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 2wgf_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.582 174.600 -0.030 0.000 1.055 2 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 2 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 3 Q N 3.894 123.681 119.800 -0.022 0.000 2.332 3 Q HA 0.299 4.641 4.340 0.003 0.000 0.263 3 Q C -2.158 173.807 176.000 -0.058 0.000 0.979 3 Q CA -1.403 54.383 55.803 -0.028 0.000 0.885 3 Q CB 0.082 28.823 28.738 0.006 0.000 1.218 3 Q HN 0.527 nan 8.270 nan 0.000 0.405 4 P HA 0.007 nan 4.420 nan 0.000 0.269 4 P C -0.630 176.572 177.300 -0.164 0.000 1.209 4 P CA 0.131 63.067 63.100 -0.274 0.000 0.776 4 P CB 0.783 32.129 31.700 -0.591 0.000 0.876 5 S N -0.511 115.140 115.700 -0.081 0.000 2.625 5 S HA 0.326 4.797 4.470 0.003 0.000 0.271 5 S C 0.926 175.709 174.600 0.305 0.000 1.161 5 S CA -0.526 57.814 58.200 0.233 0.000 0.820 5 S CB 0.829 64.119 63.200 0.150 0.000 1.137 5 S HN 0.310 nan 8.310 nan 0.000 0.470 6 T N 1.498 116.319 114.554 0.445 0.000 2.788 6 T HA -0.025 4.327 4.350 0.003 0.000 0.268 6 T C 2.127 176.933 174.700 0.177 0.000 1.044 6 T CA 1.828 64.129 62.100 0.335 0.000 1.139 6 T CB -0.844 68.192 68.868 0.279 0.000 0.867 6 T HN 0.885 nan 8.240 nan 0.000 0.454 7 A N 3.048 125.942 122.820 0.124 0.000 1.902 7 A HA -0.121 4.201 4.320 0.003 0.000 0.217 7 A C 1.894 179.511 177.584 0.055 0.000 1.181 7 A CA 1.692 53.772 52.037 0.072 0.000 0.623 7 A CB -0.579 18.441 19.000 0.033 0.000 0.818 7 A HN 0.647 nan 8.150 nan 0.000 0.443 8 N N -0.928 117.799 118.700 0.044 0.000 2.322 8 N HA 0.287 5.029 4.740 0.003 0.000 0.216 8 N C 0.884 176.400 175.510 0.011 0.000 1.144 8 N CA 0.858 53.919 53.050 0.019 0.000 0.830 8 N CB -0.383 38.105 38.487 0.001 0.000 1.034 8 N HN 0.733 nan 8.380 nan 0.000 0.484 9 G N -1.386 107.435 108.800 0.034 0.000 2.189 9 G HA2 -0.314 3.648 3.960 0.003 0.000 0.267 9 G HA3 -0.314 3.648 3.960 0.003 0.000 0.267 9 G C 1.065 175.958 174.900 -0.012 0.000 0.975 9 G CA 0.413 45.530 45.100 0.028 0.000 0.644 9 G HN 0.678 nan 8.290 nan 0.000 0.537 10 G N -0.283 108.477 108.800 -0.066 0.000 2.446 10 G HA2 0.179 4.141 3.960 0.003 0.000 0.217 10 G HA3 0.179 4.141 3.960 0.003 0.000 0.217 10 G C 0.643 175.357 174.900 -0.310 0.000 1.168 10 G CA 1.061 46.022 45.100 -0.232 0.000 0.771 10 G HN 0.477 nan 8.290 nan 0.000 0.551 11 F N 0.986 120.953 119.950 0.028 0.000 2.432 11 F HA 0.508 5.037 4.527 0.003 0.000 0.329 11 F C -1.934 173.875 175.800 0.015 0.000 1.076 11 F CA -2.763 55.240 58.000 0.005 0.000 1.018 11 F CB 1.400 40.431 39.000 0.052 0.000 1.201 11 F HN -0.153 nan 8.300 nan 0.000 0.489 12 P HA 0.086 nan 4.420 nan 0.000 0.272 12 P C -0.618 176.772 177.300 0.149 0.000 1.223 12 P CA -0.390 62.783 63.100 0.121 0.000 0.784 12 P CB 0.749 32.487 31.700 0.063 0.000 0.923 13 S N 0.950 116.730 115.700 0.134 0.000 2.533 13 S HA 0.255 4.727 4.470 0.003 0.000 0.282 13 S C -0.311 174.375 174.600 0.143 0.000 1.304 13 S CA -0.310 57.980 58.200 0.151 0.000 1.063 13 S CB -0.344 62.939 63.200 0.139 0.000 0.881 13 S HN 0.163 nan 8.310 nan 0.000 0.493 14 V N 6.167 126.184 119.914 0.171 0.000 2.540 14 V HA 0.602 4.724 4.120 0.003 0.000 0.302 14 V C -0.228 175.961 176.094 0.157 0.000 1.035 14 V CA -0.704 61.691 62.300 0.158 0.000 0.873 14 V CB 1.692 33.644 31.823 0.215 0.000 0.992 14 V HN 0.770 nan 8.190 nan 0.000 0.428 15 V N 2.593 122.585 119.914 0.129 0.000 2.914 15 V HA 0.744 4.866 4.120 0.003 0.000 0.314 15 V C -0.392 175.754 176.094 0.086 0.000 1.084 15 V CA -0.959 61.412 62.300 0.117 0.000 0.963 15 V CB 1.887 33.761 31.823 0.084 0.000 1.025 15 V HN 0.460 nan 8.190 nan 0.000 0.432 16 V N 3.161 123.129 119.914 0.089 0.000 2.461 16 V HA 0.401 4.523 4.120 0.003 0.000 0.275 16 V C 1.341 177.429 176.094 -0.010 0.000 1.047 16 V CA 0.694 63.035 62.300 0.068 0.000 0.955 16 V CB 0.852 32.743 31.823 0.113 0.000 0.988 16 V HN 1.198 nan 8.190 nan 0.000 0.471 17 T N 0.605 115.143 114.554 -0.027 0.000 2.975 17 T HA 0.633 4.985 4.350 0.003 0.000 0.257 17 T C 0.308 174.960 174.700 -0.081 0.000 1.003 17 T CA 0.477 62.531 62.100 -0.077 0.000 0.932 17 T CB 0.619 69.437 68.868 -0.084 0.000 1.087 17 T HN 1.047 nan 8.240 nan 0.000 0.512 18 A N 0.889 123.678 122.820 -0.053 0.000 2.605 18 A HA 0.755 5.077 4.320 0.003 0.000 0.294 18 A C -1.104 176.464 177.584 -0.027 0.000 1.062 18 A CA -0.475 51.530 52.037 -0.053 0.000 0.682 18 A CB 1.584 20.546 19.000 -0.064 0.000 1.278 18 A HN 1.128 nan 8.150 nan 0.000 0.410 19 V N -1.726 118.165 119.914 -0.038 0.000 3.078 19 V HA 1.003 5.124 4.120 0.003 0.000 0.311 19 V C -0.601 175.481 176.094 -0.021 0.000 1.138 19 V CA -0.237 62.044 62.300 -0.032 0.000 1.007 19 V CB 1.553 33.331 31.823 -0.075 0.000 1.045 19 V HN 1.491 nan 8.190 nan 0.000 0.432 20 T N 1.680 116.230 114.554 -0.007 0.000 3.097 20 T HA 0.849 5.201 4.350 0.003 0.000 0.332 20 T C -0.921 173.781 174.700 0.004 0.000 1.269 20 T CA 0.353 62.454 62.100 0.001 0.000 1.076 20 T CB 1.358 70.237 68.868 0.017 0.000 1.209 20 T HN 2.052 nan 8.240 nan 0.000 0.474 21 A N 2.121 124.945 122.820 0.006 0.000 2.574 21 A HA 0.794 5.116 4.320 0.003 0.000 0.297 21 A C -0.700 176.899 177.584 0.025 0.000 1.062 21 A CA -0.672 51.374 52.037 0.016 0.000 0.686 21 A CB 2.132 21.143 19.000 0.017 0.000 1.285 21 A HN 0.689 nan 8.150 nan 0.000 0.403 22 T N 1.274 115.848 114.554 0.033 0.000 2.812 22 T HA 0.717 5.069 4.350 0.003 0.000 0.282 22 T C -0.043 174.699 174.700 0.071 0.000 0.990 22 T CA 0.443 62.572 62.100 0.048 0.000 0.960 22 T CB 0.519 69.409 68.868 0.038 0.000 0.948 22 T HN 1.528 nan 8.240 nan 0.000 0.438 23 T N 0.614 115.218 114.554 0.083 0.000 2.888 23 T HA 0.460 4.812 4.350 0.003 0.000 0.288 23 T C 1.539 176.307 174.700 0.113 0.000 1.063 23 T CA -0.097 62.059 62.100 0.093 0.000 1.010 23 T CB 1.164 70.085 68.868 0.089 0.000 1.214 23 T HN 0.473 nan 8.240 nan 0.000 0.533 24 S N -0.269 115.502 115.700 0.118 0.000 2.474 24 S HA 0.028 4.500 4.470 0.003 0.000 0.235 24 S C 1.681 176.362 174.600 0.136 0.000 0.997 24 S CA 0.301 58.588 58.200 0.145 0.000 0.949 24 S CB -0.841 62.439 63.200 0.134 0.000 0.766 24 S HN 0.634 nan 8.310 nan 0.000 0.517 25 I N 0.032 120.668 120.570 0.110 0.000 2.731 25 I HA 0.173 4.345 4.170 0.003 0.000 0.260 25 I C 1.012 177.182 176.117 0.090 0.000 1.138 25 I CA 0.403 61.760 61.300 0.096 0.000 1.461 25 I CB 0.383 38.435 38.000 0.086 0.000 1.128 25 I HN 0.305 nan 8.210 nan 0.000 0.438 26 S N -0.998 114.757 115.700 0.091 0.000 2.565 26 S HA 0.290 4.762 4.470 0.003 0.000 0.274 26 S C -2.301 172.348 174.600 0.081 0.000 1.144 26 S CA -0.842 57.408 58.200 0.084 0.000 0.849 26 S CB 1.700 64.947 63.200 0.077 0.000 1.103 26 S HN -0.188 nan 8.310 nan 0.000 0.455 27 P HA 0.095 nan 4.420 nan 0.000 0.237 27 P C -0.298 177.028 177.300 0.043 0.000 1.178 27 P CA 0.662 63.799 63.100 0.062 0.000 0.766 27 P CB -0.117 31.628 31.700 0.076 0.000 0.876 28 D N -0.047 120.384 120.400 0.053 0.000 2.391 28 D HA 0.112 4.754 4.640 0.003 0.000 0.245 28 D C 0.906 177.241 176.300 0.058 0.000 1.069 28 D CA -0.781 53.246 54.000 0.046 0.000 0.831 28 D CB 1.271 42.100 40.800 0.048 0.000 1.204 28 D HN -0.270 nan 8.370 nan 0.000 0.503 29 I N 3.658 124.254 120.570 0.044 0.000 2.335 29 I HA -0.177 3.995 4.170 0.003 0.000 0.251 29 I C 1.542 177.714 176.117 0.091 0.000 1.129 29 I CA 1.658 62.987 61.300 0.050 0.000 1.402 29 I CB 0.046 38.046 38.000 -0.000 0.000 1.069 29 I HN 0.389 nan 8.210 nan 0.000 0.424 30 E N 0.322 120.570 120.200 0.081 0.000 2.107 30 E HA -0.100 4.252 4.350 0.003 0.000 0.191 30 E C 2.338 179.039 176.600 0.168 0.000 0.982 30 E CA 1.403 57.881 56.400 0.129 0.000 0.809 30 E CB -0.429 29.320 29.700 0.083 0.000 0.756 30 E HN 0.510 nan 8.360 nan 0.000 0.459 31 S N 0.473 116.242 115.700 0.115 0.000 2.402 31 S HA -0.080 4.392 4.470 0.003 0.000 0.229 31 S C 2.088 176.753 174.600 0.107 0.000 1.021 31 S CA 1.256 59.514 58.200 0.096 0.000 0.974 31 S CB -0.263 62.981 63.200 0.072 0.000 0.800 31 S HN 0.244 nan 8.310 nan 0.000 0.484 32 T N 1.211 115.844 114.554 0.131 0.000 2.777 32 T HA -0.104 4.248 4.350 0.003 0.000 0.266 32 T C 1.292 176.110 174.700 0.197 0.000 1.040 32 T CA 0.875 63.060 62.100 0.142 0.000 1.141 32 T CB -0.259 68.695 68.868 0.142 0.000 0.868 32 T HN 0.605 nan 8.240 nan 0.000 0.444 33 W N 1.997 123.299 121.300 0.003 0.000 2.333 33 W HA -0.186 4.476 4.660 0.003 0.000 0.316 33 W C 1.937 178.444 176.519 -0.019 0.000 1.215 33 W CA 1.193 58.529 57.345 -0.015 0.000 1.278 33 W CB -0.088 29.358 29.460 -0.023 0.000 1.154 33 W HN 0.235 nan 8.180 nan 0.000 0.486 34 K N -0.223 120.169 120.400 -0.012 0.000 2.148 34 K HA -0.089 4.233 4.320 0.003 0.000 0.204 34 K C 2.283 178.814 176.600 -0.115 0.000 1.050 34 K CA 1.336 57.543 56.287 -0.134 0.000 0.942 34 K CB -0.858 31.631 32.500 -0.017 0.000 0.724 34 K HN 0.228 nan 8.250 nan 0.000 0.446 35 G N 1.321 110.100 108.800 -0.036 0.000 2.402 35 G HA2 -0.210 3.752 3.960 0.003 0.000 0.216 35 G HA3 -0.210 3.752 3.960 0.003 0.000 0.216 35 G C 1.449 176.319 174.900 -0.050 0.000 1.162 35 G CA 0.478 45.565 45.100 -0.020 0.000 0.777 35 G HN 0.094 nan 8.290 nan 0.000 0.539 36 L N -0.159 121.022 121.223 -0.070 0.000 2.131 36 L HA 0.052 4.394 4.340 0.003 0.000 0.210 36 L C 2.729 179.468 176.870 -0.218 0.000 1.092 36 L CA 0.475 55.259 54.840 -0.093 0.000 0.759 36 L CB -0.228 41.802 42.059 -0.048 0.000 0.903 36 L HN 0.191 nan 8.230 nan 0.000 0.435 37 L N -0.718 120.293 121.223 -0.353 0.000 2.395 37 L HA -0.032 4.310 4.340 0.003 0.000 0.218 37 L C 2.311 179.058 176.870 -0.205 0.000 1.130 37 L CA 0.455 55.064 54.840 -0.384 0.000 0.826 37 L CB -0.367 41.378 42.059 -0.524 0.000 0.941 37 L HN 0.174 nan 8.230 nan 0.000 0.451 38 A N -0.452 122.285 122.820 -0.139 0.000 2.275 38 A HA 0.369 4.691 4.320 0.003 0.000 0.212 38 A C 1.591 179.146 177.584 -0.049 0.000 1.201 38 A CA 0.555 52.546 52.037 -0.076 0.000 0.843 38 A CB -0.303 18.667 19.000 -0.051 0.000 0.873 38 A HN 0.440 nan 8.150 nan 0.000 0.492 39 G N -0.027 108.740 108.800 -0.055 0.000 2.160 39 G HA2 -0.226 3.736 3.960 0.003 0.000 0.244 39 G HA3 -0.226 3.736 3.960 0.003 0.000 0.244 39 G C -0.229 174.672 174.900 0.002 0.000 1.022 39 G CA 0.317 45.405 45.100 -0.020 0.000 0.741 39 G HN 0.660 nan 8.290 nan 0.000 0.508 40 E N -0.004 120.196 120.200 0.001 0.000 2.349 40 E HA 0.575 4.927 4.350 0.003 0.000 0.262 40 E C 0.170 176.791 176.600 0.035 0.000 1.088 40 E CA 0.042 56.453 56.400 0.019 0.000 0.899 40 E CB 1.425 31.136 29.700 0.020 0.000 1.044 40 E HN 0.182 nan 8.360 nan 0.000 0.420 41 S N -0.127 115.598 115.700 0.043 0.000 2.513 41 S HA 0.476 4.948 4.470 0.003 0.000 0.299 41 S C 0.559 175.197 174.600 0.064 0.000 1.087 41 S CA -0.453 57.776 58.200 0.048 0.000 1.012 41 S CB 1.440 64.664 63.200 0.040 0.000 1.044 41 S HN 0.615 nan 8.310 nan 0.000 0.485 42 G N 2.983 111.822 108.800 0.065 0.000 2.777 42 G HA2 0.159 4.121 3.960 0.003 0.000 0.211 42 G HA3 0.159 4.121 3.960 0.003 0.000 0.211 42 G C 0.325 175.276 174.900 0.085 0.000 1.149 42 G CA 0.017 45.173 45.100 0.093 0.000 0.785 42 G HN 0.620 nan 8.290 nan 0.000 0.536 43 I N 2.598 