070 -0.133 0.000 2.815 191 H HA 0.550 5.106 4.556 0.000 0.000 0.350 191 H C 0.605 175.773 175.328 -0.267 0.000 1.080 191 H CA 1.002 56.961 56.048 -0.148 0.000 1.433 191 H CB 1.431 31.099 29.762 -0.157 0.000 1.432 191 H HN 1.123 nan 8.280 nan 0.000 0.592 192 A N 3.132 125.867 122.820 -0.141 0.000 2.594 192 A HA 0.275 4.595 4.320 0.001 0.000 0.296 192 A C -1.063 176.390 177.584 -0.217 0.000 1.061 192 A CA -1.001 50.909 52.037 -0.211 0.000 0.689 192 A CB 1.474 20.352 19.000 -0.202 0.000 1.280 192 A HN 0.571 nan 8.150 nan 0.000 0.406 193 D N 0.908 121.149 120.400 -0.266 0.000 2.313 193 D HA 0.533 5.173 4.640 0.001 0.000 0.247 193 D C -0.391 175.587 176.300 -0.536 0.000 1.094 193 D CA 0.262 54.055 54.000 -0.345 0.000 0.925 193 D CB 1.180 41.798 40.800 -0.304 0.000 1.188 193 D HN 0.429 nan 8.370 nan 0.000 0.430 194 L N 2.143 122.977 121.223 -0.648 0.000 2.305 194 L HA 0.270 4.610 4.340 0.001 0.000 0.284 194 L C -0.206 176.179 176.870 -0.809 0.000 1.013 194 L CA -0.758 53.747 54.840 -0.560 0.000 0.819 194 L CB 1.241 43.133 42.059 -0.279 0.000 1.227 194 L HN 0.203 nan 8.230 nan 0.000 0.417 195 H N 5.536 124.422 119.070 -0.306 0.000 2.581 195 H HA 0.404 4.960 4.556 0.000 0.000 0.308 195 H C -0.600 174.666 175.328 -0.103 0.000 1.040 195 H CA -0.451 55.463 56.048 -0.224 0.000 1.231 195 H CB 1.700 31.381 29.762 -0.135 0.000 1.396 195 H HN 0.418 nan 8.280 nan 0.000 0.467 196 L N 3.731 124.971 121.223 0.028 0.000 2.301 196 L HA 0.163 4.503 4.340 0.001 0.000 0.278 196 L C 0.102 177.000 176.870 0.047 0.000 1.022 196 L CA -0.587 54.269 54.840 0.027 0.000 0.854 196 L CB 0.907 42.973 42.059 0.012 0.000 1.226 196 L HN 0.466 nan 8.230 nan 0.000 0.429 197 D N 4.609 125.034 120.400 0.041 0.000 2.473 197 D HA 0.121 4.761 4.640 0.001 0.000 0.226 197 D C -0.058 176.256 176.300 0.023 0.000 1.089 197 D CA -0.077 53.944 54.000 0.035 0.000 0.883 197 D CB 0.601 41.418 40.800 0.028 0.000 1.029 197 D HN 0.242 nan 8.370 nan 0.000 0.517 198 Q N 1.505 121.319 119.800 0.024 0.000 2.448 198 Q HA -0.127 4.213 4.340 0.001 0.000 0.356 198 Q C -0.908 175.101 176.000 0.015 0.000 1.430 198 Q CA 0.460 56.274 55.803 0.018 0.000 1.011 198 Q CB -1.414 27.332 28.738 0.015 0.000 1.203 198 Q HN 0.340 nan 8.270 nan 0.000 0.351 199 V N 2.325 122.248 119.914 0.014 0.000 2.406 199 V HA 0.277 4.397 4.120 0.001 0.000 0.272 199 V C 0.701 176.802 176.094 0.011 0.000 1.043 199 V CA -0.343 61.964 62.300 0.012 0.000 0.915 199 V CB 1.315 33.144 31.823 0.010 0.000 0.988 199 V HN 0.291 nan 8.190 nan 0.000 0.466 200 R N 3.696 124.203 120.500 0.012 0.000 2.265 200 R HA 0.698 5.038 4.340 0.001 0.000 0.319 200 R C -0.545 175.764 176.300 0.015 0.000 1.006 200 R CA -0.270 55.837 56.100 0.012 0.000 0.880 200 R CB 1.558 31.865 30.300 0.011 0.000 1.077 200 R HN 0.691 nan 8.270 nan 0.000 0.454 201 V N 0.286 120.210 119.914 0.016 0.000 3.114 201 V HA 0.723 4.843 4.120 0.001 0.000 0.308 201 V C -2.670 173.438 176.094 0.023 0.000 1.168 201 V CA -3.212 59.102 62.300 0.024 0.000 1.015 201 V CB 2.341 34.180 31.823 0.027 0.000 1.050 201 V HN 0.482 nan 8.190 nan 0.000 0.433 202 P HA 0.227 nan 4.420 nan 0.000 0.267 202 P C 0.779 178.094 177.300 0.023 0.000 1.200 202 P CA 0.714 63.829 63.100 0.025 0.000 0.772 202 P CB 0.864 32.582 31.700 0.030 0.000 0.855 203 A N 3.549 126.378 122.820 0.014 0.000 2.076 203 A HA -0.103 4.217 4.320 0.001 0.000 0.220 203 A C 2.203 179.796 177.584 0.016 0.000 1.160 203 A CA 2.015 54.058 52.037 0.010 0.000 0.653 203 A CB -1.568 17.434 19.000 0.004 0.000 0.801 203 A HN 0.662 nan 8.150 nan 0.000 0.455 204 G N -1.083 107.732 108.800 0.024 0.000 2.598 204 G HA2 0.146 4.106 3.960 0.001 0.000 0.215 204 G HA3 0.146 4.106 3.960 0.001 0.000 0.215 204 G C 1.436 176.393 174.900 0.096 0.000 1.131 204 G CA 0.965 46.087 45.100 0.037 0.000 0.785 204 G HN 0.720 nan 8.290 nan 0.000 0.539 205 A N 0.007 122.882 122.820 0.092 0.000 2.014 205 A HA 0.296 4.616 4.320 0.001 0.000 0.218 205 A C 1.136 178.724 177.584 0.007 0.000 1.163 205 A CA 0.386 52.489 52.037 0.110 0.000 0.652 205 A CB -0.022 19.016 19.000 0.062 0.000 0.808 205 A HN 0.169 nan 8.150 nan 0.000 0.449 206 V N 2.428 122.338 119.914 -0.007 0.000 2.387 206 V HA 0.146 4.266 4.120 0.001 0.000 0.260 206 V C 0.337 176.402 176.094 -0.047 0.000 1.054 206 V CA -0.291 61.980 62.300 -0.049 0.000 0.967 206 V CB 0.112 31.913 31.823 -0.038 0.000 1.036 206 V HN 0.405 nan 8.190 nan 0.000 0.481 207 L N 4.288 125.456 121.223 -0.093 0.000 2.543 207 L HA 0.175 4.515 4.340 0.001 0.000 0.285 207 L C 1.140 177.970 176.870 -0.067 0.000 1.236 207 L CA 0.229 55.018 54.840 -0.084 0.000 0.871 207 L CB 0.162 42.129 42.059 -0.153 0.000 1.121 207 L HN 0.765 nan 8.230 nan 0.000 0.501 208 A N 2.225 125.017 122.820 -0.048 0.000 2.445 208 A HA 0.458 4.778 4.320 0.001 0.000 0.242 208 A C 1.193 178.746 177.584 -0.052 0.000 1.075 208 A CA 0.401 52.413 52.037 -0.041 0.000 0.777 208 A CB 0.205 19.186 19.000 -0.031 0.000 1.013 208 A HN 1.152 nan 8.150 nan 0.000 0.493 209 G N 0.508 109.284 108.800 -0.040 0.000 2.159 209 G HA2 -0.226 3.735 3.960 0.001 0.000 0.256 209 G HA3 -0.226 3.735 3.960 0.001 0.000 0.256 209 G C 0.748 175.625 174.900 -0.039 0.000 0.977 209 G CA 0.568 45.645 45.100 -0.038 0.000 0.652 209 G HN 1.139 nan 8.290 nan 0.000 0.531 210 S N 0.414 116.086 115.700 -0.047 0.000 2.906 210 S HA 0.381 4.851 4.470 0.001 0.000 0.234 210 S C 1.822 176.408 174.600 -0.023 0.000 0.973 210 S CA 0.990 59.160 58.200 -0.050 0.000 1.036 210 S CB -0.045 63.115 63.200 -0.067 0.000 0.798 210 S HN 1.141 nan 8.310 nan 0.000 0.498 211 G N 0.020 108.812 108.800 -0.013 0.000 2.944 211 G HA2 0.500 4.460 3.960 0.001 0.000 0.223 211 G HA3 0.500 4.460 3.960 0.001 0.000 0.223 211 G C 0.408 