123.184 120.570 0.026 0.000 2.452 43 I HA 0.293 4.465 4.170 0.003 0.000 0.287 43 I C 0.452 176.564 176.117 -0.008 0.000 1.079 43 I CA -0.859 60.405 61.300 -0.061 0.000 1.387 43 I CB -0.279 37.693 38.000 -0.046 0.000 1.404 43 I HN 0.378 nan 8.210 nan 0.000 0.522 44 H N 3.843 122.921 119.070 0.014 0.000 3.024 44 H HA 0.877 5.435 4.556 0.002 0.000 0.305 44 H C -0.471 174.861 175.328 0.006 0.000 1.506 44 H CA -1.213 54.845 56.048 0.016 0.000 1.324 44 H CB 0.646 30.427 29.762 0.032 0.000 1.925 44 H HN 0.576 nan 8.280 nan 0.000 0.661 45 A N 1.075 124.038 122.820 0.238 0.000 2.363 45 A HA 0.363 4.685 4.320 0.003 0.000 0.270 45 A C -0.084 177.640 177.584 0.233 0.000 1.121 45 A CA -0.718 51.406 52.037 0.146 0.000 0.800 45 A CB -0.272 18.785 19.000 0.095 0.000 1.052 45 A HN 0.605 nan 8.150 nan 0.000 0.493 46 L N 2.439 123.719 121.223 0.095 0.000 2.462 46 L HA 0.121 4.462 4.340 0.003 0.000 0.272 46 L C 0.692 177.594 176.870 0.053 0.000 1.166 46 L CA 0.044 54.934 54.840 0.084 0.000 0.880 46 L CB 0.530 42.591 42.059 0.004 0.000 1.142 46 L HN 0.795 nan 8.230 nan 0.000 0.473 47 E N 1.105 121.350 120.200 0.076 0.000 2.526 47 E HA 0.079 4.430 4.350 0.003 0.000 0.208 47 E C -0.466 176.082 176.600 -0.087 0.000 0.997 47 E CA -0.035 56.364 56.400 -0.002 0.000 0.961 47 E CB 0.378 30.087 29.700 0.015 0.000 1.030 47 E HN 0.670 nan 8.360 nan 0.000 0.483 48 D N 1.346 121.635 120.400 -0.185 0.000 2.425 48 D HA -0.001 4.641 4.640 0.003 0.000 0.247 48 D C 0.977 177.013 176.300 -0.439 0.000 1.147 48 D CA 0.093 53.870 54.000 -0.372 0.000 0.879 48 D CB 0.936 41.311 40.800 -0.707 0.000 1.179 48 D HN -0.227 nan 8.370 nan 0.000 0.456 49 E N 1.256 121.330 120.200 -0.210 0.000 2.472 49 E HA -0.105 4.247 4.350 0.003 0.000 0.200 49 E C 1.087 177.652 176.600 -0.057 0.000 1.046 49 E CA 0.341 56.672 56.400 -0.114 0.000 0.871 49 E CB -0.219 29.451 29.700 -0.049 0.000 0.806 49 E HN 0.641 nan 8.360 nan 0.000 0.533 50 F N -2.384 117.609 119.950 0.072 0.000 2.699 50 F HA 0.067 4.595 4.527 0.001 0.000 0.298 50 F C 1.390 177.312 175.800 0.203 0.000 1.154 50 F CA 0.098 58.176 58.000 0.129 0.000 1.457 50 F CB -0.838 38.306 39.000 0.239 0.000 1.106 50 F HN -0.125 nan 8.300 nan 0.000 0.585 51 V N 1.085 121.019 119.914 0.033 0.000 2.273 51 V HA -0.216 3.906 4.120 0.003 0.000 0.242 51 V C 2.674 178.851 176.094 0.139 0.000 1.035 51 V CA 2.410 64.788 62.300 0.130 0.000 1.013 51 V CB -1.140 30.651 31.823 -0.053 0.000 0.652 51 V HN 0.554 nan 8.190 nan 0.000 0.452 52 T N -1.133 113.445 114.554 0.041 0.000 2.857 52 T HA -0.231 4.121 4.350 0.003 0.000 0.266 52 T C 1.859 176.565 174.700 0.010 0.000 1.048 52 T CA 1.571 63.687 62.100 0.027 0.000 1.139 52 T CB -0.321 68.542 68.868 -0.009 0.000 0.874 52 T HN 0.407 nan 8.240 nan 0.000 0.455 53 K N 0.365 120.736 120.400 -0.049 0.000 2.059 53 K HA -0.164 4.158 4.320 0.003 0.000 0.212 53 K C 1.413 177.853 176.600 -0.267 0.000 1.050 53 K CA 1.775 57.927 56.287 -0.225 0.000 0.927 53 K CB -0.305 31.985 32.500 -0.351 0.000 0.714 53 K HN 0.619 nan 8.250 nan 0.000 0.447 54 W N 1.053 122.418 121.300 0.109 0.000 3.316 54 W HA 0.106 4.767 4.660 0.001 0.000 0.327 54 W C -0.198 176.368 176.519 0.078 0.000 1.232 54 W CA -0.529 56.873 57.345 0.095 0.000 1.805 54 W CB 0.284 29.815 29.460 0.118 0.000 1.090 54 W HN 0.217 nan 8.180 nan 0.000 0.654 55 D N 1.694 122.230 120.400 0.227 0.000 2.779 55 D HA -0.213 4.429 4.640 0.003 0.000 0.223 55 D C -0.026 176.378 176.300 0.173 0.000 1.227 55 D CA 0.611 54.705 54.000 0.156 0.000 0.653 55 D CB -0.844 40.021 40.800 0.108 0.000 0.973 55 D HN 0.112 nan 8.370 nan 0.000 0.402 56 L N -0.033 121.318 121.223 0.214 0.000 2.485 56 L HA 0.185 4.527 4.340 0.003 0.000 0.275 56 L C 1.992 178.929 176.870 0.112 0.000 1.207 56 L CA 0.204 55.154 54.840 0.183 0.000 0.855 56 L CB 0.433 42.635 42.059 0.239 0.000 1.114 56 L HN 0.294 nan 8.230 nan 0.000 0.485 57 A N 3.432 126.299 122.820 0.079 0.000 2.067 57 A HA 0.105 4.427 4.320 0.003 0.000 0.217 57 A C 0.698 178.298 177.584 0.027 0.000 1.156 57 A CA 0.429 52.492 52.037 0.043 0.000 0.683 57 A CB 0.008 19.023 19.000 0.024 0.000 0.808 57 A HN 0.404 nan 8.150 nan 0.000 0.455 58 V N 0.410 120.347 119.914 0.039 0.000 2.394 58 V HA 0.287 4.408 4.120 0.003 0.000 0.282 58 V C 0.330 176.460 176.094 0.059 0.000 1.031 58 V CA -0.317 61.995 62.300 0.019 0.000 0.881 58 V CB 1.355 33.169 31.823 -0.015 0.000 0.982 58 V HN 0.427 nan 8.190 nan 0.000 0.451 59 K N 4.852 125.270 120.400 0.031 0.000 2.533 59 K HA 0.429 4.750 4.320 0.003 0.000 0.202 59 K C -0.292 176.315 176.600 0.011 0.000 1.096 59 K CA -0.035 56.273 56.287 0.035 0.000 1.056 59 K CB 0.708 33.225 32.500 0.029 0.000 0.890 59 K HN 0.743 nan 8.250 nan 0.000 0.552 60 I N -3.317 117.247 120.570 -0.011 0.000 3.042 60 I HA 0.864 5.035 4.170 0.003 0.000 0.310 60 I C -0.123 175.937 176.117 -0.096 0.000 1.117 60 I CA -1.100 60.166 61.300 -0.057 0.000 1.003 60 I CB 2.393 40.361 38.000 -0.053 0.000 1.228 60 I HN -0.009 nan 8.210 nan 0.000 0.443 61 G N 0.910 109.578 108.800 -0.220 0.000 2.320 61 G HA2 0.477 4.439 3.960 0.003 0.000 0.297 61 G HA3 0.477 4.439 3.960 0.003 0.000 0.297 61 G C -1.438 173.146 174.900 -0.526 0.000 1.344 61 G CA -0.292 44.665 45.100 -0.237 0.000 0.851 61 G HN 1.045 nan 8.290 nan 0.000 0.567 62 G N 0.007 108.613 108.800 -0.322 0.000 2.671 62 G HA2 0.567 4.529 3.960 0.003 0.000 0.318 62 G HA3 0.567 4.529 3.960 0.003 0.000 0.318 62 G C -0.434 174.431 174.900 -0.060 0.000 1.250 62 G CA -0.467 44.484 45.100 -0.249 0.000 1.028 62 G HN 0.591 nan 8.290 nan 0.000 0.501 63 H N 1.660 120.858 119.070 0.214 0.000 2.690 63 H HA 0.129 4.687 4.556 0.003 0.000 0.365 63 H C 1.100 176.548 175.328 0.200 0.000 1.142 63 H CA -0.104 56.088 56.048 0.240 0.000 1.417 63 H CB 1.348 31.293 29.762 0.306 0.000 1.446 63 H HN 0.271 nan 8.280 nan 0.000 0.599 64 L N 2.162 123.565 121.223 0.301 0.000 2.543 64 L HA -0.156 4.186 4.340 0.003 0.000 0.285 64 L C 1.803 178.789 176.870 0.195 0.000 1.236 64 L CA 0.237 55.206 54.840 0.214 0.000 0.871 64 L CB 0.340 42.520 42.059 0.200 0.000 1.121 64 L HN 0.589 nan 8.230 nan 0.000 0.501 65 K N 1.759 122.253 120.400 0.155 0.000 2.062 65 K HA -0.111 4.211 4.320 0.003 0.000 0.205 65 K C 0.313 176.979 176.600 0.110 0.000 1.051 65 K CA 1.218 57.579 56.287 0.124 0.000 0.941 65 K CB 0.073 32.636 32.500 0.106 0.000 0.719 65 K HN 0.567 nan 8.250 nan 0.000 0.440 66 D N 0.701 121.178 120.400 0.129 0.000 2.461 66 D HA 0.266 4.908 4.640 0.003 0.000 0.240 66 D C -2.646 173.765 176.300 0.185 0.000 1.094 66 D CA -2.744 51.348 54.000 0.153 0.000 0.868 66 D CB 1.028 41.944 40.800 0.195 0.000 1.062 66 D HN -0.075 nan 8.370 nan 0.000 0.530 67 P HA -0.084 nan 4.420 nan 0.000 0.263 67 P C 1.114 178.557 177.300 0.239 0.000 1.175 67 P CA -0.243 62.954 63.100 0.161 0.000 0.761 67 P CB 1.007 32.760 31.700 0.088 0.000 0.794 68 V N 2.615 122.674 119.914 0.241 0.000 2.343 68 V HA -0.213 3.909 4.120 0.003 0.000 0.247 68 V C 1.418 177.634 176.094 0.203 0.000 1.051 68 V CA 2.056 64.465 62.300 0.182 0.000 1.036 68 V CB -0.737 31.052 31.823 -0.056 0.000 0.654 68 V HN 0.555 nan 8.190 nan 0.000 0.451 69 D N -0.121 120.387 120.400 0.180 0.000 2.371 69 D HA -0.048 4.594 4.640 0.003 0.000 0.221 69 D C 2.093 178.431 176.300 0.064 0.000 0.986 69 D CA 1.138 55.213 54.000 0.125 0.000 0.899 69 D CB -0.070 40.818 40.800 0.146 0.000 0.902 69 D HN 0.610 nan 8.370 nan 0.000 0.530 70 S N -0.614 115.097 115.700 0.019 0.000 2.650 70 S HA -0.050 4.422 4.470 0.003 0.000 0.219 70 S C 1.025 175.435 174.600 -0.316 0.000 0.960 70 S CA 0.204 58.317 58.200 -0.145 0.000 0.925 70 S CB -0.271 62.806 63.200 -0.205 0.000 0.775 70 S HN 0.352 nan 8.310 nan 0.000 0.525 71 H N 0.000 119.081 119.070 0.018 0.000 2.923 71 H HA 0.407 4.965 4.556 0.003 0.000 0.268 71 H C -0.337 174.994 175.328 0.005 0.000 1.148 71 H CA -0.248 55.806 56.048 0.010 0.000 1.146 71 H CB 0.350 30.115 29.762 0.006 0.000 1.607 71 H HN 0.400 nan 8.280 nan 0.000 0.566 72 M N 1.163 120.817 119.600 0.090 0.000 2.253 72 M HA 0.354 4.835 4.480 0.003 0.000 0.314 72 M C 0.794 177.116 176.300 0.037 0.000 1.019 72 M CA -0.560 54.776 55.300 0.060 0.000 0.932 72 M CB 1.927 34.560 32.600 0.054 0.000 1.606 72 M HN 0.099 nan 8.290 nan 0.000 0.430 73 G N 1.562 110.380 108.800 0.030 0.000 2.562 73 G HA2 0.354 4.316 3.960 0.003 0.000 0.275 73 G HA3 0.354 4.316 3.960 0.003 0.000 0.275 73 G C 0.680 175.592 174.900 0.020 0.000 1.196 73 G CA -0.343 44.770 45.100 0.022 0.000 0.908 73 G HN 0.844 nan 8.290 nan 0.000 0.524 74 R N -0.509 120.001 120.500 0.017 0.000 2.127 74 R HA -0.008 4.334 4.340 0.003 0.000 0.238 74 R C 2.444 178.754 176.300 0.016 0.000 1.134 74 R CA 1.051 57.161 56.100 0.017 0.000 0.975 74 R CB -0.275 30.033 30.300 0.013 0.000 0.865 74 R HN 0.545 nan 8.270 nan 0.000 0.447 75 L N -0.090 121.142 121.223 0.014 0.000 2.044 75 L HA -0.182 4.160 4.340 0.003 0.000 0.205 75 L C 1.608 178.486 176.870 0.012 0.000 1.075 75 L CA 1.381 56.228 54.840 0.012 0.000 0.747 75 L CB -0.474 41.590 42.059 0.008 0.000 0.903 75 L HN 0.253 nan 8.230 nan 0.000 0.435 76 D N -0.229 120.179 120.400 0.013 0.000 2.123 76 D HA -0.216 4.426 4.640 0.003 0.000 0.196 76 D C 2.232 178.544 176.300 0.019 0.000 0.992 76 D CA 1.232 55.239 54.000 0.012 0.000 0.833 76 D CB -0.078 40.728 40.800 0.011 0.000 0.954 76 D HN 0.163 nan 8.370 nan 0.000 0.455 77 M N 0.090 119.706 119.600 0.027 0.000 2.213 77 M HA -0.076 4.406 4.480 0.003 0.000 0.263 77 M C 1.929 178.250 176.300 0.035 0.000 1.062 77 M CA 1.166 56.489 55.300 0.038 0.000 1.105 77 M CB -0.521 32.102 32.600 0.040 0.000 1.385 77 M HN 0.030 nan 8.290 nan 0.000 0.417 78 R N -1.056 119.459 120.500 0.026 0.000 2.189 78 R HA 0.081 4.423 4.340 0.003 0.000 0.203 78 R C 2.006 178.318 176.300 0.020 0.000 1.012 78 R CA 0.463 56.577 56.100 0.023 0.000 1.015 78 R CB 0.272 30.582 30.300 0.017 0.000 0.938 78 R HN 0.367 nan 8.270 nan 0.000 0.472 79 R N -0.834 119.676 120.500 0.016 0.000 2.279 79 R HA 0.284 4.625 4.340 0.003 0.000 0.195 79 R C 0.505 176.811 176.300 0.010 0.000 0.905 79 R CA 0.292 56.399 56.100 0.011 0.000 1.044 79 R CB 0.573 30.877 30.300 0.006 0.000 1.056 79 R HN 0.028 nan 8.270 nan 0.000 0.535 80 M N 0.178 119.787 119.600 0.014 0.000 2.664 80 M HA 0.249 4.731 4.480 0.003 0.000 0.314 80 M C 0.073 176.391 176.300 0.030 0.000 1.200 80 M CA -0.710 54.598 55.300 0.012 0.000 0.916 80 M CB 2.280 34.879 32.600 -0.002 0.000 1.717 80 M HN -0.060 nan 8.290 nan 0.000 0.470 81 S N -0.074 115.647 115.700 0.034 0.000 2.655 81 S HA 0.171 4.642 4.470 0.003 0.000 0.265 81 S C 0.613 175.267 174.600 0.090 0.000 1.240 81 S CA -0.525 57.715 58.200 0.068 0.000 0.986 81 S CB 0.492 63.729 63.200 0.061 0.000 0.985 81 S HN 0.762 nan 8.310 nan 0.000 0.562 82 Y N 1.241 121.548 120.300 0.012 0.000 2.181 82 Y HA -0.153 4.399 4.550 0.004 0.000 0.288 82 Y C 2.267 178.175 175.900 0.014 0.000 1.146 82 Y CA 2.108 60.217 58.100 0.016 0.000 1.164 82 Y CB -0.764 37.706 38.460 0.017 0.000 0.982 82 Y HN 0.514 nan 8.280 nan 0.000 0.515 83 V N -1.213 118.751 119.914 0.083 0.000 2.343 83 V HA -0.301 3.821 