175.311 174.900 0.005 0.000 1.071 211 G CA 0.216 45.314 45.100 -0.003 0.000 0.806 211 G HN 0.555 nan 8.290 nan 0.000 0.538 212 A N 1.001 123.825 122.820 0.007 0.000 2.327 212 A HA 0.593 4.914 4.320 0.001 0.000 0.255 212 A C 1.266 178.864 177.584 0.024 0.000 1.099 212 A CA 0.426 52.471 52.037 0.014 0.000 0.801 212 A CB 0.075 19.083 19.000 0.014 0.000 1.062 212 A HN 0.978 nan 8.150 nan 0.000 0.496 213 S N 0.051 115.765 115.700 0.024 0.000 2.580 213 S HA 0.115 4.586 4.470 0.001 0.000 0.261 213 S C 1.228 175.852 174.600 0.040 0.000 1.366 213 S CA -0.029 58.187 58.200 0.027 0.000 0.996 213 S CB -0.021 63.191 63.200 0.019 0.000 0.902 213 S HN 0.561 nan 8.310 nan 0.000 0.566 214 L N 0.705 121.951 121.223 0.039 0.000 1.971 214 L HA 0.067 4.408 4.340 0.001 0.000 0.215 214 L C -0.874 176.014 176.870 0.030 0.000 1.072 214 L CA 1.524 56.394 54.840 0.049 0.000 0.758 214 L CB -3.550 38.529 42.059 0.033 0.000 0.889 214 L HN 0.542 nan 8.230 nan 0.000 0.433 215 P HA 0.030 nan 4.420 nan 0.000 0.296 215 P C 1.009 178.315 177.300 0.010 0.000 1.295 215 P CA 0.022 63.114 63.100 -0.012 0.000 0.754 215 P CB 0.652 32.345 31.700 -0.012 0.000 1.311 216 M N -4.799 114.805 119.600 0.008 0.000 3.432 216 M HA -0.241 4.239 4.480 0.001 0.000 0.139 216 M C 0.699 177.027 176.300 0.048 0.000 0.691 216 M CA 1.676 56.993 55.300 0.028 0.000 0.639 216 M CB -2.955 29.663 32.600 0.029 0.000 1.882 216 M HN 0.258 nan 8.290 nan 0.000 0.254 217 L N 0.374 121.643 121.223 0.076 0.000 2.472 217 L HA 0.302 4.642 4.340 0.001 0.000 0.260 217 L C 2.022 178.948 176.870 0.094 0.000 1.209 217 L CA 0.253 55.198 54.840 0.175 0.000 0.817 217 L CB 0.534 42.749 42.059 0.259 0.000 1.106 217 L HN 0.464 nan 8.230 nan 0.000 0.479 218 V N -0.601 119.348 119.914 0.059 0.000 0.516 218 V HA -0.434 3.687 4.120 0.001 0.000 0.092 218 V C 1.826 177.759 176.094 -0.268 0.000 2.243 218 V CA 1.976 63.962 62.300 -0.522 0.000 3.573 218 V CB -1.902 29.553 31.823 -0.613 0.000 0.862 218 V HN 1.011 nan 8.190 nan 0.000 0.902 219 A N -0.409 122.337 122.820 -0.123 0.000 1.972 219 A HA 0.155 4.475 4.320 0.001 0.000 0.219 219 A C 2.205 179.817 177.584 0.046 0.000 1.169 219 A CA 3.257 55.262 52.037 -0.054 0.000 0.635 219 A CB -0.580 18.406 19.000 -0.023 0.000 0.810 219 A HN 1.583 nan 8.150 nan 0.000 0.446 220 A N -1.027 121.855 122.820 0.103 0.000 1.897 220 A HA -0.032 4.288 4.320 0.001 0.000 0.215 220 A C 2.465 180.286 177.584 0.395 0.000 1.181 220 A CA 1.978 54.155 52.037 0.233 0.000 0.620 220 A CB -0.787 18.297 19.000 0.141 0.000 0.821 220 A HN 0.545 nan 8.150 nan 0.000 0.443 221 S N -0.686 115.174 115.700 0.267 0.000 2.395 221 S HA 0.029 4.500 4.470 0.001 0.000 0.225 221 S C 1.856 176.598 174.600 0.238 0.000 1.027 221 S CA 0.906 59.311 58.200 0.342 0.000 0.965 221 S CB -0.414 62.963 63.200 0.295 0.000 0.812 221 S HN 0.475 nan 8.310 nan 0.000 0.482 222 L N 1.103 122.344 121.223 0.031 0.000 2.275 222 L HA 0.004 4.344 4.340 0.001 0.000 0.215 222 L C 2.840 179.737 176.870 0.046 0.000 1.119 222 L CA 0.838 55.668 54.840 -0.016 0.000 0.790 222 L CB -0.650 41.322 42.059 -0.145 0.000 0.919 222 L HN 0.412 nan 8.230 nan 0.000 0.443 223 A N -0.401 122.472 122.820 0.089 0.000 1.883 223 A HA -0.253 4.067 4.320 0.001 0.000 0.217 223 A C 1.061 178.612 177.584 -0.054 0.000 1.186 223 A CA 1.156 53.208 52.037 0.025 0.000 0.624 223 A CB -0.612 18.439 19.000 0.086 0.000 0.822 223 A HN 0.331 nan 8.150 nan 0.000 0.444 224 Y N -0.927 119.282 120.300 -0.152 0.000 2.301 224 Y HA 0.424 4.974 4.550 0.000 0.000 0.325 224 Y C 1.393 177.290 175.900 -0.005 0.000 1.203 224 Y CA 0.415 58.400 58.100 -0.192 0.000 1.255 224 Y CB 1.111 39.403 38.460 -0.281 0.000 1.232 224 Y HN 0.589 nan 8.280 nan 0.000 0.501 225 G N 4.133 112.968 108.800 0.058 0.000 2.850 225 G HA2 -0.290 3.671 3.960 0.001 0.000 0.207 225 G HA3 -0.290 3.671 3.960 0.001 0.000 0.207 225 G C 1.470 176.386 174.900 0.027 0.000 1.302 225 G CA 0.372 45.565 45.100 0.155 0.000 0.832 225 G HN 0.609 nan 8.290 nan 0.000 0.543 226 R N 0.963 121.457 120.500 -0.009 0.000 2.075 226 R HA 0.085 4.426 4.340 0.001 0.000 0.232 226 R C 2.548 178.795 176.300 -0.088 0.000 1.126 226 R CA 1.618 57.694 56.100 -0.039 0.000 0.963 226 R CB -0.245 30.027 30.300 -0.045 0.000 0.858 226 R HN 0.509 nan 8.270 nan 0.000 0.435 227 K N -0.011 120.299 120.400 -0.150 0.000 2.057 227 K HA -0.089 4.231 4.320 0.001 0.000 0.206 227 K C 2.187 178.747 176.600 -0.068 0.000 1.050 227 K CA 1.589 57.781 56.287 -0.157 0.000 0.935 227 K CB -0.080 32.270 32.500 -0.250 0.000 0.715 227 K HN -0.025 nan 8.250 nan 0.000 0.439 228 S N -0.081 115.518 115.700 -0.169 0.000 2.368 228 S HA -0.076 4.394 4.470 0.001 0.000 0.224 228 S C 1.870 176.501 174.600 0.052 0.000 1.029 228 S CA 1.094 59.266 58.200 -0.047 0.000 0.988 228 S CB -0.126 63.036 63.200 -0.064 0.000 0.838 228 S HN 0.218 nan 8.310 nan 0.000 0.462 229 V N 2.155 122.081 119.914 0.020 0.000 2.407 229 V HA -0.133 3.987 4.120 0.001 0.000 0.248 229 V C 2.783 178.873 176.094 -0.006 0.000 1.055 229 V CA 1.700 64.014 62.300 0.024 0.000 1.049 229 V CB -1.257 30.577 31.823 0.018 0.000 0.662 229 V HN 0.591 nan 8.190 nan 0.000 0.455 230 A N -1.029 121.755 122.820 -0.061 0.000 1.883 230 A HA -0.262 4.058 4.320 0.001 0.000 0.217 230 A C 1.952 179.437 177.584 -0.166 0.000 1.186 230 A CA 2.030 53.970 52.037 -0.161 0.000 0.624 230 A CB -0.887 17.949 19.000 -0.274 0.000 0.822 230 A HN 0.670 nan 8.150 nan 0.000 0.444 231 W N -0.335 120.926 121.300 -0.065 0.000 2.402 231 W HA 0.058 4.719 4.660 0.000 0.000 0.286 231 W C 2.506 178.998 176.519 -0.045 0.000 1.221 231 W CA 0.776 58.090 57.345 -0.053 0.000 1.257 231 W CB -0.338 29.087 29.460 -0.060 0.000 1.120 231 W HN 0.407 nan 8.180 nan 0.000 0.551 232 