4.120 0.003 0.000 0.247 83 V C 1.949 177.998 176.094 -0.075 0.000 1.051 83 V CA 2.134 64.429 62.300 -0.007 0.000 1.036 83 V CB -1.168 30.687 31.823 0.053 0.000 0.654 83 V HN 0.475 nan 8.190 nan 0.000 0.451 84 Q N 0.246 120.019 119.800 -0.045 0.000 2.084 84 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 84 Q C 2.552 178.502 176.000 -0.084 0.000 0.978 84 Q CA 2.098 57.870 55.803 -0.051 0.000 0.844 84 Q CB -0.233 28.489 28.738 -0.026 0.000 0.898 84 Q HN 0.673 nan 8.270 nan 0.000 0.426 85 R N 0.342 120.770 120.500 -0.120 0.000 2.062 85 R HA -0.098 4.244 4.340 0.003 0.000 0.231 85 R C 2.358 178.538 176.300 -0.200 0.000 1.136 85 R CA 1.503 57.515 56.100 -0.146 0.000 0.948 85 R CB -0.478 29.732 30.300 -0.150 0.000 0.845 85 R HN 0.318 nan 8.270 nan 0.000 0.430 86 M N 0.784 120.182 119.600 -0.336 0.000 2.106 86 M HA -0.133 4.349 4.480 0.003 0.000 0.259 86 M C 2.065 178.279 176.300 -0.143 0.000 1.068 86 M CA 2.261 57.393 55.300 -0.280 0.000 1.100 86 M CB -0.435 31.962 32.600 -0.338 0.000 1.351 86 M HN 0.248 nan 8.290 nan 0.000 0.404 87 G N 0.546 109.278 108.800 -0.114 0.000 2.446 87 G HA2 -0.286 3.676 3.960 0.003 0.000 0.217 87 G HA3 -0.286 3.676 3.960 0.003 0.000 0.217 87 G C 1.526 176.391 174.900 -0.059 0.000 1.168 87 G CA 1.252 46.312 45.100 -0.067 0.000 0.771 87 G HN 0.589 nan 8.290 nan 0.000 0.551 88 K N -0.352 120.008 120.400 -0.068 0.000 2.032 88 K HA -0.091 4.231 4.320 0.003 0.000 0.209 88 K C 2.414 178.983 176.600 -0.051 0.000 1.048 88 K CA 1.278 57.532 56.287 -0.054 0.000 0.927 88 K CB -0.311 32.159 32.500 -0.050 0.000 0.712 88 K HN 0.223 nan 8.250 nan 0.000 0.441 89 L N 1.780 122.959 121.223 -0.073 0.000 1.943 89 L HA -0.197 4.144 4.340 0.003 0.000 0.215 89 L C 2.161 178.992 176.870 -0.065 0.000 1.074 89 L CA 1.741 56.526 54.840 -0.091 0.000 0.759 89 L CB -0.748 41.227 42.059 -0.139 0.000 0.888 89 L HN 0.274 nan 8.230 nan 0.000 0.433 90 L N -0.963 120.227 121.223 -0.055 0.000 2.046 90 L HA -0.129 4.213 4.340 0.003 0.000 0.208 90 L C 2.553 179.434 176.870 0.018 0.000 1.077 90 L CA 1.263 56.091 54.840 -0.020 0.000 0.747 90 L CB -1.622 40.429 42.059 -0.014 0.000 0.896 90 L HN 0.501 nan 8.230 nan 0.000 0.432 91 G N 0.085 108.893 108.800 0.013 0.000 2.469 91 G HA2 -0.221 3.741 3.960 0.003 0.000 0.219 91 G HA3 -0.221 3.741 3.960 0.003 0.000 0.219 91 G C 1.575 176.516 174.900 0.068 0.000 1.150 91 G CA 0.888 46.012 45.100 0.040 0.000 0.763 91 G HN 0.494 nan 8.290 nan 0.000 0.561 92 G N 0.040 108.861 108.800 0.035 0.000 2.404 92 G HA2 -0.146 3.816 3.960 0.003 0.000 0.215 92 G HA3 -0.146 3.816 3.960 0.003 0.000 0.215 92 G C 1.790 176.747 174.900 0.094 0.000 1.174 92 G CA 1.000 46.135 45.100 0.059 0.000 0.780 92 G HN 0.503 nan 8.290 nan 0.000 0.537 93 Q N -0.621 119.208 119.800 0.048 0.000 2.170 93 Q HA -0.045 4.296 4.340 0.003 0.000 0.203 93 Q C 2.444 178.486 176.000 0.070 0.000 0.976 93 Q CA 1.038 56.864 55.803 0.039 0.000 0.858 93 Q CB -0.195 28.540 28.738 -0.004 0.000 0.907 93 Q HN 0.443 nan 8.270 nan 0.000 0.433 94 L N -0.497 120.790 121.223 0.107 0.000 2.109 94 L HA -0.099 4.243 4.340 0.003 0.000 0.207 94 L C 1.818 178.786 176.870 0.163 0.000 1.086 94 L CA 1.524 56.437 54.840 0.121 0.000 0.760 94 L CB -0.428 41.720 42.059 0.149 0.000 0.910 94 L HN 0.370 nan 8.230 nan 0.000 0.437 95 W N 0.578 121.881 121.300 0.004 0.000 2.388 95 W HA -0.183 4.479 4.660 0.003 0.000 0.294 95 W C 2.252 178.765 176.519 -0.010 0.000 1.212 95 W CA 1.603 58.948 57.345 0.001 0.000 1.271 95 W CB 0.166 29.636 29.460 0.017 0.000 1.126 95 W HN 0.404 nan 8.180 nan 0.000 0.535 96 E N -0.080 120.196 120.200 0.127 0.000 2.072 96 E HA -0.174 4.177 4.350 0.003 0.000 0.191 96 E C 2.121 178.691 176.600 -0.049 0.000 0.985 96 E CA 1.411 57.826 56.400 0.025 0.000 0.801 96 E CB -0.255 29.477 29.700 0.053 0.000 0.750 96 E HN -0.044 nan 8.360 nan 0.000 0.452 97 S N -0.070 115.610 115.700 -0.033 0.000 2.419 97 S HA -0.110 4.361 4.470 0.003 0.000 0.235 97 S C 1.669 176.202 174.600 -0.112 0.000 1.019 97 S CA 0.952 59.119 58.200 -0.056 0.000 0.982 97 S CB -0.030 63.151 63.200 -0.031 0.000 0.789 97 S HN 0.434 nan 8.310 nan 0.000 0.490 98 A N -0.199 122.510 122.820 -0.186 0.000 2.275 98 A HA 0.527 4.849 4.320 0.003 0.000 0.212 98 A C 1.507 178.905 177.584 -0.311 0.000 1.201 98 A CA 0.719 52.594 52.037 -0.271 0.000 0.843 98 A CB -0.475 18.289 19.000 -0.394 0.000 0.873 98 A HN 0.803 nan 8.150 nan 0.000 0.492 99 G N -1.592 107.055 108.800 -0.256 0.000 2.157 99 G HA2 -0.143 3.819 3.960 0.003 0.000 0.239 99 G HA3 -0.143 3.819 3.960 0.003 0.000 0.239 99 G C 0.445 175.196 174.900 -0.249 0.000 0.982 99 G CA 0.194 45.169 45.100 -0.209 0.000 0.650 99 G HN 1.300 nan 8.290 nan 0.000 0.527 100 S N 0.126 115.581 115.700 -0.408 0.000 3.608 100 S HA -0.128 4.344 4.470 0.003 0.000 0.382 100 S C -1.300 173.097 174.600 -0.339 0.000 0.945 100 S CA 0.864 58.806 58.200 -0.430 0.000 1.256 100 S CB -0.906 62.285 63.200 -0.015 0.000 0.913 100 S HN 1.036 nan 8.310 nan 0.000 0.518 101 P HA 0.200 nan 4.420 nan 0.000 0.268 101 P C -0.179 177.107 177.300 -0.023 0.000 1.205 101 P CA 0.148 63.063 63.100 -0.308 0.000 0.771 101 P CB 0.550 31.991 31.700 -0.432 0.000 0.858 102 E N 1.965 122.179 120.200 0.024 0.000 2.001 102 E HA 0.227 4.578 4.350 0.003 0.000 0.279 102 E C 0.303 176.957 176.600 0.090 0.000 1.045 102 E CA -0.489 55.972 56.400 0.103 0.000 0.833 102 E CB 1.057 30.796 29.700 0.065 0.000 1.077 102 E HN 0.288 nan 8.360 nan 0.000 0.397 103 V N -0.250 119.753 119.914 0.148 0.000 3.096 103 V HA 0.394 4.516 4.120 0.003 0.000 0.319 103 V C 0.264 176.447 176.094 0.148 0.000 1.082 103 V CA -1.091 61.298 62.300 0.149 0.000 1.022 103 V CB 1.843 33.729 31.823 0.104 0.000 1.103 103 V HN 0.287 nan 8.190 nan 0.000 0.455 104 D N 2.759 123.252 120.400 0.156 0.000 2.374 104 D HA 0.325 4.967 4.640 0.003 0.000 0.240 104 D C -1.285 175.117 176.300 0.170 0.000 1.229 104 D CA -2.222 51.858 54.000 0.134 0.000 0.895 104 D CB 1.466 42.334 40.800 0.112 0.000 1.046 104 D HN 0.466 nan 8.370 nan 0.000 0.498 105 P HA -0.110 nan 4.420 nan 0.000 0.223 105 P C 0.337 177.734 177.300 0.162 0.000 1.144 105 P CA 0.571 63.823 63.100 0.254 0.000 0.783 105 P CB 0.496 32.298 31.700 0.170 0.000 0.771 106 D N -0.379 120.085 120.400 0.107 0.000 2.371 106 D HA -0.049 4.593 4.640 0.003 0.000 0.221 106 D C 1.366 177.708 176.300 0.069 0.000 0.986 106 D CA 0.685 54.724 54.000 0.065 0.000 0.899 106 D CB -0.063 40.766 40.800 0.048 0.000 0.902 106 D HN 0.140 nan 8.370 nan 0.000 0.530 107 R N -0.174 120.391 120.500 0.109 0.000 2.596 107 R HA 0.159 4.501 4.340 0.003 0.000 0.369 107 R C -0.463 175.929 176.300 0.154 0.000 1.042 107 R CA -0.424 55.728 56.100 0.088 0.000 1.120 107 R CB 0.279 30.614 30.300 0.059 0.000 1.353 107 R HN 0.014 nan 8.270 nan 0.000 0.564 108 F N 1.424 121.366 119.950 -0.013 0.000 2.445 108 F HA 0.697 5.226 4.527 0.003 0.000 0.348 108 F C -0.911 174.883 175.800 -0.011 0.000 1.125 108 F CA -2.197 55.802 58.000 -0.003 0.000 0.983 108 F CB 1.076 40.096 39.000 0.033 0.000 1.198 108 F HN 0.019 nan 8.300 nan 0.000 0.436 109 A N 4.610 127.453 122.820 0.039 0.000 2.313 109 A HA 0.922 5.244 4.320 0.003 0.000 0.323 109 A C -1.565 175.877 177.584 -0.237 0.000 1.133 109 A CA -0.719 51.219 52.037 -0.165 0.000 0.847 109 A CB 1.701 20.678 19.000 -0.037 0.000 1.308 109 A HN 0.564 nan 8.150 nan 0.000 0.475 110 V N 0.270 120.058 119.914 -0.210 0.000 2.686 110 V HA 0.546 4.668 4.120 0.003 0.000 0.306 110 V C -1.111 174.949 176.094 -0.057 0.000 1.065 110 V CA -0.373 61.846 62.300 -0.135 0.000 0.894 110 V CB 1.880 33.572 31.823 -0.219 0.000 1.004 110 V HN 0.719 nan 8.190 nan 0.000 0.424 111 V N 5.044 124.960 119.914 0.004 0.000 2.524 111 V HA 0.653 4.775 4.120 0.003 0.000 0.297 111 V C -0.832 175.281 176.094 0.033 0.000 1.035 111 V CA -0.561 61.752 62.300 0.021 0.000 0.867 111 V CB 1.931 33.793 31.823 0.065 0.000 1.004 111 V HN 0.579 nan 8.190 nan 0.000 0.426 112 V N 3.500 123.424 119.914 0.016 0.000 2.567 112 V HA 0.751 4.873 4.120 0.003 0.000 0.298 112 V C 0.571 176.674 176.094 0.015 0.000 1.047 112 V CA -0.263 62.049 62.300 0.019 0.000 0.880 112 V CB 1.855 33.682 31.823 0.006 0.000 1.009 112 V HN 0.930 nan 8.190 nan 0.000 0.429 113 G N 1.811 110.626 108.800 0.025 0.000 2.502 113 G HA2 0.690 4.652 3.960 0.003 0.000 0.305 113 G HA3 0.690 4.652 3.960 0.003 0.000 0.305 113 G C -0.514 174.397 174.900 0.020 0.000 1.190 113 G CA -0.329 44.783 45.100 0.021 0.000 0.933 113 G HN 0.705 nan 8.290 nan 0.000 0.503 114 T N -1.921 112.644 114.554 0.018 0.000 2.840 114 T HA 0.501 4.853 4.350 0.003 0.000 0.317 114 T C 1.281 175.998 174.700 0.029 0.000 1.401 114 T CA 0.481 62.597 62.100 0.026 0.000 1.028 114 T CB 1.296 70.179 68.868 0.026 0.000 1.317 114 T HN 0.734 nan 8.240 nan 0.000 0.495 115 G N 1.047 109.871 108.800 0.039 0.000 2.402 115 G HA2 0.074 4.036 3.960 0.003 0.000 0.216 115 G HA3 0.074 4.036 3.960 0.003 0.000 0.216 115 G C 1.048 175.980 174.900 0.054 0.000 1.162 115 G CA 0.975 46.106 45.100 0.052 0.000 0.777 115 G HN 0.550 nan 8.290 nan 0.000 0.539 116 L N -2.522 118.728 121.223 0.045 0.000 2.658 116 L HA 0.472 4.814 4.340 0.003 0.000 0.222 116 L C 1.213 178.099 176.870 0.026 0.000 1.033 116 L CA 0.870 55.732 54.840 0.036 0.000 0.949 116 L CB 0.725 42.806 42.059 0.036 0.000 1.698 116 L HN 0.517 nan 8.230 nan 0.000 0.498 117 G N -0.324 108.496 108.800 0.032 0.000 2.301 117 G HA2 -0.113 3.849 3.960 0.003 0.000 0.194 117 G HA3 -0.113 3.849 3.960 0.003 0.000 0.194 117 G C 0.033 174.958 174.900 0.041 0.000 1.266 117 G CA -0.360 44.758 45.100 0.030 0.000 1.210 117 G HN 0.348 nan 8.290 nan 0.000 0.524 118 G N 0.424 109.245 108.800 0.035 0.000 3.506 118 G HA2 0.644 4.606 3.960 0.003 0.000 0.268 118 G HA3 0.644 4.606 3.960 0.003 0.000 0.268 118 G C 1.000 175.919 174.900 0.032 0.000 0.959 118 G CA 1.302 46.429 45.100 0.045 0.000 1.823 118 G HN 1.726 nan 8.290 nan 0.000 0.615 119 A N 1.477 124.311 122.820 0.025 0.000 2.014 119 A HA 0.062 4.383 4.320 0.003 0.000 0.218 119 A C 2.100 179.687 177.584 0.005 0.000 1.163 119 A CA 1.426 53.467 52.037 0.007 0.000 0.652 119 A CB 0.033 19.030 19.000 -0.005 0.000 0.808 119 A HN 0.492 nan 8.150 nan 0.000 0.449 120 E N 0.358 120.565 120.200 0.012 0.000 2.209 120 E HA -0.170 4.182 4.350 0.003 0.000 0.196 120 E C 1.824 178.442 176.600 0.030 0.000 0.993 120 E CA 1.045 57.453 56.400 0.014 0.000 0.819 120 E CB -0.255 29.456 29.700 0.018 0.000 0.745 120 E HN 0.370 nan 8.360 nan 0.000 0.477 121 R N 0.276 120.796 120.500 0.034 0.000 2.153 121 R HA 0.134 4.476 4.340 0.003 0.000 0.218 121 R C 2.247 178.571 176.300 0.040 0.000 1.072 121 R CA 0.580 56.703 56.100 0.038 0.000 0.990 121 R CB -0.444 29.877 30.300 0.035 0.000 0.889 121 R HN 0.330 nan 8.270 nan 0.000 0.452 122 I N 0.806 121.393 120.570 0.030 0.000 2.202 122 I HA -0.234 3.938 4.170 0.003 0.000 0.242 122 I C 2.392 178.544 176.117 0.058 0.000 1.091 122 I CA 1.335 62.651 61.300 0.027 0.000 1.368 122 I CB -0.353 37.642 38.000 -0.009 0.000 1.058 122 I HN -0.051 nan 8.210 nan 0.000 0.410 123 V N -1.473 118.471 119.914 0.051 0.000 