G N -0.569 108.333 108.800 0.170 0.000 2.418 232 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 232 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 232 G C 1.244 176.178 174.900 0.056 0.000 1.158 232 G CA 1.405 46.560 45.100 0.091 0.000 0.771 232 G HN 0.288 nan 8.290 nan 0.000 0.545 233 C N -0.050 119.264 119.300 0.023 0.000 2.435 233 C HA 0.052 4.512 4.460 0.001 0.000 0.279 233 C C 3.028 178.014 174.990 -0.006 0.000 1.321 233 C CA 0.449 59.462 59.018 -0.008 0.000 1.752 233 C CB -0.806 26.906 27.740 -0.047 0.000 1.959 233 C HN 0.289 nan 8.230 nan 0.000 0.500 234 V N 1.505 121.422 119.914 0.004 0.000 2.407 234 V HA -0.118 4.002 4.120 0.001 0.000 0.248 234 V C 2.650 178.783 176.094 0.065 0.000 1.055 234 V CA 2.386 64.698 62.300 0.020 0.000 1.049 234 V CB -1.418 30.451 31.823 0.076 0.000 0.662 234 V HN 0.653 nan 8.190 nan 0.000 0.455 235 G N -0.077 108.775 108.800 0.087 0.000 2.418 235 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 235 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 235 G C 1.566 176.487 174.900 0.035 0.000 1.158 235 G CA 0.966 46.104 45.100 0.063 0.000 0.771 235 G HN 0.489 nan 8.290 nan 0.000 0.545 236 I N 0.295 120.882 120.570 0.029 0.000 2.226 236 I HA -0.150 4.021 4.170 0.001 0.000 0.245 236 I C 2.706 178.842 176.117 0.032 0.000 1.100 236 I CA 0.724 62.040 61.300 0.027 0.000 1.374 236 I CB -0.230 37.783 38.000 0.022 0.000 1.057 236 I HN 0.128 nan 8.210 nan 0.000 0.413 237 L N 0.138 121.376 121.223 0.024 0.000 2.083 237 L HA -0.188 4.153 4.340 0.001 0.000 0.209 237 L C 2.787 179.688 176.870 0.052 0.000 1.083 237 L CA 1.305 56.160 54.840 0.026 0.000 0.752 237 L CB -0.495 41.560 42.059 -0.006 0.000 0.899 237 L HN 0.155 nan 8.230 nan 0.000 0.433 238 R N -0.273 120.262 120.500 0.058 0.000 2.073 238 R HA -0.161 4.180 4.340 0.001 0.000 0.234 238 R C 2.428 178.775 176.300 0.079 0.000 1.134 238 R CA 1.455 57.607 56.100 0.086 0.000 0.952 238 R CB -0.543 29.812 30.300 0.091 0.000 0.850 238 R HN 0.361 nan 8.270 nan 0.000 0.433 239 A N 0.503 123.353 122.820 0.051 0.000 1.902 239 A HA -0.179 4.141 4.320 0.001 0.000 0.217 239 A C 2.413 180.033 177.584 0.060 0.000 1.181 239 A CA 1.471 53.532 52.037 0.040 0.000 0.623 239 A CB -0.752 18.258 19.000 0.018 0.000 0.818 239 A HN 0.458 nan 8.150 nan 0.000 0.443 240 C N -1.202 118.137 119.300 0.066 0.000 2.446 240 C HA -0.020 4.440 4.460 0.001 0.000 0.277 240 C C 2.821 177.863 174.990 0.088 0.000 1.275 240 C CA 1.037 60.099 59.018 0.073 0.000 1.727 240 C CB -1.091 26.687 27.740 0.063 0.000 2.010 240 C HN 0.650 nan 8.230 nan 0.000 0.486 241 R N 1.470 122.033 120.500 0.105 0.000 2.081 241 R HA -0.135 4.206 4.340 0.001 0.000 0.235 241 R C 2.243 178.622 176.300 0.132 0.000 1.131 241 R CA 2.571 58.756 56.100 0.142 0.000 0.960 241 R CB -1.058 29.364 30.300 0.203 0.000 0.856 241 R HN 0.687 nan 8.270 nan 0.000 0.436 242 T N -1.647 112.978 114.554 0.118 0.000 2.821 242 T HA 0.030 4.380 4.350 0.001 0.000 0.267 242 T C 2.052 176.805 174.700 0.089 0.000 1.046 242 T CA 1.104 63.264 62.100 0.099 0.000 1.139 242 T CB -0.261 68.659 68.868 0.087 0.000 0.871 242 T HN 0.265 nan 8.240 nan 0.000 0.454 243 A N 1.725 124.599 122.820 0.090 0.000 1.897 243 A HA 0.477 4.797 4.320 0.001 0.000 0.215 243 A C 2.794 180.450 177.584 0.121 0.000 1.181 243 A CA 1.518 53.617 52.037 0.103 0.000 0.620 243 A CB -1.296 17.774 19.000 0.116 0.000 0.821 243 A HN 0.701 nan 8.150 nan 0.000 0.443 244 A N 0.123 123.009 122.820 0.109 0.000 1.873 244 A HA 0.004 4.324 4.320 0.001 0.000 0.215 244 A C 2.336 180.001 177.584 0.136 0.000 1.186 244 A CA 2.210 54.319 52.037 0.120 0.000 0.616 244 A CB -1.298 17.762 19.000 0.101 0.000 0.823 244 A HN 1.090 nan 8.150 nan 0.000 0.442 245 V N -2.011 117.969 119.914 0.109 0.000 2.343 245 V HA -0.116 4.004 4.120 0.001 0.000 0.247 245 V C 2.587 178.729 176.094 0.080 0.000 1.051 245 V CA 1.900 64.249 62.300 0.082 0.000 1.036 245 V CB -1.710 30.147 31.823 0.057 0.000 0.654 245 V HN 0.518 nan 8.190 nan 0.000 0.451 246 A N 0.101 122.977 122.820 0.094 0.000 1.908 246 A HA -0.294 4.027 4.320 0.001 0.000 0.218 246 A C 2.191 179.847 177.584 0.120 0.000 1.181 246 A CA 2.439 54.530 52.037 0.090 0.000 0.627 246 A CB -1.089 17.965 19.000 0.092 0.000 0.818 246 A HN 0.815 nan 8.150 nan 0.000 0.445 247 H N -0.351 118.746 119.070 0.046 0.000 2.395 247 H HA 0.163 4.720 4.556 0.000 0.000 0.299 247 H C 2.149 177.502 175.328 0.041 0.000 1.070 247 H CA 1.528 57.602 56.048 0.044 0.000 1.356 247 H CB -0.222 29.567 29.762 0.045 0.000 1.401 247 H HN 0.388 nan 8.280 nan 0.000 0.524 248 A N 0.978 123.844 122.820 0.076 0.000 2.015 248 A HA -0.122 4.198 4.320 0.001 0.000 0.219 248 A C 2.167 179.738 177.584 -0.023 0.000 1.163 248 A CA 1.493 53.542 52.037 0.020 0.000 0.646 248 A CB -0.352 18.689 19.000 0.069 0.000 0.806 248 A HN 0.663 nan 8.150 nan 0.000 0.448 249 R N -0.699 119.792 120.500 -0.016 0.000 2.362 249 R HA 0.087 4.427 4.340 0.001 0.000 0.227 249 R C 1.192 177.469 176.300 -0.038 0.000 0.905 249 R CA 1.154 57.237 56.100 -0.028 0.000 1.067 249 R CB -0.381 29.909 30.300 -0.018 0.000 1.078 249 R HN 0.450 nan 8.270 nan 0.000 0.516 250 T N -2.406 112.115 114.554 -0.055 0.000 3.098 250 T HA 0.141 4.491 4.350 0.001 0.000 0.246 250 T C 0.806 175.449 174.700 -0.095 0.000 0.983 250 T CA -0.363 61.704 62.100 -0.056 0.000 1.094 250 T CB -0.067 68.785 68.868 -0.026 0.000 1.035 250 T HN 0.071 nan 8.240 nan 0.000 0.456 251 R N 2.745 123.128 120.500 -0.196 0.000 2.489 251 R HA 0.321 4.662 4.340 0.001 0.000 0.287 251 R C -0.644 175.582 176.300 -0.123 0.000 1.053 251 R CA 0.165 56.123 56.100 -0.237 0.000 1.036 251 R CB -0.211 29.734 30.300 -0.593 0.000 0.966 251 R HN 0.499 nan 8.270 nan 0.000 0.432 252 E N 2.949 123.110 120.200 -0.065 0.000 2.212 252 E HA 0.296 4.646 4.350 0.001 0.000 0.268 252 E C -1.106 175.505 176.600 0.018 0.000 0.902 252 E CA -0.963 55.430 56.400 -0.012 0.000 0.779 252 E CB 2.078 31.768 29.700 -0.016 0.000 1.172 252 E HN 0.395 nan 8.360 nan 0.000 0.409 253 Q N 1.401 121.271 119.800 0.116 0.000 2.320 253 Q HA 0.303 4.643 4.340 0.001 0.000 0.272 253 Q C -1.510 174.675 176.000 0.309 0.000 1.023 253 Q CA -0.482 55.378 55.803 0.096 0.000 0.855 253 Q CB 0.799 29.618 28.738 0.135 0.000 1.367 253 Q HN 0.585 nan 8.270 nan 0.000 0.406 254 F N 2.191 122.193 119.950 0.088 0.000 3.080 254 F HA -0.169 4.359 4.527 0.001 0.000 0.292 254 F C 1.127 176.983 175.800 0.093 0.000 0.891 254 F CA 1.471 59.524 58.000 0.089 0.000 1.086 254 F CB -1.558 37.504 39.000 0.102 0.000 1.095 254 F HN 0.922 nan 8.300 nan 0.000 0.633 255 G N 0.203 109.088 108.800 0.142 0.000 2.148 255 G HA2 -0.282 3.679 3.960 0.001 0.000 0.254 255 G HA3 -0.282 3.679 3.960 0.001 0.000 0.254 255 G C 0.183 175.118 174.900 0.059 0.000 0.981 255 G CA 0.393 45.545 45.100 0.086 0.000 0.670 255 G HN 1.062 nan 8.290 nan 0.000 0.528 256 R N -1.859 118.678 120.500 0.062 0.000 2.692 256 R HA 0.588 4.929 4.340 0.001 0.000 0.269 256 R C -3.507 172.750 176.300 -0.071 0.000 1.030 256 R CA -2.005 54.072 56.100 -0.038 0.000 0.882 256 R CB 0.639 30.870 30.300 -0.114 0.000 1.250 256 R HN 0.005 nan 8.270 nan 0.000 0.465 257 P HA 0.037 nan 4.420 nan 0.000 0.266 257 P C 0.830 178.058 177.300 -0.120 0.000 1.195 257 P CA -0.148 62.900 63.100 -0.086 0.000 0.768 257 P CB 0.534 32.187 31.700 -0.079 0.000 0.838 258 L N 2.271 123.485 121.223 -0.015 0.000 2.081 258 L HA -0.212 4.129 4.340 0.001 0.000 0.212 258 L C 2.545 179.438 176.870 0.039 0.000 1.080 258 L CA 2.063 56.974 54.840 0.118 0.000 0.754 258 L CB -1.351 40.768 42.059 0.100 0.000 0.893 258 L HN 0.594 nan 8.230 nan 0.000 0.433 259 G N -0.489 108.301 108.800 -0.017 0.000 2.479 259 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 259 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 259 G C 1.057 175.920 174.900 -0.061 0.000 1.115 259 G CA 0.825 45.915 45.100 -0.017 0.000 0.757 259 G HN 0.339 nan 8.290 nan 0.000 0.560 260 D N -0.117 120.187 120.400 -0.159 0.000 2.347 260 D HA 0.021 4.662 4.640 0.001 0.000 0.215 260 D C 0.325 176.500 176.300 -0.208 0.000 0.976 260 D CA 0.264 54.146 54.000 -0.196 0.000 0.884 260 D CB -0.063 40.590 40.800 -0.244 0.000 0.915 260 D HN 0.292 nan 8.370 nan 0.000 0.526 261 H N 1.254 120.323 119.070 -0.001 0.000 2.800 261 H HA 0.121 4.678 4.556 0.001 0.000 0.291 261 H C 1.171 176.483 175.328 -0.026 0.000 1.076 261 H CA 0.018 56.056 56.048 -0.016 0.000 1.452 261 H CB 1.118 30.878 29.762 -0.003 0.000 1.461 261 H HN 0.112 nan 8.280 nan 0.000 0.488 262 Q N 2.537 122.376 119.800 0.064 0.000 2.173 262 Q HA -0.150 4.190 4.340 0.001 0.000 0.208 262 Q C 1.847 177.833 176.000 -0.023 0.000 0.989 262 Q CA 1.160 56.968 55.803 0.008 0.000 0.872 262 Q CB 0.190 28.923 28.738 -0.008 0.000 0.909 262 Q HN 0.665 nan 8.270 nan 0.000 0.420 263 L N -0.709 120.496 121.223 -0.029 0.000 2.083 263 L HA -0.192 4.149 4.340 0.001 0.000 0.209 263 L C 2.257 179.024 176.870 -0.172 0.000 1.083 263 L CA 0.780 55.547 54.840 -0.123 0.000 0.752 263 L CB -0.291 41.711 42.059 -0.095 0.000 0.899 263 L HN 0.136 nan 8.230 nan 0.000 0.433 264 V N -0.225 119.697 119.914 0.014 0.000 2.453 264 V HA -0.216 3.905 4.120 0.001 0.000 0.247 264 V C 2.716 178.854 176.094 0.074 0.000 1.048 264 V CA 1.545 63.913 62.300 0.115 0.000 1.049 264 V CB -0.729 31.200 31.823 0.175 0.000 0.672 264 V HN 0.457 nan 8.190 nan 0.000 0.457 265 A N 0.785 123.624 122.820 0.032 0.000 1.908 265 A HA -0.148 4.172 4.320 0.001 0.000 0.218 265 A C 2.431 180.023 177.584 0.013 0.000 1.181 265 A CA 2.080 54.129 52.037 0.021 0.000 0.627 265 A CB -1.281 17.719 19.000 -0.000 0.000 0.818 265 A HN 0.527 nan 8.150 nan 0.000 0.445 266 G N -1.364 107.407 108.800 -0.049 0.000 2.440 266 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 266 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 266 G C 1.492 176.381 174.900 -0.018 0.000 1.154 266 G CA 1.187 46.244 45.100 -0.073 0.000 0.767 266 G HN 0.653 nan 8.290 nan 0.000 0.552 267 H N 0.421 119.521 119.070 0.050 0.000 2.389 267 H HA 0.056 4.612 4.556 0.000 0.000 0.299 267 H C 2.724 178.096 175.328 0.072 0.000 1.081 267 H CA 0.952 57.033 56.048 0.054 0.000 1.345 267 H CB -0.213 29.579 29.762 0.050 0.000 1.393 267 H HN 0.365 nan 8.280 nan 0.000 0.520 268 I N 0.472 121.159 120.570 0.195 0.000 2.226 268 I HA -0.214 3.957 4.170 0.001 0.000 0.245 268 I C 2.739 178.961 176.117 0.175 0.000 1.100 268 I CA 0.984 62.378 61.300 0.157 0.000 1.374 268 I CB -0.270 37.793 38.000 0.104 0.000 1.057 268 I HN 0.143 nan 8.210 nan 0.000 0.413 269 A N 0.514 123.420 122.820 0.144 0.000 1.902 269 A HA -0.217 4.103 4.320 0.001 0.000 0.217 269 A C 1.946 179.645 177.584 0.193 0.000 1.181 269 A CA 1.967 54.107 52.037 0.172 0.000 0.623 269 A CB -0.527 18.537 19.000 0.105 0.000 0.818 269 A HN 0.343 nan 8.150 nan 0.000 0.443 270 D N -0.079 120.409 120.400 0.148 0.000 2.178 270 D HA -0.069 4.571 4.640 0.001 0.000 0.202 270 D C 1.923 178.291 176.300 0.114 0.000 0.974 270 D CA 0.770 54.840 54.000 0.118 0.000 0.841 270 D CB -0.266 40.605 40.800 0.119 0.000 0.953 270 D HN 0.439 nan 8.370 nan 0.000 0.478 271 L N -0.009 121.305 121.223 0.151 0.000 2.056 271 L HA -0.087 4.254 4.340 0.001 0.000 0.207 271 L C 2.505 179.471 176.870 0.161 0.000 1.078 271 L CA 0.822 55.743 54.840 0.135 0.000 0.749 271 L CB -0.186 41.961 42.059 0.148 0.000 0.901 271 L HN 0.248 nan 8.230 nan 0.000 0.433 272 W N 0.755 122.077 121.300 0.036 0.000 2.355 272 W HA -0.215 4.445 4.660 0.000 