2.453 123 V HA -0.198 3.924 4.120 0.003 0.000 0.247 123 V C 2.222 178.406 176.094 0.150 0.000 1.048 123 V CA 1.702 64.065 62.300 0.104 0.000 1.049 123 V CB -0.710 31.147 31.823 0.058 0.000 0.672 123 V HN 0.492 nan 8.190 nan 0.000 0.457 124 E N 1.232 121.486 120.200 0.092 0.000 2.017 124 E HA -0.210 4.142 4.350 0.003 0.000 0.193 124 E C 2.276 178.921 176.600 0.075 0.000 0.997 124 E CA 1.927 58.370 56.400 0.073 0.000 0.804 124 E CB -0.264 29.467 29.700 0.052 0.000 0.757 124 E HN 0.680 nan 8.360 nan 0.000 0.448 125 S N -0.293 115.455 115.700 0.080 0.000 2.419 125 S HA -0.194 4.278 4.470 0.003 0.000 0.235 125 S C 1.542 176.204 174.600 0.103 0.000 1.019 125 S CA 1.367 59.611 58.200 0.074 0.000 0.982 125 S CB -0.414 62.827 63.200 0.068 0.000 0.789 125 S HN 0.460 nan 8.310 nan 0.000 0.490 126 Y N 1.960 122.263 120.300 0.004 0.000 2.269 126 Y HA -0.078 4.475 4.550 0.006 0.000 0.294 126 Y C 1.919 177.822 175.900 0.005 0.000 1.120 126 Y CA 1.180 59.282 58.100 0.003 0.000 1.159 126 Y CB -0.161 38.299 38.460 -0.000 0.000 1.024 126 Y HN 0.082 nan 8.280 nan 0.000 0.532 127 D N 0.681 121.048 120.400 -0.055 0.000 2.104 127 D HA -0.202 4.440 4.640 0.003 0.000 0.194 127 D C 2.198 178.427 176.300 -0.119 0.000 0.994 127 D CA 1.662 55.587 54.000 -0.125 0.000 0.830 127 D CB -0.319 40.480 40.800 -0.001 0.000 0.959 127 D HN 0.414 nan 8.370 nan 0.000 0.452 128 L N -0.041 121.149 121.223 -0.055 0.000 2.093 128 L HA -0.090 4.252 4.340 0.003 0.000 0.208 128 L C 2.608 179.444 176.870 -0.057 0.000 1.085 128 L CA 0.641 55.457 54.840 -0.039 0.000 0.755 128 L CB -0.209 41.845 42.059 -0.009 0.000 0.904 128 L HN 0.063 nan 8.230 nan 0.000 0.435 129 M N -0.339 119.220 119.600 -0.068 0.000 2.175 129 M HA -0.174 4.308 4.480 0.003 0.000 0.264 129 M C 1.871 178.112 176.300 -0.098 0.000 1.063 129 M CA 1.497 56.759 55.300 -0.063 0.000 1.119 129 M CB -0.315 32.263 32.600 -0.037 0.000 1.377 129 M HN 0.297 nan 8.290 nan 0.000 0.415 130 N N 0.674 119.266 118.700 -0.180 0.000 2.223 130 N HA -0.080 4.662 4.740 0.003 0.000 0.185 130 N C 1.435 176.878 175.510 -0.112 0.000 1.016 130 N CA 1.660 54.598 53.050 -0.187 0.000 0.863 130 N CB -0.252 38.044 38.487 -0.319 0.000 0.983 130 N HN 0.371 nan 8.380 nan 0.000 0.429 131 A N -1.072 121.692 122.820 -0.092 0.000 2.063 131 A HA 0.417 4.739 4.320 0.003 0.000 0.211 131 A C 1.758 179.318 177.584 -0.040 0.000 1.177 131 A CA 1.039 53.041 52.037 -0.058 0.000 0.759 131 A CB 0.079 19.050 19.000 -0.049 0.000 0.857 131 A HN 0.317 nan 8.150 nan 0.000 0.468 132 G N -1.868 106.909 108.800 -0.039 0.000 3.581 132 G HA2 0.505 4.466 3.960 0.003 0.000 0.248 132 G HA3 0.505 4.466 3.960 0.003 0.000 0.248 132 G C 0.748 175.635 174.900 -0.022 0.000 1.037 132 G CA 0.597 45.682 45.100 -0.025 0.000 0.902 132 G HN 1.575 nan 8.290 nan 0.000 0.512 133 G N 0.801 109.584 108.800 -0.029 0.000 2.760 133 G HA2 -0.119 3.843 3.960 0.003 0.000 0.246 133 G HA3 -0.119 3.843 3.960 0.003 0.000 0.246 133 G C -0.978 173.914 174.900 -0.014 0.000 1.359 133 G CA -0.130 44.957 45.100 -0.022 0.000 0.861 133 G HN 0.086 nan 8.290 nan 0.000 0.541 134 P HA -0.151 nan 4.420 nan 0.000 0.217 134 P C 1.588 178.888 177.300 0.000 0.000 1.148 134 P CA 1.620 64.720 63.100 -0.000 0.000 0.828 134 P CB 0.030 31.731 31.700 0.001 0.000 0.783 135 R N 0.080 120.578 120.500 -0.002 0.000 2.285 135 R HA -0.016 4.325 4.340 0.003 0.000 0.213 135 R C 1.947 178.247 176.300 -0.000 0.000 1.068 135 R CA 1.022 57.121 56.100 -0.001 0.000 1.004 135 R CB -0.634 29.665 30.300 -0.002 0.000 0.873 135 R HN -0.043 nan 8.270 nan 0.000 0.467 136 K N -0.472 119.927 120.400 -0.002 0.000 2.418 136 K HA 0.140 4.462 4.320 0.003 0.000 0.195 136 K C -0.109 176.493 176.600 0.003 0.000 1.035 136 K CA 0.184 56.470 56.287 -0.002 0.000 1.003 136 K CB 0.209 32.705 32.500 -0.008 0.000 0.793 136 K HN -0.018 nan 8.250 nan 0.000 0.494 137 V N 2.243 122.161 119.914 0.006 0.000 2.572 137 V HA 0.008 4.130 4.120 0.003 0.000 0.291 137 V C 0.784 176.885 176.094 0.012 0.000 1.039 137 V CA -0.382 61.926 62.300 0.012 0.000 1.055 137 V CB 1.202 33.034 31.823 0.016 0.000 0.969 137 V HN 0.146 nan 8.190 nan 0.000 0.482 138 S N 6.140 121.849 115.700 0.014 0.000 2.549 138 S HA 0.168 4.639 4.470 0.003 0.000 0.283 138 S C -1.315 173.291 174.600 0.011 0.000 1.320 138 S CA -0.869 57.339 58.200 0.012 0.000 1.058 138 S CB 0.857 64.066 63.200 0.015 0.000 0.882 138 S HN 0.648 nan 8.310 nan 0.000 0.498 139 P HA 0.055 nan 4.420 nan 0.000 0.231 139 P C 0.407 177.710 177.300 0.005 0.000 1.158 139 P CA 0.831 63.935 63.100 0.006 0.000 0.763 139 P CB 0.042 31.744 31.700 0.004 0.000 0.805 140 L N -2.564 118.663 121.223 0.007 0.000 2.693 140 L HA 0.306 4.648 4.340 0.003 0.000 0.235 140 L C 2.070 178.945 176.870 0.009 0.000 1.127 140 L CA 0.071 54.915 54.840 0.006 0.000 0.914 140 L CB -0.576 41.486 42.059 0.006 0.000 1.193 140 L HN -0.095 nan 8.230 nan 0.000 0.502 141 A N 0.758 123.585 122.820 0.012 0.000 1.917 141 A HA -0.170 4.151 4.320 0.003 0.000 0.219 141 A C 2.296 179.888 177.584 0.013 0.000 1.182 141 A CA 2.039 54.086 52.037 0.016 0.000 0.633 141 A CB -0.606 18.406 19.000 0.020 0.000 0.819 141 A HN 0.180 nan 8.150 nan 0.000 0.448 142 V N 0.959 120.878 119.914 0.009 0.000 2.270 142 V HA -0.324 3.798 4.120 0.003 0.000 0.245 142 V C 2.827 178.922 176.094 0.002 0.000 1.043 142 V CA 2.319 64.622 62.300 0.005 0.000 1.014 142 V CB -0.977 30.847 31.823 0.002 0.000 0.645 142 V HN 0.929 nan 8.190 nan 0.000 0.447 143 Q N -0.632 119.167 119.800 -0.000 0.000 2.297 143 Q HA -0.124 4.218 4.340 0.003 0.000 0.204 143 Q C 2.011 178.010 176.000 -0.002 0.000 0.962 143 Q CA 1.583 57.383 55.803 -0.005 0.000 0.879 143 Q CB -0.265 28.468 28.738 -0.008 0.000 0.947 143 Q HN 0.544 nan 8.270 nan 0.000 0.462 144 M N -0.010 119.593 119.600 0.005 0.000 2.349 144 M HA 0.064 4.546 4.480 0.003 0.000 0.266 144 M C 1.757 178.065 176.300 0.014 0.000 1.076 144 M CA 1.002 56.308 55.300 0.011 0.000 1.126 144 M CB 0.207 32.818 32.600 0.017 0.000 1.392 144 M HN 0.245 nan 8.290 nan 0.000 0.440 145 I N 0.201 120.778 120.570 0.012 0.000 2.867 145 I HA -0.024 4.148 4.170 0.003 0.000 0.265 145 I C 1.162 177.283 176.117 0.006 0.000 1.162 145 I CA -0.114 61.193 61.300 0.012 0.000 1.471 145 I CB 0.045 38.052 38.000 0.011 0.000 1.123 145 I HN 0.307 nan 8.210 nan 0.000 0.440 146 M N 1.979 121.580 119.600 0.001 0.000 2.327 146 M HA 0.116 4.598 4.480 0.003 0.000 0.353 146 M C -2.007 174.291 176.300 -0.004 0.000 1.539 146 M CA -0.969 54.328 55.300 -0.004 0.000 1.039 146 M CB -0.246 32.349 32.600 -0.009 0.000 1.967 146 M HN -0.240 nan 8.290 nan 0.000 0.459 147 P HA -0.126 nan 4.420 nan 0.000 0.228 147 P C 0.405 177.701 177.300 -0.007 0.000 1.151 147 P CA 1.151 64.251 63.100 -0.000 0.000 0.770 147 P CB -0.223 31.477 31.700 0.000 0.000 0.786 148 N N -0.986 117.705 118.700 -0.015 0.000 2.370 148 N HA 0.013 4.755 4.740 0.003 0.000 0.198 148 N C 1.595 177.090 175.510 -0.026 0.000 1.156 148 N CA 0.586 53.622 53.050 -0.024 0.000 0.839 148 N CB -1.069 37.400 38.487 -0.031 0.000 0.989 148 N HN 0.054 nan 8.380 nan 0.000 0.468 149 G N 0.978 109.767 108.800 -0.018 0.000 2.421 149 G HA2 -0.172 3.790 3.960 0.003 0.000 0.216 149 G HA3 -0.172 3.790 3.960 0.003 0.000 0.216 149 G C 1.621 176.505 174.900 -0.026 0.000 1.171 149 G CA 1.189 46.277 45.100 -0.019 0.000 0.775 149 G HN 0.509 nan 8.290 nan 0.000 0.543 150 A N 1.306 124.112 122.820 -0.023 0.000 1.858 150 A HA 0.253 4.575 4.320 0.003 0.000 0.216 150 A C 2.869 180.429 177.584 -0.040 0.000 1.190 150 A CA 2.463 54.482 52.037 -0.030 0.000 0.617 150 A CB -1.034 17.953 19.000 -0.021 0.000 0.827 150 A HN 0.872 nan 8.150 nan 0.000 0.443 151 A N -0.109 122.688 122.820 -0.038 0.000 1.892 151 A HA 0.051 4.373 4.320 0.003 0.000 0.218 151 A C 2.530 180.071 177.584 -0.073 0.000 1.188 151 A CA 2.567 54.573 52.037 -0.052 0.000 0.631 151 A CB -1.141 17.831 19.000 -0.047 0.000 0.822 151 A HN 1.158 nan 8.150 nan 0.000 0.447 152 A N -0.789 121.993 122.820 -0.064 0.000 1.902 152 A HA -0.001 4.321 4.320 0.003 0.000 0.217 152 A C 2.251 179.789 177.584 -0.076 0.000 1.181 152 A CA 1.769 53.764 52.037 -0.071 0.000 0.623 152 A CB -1.012 17.956 19.000 -0.055 0.000 0.818 152 A HN 0.416 nan 8.150 nan 0.000 0.443 153 V N 0.352 120.228 119.914 -0.063 0.000 2.287 153 V HA -0.302 3.820 4.120 0.003 0.000 0.248 153 V C 2.430 178.475 176.094 -0.082 0.000 1.053 153 V CA 2.256 64.518 62.300 -0.064 0.000 1.027 153 V CB -0.623 31.168 31.823 -0.052 0.000 0.646 153 V HN 0.594 nan 8.190 nan 0.000 0.447 154 I N 0.195 120.713 120.570 -0.086 0.000 2.315 154 I HA -0.110 4.062 4.170 0.003 0.000 0.248 154 I C 2.568 178.589 176.117 -0.160 0.000 1.117 154 I CA 1.452 62.691 61.300 -0.102 0.000 1.404 154 I CB -0.955 37.002 38.000 -0.072 0.000 1.071 154 I HN 0.406 nan 8.210 nan 0.000 0.419 155 G N 1.336 110.030 108.800 -0.177 0.000 2.421 155 G HA2 -0.260 3.701 3.960 0.003 0.000 0.216 155 G HA3 -0.260 3.701 3.960 0.003 0.000 0.216 155 G C 1.652 176.426 174.900 -0.210 0.000 1.171 155 G CA 0.597 45.548 45.100 -0.248 0.000 0.775 155 G HN 0.248 nan 8.290 nan 0.000 0.543 156 L N 0.284 121.420 121.223 -0.144 0.000 2.056 156 L HA 0.001 4.343 4.340 0.003 0.000 0.207 156 L C 2.772 179.573 176.870 -0.115 0.000 1.078 156 L CA 2.339 57.111 54.840 -0.113 0.000 0.749 156 L CB -0.605 41.405 42.059 -0.082 0.000 0.901 156 L HN 0.389 nan 8.230 nan 0.000 0.433 157 Q N -0.598 119.128 119.800 -0.123 0.000 2.020 157 Q HA -0.194 4.148 4.340 0.003 0.000 0.202 157 Q C 2.052 177.945 176.000 -0.180 0.000 0.982 157 Q CA 2.274 58.002 55.803 -0.125 0.000 0.838 157 Q CB -0.142 28.529 28.738 -0.112 0.000 0.899 157 Q HN 0.621 nan 8.270 nan 0.000 0.423 158 L N -1.585 119.490 121.223 -0.246 0.000 2.477 158 L HA 0.242 4.584 4.340 0.003 0.000 0.220 158 L C 1.117 177.861 176.870 -0.210 0.000 1.106 158 L CA 0.494 55.099 54.840 -0.393 0.000 0.851 158 L CB 0.352 42.081 42.059 -0.551 0.000 0.994 158 L HN 0.515 nan 8.230 nan 0.000 0.462 159 G N 0.799 109.501 108.800 -0.163 0.000 2.215 159 G HA2 -0.133 3.829 3.960 0.003 0.000 0.198 159 G HA3 -0.133 3.829 3.960 0.003 0.000 0.198 159 G C 0.149 174.986 174.900 -0.104 0.000 1.047 159 G CA -0.195 44.854 45.100 -0.084 0.000 0.747 159 G HN 0.414 nan 8.290 nan 0.000 0.495 160 A N 0.015 122.590 122.820 -0.410 0.000 2.404 160 A HA 0.742 5.064 4.320 0.003 0.000 0.273 160 A C 1.118 178.531 177.584 -0.285 0.000 1.144 160 A CA 0.115 51.763 52.037 -0.649 0.000 0.806 160 A CB 0.265 18.572 19.000 -1.155 0.000 1.080 160 A HN 0.516 nan 8.150 nan 0.000 0.509 161 R N 2.206 122.619 120.500 -0.144 0.000 2.565 161 R HA 0.238 4.580 4.340 0.003 0.000 0.347 161 R C 0.599 176.867 176.300 -0.054 0.000 1.010 161 R CA 0.589 56.642 56.100 -0.077 0.000 1.126 161 R CB 0.890 31.174 30.300 -0.027 0.000 1.331 161 R HN 0.675 nan 8.270 nan 0.000 0.552 162 A N 1.160 123.942 122.820 -0.063 0.000 2.842 162 A HA 0.534 4.856 4.320 0.003 0.000 0.298 162 A C 0.261 177.807 177.584 -0.064 0.000 1.293 162 A CA -0.043 51.971 52.037 -0.038 0.000 0.959 162 A CB 0.253 19.255 19.000 0.003 0.000 1.119 162 A HN 0.279 nan 8.150 