0.000 0.309 272 W C 2.092 178.624 176.519 0.022 0.000 1.206 272 W CA 1.855 59.218 57.345 0.031 0.000 1.284 272 W CB -0.229 29.249 29.460 0.031 0.000 1.145 272 W HN 0.094 nan 8.180 nan 0.000 0.502 273 T N 1.414 115.944 114.554 -0.040 0.000 2.746 273 T HA -0.155 4.196 4.350 0.001 0.000 0.267 273 T C 2.073 176.663 174.700 -0.183 0.000 1.039 273 T CA 2.082 64.089 62.100 -0.154 0.000 1.142 273 T CB -0.669 68.201 68.868 0.003 0.000 0.866 273 T HN 0.254 nan 8.240 nan 0.000 0.444 274 A N 1.382 124.140 122.820 -0.104 0.000 1.877 274 A HA -0.138 4.182 4.320 0.001 0.000 0.216 274 A C 2.216 179.708 177.584 -0.154 0.000 1.186 274 A CA 1.906 53.882 52.037 -0.102 0.000 0.620 274 A CB -0.663 18.308 19.000 -0.048 0.000 0.822 274 A HN 0.609 nan 8.150 nan 0.000 0.443 275 E N -0.798 119.298 120.200 -0.174 0.000 2.085 275 E HA -0.264 4.086 4.350 0.001 0.000 0.194 275 E C 2.090 178.511 176.600 -0.299 0.000 0.994 275 E CA 1.409 57.690 56.400 -0.200 0.000 0.801 275 E CB -0.100 29.496 29.700 -0.173 0.000 0.743 275 E HN 0.547 nan 8.360 nan 0.000 0.453 276 Q N 0.330 119.845 119.800 -0.475 0.000 2.079 276 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 276 Q C 2.366 178.208 176.000 -0.263 0.000 0.974 276 Q CA 1.042 56.574 55.803 -0.451 0.000 0.840 276 Q CB -0.286 28.092 28.738 -0.600 0.000 0.898 276 Q HN 0.465 nan 8.270 nan 0.000 0.430 277 I N 0.616 121.050 120.570 -0.226 0.000 2.179 277 I HA -0.278 3.892 4.170 0.001 0.000 0.242 277 I C 2.296 178.307 176.117 -0.176 0.000 1.088 277 I CA 1.135 62.332 61.300 -0.171 0.000 1.357 277 I CB -0.445 37.469 38.000 -0.144 0.000 1.051 277 I HN 0.080 nan 8.210 nan 0.000 0.409 278 A N 0.707 123.416 122.820 -0.184 0.000 1.908 278 A HA -0.192 4.128 4.320 0.001 0.000 0.218 278 A C 2.527 179.952 177.584 -0.266 0.000 1.181 278 A CA 1.972 53.885 52.037 -0.207 0.000 0.627 278 A CB -0.840 18.055 19.000 -0.175 0.000 0.818 278 A HN 0.454 nan 8.150 nan 0.000 0.445 279 A N -0.402 122.288 122.820 -0.216 0.000 1.877 279 A HA -0.144 4.177 4.320 0.001 0.000 0.216 279 A C 2.216 179.691 177.584 -0.182 0.000 1.186 279 A CA 1.468 53.388 52.037 -0.195 0.000 0.620 279 A CB -0.444 18.518 19.000 -0.063 0.000 0.822 279 A HN 0.404 nan 8.150 nan 0.000 0.443 280 R N -0.581 119.839 120.500 -0.132 0.000 2.083 280 R HA -0.105 4.235 4.340 0.001 0.000 0.237 280 R C 2.133 178.384 176.300 -0.081 0.000 1.137 280 R CA 1.447 57.500 56.100 -0.077 0.000 0.951 280 R CB -1.672 28.578 30.300 -0.083 0.000 0.851 280 R HN 0.432 nan 8.270 nan 0.000 0.434 281 V N 0.551 120.376 119.914 -0.148 0.000 2.515 281 V HA -0.229 3.892 4.120 0.001 0.000 0.250 281 V C 2.202 178.195 176.094 -0.168 0.000 1.058 281 V CA 1.684 63.904 62.300 -0.134 0.000 1.064 281 V CB -0.288 31.438 31.823 -0.162 0.000 0.675 281 V HN 0.345 nan 8.190 nan 0.000 0.461 282 C N 0.060 119.119 119.300 -0.401 0.000 2.457 282 C HA -0.073 4.387 4.460 0.001 0.000 0.278 282 C C 2.494 177.277 174.990 -0.344 0.000 1.309 282 C CA 1.103 59.671 59.018 -0.750 0.000 1.735 282 C CB -1.068 25.575 27.740 -1.829 0.000 1.992 282 C HN 0.676 nan 8.230 nan 0.000 0.493 283 E N -0.470 119.668 120.200 -0.103 0.000 2.077 283 E HA -0.238 4.112 4.350 0.001 0.000 0.193 283 E C 1.863 178.579 176.600 0.193 0.000 0.989 283 E CA 1.387 57.918 56.400 0.218 0.000 0.800 283 E CB -0.307 29.515 29.700 0.203 0.000 0.746 283 E HN 0.791 nan 8.360 nan 0.000 0.452 284 Y N 1.144 121.462 120.300 0.031 0.000 2.145 284 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 284 Y C 2.214 178.191 175.900 0.130 0.000 1.145 284 Y CA 1.576 59.725 58.100 0.082 0.000 1.148 284 Y CB -0.338 38.136 38.460 0.023 0.000 0.981 284 Y HN 0.006 nan 8.280 nan 0.000 0.507 285 A N -0.513 122.381 122.820 0.124 0.000 1.930 285 A HA -0.171 4.149 4.320 0.001 0.000 0.217 285 A C 2.446 180.051 177.584 0.034 0.000 1.175 285 A CA 1.981 54.033 52.037 0.025 0.000 0.627 285 A CB -1.308 17.682 19.000 -0.016 0.000 0.815 285 A HN 0.597 nan 8.150 nan 0.000 0.443 286 S N 0.153 115.916 115.700 0.106 0.000 2.383 286 S HA -0.181 4.289 4.470 0.001 0.000 0.227 286 S C 1.432 176.064 174.600 0.053 0.000 1.026 286 S CA 1.423 59.709 58.200 0.143 0.000 0.981 286 S CB -0.472 62.926 63.200 0.330 0.000 0.818 286 S HN 0.506 nan 8.310 nan 0.000 0.472 287 D N 1.370 121.781 120.400 0.017 0.000 2.097 287 D HA 0.024 4.664 4.640 0.001 0.000 0.195 287 D C 0.796 176.993 176.300 -0.171 0.000 0.989 287 D CA 1.151 55.100 54.000 -0.084 0.000 0.827 287 D CB -0.613 40.105 40.800 -0.136 0.000 0.966 287 D HN 0.543 nan 8.370 nan 0.000 0.456 297 V N 3.779 123.656 119.914 -0.061 0.000 2.323 297 V HA -0.081 4.039 4.120 0.001 0.000 0.244 297 V C -0.983 175.036 176.094 -0.125 0.000 1.041 297 V CA 2.438 64.699 62.300 -0.066 0.000 1.025 297 V CB -1.739 30.060 31.823 -0.041 0.000 0.656 297 V HN 0.400 nan 8.190 nan 0.000 0.451 298 P HA -0.114 nan 4.420 nan 0.000 0.217 298 P C 1.543 178.715 177.300 -0.214 0.000 1.151 298 P CA 2.009 64.913 63.100 -0.328 0.000 0.828 298 P CB 0.013 31.243 31.700 -0.783 0.000 0.788 299 A N -0.205 122.524 122.820 -0.153 0.000 1.969 299 A HA -0.089 4.231 4.320 0.001 0.000 0.218 299 A C 2.309 179.862 177.584 -0.052 0.000 1.169 299 A CA 2.025 54.033 52.037 -0.049 0.000 0.635 299 A CB -1.732 17.256 19.000 -0.021 0.000 0.810 299 A HN 0.176 nan 8.150 nan 0.000 0.445 300 T N 0.093 114.600 114.554 -0.079 0.000 2.812 300 T HA 0.004 4.354 4.350 0.001 0.000 0.264 300 T C 1.779 176.430 174.700 -0.083 0.000 1.042 300 T CA 1.282 63.331 62.100 -0.085 0.000 1.140 300 T CB -0.325 68.492 68.868 -0.086 0.000 0.870 300 T HN 0.413 nan 8.240 nan 0.000 0.445 301 I N 0.880 121.399 120.570 -0.085 0.000 2.226 301 I HA -0.143 4.028 4.170 0.001 0.000 0.245 301 I C 2.292 178.381 176.117 -0.046 0.000 1.100 301 I CA 0.837 62.093 61.300 -0.073 0.000 1.374 301 I CB -0.322 37.619 38.000 -0.098 0.000 1.057 301 I HN 0.172 nan 8.210 nan 0.000 0.413 302 L N 1.176 122.364 121.223 -0.058 0.000 2.012 302 L HA -0.182 4.159 4.340 0.001 0.000 0.210 302 L C 2.556 179.409 176.870 -0.027 0.000 1.073 302 L CA 2.223 57.049 54.840 -0.024 0.000 0.748 302 L CB -0.769 41.260 42.059 -0.051 0.000 0.891 302 L HN 0.191 nan 8.230 nan 0.000 0.431 303 A N -0.512 122.263 122.820 -0.075 0.000 1.877 303 A HA -0.229 4.091 4.320 0.001 0.000 0.216 303 A C 2.440 179.943 177.584 -0.134 0.000 1.186 303 A CA 1.926 53.880 52.037 -0.139 0.000 0.620 303 A CB -0.714 18.166 19.000 -0.199 0.000 0.822 303 A HN 0.452 nan 8.150 nan 0.000 0.443 304 K N -0.611 119.733 120.400 -0.092 0.000 2.026 304 K HA -0.248 4.072 4.320 0.001 0.000 0.208 304 K C 1.976 178.562 176.600 -0.023 0.000 1.048 304 K CA 2.244 58.491 56.287 -0.067 0.000 0.929 304 K CB -0.593 31.882 32.500 -0.041 0.000 0.713 304 K HN 0.625 nan 8.250 nan 0.000 0.439 305 H N 1.104 120.119 119.070 -0.092 0.000 2.267 305 H HA -0.125 4.432 4.556 0.001 0.000 0.297 305 H C 2.014 177.293 175.328 -0.082 0.000 1.080 305 H CA 3.031 59.032 56.048 -0.079 0.000 1.278 305 H CB -0.473 29.246 29.762 -0.072 0.000 1.365 305 H HN 0.057 nan 8.280 nan 0.000 0.489 306 V N -1.182 118.625 119.914 -0.179 0.000 2.295 306 V HA -0.125 3.995 4.120 0.001 0.000 0.246 306 V C 2.578 178.551 176.094 -0.201 0.000 1.049 306 V CA 1.884 64.042 62.300 -0.237 0.000 1.024 306 V CB -1.684 30.050 31.823 -0.149 0.000 0.648 306 V HN 0.561 nan 8.190 nan 0.000 0.447 307 A N 0.763 123.481 122.820 -0.170 0.000 1.933 307 A HA 0.047 4.367 4.320 0.001 0.000 0.218 307 A C 2.478 179.985 177.584 -0.128 0.000 1.175 307 A CA 2.545 54.489 52.037 -0.156 0.000 0.628 307 A CB -1.053 17.840 19.000 -0.178 0.000 0.814 307 A HN 0.948 nan 8.150 nan 0.000 0.444 308 A N -0.320 122.424 122.820 -0.126 0.000 1.855 308 A HA -0.139 4.181 4.320 0.001 0.000 0.215 308 A C 1.966 179.477 177.584 -0.122 0.000 1.191 308 A CA 1.503 53.478 52.037 -0.103 0.000 0.613 308 A CB -0.539 18.413 19.000 -0.079 0.000 0.829 308 A HN 0.586 nan 8.150 nan 0.000 0.442 309 E N -0.633 119.454 120.200 -0.188 0.000 2.077 309 E HA -0.184 4.167 4.350 0.001 0.000 0.193 309 E C 2.278 178.802 176.600 -0.127 0.000 0.989 309 E CA 0.888 57.179 56.400 -0.182 0.000 0.800 309 E CB -0.159 29.366 29.700 -0.292 0.000 0.746 309 E HN 0.300 nan 8.360 nan 0.000 0.452 310 R N 0.338 120.759 120.500 -0.131 0.000 2.092 310 R HA -0.020 4.320 4.340 0.001 0.000 0.231 310 R C 2.138 178.402 176.300 -0.061 0.000 1.119 310 R CA 1.069 57.114 56.100 -0.092 0.000 0.970 310 R CB -0.845 29.392 30.300 -0.105 0.000 0.864 310 R HN 0.146 nan 8.270 nan 0.000 0.440 311 A N 1.162 123.943 122.820 -0.064 0.000 1.898 311 A HA -0.015 4.305 4.320 0.001 0.000 0.216 311 A C 2.371 179.944 177.584 -0.017 0.000 1.181 311 A CA 1.697 53.713 52.037 -0.035 0.000 0.620 311 A CB -0.541 18.437 19.000 -0.037 0.000 0.819 311 A HN 0.313 nan 8.150 nan 0.000 0.442 312 A N -0.141 122.657 122.820 -0.036 0.000 1.902 312 A HA 0.181 4.502 4.320 0.001 0.000 0.217 312 A C 2.489 180.079 177.584 0.011 0.000 1.181 312 A CA 2.045 54.064 52.037 -0.030 0.000 0.623 312 A CB -0.944 18.017 19.000 -0.065 0.000 0.818 312 A HN 0.999 nan 8.150 nan 0.000 0.443 313 A N -0.537 122.281 122.820 -0.004 0.000 1.898 313 A HA 0.187 4.507 4.320 0.001 0.000 0.216 313 A C 2.407 180.008 177.584 0.028 0.000 1.181 313 A CA 1.772 53.818 52.037 0.015 0.000 0.620 313 A CB -1.349 17.647 19.000 -0.006 0.000 0.819 313 A HN 0.705 nan 8.150 nan 0.000 0.442 314 G N -0.366 108.446 108.800 0.019 0.000 2.418 314 G HA2 -0.010 3.950 3.960 0.001 0.000 0.217 314 G HA3 -0.010 3.950 3.960 0.001 0.000 0.217 314 G C 1.728 176.653 174.900 0.042 0.000 1.158 314 G CA 1.455 46.572 45.100 0.028 0.000 0.771 314 G HN 0.778 nan 8.290 nan 0.000 0.545 315 A N 1.138 123.999 122.820 0.069 0.000 1.902 315 A HA 0.278 4.598 4.320 0.001 0.000 0.217 315 A C 2.806 180.463 177.584 0.121 0.000 1.181 315 A CA 2.215 54.321 52.037 0.114 0.000 0.623 315 A CB -0.739 18.361 19.000 0.167 0.000 0.818 315 A HN 0.776 nan 8.150 nan 0.000 0.443 316 A N -1.095 121.821 122.820 0.160 0.000 1.930 316 A HA -0.060 4.260 4.320 0.001 0.000 0.217 316 A C 2.288 179.822 177.584 -0.084 0.000 1.175 316 A CA 2.218 54.295 52.037 0.067 0.000 0.627 316 A CB -1.150 17.948 19.000 0.163 0.000 0.815 316 A HN 0.423 nan 8.150 nan 0.000 0.443 317 T N 0.188 114.702 114.554 -0.067 0.000 2.777 317 T HA 0.020 4.371 4.350 0.001 0.000 0.266 317 T C 2.230 176.828 174.700 -0.170 0.000 1.040 317 T CA 1.474 63.475 62.100 -0.166 0.000 1.141 317 T CB -0.387 68.436 68.868 -0.075 0.000 0.868 317 T HN 0.577 nan 8.240 nan 0.000 0.444 318 A N 1.418 124.194 122.820 -0.074 0.000 1.898 318 A HA 0.204 4.524 4.320 0.001 0.000 0.216 318 A C 2.631 180.149 177.584 -0.110 0.000 1.181 318 A CA 1.717 53.723 52.037 -0.050 0.000 0.620 318 A CB -1.046 17.958 19.000 0.006 0.000 0.819 318 A HN 0.493 nan 8.150 nan 0.000 0.442 319 A N -0.861 121.868 122.820 -0.152 0.000 1.933 319 A HA -0.197 4.123 4.320 0.001 0.000 0.218 319 A C 2.140 179.589 177.584 -0.225 0.000 1.175 319 A CA 2.109 54.007 52.037 -0.232 0.000 0.628 319 A CB -0.487 18.294 19.000 -0.365 0.000 0.814 319 A HN 0.555 nan 8.150 nan 0.000 0.444 320 Q N -0.091 119.579 119.800 -0.217 0.000 2.050 320 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 320 Q C 1.888 177.812 176.000 -0.126 0.000 0.980 320 Q CA 2.189 57.876 55.803 -0.193 0.000 0.840 320 Q CB -0.563 28.009 28.738 -0.276 0.000 0.898 320 Q HN 0.340 nan 8.270 nan 0.000 0.424 321 V N 0.209 120.056 119.914 -0.112 0.000 2.255 321 V HA -0.256 3.865 4.120 0.001 0.000 0.247 321 V C 2.173 178.294 176.094 0.046 0.000 