nan 0.000 0.564 163 G N -1.026 107.718 108.800 -0.093 0.000 3.233 163 G HA2 0.159 4.121 3.960 0.003 0.000 0.686 163 G HA3 0.159 4.121 3.960 0.003 0.000 0.686 163 G C -0.965 173.862 174.900 -0.121 0.000 1.153 163 G CA -0.441 44.605 45.100 -0.090 0.000 0.853 163 G HN 0.869 nan 8.290 nan 0.000 0.582 164 V N 4.134 123.981 119.914 -0.111 0.000 2.350 164 V HA 0.727 4.848 4.120 0.003 0.000 0.285 164 V C 0.595 176.640 176.094 -0.082 0.000 1.014 164 V CA -0.270 61.963 62.300 -0.111 0.000 0.831 164 V CB 1.386 33.138 31.823 -0.120 0.000 1.000 164 V HN 0.756 nan 8.190 nan 0.000 0.433 165 M N 3.263 122.820 119.600 -0.071 0.000 2.528 165 M HA 0.577 5.059 4.480 0.003 0.000 0.321 165 M C -0.441 175.825 176.300 -0.056 0.000 1.153 165 M CA -0.304 54.953 55.300 -0.071 0.000 0.951 165 M CB 2.630 35.177 32.600 -0.088 0.000 1.705 165 M HN 0.457 nan 8.290 nan 0.000 0.451 166 T N 2.299 116.815 114.554 -0.063 0.000 3.009 166 T HA 0.450 4.802 4.350 0.003 0.000 0.346 166 T C -2.587 172.083 174.700 -0.050 0.000 1.092 166 T CA -1.130 60.945 62.100 -0.042 0.000 1.080 166 T CB 0.484 69.332 68.868 -0.033 0.000 1.037 166 T HN 0.314 nan 8.240 nan 0.000 0.487 167 P HA 0.441 nan 4.420 nan 0.000 0.280 167 P C -0.765 176.523 177.300 -0.019 0.000 1.244 167 P CA -0.639 62.442 63.100 -0.031 0.000 0.784 167 P CB 0.781 32.525 31.700 0.073 0.000 0.913 168 V N -0.029 119.859 119.914 -0.043 0.000 2.444 168 V HA 0.733 4.854 4.120 0.003 0.000 0.294 168 V C 0.063 176.080 176.094 -0.128 0.000 1.022 168 V CA -0.520 61.752 62.300 -0.048 0.000 0.850 168 V CB 1.476 33.286 31.823 -0.020 0.000 0.992 168 V HN 0.588 nan 8.190 nan 0.000 0.426 169 S N 2.523 118.133 115.700 -0.151 0.000 2.828 169 S HA 0.740 5.212 4.470 0.003 0.000 0.240 169 S C 0.662 175.246 174.600 -0.027 0.000 0.912 169 S CA 0.503 58.492 58.200 -0.351 0.000 1.100 169 S CB 0.445 63.302 63.200 -0.573 0.000 1.271 169 S HN 2.551 nan 8.310 nan 0.000 0.476 170 A N 2.372 125.219 122.820 0.045 0.000 5.195 170 A HA -0.408 3.914 4.320 0.003 0.000 0.339 170 A C 1.325 178.928 177.584 0.032 0.000 1.740 170 A CA 2.114 54.199 52.037 0.080 0.000 0.704 170 A CB -1.821 17.277 19.000 0.163 0.000 1.441 170 A HN 0.648 nan 8.150 nan 0.000 0.397 171 Q N 0.558 120.360 119.800 0.005 0.000 2.444 171 Q HA 0.249 4.591 4.340 0.003 0.000 0.206 171 Q C 1.586 177.628 176.000 0.070 0.000 0.948 171 Q CA 1.087 56.905 55.803 0.024 0.000 0.946 171 Q CB 0.039 28.776 28.738 -0.000 0.000 1.027 171 Q HN 0.983 nan 8.270 nan 0.000 0.513 172 S N -2.729 112.987 115.700 0.027 0.000 2.593 172 S HA 0.211 4.683 4.470 0.003 0.000 0.236 172 S C 1.327 175.925 174.600 -0.003 0.000 0.991 172 S CA -0.352 57.843 58.200 -0.008 0.000 0.963 172 S CB 0.447 63.633 63.200 -0.023 0.000 0.865 172 S HN 0.037 nan 8.310 nan 0.000 0.488 173 S N 1.813 117.517 115.700 0.008 0.000 2.400 173 S HA -0.000 4.472 4.470 0.003 0.000 0.232 173 S C 1.983 176.598 174.600 0.024 0.000 1.025 173 S CA 1.447 59.654 58.200 0.011 0.000 0.993 173 S CB -0.726 62.481 63.200 0.013 0.000 0.808 173 S HN 0.786 nan 8.310 nan 0.000 0.478 174 G N 0.678 109.492 108.800 0.023 0.000 2.403 174 G HA2 -0.087 3.875 3.960 0.003 0.000 0.216 174 G HA3 -0.087 3.875 3.960 0.003 0.000 0.216 174 G C 1.540 176.456 174.900 0.026 0.000 1.154 174 G CA 0.833 45.949 45.100 0.027 0.000 0.784 174 G HN 0.523 nan 8.290 nan 0.000 0.538 175 S N 0.091 115.796 115.700 0.008 0.000 2.357 175 S HA -0.041 4.431 4.470 0.003 0.000 0.221 175 S C 2.052 176.647 174.600 -0.008 0.000 1.031 175 S CA 1.058 59.257 58.200 -0.001 0.000 0.982 175 S CB -0.182 62.993 63.200 -0.040 0.000 0.853 175 S HN 0.548 nan 8.310 nan 0.000 0.458 176 E N 1.234 121.430 120.200 -0.007 0.000 2.153 176 E HA -0.153 4.199 4.350 0.003 0.000 0.194 176 E C 2.131 178.779 176.600 0.079 0.000 0.988 176 E CA 0.863 57.260 56.400 -0.005 0.000 0.811 176 E CB -0.197 29.526 29.700 0.038 0.000 0.746 176 E HN 0.462 nan 8.360 nan 0.000 0.466 177 A N 1.099 123.977 122.820 0.096 0.000 1.892 177 A HA -0.218 4.103 4.320 0.003 0.000 0.218 177 A C 2.119 179.771 177.584 0.113 0.000 1.188 177 A CA 1.591 53.697 52.037 0.116 0.000 0.631 177 A CB -0.637 18.407 19.000 0.073 0.000 0.822 177 A HN 0.317 nan 8.150 nan 0.000 0.447 178 I N -0.625 119.993 120.570 0.079 0.000 2.439 178 I HA -0.176 3.996 4.170 0.003 0.000 0.251 178 I C 2.877 179.037 176.117 0.072 0.000 1.139 178 I CA 0.780 62.132 61.300 0.087 0.000 1.438 178 I CB -0.276 37.780 38.000 0.093 0.000 1.085 178 I HN 0.356 nan 8.210 nan 0.000 0.427 179 A N 0.167 122.982 122.820 -0.007 0.000 1.972 179 A HA -0.220 4.101 4.320 0.003 0.000 0.219 179 A C 2.127 179.712 177.584 0.002 0.000 1.169 179 A CA 1.493 53.489 52.037 -0.067 0.000 0.635 179 A CB -0.745 18.131 19.000 -0.207 0.000 0.810 179 A HN 0.413 nan 8.150 nan 0.000 0.446 180 H N -0.879 118.251 119.070 0.101 0.000 2.502 180 H HA 0.179 4.737 4.556 0.003 0.000 0.283 180 H C 2.430 177.800 175.328 0.070 0.000 1.015 180 H CA 0.989 57.084 56.048 0.079 0.000 1.298 180 H CB -0.190 29.595 29.762 0.039 0.000 1.411 180 H HN 0.539 nan 8.280 nan 0.000 0.556 181 A N 0.477 123.410 122.820 0.189 0.000 1.929 181 A HA -0.157 4.165 4.320 0.003 0.000 0.216 181 A C 2.275 179.937 177.584 0.130 0.000 1.176 181 A CA 0.985 53.104 52.037 0.137 0.000 0.628 181 A CB -0.959 18.121 19.000 0.133 0.000 0.816 181 A HN 0.549 nan 8.150 nan 0.000 0.444 182 W N 0.938 122.214 121.300 -0.041 0.000 2.402 182 W HA -0.110 4.551 4.660 0.003 0.000 0.286 182 W C 2.142 178.597 176.519 -0.107 0.000 1.221 182 W CA 1.590 58.878 57.345 -0.094 0.000 1.257 182 W CB -0.002 29.360 29.460 -0.163 0.000 1.120 182 W HN 0.226 nan 8.180 nan 0.000 0.551 183 R N -0.288 120.155 120.500 -0.096 0.000 2.073 183 R HA -0.154 4.188 4.340 0.003 0.000 0.229 183 R C 2.146 178.317 176.300 -0.215 0.000 1.120 183 R CA 1.545 57.475 56.100 -0.284 0.000 0.967 183 R CB -0.803 29.499 30.300 0.004 0.000 0.862 183 R HN 0.154 nan 8.270 nan 0.000 0.436 184 Q N 1.180 120.932 119.800 -0.080 0.000 2.135 184 Q HA -0.120 4.222 4.340 0.003 0.000 0.204 184 Q C 1.764 177.705 176.000 -0.099 0.000 0.981 184 Q CA 1.553 57.322 55.803 -0.057 0.000 0.856 184 Q CB -0.084 28.649 28.738 -0.009 0.000 0.902 184 Q HN 0.352 nan 8.270 nan 0.000 0.425 185 I N -0.710 119.771 120.570 -0.150 0.000 2.235 185 I HA -0.177 3.995 4.170 0.003 0.000 0.241 185 I C 1.989 177.983 176.117 -0.205 0.000 1.085 185 I CA 1.021 62.231 61.300 -0.150 0.000 1.378 185 I CB -0.214 37.709 38.000 -0.128 0.000 1.076 185 I HN 0.223 nan 8.210 nan 0.000 0.415 186 V N -2.123 117.545 119.914 -0.409 0.000 3.141 186 V HA -0.110 4.012 4.120 0.003 0.000 0.265 186 V C 1.855 177.878 176.094 -0.120 0.000 1.126 186 V CA 1.267 63.360 62.300 -0.345 0.000 1.141 186 V CB -0.528 30.771 31.823 -0.873 0.000 0.743 186 V HN 0.388 nan 8.190 nan 0.000 0.492 187 M N 0.455 119.968 119.600 -0.145 0.000 2.428 187 M HA 0.374 4.856 4.480 0.003 0.000 0.239 187 M C 1.559 177.836 176.300 -0.038 0.000 1.121 187 M CA 0.853 56.119 55.300 -0.056 0.000 1.019 187 M CB 0.564 33.131 32.600 -0.056 0.000 1.485 187 M HN 0.679 nan 8.290 nan 0.000 0.484 188 G N 0.465 109.238 108.800 -0.045 0.000 2.176 188 G HA2 -0.224 3.738 3.960 0.003 0.000 0.253 188 G HA3 -0.224 3.738 3.960 0.003 0.000 0.253 188 G C 0.382 175.269 174.900 -0.021 0.000 0.979 188 G CA 0.394 45.479 45.100 -0.025 0.000 0.641 188 G HN 0.480 nan 8.290 nan 0.000 0.530 189 D N 0.440 120.822 120.400 -0.029 0.000 2.277 189 D HA 0.369 5.011 4.640 0.003 0.000 0.208 189 D C 1.335 177.628 176.300 -0.011 0.000 0.962 189 D CA 1.526 55.515 54.000 -0.019 0.000 0.865 189 D CB 0.357 41.143 40.800 -0.023 0.000 0.939 189 D HN 0.929 nan 8.370 nan 0.000 0.510 190 A N -0.002 122.808 122.820 -0.017 0.000 2.602 190 A HA 0.391 4.713 4.320 0.003 0.000 0.290 190 A C -0.670 176.898 177.584 -0.026 0.000 1.114 190 A CA -0.611 51.424 52.037 -0.003 0.000 0.683 190 A CB 1.490 20.501 19.000 0.019 0.000 1.281 190 A HN -0.252 nan 8.150 nan 0.000 0.416 191 D N -0.933 119.437 120.400 -0.050 0.000 2.455 191 D HA 0.281 4.923 4.640 0.003 0.000 0.228 191 D C -0.022 176.143 176.300 -0.225 0.000 1.070 191 D CA 1.090 55.009 54.000 -0.135 0.000 0.881 191 D CB 1.405 42.092 40.800 -0.188 0.000 1.087 191 D HN 0.426 nan 8.370 nan 0.000 0.498 192 V N -0.244 119.572 119.914 -0.162 0.000 2.971 192 V HA 0.788 4.910 4.120 0.003 0.000 0.309 192 V C -1.911 174.292 176.094 0.182 0.000 1.130 192 V CA -0.647 61.588 62.300 -0.109 0.000 0.964 192 V CB 2.091 33.707 31.823 -0.346 0.000 1.029 192 V HN 0.097 nan 8.190 nan 0.000 0.427 193 A N 4.492 127.447 122.820 0.225 0.000 2.540 193 A HA 0.756 5.078 4.320 0.003 0.000 0.297 193 A C -1.448 176.334 177.584 0.330 0.000 1.056 193 A CA -0.429 51.808 52.037 0.334 0.000 0.700 193 A CB 1.896 21.002 19.000 0.176 0.000 1.280 193 A HN 1.163 nan 8.150 nan 0.000 0.398 194 V N 1.718 121.880 119.914 0.414 0.000 2.432 194 V HA 0.480 4.602 4.120 0.003 0.000 0.271 194 V C 0.213 176.403 176.094 0.160 0.000 1.046 194 V CA -0.059 62.416 62.300 0.291 0.000 0.945 194 V CB 0.218 32.239 31.823 0.330 0.000 0.992 194 V HN 1.304 nan 8.190 nan 0.000 0.471 195 C N 2.798 122.179 119.300 0.134 0.000 2.994 195 C HA 1.092 5.554 4.460 0.003 0.000 0.305 195 C C 0.327 175.367 174.990 0.084 0.000 1.251 195 C CA -0.051 59.028 59.018 0.101 0.000 1.478 195 C CB 0.965 28.771 27.740 0.111 0.000 1.922 195 C HN 1.299 nan 8.230 nan 0.000 0.472 196 G N 0.285 109.125 108.800 0.066 0.000 2.404 196 G HA2 0.673 4.635 3.960 0.003 0.000 0.253 196 G HA3 0.673 4.635 3.960 0.003 0.000 0.253 196 G C -0.717 174.208 174.900 0.041 0.000 1.253 196 G CA 0.296 45.428 45.100 0.053 0.000 0.917 196 G HN 2.050 nan 8.290 nan 0.000 0.480 197 G N -1.177 107.642 108.800 0.033 0.000 2.696 197 G HA2 0.853 4.815 3.960 0.003 0.000 0.295 197 G HA3 0.853 4.815 3.960 0.003 0.000 0.295 197 G C -0.741 174.175 174.900 0.027 0.000 1.398 197 G CA 0.392 45.509 45.100 0.029 0.000 0.920 197 G HN 1.877 nan 8.290 nan 0.000 0.492 198 V N -1.681 118.249 119.914 0.026 0.000 3.046 198 V HA 1.027 5.149 4.120 0.003 0.000 0.316 198 V C -0.680 175.444 176.094 0.050 0.000 1.104 198 V CA -1.115 61.203 62.300 0.030 0.000 1.006 198 V CB 1.962 33.791 31.823 0.009 0.000 1.058 198 V HN 0.921 nan 8.190 nan 0.000 0.440 199 E N -0.122 120.126 120.200 0.080 0.000 2.416 199 E HA 0.672 5.024 4.350 0.003 0.000 0.280 199 E C -0.276 176.434 176.600 0.184 0.000 1.055 199 E CA 0.230 56.688 56.400 0.096 0.000 0.825 199 E CB 1.708 31.445 29.700 0.061 0.000 1.312 199 E HN 1.239 nan 8.360 nan 0.000 0.452 200 G N 1.122 110.004 108.800 0.136 0.000 2.535 200 G HA2 0.625 4.587 3.960 0.003 0.000 0.303 200 G HA3 0.625 4.587 3.960 0.003 0.000 0.303 200 G C -2.233 172.623 174.900 -0.074 0.000 1.237 200 G CA -1.169 43.999 45.100 0.114 0.000 0.986 200 G HN 0.446 nan 8.290 nan 0.000 0.494 201 P HA 0.312 nan 4.420 nan 0.000 0.276 201 P C -0.163 177.026 177.300 -0.186 0.000 1.252 201 P CA -0.526 62.443 63.100 -0.219 0.000 0.802 201 P CB 1.268 32.738 31.700 -0.384 0.000 1.035 202 I N 1.288 121.807 120.570 -0.084 0.000 2.683 202 I HA 0.033 4.205 4.170 0.003 0.000 0.286 202 I C 1.281 177.413 176.117 0.024 