1.051 321 V CA 1.709 64.022 62.300 0.022 0.000 1.018 321 V CB -0.581 31.277 31.823 0.059 0.000 0.641 321 V HN 0.321 nan 8.190 nan 0.000 0.445 322 L N -0.587 120.552 121.223 -0.139 0.000 2.201 322 L HA 0.126 4.466 4.340 0.001 0.000 0.212 322 L C 1.642 178.324 176.870 -0.314 0.000 1.105 322 L CA 1.440 56.008 54.840 -0.452 0.000 0.775 322 L CB -0.976 40.781 42.059 -0.503 0.000 0.913 322 L HN 0.442 nan 8.230 nan 0.000 0.440 323 A N -0.535 122.181 122.820 -0.173 0.000 5.483 323 A HA -0.461 3.859 4.320 0.001 0.000 0.309 323 A C 1.939 179.436 177.584 -0.146 0.000 1.898 323 A CA 2.358 54.326 52.037 -0.115 0.000 0.716 323 A CB -2.193 16.797 19.000 -0.016 0.000 1.309 323 A HN 0.551 nan 8.150 nan 0.000 0.380 324 S N -0.081 115.567 115.700 -0.086 0.000 2.419 324 S HA 0.086 4.557 4.470 0.001 0.000 0.235 324 S C 1.987 176.518 174.600 -0.115 0.000 1.019 324 S CA 2.106 60.257 58.200 -0.082 0.000 0.982 324 S CB -0.977 62.201 63.200 -0.036 0.000 0.789 324 S HN 2.265 nan 8.310 nan 0.000 0.490 325 A N 1.305 124.035 122.820 -0.150 0.000 2.015 325 A HA 0.314 4.635 4.320 0.001 0.000 0.219 325 A C 2.189 179.564 177.584 -0.348 0.000 1.163 325 A CA 1.204 53.130 52.037 -0.184 0.000 0.646 325 A CB -1.207 17.670 19.000 -0.205 0.000 0.806 325 A HN 0.697 nan 8.150 nan 0.000 0.448 326 G N -1.360 107.145 108.800 -0.493 0.000 3.088 326 G HA2 0.452 4.412 3.960 0.001 0.000 0.217 326 G HA3 0.452 4.412 3.960 0.001 0.000 0.217 326 G C 0.646 175.294 174.900 -0.420 0.000 1.159 326 G CA 0.678 45.298 45.100 -0.800 0.000 0.760 326 G HN 0.721 nan 8.290 nan 0.000 0.550 331 H N 0.635 119.700 119.070 -0.008 0.000 3.193 331 H HA 0.100 4.656 4.556 0.001 0.000 0.306 331 H C 2.173 177.499 175.328 -0.003 0.000 0.960 331 H CA 1.197 57.236 56.048 -0.014 0.000 1.375 331 H CB 1.060 30.806 29.762 -0.027 0.000 1.321 331 H HN 0.638 nan 8.280 nan 0.000 0.578 332 V N 2.626 122.457 119.914 -0.138 0.000 2.324 332 V HA -0.275 3.845 4.120 0.001 0.000 0.250 332 V C 2.012 178.188 176.094 0.137 0.000 1.060 332 V CA 1.916 64.211 62.300 -0.009 0.000 1.042 332 V CB -1.053 30.729 31.823 -0.068 0.000 0.650 332 V HN 0.589 nan 8.190 nan 0.000 0.450 333 V N 1.026 121.141 119.914 0.335 0.000 2.453 333 V HA -0.178 3.943 4.120 0.001 0.000 0.247 333 V C 2.732 178.911 176.094 0.141 0.000 1.048 333 V CA 2.117 64.536 62.300 0.199 0.000 1.049 333 V CB -0.592 31.298 31.823 0.112 0.000 0.672 333 V HN 0.760 nan 8.190 nan 0.000 0.457 334 E N 1.235 121.533 120.200 0.163 0.000 2.038 334 E HA -0.246 4.104 4.350 0.001 0.000 0.195 334 E C 2.266 178.962 176.600 0.160 0.000 1.000 334 E CA 1.800 58.276 56.400 0.127 0.000 0.803 334 E CB -0.330 29.450 29.700 0.133 0.000 0.750 334 E HN 0.505 nan 8.360 nan 0.000 0.448 335 R N -0.013 120.569 120.500 0.137 0.000 2.092 335 R HA 0.060 4.400 4.340 0.001 0.000 0.231 335 R C 2.480 178.846 176.300 0.111 0.000 1.119 335 R CA 1.036 57.205 56.100 0.115 0.000 0.970 335 R CB -0.448 29.906 30.300 0.090 0.000 0.864 335 R HN 0.302 nan 8.270 nan 0.000 0.440 336 A N 0.713 123.602 122.820 0.115 0.000 1.908 336 A HA -0.239 4.081 4.320 0.001 0.000 0.218 336 A C 1.959 179.617 177.584 0.123 0.000 1.181 336 A CA 1.266 53.364 52.037 0.100 0.000 0.627 336 A CB -0.736 18.322 19.000 0.096 0.000 0.818 336 A HN 0.407 nan 8.150 nan 0.000 0.445 337 Y N 0.519 120.827 120.300 0.014 0.000 2.097 337 Y HA -0.221 4.330 4.550 0.001 0.000 0.282 337 Y C 2.540 178.442 175.900 0.003 0.000 1.152 337 Y CA 2.191 60.292 58.100 0.001 0.000 1.136 337 Y CB -0.361 38.096 38.460 -0.005 0.000 0.975 337 Y HN 0.265 nan 8.280 nan 0.000 0.498 338 R N -0.277 120.224 120.500 0.001 0.000 2.090 338 R HA -0.115 4.225 4.340 0.001 0.000 0.228 338 R C 1.787 178.050 176.300 -0.061 0.000 1.110 338 R CA 1.353 57.405 56.100 -0.081 0.000 0.973 338 R CB -0.256 30.058 30.300 0.025 0.000 0.869 338 R HN 0.372 nan 8.270 nan 0.000 0.440 339 D N 0.708 121.108 120.400 -0.001 0.000 2.117 339 D HA -0.099 4.542 4.640 0.001 0.000 0.198 339 D C 1.793 178.079 176.300 -0.024 0.000 0.982 339 D CA 1.435 55.441 54.000 0.010 0.000 0.828 339 D CB -0.260 40.568 40.800 0.045 0.000 0.967 339 D HN 0.200 nan 8.370 nan 0.000 0.464 340 A N 0.860 123.660 122.820 -0.034 0.000 1.933 340 A HA -0.200 4.121 4.320 0.001 0.000 0.218 340 A C 2.065 179.594 177.584 -0.091 0.000 1.175 340 A CA 1.851 53.859 52.037 -0.049 0.000 0.628 340 A CB -0.386 18.596 19.000 -0.031 0.000 0.814 340 A HN 0.094 nan 8.150 nan 0.000 0.444 341 K N -0.398 119.915 120.400 -0.145 0.000 2.063 341 K HA -0.104 4.216 4.320 0.001 0.000 0.208 341 K C 1.584 178.103 176.600 -0.134 0.000 1.048 341 K CA 1.388 57.573 56.287 -0.171 0.000 0.928 341 K CB -0.571 31.779 32.500 -0.249 0.000 0.713 341 K HN 0.272 nan 8.250 nan 0.000 0.442 342 L N 0.393 121.542 121.223 -0.123 0.000 2.083 342 L HA -0.066 4.274 4.340 0.001 0.000 0.209 342 L C 2.116 178.924 176.870 -0.104 0.000 1.083 342 L CA 1.523 56.283 54.840 -0.132 0.000 0.752 342 L CB -0.617 41.370 42.059 -0.121 0.000 0.899 342 L HN 0.284 nan 8.230 nan 0.000 0.433 343 M N -1.220 118.338 119.600 -0.069 0.000 2.279 343 M HA -0.172 4.308 4.480 0.001 0.000 0.264 343 M C 1.984 178.252 176.300 -0.052 0.000 1.062 343 M CA 1.208 56.480 55.300 -0.047 0.000 1.099 343 M CB -1.027 31.553 32.600 -0.033 0.000 1.394 343 M HN 0.334 nan 8.290 nan 0.000 0.426 344 E N -0.086 120.074 120.200 -0.067 0.000 2.347 344 E HA -0.052 4.299 4.350 0.001 0.000 0.196 344 E C 1.900 178.471 176.600 -0.049 0.000 1.008 344 E CA 0.660 57.028 56.400 -0.055 0.000 0.852 344 E CB 0.071 29.730 29.700 -0.068 0.000 0.783 344 E HN 0.502 nan 8.360 nan 0.000 0.505 345 I N 0.868 121.391 120.570 -0.079 0.000 2.927 345 I HA 0.030 4.200 4.170 0.001 0.000 0.268 345 I C 1.451 177.516 176.117 -0.087 0.000 1.153 345 I CA -0.014 61.229 61.300 -0.096 0.000 1.459 345 I CB 0.203 38.112 38.000 -0.152 0.000 1.149 345 I HN 0.044 nan 8.210 nan 0.000 0.443 346 I N -1.343 119.178 120.570 -0.082 0.000 2.970 346 I HA 0.227 4.397 4.170 0.001 0.000 0.310 346 I C 0.137 176.257 176.117 0.004 0.000 1.010 346 I CA -0.506 60.766 61.300 -0.046 0.000 1.228 346 I CB 0.709 38.680 38.000 -0.048 0.000 1.433 346 I HN 0.143 nan 8.210 nan 0.000 0.573 347 E N 2.187 122.419 120.200 0.052 0.000 2.360 347 E HA -0.197 4.153 4.350 0.001 0.000 0.238 347 E C 0.328 176.939 176.600 0.017 0.000 1.186 347 E CA 1.175 57.612 56.400 0.062 0.000 0.719 347 E CB -2.010 27.724 29.700 0.056 0.000 1.236 347 E HN 1.416 nan 8.360 nan 0.000 0.386 348 G N 0.422 109.227 108.800 0.009 0.000 3.081 348 G HA2 -0.147 3.813 3.960 0.001 0.000 0.603 348 G HA3 -0.147 3.813 3.960 0.001 0.000 0.603 348 G C 0.275 175.167 174.900 -0.013 0.000 1.106 348 G CA 0.331 45.421 45.100 -0.016 0.000 1.001 348 G HN 0.925 nan 8.290 nan 0.000 0.445 349 S N 1.365 117.054 115.700 -0.019 0.000 2.572 349 S HA 0.443 4.914 4.470 0.001 0.000 0.267 349 S C 1.883 176.488 174.600 0.009 0.000 1.361 349 S CA 0.736 58.927 58.200 -0.015 0.000 1.009 349 S CB 1.320 64.501 63.200 -0.030 0.000 0.888 349 S HN 1.408 nan 8.310 nan 0.000 0.553 350 S N 1.582 117.314 115.700 0.054 0.000 2.387 350 S HA -0.158 4.312 4.470 0.001 0.000 0.230 350 S C 1.767 176.383 174.600 0.027 0.000 1.035 350 S CA 1.897 60.190 58.200 0.155 0.000 1.014 350 S CB -0.694 62.599 63.200 0.154 0.000 0.836 350 S HN 0.832 nan 8.310 nan 0.000 0.466 351 E N 0.928 121.126 120.200 -0.004 0.000 2.047 351 E HA -0.009 4.342 4.350 0.001 0.000 0.191 351 E C 2.104 178.664 176.600 -0.067 0.000 0.987 351 E CA 0.921 57.301 56.400 -0.033 0.000 0.799 351 E CB -0.243 29.442 29.700 -0.025 0.000 0.752 351 E HN 0.320 nan 8.360 nan 0.000 0.449 352 M N -0.212 119.349 119.600 -0.064 0.000 2.175 352 M HA -0.109 4.371 4.480 0.001 0.000 0.264 352 M C 2.251 178.481 176.300 -0.117 0.000 1.063 352 M CA 0.921 56.177 55.300 -0.073 0.000 1.119 352 M CB -1.073 31.494 32.600 -0.055 0.000 1.377 352 M HN 0.237 nan 8.290 nan 0.000 0.415 353 C N -0.236 118.962 119.300 -0.170 0.000 2.440 353 C HA -0.106 4.354 4.460 0.001 0.000 0.278 353 C C 2.851 177.619 174.990 -0.370 0.000 1.295 353 C CA 0.639 59.482 59.018 -0.292 0.000 1.738 353 C CB -0.875 26.607 27.740 -0.429 0.000 1.987 353 C HN 0.519 nan 8.230 nan 0.000 0.492 354 R N 0.795 121.082 120.500 -0.355 0.000 2.075 354 R HA -0.111 4.230 4.340 0.001 0.000 0.232 354 R C 2.257 178.478 176.300 -0.132 0.000 1.126 354 R CA 1.824 57.779 56.100 -0.242 0.000 0.963 354 R CB -0.568 29.648 30.300 -0.140 0.000 0.858 354 R HN 0.622 nan 8.270 nan 0.000 0.435 355 V N -1.235 118.617 119.914 -0.103 0.000 2.427 355 V HA -0.203 3.917 4.120 0.001 0.000 0.248 355 V C 2.055 178.115 176.094 -0.057 0.000 1.051 355 V CA 1.627 63.889 62.300 -0.065 0.000 1.048 355 V CB -0.512 31.281 31.823 -0.051 0.000 0.666 355 V HN 0.200 nan 8.190 nan 0.000 0.456 356 M N -0.210 119.346 119.600 -0.074 0.000 2.132 356 M HA 0.020 4.500 4.480 0.001 0.000 0.263 356 M C 2.284 178.567 176.300 -0.028 0.000 1.065 356 M CA 1.910 57.179 55.300 -0.052 0.000 1.122 356 M CB -0.443 32.115 32.600 -0.070 0.000 1.365 356 M HN 0.321 nan 8.290 nan 0.000 0.411 357 L N -0.193 120.992 121.223 -0.063 0.000 2.141 357 L HA -0.113 4.227 4.340 0.001 0.000 0.209 357 L C 2.817 179.703 176.870 0.026 0.000 1.094 357 L CA 0.803 55.634 54.840 -0.015 0.000 0.763 357 L CB -0.808 41.208 42.059 -0.072 0.000 0.908 357 L HN 0.281 nan 8.230 nan 0.000 0.437 358 A N -0.277 122.534 122.820 -0.015 0.000 1.898 358 A HA -0.231 4.089 4.320 0.001 0.000 0.216 358 A C 2.231 179.814 177.584 -0.003 0.000 1.181 358 A CA 1.391 53.420 52.037 -0.013 0.000 0.620 358 A CB -0.405 18.579 19.000 -0.027 0.000 0.819 358 A HN 0.446 nan 8.150 nan 0.000 0.442 359 Q N -1.589 118.214 119.800 0.005 0.000 2.124 359 Q HA -0.235 4.105 4.340 0.001 0.000 0.202 359 Q C 2.068 178.082 176.000 0.024 0.000 0.977 359 Q CA 1.765 57.573 55.803 0.008 0.000 0.850 359 Q CB -0.336 28.408 28.738 0.009 0.000 0.901 359 Q HN 0.924 nan 8.270 nan 0.000 0.429 360 H N 0.464 119.513 119.070 -0.035 0.000 2.293 360 H HA -0.055 4.502 4.556 0.001 0.000 0.300 360 H C 1.886 177.198 175.328 -0.026 0.000 1.082 360 H CA 1.905 57.935 56.048 -0.029 0.000 1.308 360 H CB -0.178 29.564 29.762 -0.034 0.000 1.375 360 H HN 0.236 nan 8.280 nan 0.000 0.495 361 A N 0.577 123.332 122.820 -0.109 0.000 1.933 361 A HA -0.079 4.241 4.320 0.001 0.000 0.218 361 A C 2.371 179.876 177.584 -0.132 0.000 1.175 361 A CA 1.473 53.423 52.037 -0.145 0.000 0.628 361 A CB -0.876 18.099 19.000 -0.040 0.000 0.814 361 A HN 0.487 nan 8.150 nan 0.000 0.444 362 L N -1.030 120.142 121.223 -0.086 0.000 2.622 362 L HA -0.025 4.316 4.340 0.001 0.000 0.233 362 L C 2.056 178.881 176.870 -0.076 0.000 1.156 362 L CA 0.540 55.341 54.840 -0.065 0.000 0.866 362 L CB -0.135 41.899 42.059 -0.041 0.000 0.980 362 L HN 0.435 nan 8.230 nan 0.000 0.448 363 A N -1.024 121.726 122.820 -0.117 0.000 2.503 363 A HA 0.356 4.676 4.320 0.001 0.000 0.263 363 A C 0.166 177.670 177.584 -0.133 0.000 1.258 363 A CA -0.249 51.725 52.037 -0.105 0.000 0.936 363 A CB 0.251 19.199 19.000 -0.088 0.000 1.070 363 A HN 0.099 nan 8.150 nan 0.000 0.522 364 L N 1.737 122.865 121.223 -0.159 0.000 2.343 364 L HA 0.482 4.822 4.340 0.001 0.000 0.275 364 L C -1.232 175.591 176.870 -0.078 0.000 1.056 364 L CA -1.654 53.102 54.840 -0.140 0.000 0.804 364 L CB 0.202 42.157 42.059 -0.172 0.000 1.203 364 L HN 0.292 nan 8.230 nan 0.000 0.440 365 P HA 0.000 nan 4.420 nan 0.000 0.216 365 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 365 P CB 0.000 31.686 31.700 -0.024 0.000 0.726