0.000 1.175 202 I CA 1.102 62.323 61.300 -0.132 0.000 1.429 202 I CB -0.086 37.901 38.000 -0.022 0.000 1.371 202 I HN 0.262 nan 8.210 nan 0.000 0.569 203 E N 3.471 123.578 120.200 -0.155 0.000 2.446 203 E HA 0.455 4.807 4.350 0.003 0.000 0.276 203 E C 0.347 176.622 176.600 -0.541 0.000 0.969 203 E CA -0.508 55.629 56.400 -0.438 0.000 0.800 203 E CB 1.860 31.350 29.700 -0.351 0.000 1.341 203 E HN 0.507 nan 8.360 nan 0.000 0.460 204 A N 1.466 123.677 122.820 -1.015 0.000 1.851 204 A HA -0.176 4.146 4.320 0.003 0.000 0.216 204 A C 1.874 179.295 177.584 -0.272 0.000 1.195 204 A CA 1.354 53.072 52.037 -0.531 0.000 0.622 204 A CB -0.550 18.199 19.000 -0.419 0.000 0.831 204 A HN 0.497 nan 8.150 nan 0.000 0.444 205 L N 0.165 121.217 121.223 -0.285 0.000 2.012 205 L HA -0.104 4.238 4.340 0.003 0.000 0.210 205 L C -0.554 176.271 176.870 -0.075 0.000 1.073 205 L CA 2.586 57.304 54.840 -0.203 0.000 0.748 205 L CB -2.111 39.839 42.059 -0.182 0.000 0.891 205 L HN 0.195 nan 8.230 nan 0.000 0.431 206 P HA -0.109 nan 4.420 nan 0.000 0.218 206 P C 2.031 179.603 177.300 0.454 0.000 1.149 206 P CA 1.246 64.464 63.100 0.196 0.000 0.817 206 P CB 0.138 31.895 31.700 0.095 0.000 0.785 207 I N -0.587 120.184 120.570 0.335 0.000 2.202 207 I HA -0.217 3.955 4.170 0.003 0.000 0.242 207 I C 2.388 178.623 176.117 0.197 0.000 1.091 207 I CA 1.350 62.876 61.300 0.377 0.000 1.368 207 I CB -0.941 37.230 38.000 0.286 0.000 1.058 207 I HN -0.105 nan 8.210 nan 0.000 0.410 208 A N 0.920 123.781 122.820 0.069 0.000 1.892 208 A HA -0.262 4.060 4.320 0.003 0.000 0.218 208 A C 2.531 180.112 177.584 -0.006 0.000 1.188 208 A CA 2.313 54.344 52.037 -0.010 0.000 0.631 208 A CB -1.056 17.871 19.000 -0.121 0.000 0.822 208 A HN 0.449 nan 8.150 nan 0.000 0.447 209 A N -1.682 121.124 122.820 -0.023 0.000 1.933 209 A HA 0.040 4.362 4.320 0.003 0.000 0.218 209 A C 1.934 179.437 177.584 -0.134 0.000 1.175 209 A CA 1.562 53.527 52.037 -0.120 0.000 0.628 209 A CB -0.649 18.224 19.000 -0.211 0.000 0.814 209 A HN 0.470 nan 8.150 nan 0.000 0.444 210 F N 0.043 120.054 119.950 0.102 0.000 2.293 210 F HA -0.003 4.526 4.527 0.003 0.000 0.297 210 F C 2.717 178.505 175.800 -0.019 0.000 1.089 210 F CA 1.222 59.284 58.000 0.102 0.000 1.377 210 F CB -0.286 38.804 39.000 0.151 0.000 1.051 210 F HN 0.110 nan 8.300 nan 0.000 0.511 211 S N -0.416 115.350 115.700 0.111 0.000 2.383 211 S HA -0.132 4.340 4.470 0.003 0.000 0.227 211 S C 1.969 176.576 174.600 0.012 0.000 1.026 211 S CA 0.926 59.136 58.200 0.016 0.000 0.981 211 S CB -0.183 63.024 63.200 0.012 0.000 0.818 211 S HN 0.155 nan 8.310 nan 0.000 0.472 212 M N 0.687 120.292 119.600 0.009 0.000 2.630 212 M HA 0.191 4.673 4.480 0.003 0.000 0.254 212 M C 1.266 177.564 176.300 -0.004 0.000 1.092 212 M CA 0.893 56.187 55.300 -0.009 0.000 1.087 212 M CB -1.107 31.474 32.600 -0.031 0.000 1.453 212 M HN 0.365 nan 8.290 nan 0.000 0.509 213 M N -1.799 117.814 119.600 0.022 0.000 2.441 213 M HA 0.123 4.605 4.480 0.003 0.000 0.244 213 M C 0.544 176.869 176.300 0.041 0.000 1.122 213 M CA 0.093 55.414 55.300 0.034 0.000 1.041 213 M CB 0.381 33.030 32.600 0.082 0.000 1.438 213 M HN 0.135 nan 8.290 nan 0.000 0.484 214 R N -0.068 120.447 120.500 0.024 0.000 3.776 214 R HA -0.188 4.154 4.340 0.003 0.000 0.312 214 R C 0.538 176.841 176.300 0.005 0.000 1.181 214 R CA 0.328 56.428 56.100 0.001 0.000 0.836 214 R CB -1.589 28.711 30.300 0.001 0.000 1.324 214 R HN 0.519 nan 8.270 nan 0.000 0.501 215 A N -0.198 122.641 122.820 0.031 0.000 2.178 215 A HA 0.229 4.551 4.320 0.003 0.000 0.211 215 A C 0.877 178.296 177.584 -0.275 0.000 1.157 215 A CA 0.383 52.463 52.037 0.071 0.000 0.780 215 A CB 0.265 19.507 19.000 0.404 0.000 0.828 215 A HN 0.271 nan 8.150 nan 0.000 0.476 216 M N -0.184 119.168 119.600 -0.413 0.000 2.472 216 M HA 0.334 4.815 4.480 0.003 0.000 0.331 216 M C 0.250 176.338 176.300 -0.354 0.000 1.170 216 M CA -0.413 54.479 55.300 -0.679 0.000 1.009 216 M CB 1.806 33.971 32.600 -0.726 0.000 1.672 216 M HN 0.101 nan 8.290 nan 0.000 0.453 217 S N 0.634 116.137 115.700 -0.329 0.000 2.568 217 S HA 0.180 4.652 4.470 0.003 0.000 0.282 217 S C 0.670 175.185 174.600 -0.142 0.000 1.338 217 S CA 0.032 58.125 58.200 -0.179 0.000 1.045 217 S CB 0.323 63.439 63.200 -0.140 0.000 0.873 217 S HN 0.830 nan 8.310 nan 0.000 0.516 218 T N 1.462 115.963 114.554 -0.089 0.000 3.393 218 T HA 0.309 4.661 4.350 0.003 0.000 0.298 218 T C 0.463 175.139 174.700 -0.040 0.000 1.004 218 T CA -0.479 61.585 62.100 -0.060 0.000 0.956 218 T CB -0.179 68.662 68.868 -0.046 0.000 1.182 218 T HN 0.579 nan 8.240 nan 0.000 0.497 219 R N 1.643 122.117 120.500 -0.042 0.000 4.624 219 R HA 0.219 4.561 4.340 0.003 0.000 0.214 219 R C 0.627 176.915 176.300 -0.021 0.000 2.026 219 R CA -0.023 56.060 56.100 -0.028 0.000 1.676 219 R CB -0.784 29.500 30.300 -0.027 0.000 1.291 219 R HN 0.557 nan 8.270 nan 0.000 0.739 220 N N 0.526 119.215 118.700 -0.018 0.000 2.192 220 N HA -0.215 4.527 4.740 0.003 0.000 0.188 220 N C 0.841 176.350 175.510 -0.002 0.000 1.013 220 N CA 1.524 54.569 53.050 -0.010 0.000 0.863 220 N CB 0.041 38.527 38.487 -0.002 0.000 0.990 220 N HN 0.470 nan 8.380 nan 0.000 0.430 221 D N 0.219 120.619 120.400 -0.001 0.000 2.349 221 D HA -0.041 4.601 4.640 0.003 0.000 0.224 221 D C -0.141 176.162 176.300 0.006 0.000 1.029 221 D CA 0.634 54.637 54.000 0.004 0.000 0.879 221 D CB -0.041 40.761 40.800 0.003 0.000 0.906 221 D HN 0.257 nan 8.370 nan 0.000 0.528 222 E N 0.236 120.437 120.200 0.003 0.000 3.117 222 E HA 0.163 4.515 4.350 0.003 0.000 0.262 222 E C -2.167 174.435 176.600 0.003 0.000 1.202 222 E CA -1.594 54.810 56.400 0.005 0.000 0.853 222 E CB 1.948 31.650 29.700 0.004 0.000 1.426 222 E HN -0.068 nan 8.360 nan 0.000 0.387 223 P HA -0.225 nan 4.420 nan 0.000 0.217 223 P C 0.696 177.994 177.300 -0.003 0.000 1.151 223 P CA 1.350 64.448 63.100 -0.003 0.000 0.849 223 P CB 0.287 31.994 31.700 0.013 0.000 0.787 224 E N -1.215 118.993 120.200 0.012 0.000 2.481 224 E HA 0.015 4.367 4.350 0.003 0.000 0.195 224 E C 1.546 178.154 176.600 0.013 0.000 1.047 224 E CA 0.273 56.683 56.400 0.017 0.000 0.867 224 E CB -0.077 29.640 29.700 0.027 0.000 0.858 224 E HN 0.345 nan 8.360 nan 0.000 0.513 225 R N -0.101 120.403 120.500 0.007 0.000 2.397 225 R HA 0.250 4.592 4.340 0.003 0.000 0.241 225 R C 1.894 178.193 176.300 -0.001 0.000 0.914 225 R CA 0.360 56.464 56.100 0.007 0.000 1.071 225 R CB 0.446 30.750 30.300 0.006 0.000 1.116 225 R HN 0.005 nan 8.270 nan 0.000 0.524 226 A N 1.008 123.822 122.820 -0.011 0.000 1.873 226 A HA -0.045 4.277 4.320 0.003 0.000 0.215 226 A C 1.341 178.910 177.584 -0.025 0.000 1.186 226 A CA 0.970 52.992 52.037 -0.025 0.000 0.616 226 A CB -0.112 18.864 19.000 -0.040 0.000 0.823 226 A HN 0.160 nan 8.150 nan 0.000 0.442 227 S N 0.456 116.145 115.700 -0.020 0.000 2.430 227 S HA 0.403 4.875 4.470 0.003 0.000 0.282 227 S C -0.047 174.550 174.600 -0.005 0.000 1.186 227 S CA -0.464 57.724 58.200 -0.019 0.000 1.060 227 S CB -0.324 62.864 63.200 -0.021 0.000 0.966 227 S HN 0.389 nan 8.310 nan 0.000 0.501 228 R N 4.593 125.091 120.500 -0.004 0.000 2.681 228 R HA 0.262 4.604 4.340 0.003 0.000 0.277 228 R C -3.020 173.299 176.300 0.032 0.000 1.563 228 R CA -1.705 54.416 56.100 0.034 0.000 1.673 228 R CB 0.981 31.301 30.300 0.034 0.000 1.258 228 R HN 0.356 nan 8.270 nan 0.000 0.650 229 P HA -0.002 nan 4.420 nan 0.000 0.263 229 P C -0.207 177.142 177.300 0.082 0.000 1.195 229 P CA 0.336 63.351 63.100 -0.141 0.000 0.762 229 P CB 0.127 31.730 31.700 -0.160 0.000 0.799 230 F N -0.427 119.583 119.950 0.101 0.000 2.571 230 F HA -0.269 4.261 4.527 0.004 0.000 0.515 230 F C 0.840 176.789 175.800 0.249 0.000 0.532 230 F CA 1.194 59.290 58.000 0.159 0.000 1.158 230 F CB -2.269 36.807 39.000 0.127 0.000 1.848 230 F HN 0.284 nan 8.300 nan 0.000 0.266 231 D N 1.240 121.859 120.400 0.364 0.000 2.488 231 D HA 0.103 4.745 4.640 0.003 0.000 0.238 231 D C 1.163 177.505 176.300 0.071 0.000 1.138 231 D CA 0.447 54.534 54.000 0.145 0.000 0.873 231 D CB 0.826 41.672 40.800 0.077 0.000 1.183 231 D HN 0.252 nan 8.370 nan 0.000 0.458 232 K N 1.763 122.168 120.400 0.008 0.000 2.360 232 K HA -0.133 4.188 4.320 0.003 0.000 0.201 232 K C 0.118 176.721 176.600 0.005 0.000 1.046 232 K CA 1.081 57.376 56.287 0.013 0.000 0.940 232 K CB 0.229 32.722 32.500 -0.012 0.000 0.748 232 K HN 0.481 nan 8.250 nan 0.000 0.465 233 D N 0.679 121.077 120.400 -0.004 0.000 2.402 233 D HA -0.014 4.628 4.640 0.003 0.000 0.216 233 D C -0.242 176.055 176.300 -0.005 0.000 1.128 233 D CA -0.018 53.977 54.000 -0.007 0.000 0.833 233 D CB 0.210 41.000 40.800 -0.016 0.000 0.971 233 D HN 0.321 nan 8.370 nan 0.000 0.503 234 R N 1.689 122.190 120.500 0.003 0.000 2.697 234 R HA 0.044 4.386 4.340 0.003 0.000 0.265 234 R C -0.061 176.231 176.300 -0.014 0.000 1.009 234 R CA 0.456 56.552 56.100 -0.007 0.000 1.099 234 R CB 0.246 30.539 30.300 -0.012 0.000 0.965 234 R HN -0.160 nan 8.270 nan 0.000 0.428 235 D N 0.641 121.025 120.400 -0.026 0.000 2.865 235 D HA 0.226 4.868 4.640 0.003 0.000 0.347 235 D C 0.207 176.475 176.300 -0.053 0.000 1.498 235 D CA 0.078 54.059 54.000 -0.032 0.000 0.787 235 D CB 0.335 41.114 40.800 -0.035 0.000 1.190 235 D HN 0.936 nan 8.370 nan 0.000 0.445 236 G N 0.447 109.223 108.800 -0.040 0.000 2.541 236 G HA2 0.146 4.108 3.960 0.003 0.000 0.686 236 G HA3 0.146 4.108 3.960 0.003 0.000 0.686 236 G C -0.438 174.420 174.900 -0.070 0.000 1.286 236 G CA -0.663 44.406 45.100 -0.052 0.000 0.894 236 G HN 0.400 nan 8.290 nan 0.000 0.575 237 F N -0.747 119.139 119.950 -0.107 0.000 2.378 237 F HA 0.813 5.342 4.527 0.003 0.000 0.319 237 F C 0.302 175.986 175.800 -0.193 0.000 1.155 237 F CA -1.279 56.636 58.000 -0.141 0.000 1.157 237 F CB 1.155 40.094 39.000 -0.102 0.000 1.252 237 F HN 0.452 nan 8.300 nan 0.000 0.550 238 V N 2.723 122.672 119.914 0.059 0.000 2.495 238 V HA 0.253 4.375 4.120 0.003 0.000 0.298 238 V C -0.536 175.649 176.094 0.153 0.000 1.031 238 V CA -0.787 61.493 62.300 -0.034 0.000 0.871 238 V CB 1.229 33.036 31.823 -0.026 0.000 0.988 238 V HN 0.627 nan 8.190 nan 0.000 0.432 239 F N 2.870 122.871 119.950 0.085 0.000 2.578 239 F HA 0.518 5.046 4.527 0.003 0.000 0.376 239 F C 1.094 176.895 175.800 0.001 0.000 1.085 239 F CA -0.106 57.941 58.000 0.079 0.000 1.260 239 F CB 0.876 39.893 39.000 0.028 0.000 1.095 239 F HN 0.545 nan 8.300 nan 0.000 0.573 240 G N 4.412 113.366 108.800 0.257 0.000 3.113 240 G HA2 0.309 4.271 3.960 0.003 0.000 0.301 240 G HA3 0.309 4.271 3.960 0.003 0.000 0.301 240 G C -0.908 174.054 174.900 0.104 0.000 1.606 240 G CA -0.703 44.467 45.100 0.116 0.000 1.060 240 G HN 0.552 nan 8.290 nan 0.000 0.540 241 E N 0.607 120.858 120.200 0.085 0.000 2.529 241 E HA 0.366 4.718 4.350 0.003 0.000 0.259 241 E C 0.495 177.157 176.600 0.102 0.000 0.966 241 E CA 0.729 57.185 56.400 0.092 0.000 0.937 241 E CB 1.049 30.827 29.700 0.129 0.000 0.923 241 E HN 0.656 nan 8.360 nan 0.000 0.468 242 A N 2.165 125.041 122.820 0.094 0.000 2.602 242 A HA 0.849 5.170 4.320 0.003 0.000 0.290 242 A C -0.666 176.964 177.584 0.076 0.000 1.114 242 A CA -0.138 51.948 52.037 0.082 0.000 0.683 242 A CB 2.283 21.320 19.000 0.062 0.000 1.281 242 A HN 0.588 nan 8.150 nan 0.000 0.416 243 G N -1.187 107.647 108.800 0.056 0.000 2.746 243 G HA2 0.842 4.804 3.960 0.003 0.000 0.297 243 G HA3 0.842 4.804 3.960 0.003 0.000 0.297 243 G C -0.960 173.956 174.900 0.026 0.000 1.426 243 G CA 0.339 45.462 45.100 0.038 0.000 0.989 243 G HN 2.067 nan 8.290 nan 0.000 0.520 244 A N 1.144 123.977 122.820 0.022 0.000 2.547 244 A HA 0.870 5.192 4.320 0.003 0.000 0.297 244 A C -1.291 176.308 177.584 0.024 0.000 1.056 244 A CA -0.510 51.538 52.037 0.018 0.000 0.688 244 A CB 1.259 20.266 19.000 0.012 0.000 1.282 244 A HN 0.899 nan 8.150 nan 0.000 0.400 245 L N 1.654 122.894 121.223 0.028 0.000 2.376 245 L HA 0.872 5.214 4.340 0.003 0.000 0.258 245 L C -0.355 176.545 176.870 0.049 0.000 1.013 245 L CA -0.798 54.070 54.840 0.048 0.000 0.822 245 L CB 2.449 44.545 42.059 0.061 0.000 1.388 245 L HN 0.981 nan 8.230 nan 0.000 0.413 246 M N 1.175 120.819 119.600 0.073 0.000 2.531 246 M HA 0.612 5.094 4.480 0.003 0.000 0.286 246 M C -1.945 174.418 176.300 0.105 0.000 1.232 246 M CA -0.774 54.569 55.300 0.071 0.000 0.877 246 M CB 2.539 35.177 32.600 0.064 0.000 1.726 246 M HN 0.314 nan 8.290 nan 0.000 0.463 247 L N 4.280 125.555 121.223 0.086 0.000 2.275 247 L HA 0.765 5.107 4.340 0.003 0.000 0.288 247 L C -0.954 175.964 176.870 0.079 0.000 1.046 247 L CA -0.595 54.303 54.840 0.098 0.000 0.805 247 L CB 1.228 43.312 42.059 0.041 0.000 1.193 247 L HN 0.807 nan 8.230 nan 0.000 0.426 248 I N 2.405 123.036 120.570 0.101 0.000 2.689 248 I HA 0.834 5.006 4.170 0.003 0.000 0.299 248 I C -1.193 174.961 176.117 0.063 0.000 1.059 248 I CA -0.410 60.944 61.300 0.091 0.000 1.055 248 I CB 2.259 40.332 38.000 0.121 0.000 1.243 248 I HN 0.810 nan 8.210 nan 0.000 0.425 249 E N 2.404 122.635 120.200 0.051 0.000 2.423 249 E HA 0.312 4.664 4.350 0.003 0.000 0.280 249 E C -1.020 175.612 176.600 0.054 0.000 1.030 249 E CA -0.990 55.417 56.400 0.012 0.000 0.812 249 E CB 1.406 31.113 29.700 0.011 0.000 1.313 249 E HN 0.763 nan 8.360 nan 0.000 0.456 250 T N -1.783 112.797 114.554 0.044 0.000 2.906 250 T HA -0.045 4.307 4.350 0.003 0.000 0.320 250 T C 0.913 175.681 174.700 0.113 0.000 1.088 250 T CA 0.298 62.447 62.100 0.081 0.000 1.120 250 T CB 1.021 69.934 68.868 0.075 0.000 1.000 250 T HN 0.725 nan 8.240 nan 0.000 0.550 251 E N 0.281 120.552 120.200 0.117 0.000 2.333 251 E HA -0.175 4.177 4.350 0.003 0.000 0.198 251 E C 1.841 178.505 176.600 0.106 0.000 1.007 251 E CA 0.899 57.375 56.400 0.127 0.000 0.845 251 E CB 0.064 29.865 29.700 0.168 0.000 0.766 251 E HN 0.878 nan 8.360 nan 0.000 0.507 252 E N -0.420 119.841 120.200 0.102 0.000 2.190 252 E HA -0.165 4.187 4.350 0.003 0.000 0.191 252 E C 1.955 178.600 176.600 0.076 0.000 0.978 252 E CA 0.240 56.687 56.400 0.079 0.000 0.839 252 E CB -0.096 29.648 29.700 0.073 0.000 0.787 252 E HN 0.405 nan 8.360 nan 0.000 0.473 253 H N 0.131 119.206 119.070 0.008 0.000 2.389 253 H HA -0.026 4.532 4.556 0.003 0.000 0.299 253 H C 1.717 177.027 175.328 -0.030 0.000 1.081 253 H CA 1.555 57.597 56.048 -0.010 0.000 1.345 253 H CB 0.299 30.056 29.762 -0.008 0.000 1.393 253 H HN 0.261 nan 8.280 nan 0.000 0.520 254 A N 1.443 124.296 122.820 0.054 0.000 1.872 254 A HA -0.094 4.228 4.320 0.003 0.000 0.214 254 A C 2.448 179.991 177.584 -0.068 0.000 1.187 254 A CA 0.937 52.958 52.037 -0.026 0.000 0.614 254 A CB -0.364 18.628 19.000 -0.015 0.000 0.826 254 A HN 0.219 nan 8.150 nan 0.000 0.442 255 K N 0.001 120.386 120.400 -0.025 0.000 2.015 255 K HA -0.230 4.092 4.320 0.003 0.000 0.216 255 K C 2.264 178.833 176.600 -0.053 0.000 1.052 255 K CA 1.659 57.935 56.287 -0.019 0.000 0.937 255 K CB -0.610 31.902 32.500 0.020 0.000 0.719 255 K HN 0.382 nan 8.250 nan 0.000 0.446 256 A N 2.076 124.851 122.820 -0.075 0.000 1.869 256 A HA -0.234 4.087 4.320 0.003 0.000 0.218 256 A C 1.906 179.414 177.584 -0.127 0.000 1.203 256 A CA 2.377 54.352 52.037 -0.103 0.000 0.638 256 A CB -0.672 18.243 19.000 -0.141 0.000 0.831 256 A HN 0.599 nan 8.150 nan 0.000 0.450 257 R N -0.495 119.896 120.500 -0.183 0.000 2.363 257 R HA 0.341 4.683 4.340 0.003 0.000 0.236 257 R C 0.877 177.099 176.300 -0.130 0.000 0.966 257 R CA 0.511 56.507 56.100 -0.173 0.000 1.100 257 R CB -1.023 29.133 30.300 -0.240 0.000 1.125 257 R HN 0.845 nan 8.270 nan 0.000 0.514 258 G N 0.720 109.458 108.800 -0.103 0.000 2.371 258 G HA2 -0.291 3.671 3.960 0.003 0.000 0.299 258 G HA3 -0.291 3.671 3.960 0.003 0.000 0.299 258 G C 0.061 174.901 174.900 -0.100 0.000 1.014 258 G CA 0.298 45.348 45.100 -0.084 0.000 1.097 258 G HN 0.690 nan 8.290 nan 0.000 0.512 259 A N -0.074 122.678 122.820 -0.114 0.000 2.292 259 A HA 0.773 5.095 4.320 0.003 0.000 0.319 259 A C 0.359 177.852 177.584 -0.152 0.000 1.206 259 A CA -0.408 51.551 52.037 -0.130 0.000 0.835 259 A CB 1.012 19.933 19.000 -0.131 0.000 1.164 259 A HN 0.797 nan 8.150 nan 0.000 0.505 260 K N 3.845 124.148 120.400 -0.162 0.000 2.267 260 K HA 0.488 4.810 4.320 0.003 0.000 0.282 260 K C -2.835 173.594 176.600 -0.285 0.000 1.078 260 K CA -1.989 54.166 56.287 -0.220 0.000 0.903 260 K CB 0.460 32.872 32.500 -0.146 0.000 1.111 260 K HN 0.327 nan 8.250 nan 0.000 0.475 261 P HA 0.049 nan 4.420 nan 0.000 0.271 261 P C 0.027 177.150 177.300 -0.294 0.000 1.216 261 P CA -0.112 62.722 63.100 -0.443 0.000 0.771 261 P CB 0.679 31.907 31.700 -0.786 0.000 0.864 262 L N 1.176 122.319 121.223 -0.133 0.000 2.249 262 L HA 0.306 4.648 4.340 0.003 0.000 0.207 262 L C 1.124 177.993 176.870 -0.002 0.000 1.090 262 L CA 0.742 55.538 54.840 -0.074 0.000 0.802 262 L CB -0.314 41.695 42.059 -0.084 0.000 0.947 262 L HN 0.433 nan 8.230 nan 0.000 0.453 263 A N -0.298 122.554 122.820 0.054 0.000 2.493 263 A HA 0.713 5.035 4.320 0.003 0.000 0.300 263 A C -1.209 176.503 177.584 0.212 0.000 1.152 263 A CA -0.726 51.403 52.037 0.154 0.000 0.643 263 A CB 1.065 20.156 19.000 0.151 0.000 1.316 263 A HN 0.043 nan 8.150 nan 0.000 0.469 264 R N -0.508 120.141 120.500 0.248 0.000 2.637 264 R HA 0.614 4.956 4.340 0.003 0.000 0.291 264 R C -1.441 174.932 176.300 0.121 0.000 0.963 264 R CA -0.759 55.463 56.100 0.203 0.000 0.901 264 R CB 1.858 32.274 30.300 0.194 0.000 1.160 264 R HN 0.449 nan 8.270 nan 0.000 0.457 265 L N 4.318 125.537 121.223 -0.007 0.000 2.255 265 L HA 0.268 4.609 4.340 0.003 0.000 0.289 265 L C -0.052 176.654 176.870 -0.273 0.000 1.046 265 L CA 0.147 54.772 54.840 -0.358 0.000 0.816 265 L CB 0.828 42.727 42.059 -0.267 0.000 1.197 265 L HN 0.773 nan 8.230 nan 0.000 0.427 266 L N 4.265 125.245 121.223 -0.406 0.000 2.357 266 L HA 0.528 4.870 4.340 0.003 0.000 0.211 266 L C 0.987 177.583 176.870 -0.455 0.000 1.075 266 L CA 0.449 55.151 54.840 -0.229 0.000 0.830 266 L CB -0.044 41.962 42.059 -0.089 0.000 0.996 266 L HN 0.762 nan 8.230 nan 0.000 0.467 267 G N -0.615 107.650 108.800 -0.891 0.000 2.547 267 G HA2 0.651 4.613 3.960 0.003 0.000 0.291 267 G HA3 0.651 4.613 3.960 0.003 0.000 0.291 267 G C -2.184 172.028 174.900 -1.147 0.000 1.471 267 G CA 0.085 44.445 45.100 -1.233 0.000 0.798 267 G HN 0.039 nan 8.290 nan 0.000 0.504 268 A N -0.765 121.404 122.820 -1.085 0.000 2.455 268 A HA 0.933 5.255 4.320 0.003 0.000 0.300 268 A C -0.082 177.325 177.584 -0.295 0.000 1.040 268 A CA -0.020 51.653 52.037 -0.606 0.000 0.697 268 A CB 1.908 20.581 19.000 -0.545 0.000 1.265 268 A HN 2.051 nan 8.150 nan 0.000 0.407 269 G N 0.946 109.633 108.800 -0.187 0.000 2.544 269 G HA2 0.609 4.571 3.960 0.003 0.000 0.313 269 G HA3 0.609 4.571 3.960 0.003 0.000 0.313 269 G C -0.991 173.882 174.900 -0.045 0.000 1.316 269 G CA -0.384 44.665 45.100 -0.085 0.000 0.944 269 G HN 0.646 nan 8.290 nan 0.000 0.489 270 I N 2.625 123.188 120.570 -0.011 0.000 2.468 270 I HA 0.396 4.568 4.170 0.003 0.000 0.284 270 I C 0.259 176.411 176.117 0.059 0.000 1.038 270 I CA -0.609 60.705 61.300 0.023 0.000 1.083 270 I CB 2.246 40.247 38.000 0.002 0.000 1.223 270 I HN 0.633 nan 8.210 nan 0.000 0.443 271 T N 1.641 116.244 114.554 0.081 0.000 2.858 271 T HA 0.826 5.178 4.350 0.003 0.000 0.285 271 T C -0.270 174.489 174.700 0.098 0.000 1.052 271 T CA -0.726 61.420 62.100 0.077 0.000 1.009 271 T CB 2.067 70.968 68.868 0.054 0.000 1.241 271 T HN 0.519 nan 8.240 nan 0.000 0.542 272 S N -0.712 115.029 115.700 0.069 0.000 2.618 272 S HA 0.557 5.029 4.470 0.003 0.000 0.277 272 S C -0.442 174.171 174.600 0.020 0.000 1.138 272 S CA -0.792 57.437 58.200 0.048 0.000 0.844 272 S CB 1.870 65.102 63.200 0.053 0.000 1.127 272 S HN 0.630 nan 8.310 nan 0.000 0.474 273 D N 0.905 121.311 120.400 0.010 0.000 2.216 273 D HA 0.273 4.915 4.640 0.003 0.000 0.208 273 D C 1.363 177.714 176.300 0.084 0.000 0.960 273 D CA 1.421 55.443 54.000 0.037 0.000 0.861 273 D CB -0.443 40.400 40.800 0.071 0.000 0.985 273 D HN 1.112 nan 8.370 nan 0.000 0.493 274 A N -0.162 122.696 122.820 0.064 0.000 2.704 274 A HA -0.266 4.055 4.320 0.003 0.000 0.299 274 A C 0.790 178.450 177.584 0.126 0.000 1.507 274 A CA 1.135 53.209 52.037 0.061 0.000 0.776 274 A CB -2.281 16.746 19.000 0.045 0.000 1.027 274 A HN 0.388 nan 8.150 nan 0.000 0.475 275 F N -1.003 118.939 119.950 -0.013 0.000 2.532 275 F HA 0.416 4.945 4.527 0.003 0.000 0.276 275 F C 0.824 176.663 175.800 0.065 0.000 0.911 275 F CA 1.328 59.338 58.000 0.017 0.000 1.196 275 F CB 0.469 39.478 39.000 0.015 0.000 1.087 275 F HN 0.567 nan 8.300 nan 0.000 0.775 276 H N -0.009 118.920 119.070 -0.234 0.000 3.042 276 H HA 0.291 4.848 4.556 0.003 0.000 0.346 276 H C 0.366 175.617 175.328 -0.130 0.000 1.294 276 H CA -0.453 55.390 56.048 -0.341 0.000 1.141 276 H CB 1.792 31.262 29.762 -0.486 0.000 1.872 276 H HN -0.001 nan 8.280 nan 0.000 0.541 277 M N 2.497 121.894 119.600 -0.338 0.000 2.319 277 M HA -0.060 4.422 4.480 0.003 0.000 0.265 277 M C 1.673 177.936 176.300 -0.062 0.000 1.068 277 M CA 1.363 56.559 55.300 -0.173 0.000 1.118 277 M CB -0.388 32.054 32.600 -0.265 0.000 1.395 277 M HN 0.513 nan 8.290 nan 0.000 0.435 278 V N -4.315 115.648 119.914 0.081 0.000 3.368 278 V HA 0.501 4.623 4.120 0.003 0.000 0.255 278 V C 0.922 177.018 176.094 0.004 0.000 1.466 278 V CA -0.067 62.046 62.300 -0.311 0.000 1.095 278 V CB -0.651 30.697 31.823 -0.791 0.000 0.899 278 V HN 0.106 nan 8.190 nan 0.000 0.440 279 A N 3.855 126.733 122.820 0.096 0.000 2.366 279 A HA 0.712 5.033 4.320 0.003 0.000 0.272 279 A C -2.265 175.481 177.584 0.269 0.000 1.135 279 A CA -1.346 50.722 52.037 0.052 0.000 0.804 279 A CB -0.345 18.504 19.000 -0.251 0.000 1.064 279 A HN 0.435 nan 8.150 nan 0.000 0.499 280 P HA 0.220 nan 4.420 nan 0.000 0.271 280 P C -0.093 177.123 177.300 -0.140 0.000 1.216 280 P CA 0.104 63.227 63.100 0.038 0.000 0.771 280 P CB 0.791 32.469 31.700 -0.035 0.000 0.864 281 A N 3.540 126.138 122.820 -0.371 0.000 2.545 281 A HA 0.278 4.600 4.320 0.003 0.000 0.253 281 A C 1.753 179.001 177.584 -0.559 0.000 1.074 281 A CA 0.354 51.833 52.037 -0.930 0.000 0.760 281 A CB -0.464 18.139 19.000 -0.661 0.000 1.005 281 A HN 0.623 nan 8.150 nan 0.000 0.506 282 A N 2.582 125.068 122.820 -0.557 0.000 2.024 282 A HA -0.164 4.157 4.320 0.003 0.000 0.220 282 A C 1.597 179.055 177.584 -0.210 0.000 1.164 282 A CA 1.942 53.815 52.037 -0.272 0.000 0.643 282 A CB -0.400 18.488 19.000 -0.187 0.000 0.806 282 A HN 0.917 nan 8.150 nan 0.000 0.451 283 D N -2.073 118.180 120.400 -0.245 0.000 2.323 283 D HA 0.175 4.817 4.640 0.003 0.000 0.209 283 D C 1.362 177.576 176.300 -0.143 0.000 0.973 283 D CA 1.070 54.973 54.000 -0.161 0.000 0.874 283 D CB -0.875 39.839 40.800 -0.145 0.000 0.930 283 D HN 0.771 nan 8.370 nan 0.000 0.521 284 G N 0.227 108.914 108.800 -0.188 0.000 2.196 284 G HA2 -0.375 3.587 3.960 0.003 0.000 0.268 284 G HA3 -0.375 3.587 3.960 0.003 0.000 0.268 284 G C 1.223 176.041 174.900 -0.136 0.000 0.975 284 G CA 0.762 45.755 45.100 -0.178 0.000 0.648 284 G HN 0.365 nan 8.290 nan 0.000 0.538 285 V N 0.640 120.484 119.914 -0.117 0.000 2.233 285 V HA -0.229 3.893 4.120 0.003 0.000 0.247 285 V C 2.963 179.019 176.094 -0.065 0.000 1.050 285 V CA 2.596 64.851 62.300 -0.076 0.000 1.010 285 V CB -0.444 31.340 31.823 -0.064 0.000 0.637 285 V HN 0.440 nan 8.190 nan 0.000 0.444 286 R N 0.307 120.762 120.500 -0.076 0.000 2.092 286 R HA 0.002 4.344 4.340 0.003 0.000 0.231 286 R C 2.333 178.607 176.300 -0.043 0.000 1.119 286 R CA 1.517 57.588 56.100 -0.048 0.000 0.970 286 R CB -1.407 28.867 30.300 -0.042 0.000 0.864 286 R HN 0.554 nan 8.270 nan 0.000 0.440 287 A N 0.347 123.100 122.820 -0.111 0.000 1.969 287 A HA -0.027 4.294 4.320 0.003 0.000 0.218 287 A C 2.329 179.920 177.584 0.012 0.000 1.169 287 A CA 1.691 53.664 52.037 -0.107 0.000 0.635 287 A CB -0.821 17.880 19.000 -0.498 0.000 0.810 287 A HN 0.407 nan 8.150 nan 0.000 0.445 288 G N -0.775 108.009 108.800 -0.026 0.000 2.464 288 G HA2 -0.123 3.839 3.960 0.003 0.000 0.217 288 G HA3 -0.123 3.839 3.960 0.003 0.000 0.217 288 G C 1.617 176.523 174.900 0.010 0.000 1.138 288 G CA 0.929 46.031 45.100 0.003 0.000 0.793 288 G HN 0.501 nan 8.290 nan 0.000 0.539 289 R N 1.208 121.710 120.500 0.003 0.000 2.115 289 R HA 0.187 4.528 4.340 0.003 0.000 0.230 289 R C 2.578 178.889 176.300 0.018 0.000 1.111 289 R CA 1.633 57.738 56.100 0.008 0.000 0.976 289 R CB -0.692 29.612 30.300 0.006 0.000 0.870 289 R HN 0.192 nan 8.270 nan 0.000 0.445 290 A N 0.355 123.197 122.820 0.037 0.000 1.873 290 A HA -0.114 4.208 4.320 0.003 0.000 0.215 290 A C 2.217 179.812 177.584 0.017 0.000 1.186 290 A CA 1.661 53.722 52.037 0.041 0.000 0.616 290 A CB -0.457 18.598 19.000 0.092 0.000 0.823 290 A HN 0.391 nan 8.150 nan 0.000 0.442 291 M N -0.650 118.971 119.600 0.035 0.000 2.080 291 M HA -0.156 4.326 4.480 0.003 0.000 0.260 291 M C 2.260 178.552 176.300 -0.015 0.000 1.068 291 M CA 2.119 57.424 55.300 0.010 0.000 1.109 291 M CB -0.898 31.721 32.600 0.030 0.000 1.342 291 M HN 0.427 nan 8.290 nan 0.000 0.405 292 T N -0.255 114.296 114.554 -0.006 0.000 2.720 292 T HA -0.194 4.158 4.350 0.003 0.000 0.268 292 T C 1.813 176.502 174.700 -0.019 0.000 1.037 292 T CA 1.695 63.788 62.100 -0.012 0.000 1.144 292 T CB -0.328 68.538 68.868 -0.003 0.000 0.864 292 T HN 0.233 nan 8.240 nan 0.000 0.444 293 R N 1.731 122.222 120.500 -0.015 0.000 2.092 293 R HA -0.031 4.311 4.340 0.003 0.000 0.231 293 R C 2.573 178.840 176.300 -0.055 0.000 1.119 293 R CA 1.890 57.980 56.100 -0.016 0.000 0.970 293 R CB -0.843 29.456 30.300 -0.001 0.000 0.864 293 R HN 0.477 nan 8.270 nan 0.000 0.440 294 S N -0.033 115.609 115.700 -0.096 0.000 2.399 294 S HA -0.104 4.368 4.470 0.003 0.000 0.231 294 S C 2.020 176.527 174.600 -0.155 0.000 1.022 294 S CA 1.204 59.294 58.200 -0.182 0.000 0.983 294 S CB -0.491 62.592 63.200 -0.196 0.000 0.803 294 S HN 0.364 nan 8.310 nan 0.000 0.480 295 L N 1.140 122.306 121.223 -0.095 0.000 2.027 295 L HA -0.062 4.280 4.340 0.003 0.000 0.206 295 L C 2.949 179.786 176.870 -0.055 0.000 1.074 295 L CA 1.739 56.530 54.840 -0.082 0.000 0.745 295 L CB -0.719 41.303 42.059 -0.062 0.000 0.898 295 L HN 0.414 nan 8.230 nan 0.000 0.433 296 E N 0.337 120.523 120.200 -0.022 0.000 2.085 296 E HA -0.224 4.128 4.350 0.003 0.000 0.194 296 E C 2.311 178.952 176.600 0.068 0.000 0.994 296 E CA 1.102 57.513 56.400 0.018 0.000 0.801 296 E CB -0.148 29.572 29.700 0.032 0.000 0.743 296 E HN 0.463 nan 8.360 nan 0.000 0.453 297 L N 0.366 121.637 121.223 0.080 0.000 2.156 297 L HA -0.077 4.265 4.340 0.003 0.000 0.208 297 L C 2.509 179.497 176.870 0.197 0.000 1.095 297 L CA 0.749 55.721 54.840 0.220 0.000 0.770 297 L CB -0.329 41.823 42.059 0.155 0.000 0.914 297 L HN 0.135 nan 8.230 nan 0.000 0.439 298 A N -0.294 122.538 122.820 0.021 0.000 2.014 298 A HA 0.135 4.456 4.320 0.003 0.000 0.218 298 A C 1.771 179.368 177.584 0.021 0.000 1.163 298 A CA 1.044 53.081 52.037 0.000 0.000 0.652 298 A CB -0.519 18.417 19.000 -0.107 0.000 0.808 298 A HN 0.521 nan 8.150 nan 0.000 0.449 299 G N -1.481 107.324 108.800 0.009 0.000 2.149 299 G HA2 -0.170 3.792 3.960 0.003 0.000 0.235 299 G HA3 -0.170 3.792 3.960 0.003 0.000 0.235 299 G C -0.118 174.732 174.900 -0.083 0.000 1.018 299 G CA 0.292 45.386 45.100 -0.011 0.000 0.728 299 G HN 0.463 nan 8.290 nan 0.000 0.508 300 L N 0.844 121.990 121.223 -0.128 0.000 2.331 300 L HA 0.755 5.096 4.340 0.003 0.000 0.275 300 L C 0.990 177.786 176.870 -0.122 0.000 1.022 300 L CA -0.507 54.212 54.840 -0.202 0.000 0.812 300 L CB 1.957 43.813 42.059 -0.339 0.000 1.257 300 L HN 0.386 nan 8.230 nan 0.000 0.435 301 S N 0.770 116.404 115.700 -0.110 0.000 2.654 301 S HA 0.465 4.937 4.470 0.003 0.000 0.283 301 S C -2.072 172.498 174.600 -0.051 0.000 1.180 301 S CA -1.307 56.857 58.200 -0.061 0.000 1.021 301 S CB 1.760 64.936 63.200 -0.040 0.000 1.018 301 S HN 0.358 nan 8.310 nan 0.000 0.532 302 P HA -0.163 nan 4.420 nan 0.000 0.216 302 P C 1.599 178.898 177.300 -0.001 0.000 1.157 302 P CA 2.360 65.452 63.100 -0.014 0.000 0.880 302 P CB -0.307 31.389 31.700 -0.008 0.000 0.791 303 A N -0.412 122.409 122.820 0.002 0.000 2.024 303 A HA -0.237 4.085 4.320 0.003 0.000 0.220 303 A C 1.988 179.594 177.584 0.036 0.000 1.164 303 A CA 1.936 53.984 52.037 0.018 0.000 0.643 303 A CB -1.351 17.658 19.000 0.015 0.000 0.806 303 A HN 0.136 nan 8.150 nan 0.000 0.451 304 D N -0.207 120.202 120.400 0.015 0.000 2.264 304 D HA -0.040 4.601 4.640 0.003 0.000 0.208 304 D C 0.403 176.788 176.300 0.143 0.000 0.966 304 D CA 0.554 54.580 54.000 0.043 0.000 0.864 304 D CB -0.088 40.632 40.800 -0.133 0.000 0.933 304 D HN 0.264 nan 8.370 nan 0.000 0.499 305 I N 1.956 122.585 120.570 0.098 0.000 2.379 305 I HA -0.001 4.171 4.170 0.003 0.000 0.290 305 I C 1.075 177.280 176.117 0.147 0.000 1.063 305 I CA 0.126 61.507 61.300 0.136 0.000 1.351 305 I CB 1.098 39.139 38.000 0.069 0.000 1.410 305 I HN -0.188 nan 8.210 nan 0.000 0.505 306 D N 3.461 123.986 120.400 0.208 0.000 2.338 306 D HA -0.012 4.630 4.640 0.003 0.000 0.208 306 D C 0.490 176.931 176.300 0.235 0.000 0.997 306 D CA 1.001 55.142 54.000 0.235 0.000 0.880 306 D CB 0.533 41.522 40.800 0.316 0.000 0.980 306 D HN 0.585 nan 8.370 nan 0.000 0.509 307 H N -0.555 118.548 119.070 0.055 0.000 2.895 307 H HA 0.512 5.070 4.556 0.003 0.000 0.373 307 H C -1.666 173.649 175.328 -0.021 0.000 1.174 307 H CA -0.714 55.297 56.048 -0.062 0.000 1.144 307 H CB 1.785 31.398 29.762 -0.249 0.000 1.793 307 H HN -0.360 nan 8.280 nan 0.000 0.551 308 V N 4.830 124.279 119.914 -0.776 0.000 2.462 308 V HA 0.182 4.304 4.120 0.003 0.000 0.288 308 V C -0.300 175.397 176.094 -0.661 0.000 1.020 308 V CA -1.052 60.906 62.300 -0.570 0.000 0.857 308 V CB 1.220 32.914 31.823 -0.216 0.000 1.013 308 V HN 0.831 nan 8.190 nan 0.000 0.431 309 N N 3.988 122.338 118.700 -0.583 0.000 2.399 309 N HA 0.354 5.096 4.740 0.003 0.000 0.259 309 N C 0.076 175.513 175.510 -0.121 0.000 1.160 309 N CA 0.092 53.029 53.050 -0.190 0.000 0.946 309 N CB 1.646 40.114 38.487 -0.033 0.000 1.156 309 N HN 0.807 nan 8.380 nan 0.000 0.489 310 A N 3.009 125.793 122.820 -0.060 0.000 2.340 310 A HA 0.142 4.463 4.320 0.003 0.000 0.268 310 A C 1.136 178.707 177.584 -0.022 0.000 1.100 310 A CA -0.340 51.720 52.037 0.038 0.000 0.803 310 A CB 0.386 19.536 19.000 0.250 0.000 1.043 310 A HN 0.903 nan 8.150 nan 0.000 0.488 311 H N 1.945 120.943 119.070 -0.120 0.000 2.353 311 H HA 0.071 4.629 4.556 0.003 0.000 0.300 311 H C 1.566 176.772 175.328 -0.205 0.000 1.090 311 H CA 1.860 57.777 56.048 -0.218 0.000 1.327 311 H CB -0.326 29.280 29.762 -0.260 0.000 1.383 311 H HN 1.175 nan 8.280 nan 0.000 0.508 312 G N 0.628 109.355 108.800 -0.123 0.000 2.266 312 G HA2 -0.333 3.629 3.960 0.003 0.000 0.269 312 G HA3 -0.333 3.629 3.960 0.003 0.000 0.269 312 G C 1.060 175.721 174.900 -0.399 0.000 0.863 312 G CA 0.864 45.747 45.100 -0.362 0.000 1.268 312 G HN 0.741 nan 8.290 nan 0.000 0.426 313 T N -2.191 112.166 114.554 -0.328 0.000 3.051 313 T HA 0.313 4.665 4.350 0.003 0.000 0.269 313 T C 1.941 176.586 174.700 -0.091 0.000 1.127 313 T CA 1.481 63.432 62.100 -0.249 0.000 1.107 313 T CB -0.058 68.781 68.868 -0.048 0.000 0.898 313 T HN 2.343 nan 8.240 nan 0.000 0.517 314 A N 0.667 123.388 122.820 -0.165 0.000 3.141 314 A HA -0.114 4.208 4.320 0.003 0.000 0.242 314 A C 0.811 178.368 177.584 -0.046 0.000 1.313 314 A CA 0.896 52.861 52.037 -0.120 0.000 1.060 314 A CB -2.826 16.132 19.000 -0.070 0.000 1.153 314 A HN 1.273 nan 8.150 nan 0.000 0.847 315 T N -3.418 111.132 114.554 -0.008 0.000 2.922 315 T HA 0.617 4.969 4.350 0.003 0.000 0.285 315 T C -1.099 173.601 174.700 0.001 0.000 1.005 315 T CA -1.230 60.887 62.100 0.029 0.000 1.061 315 T CB 1.492 70.423 68.868 0.105 0.000 1.007 315 T HN -0.011 nan 8.240 nan 0.000 0.502 316 P HA -0.073 nan 4.420 nan 0.000 0.213 316 P C 1.782 179.093 177.300 0.017 0.000 1.170 316 P CA 1.163 64.271 63.100 0.012 0.000 0.898 316 P CB -0.180 31.529 31.700 0.014 0.000 0.787 317 I N -3.717 116.868 120.570 0.025 0.000 2.500 317 I HA 0.045 4.216 4.170 0.003 0.000 0.252 317 I C 2.119 178.250 176.117 0.023 0.000 1.142 317 I CA 1.704 63.017 61.300 0.021 0.000 1.451 317 I CB -1.374 36.638 38.000 0.020 0.000 1.093 317 I HN -0.155 nan 8.210 nan 0.000 0.430 318 G N 1.433 110.259 108.800 0.043 0.000 2.434 318 G HA2 -0.220 3.742 3.960 0.003 0.000 0.214 318 G HA3 -0.220 3.742 3.960 0.003 0.000 0.214 318 G C 1.134 176.046 174.900 0.020 0.000 1.202 318 G CA 1.139 46.275 45.100 0.060 0.000 0.788 318 G HN 0.377 nan 8.290 nan 0.000 0.539 319 D N 0.886 121.248 120.400 -0.063 0.000 2.178 319 D HA 0.036 4.678 4.640 0.003 0.000 0.202 319 D C 2.698 179.053 176.300 0.093 0.000 0.974 319 D CA 1.053 54.947 54.000 -0.176 0.000 0.841 319 D CB -0.299 40.203 40.800 -0.496 0.000 0.953 319 D HN 0.314 nan 8.370 nan 0.000 0.478 320 A N 0.791 123.652 122.820 0.069 0.000 1.929 320 A HA 0.078 4.400 4.320 0.003 0.000 0.216 320 A C 2.275 179.890 177.584 0.051 0.000 1.176 320 A CA 1.712 53.801 52.037 0.086 0.000 0.628 320 A CB -0.569 18.459 19.000 0.047 0.000 0.816 320 A HN 0.215 nan 8.150 nan 0.000 0.444 321 A N -0.317 122.506 122.820 0.005 0.000 1.930 321 A HA -0.154 4.168 4.320 0.003 0.000 0.217 321 A C 2.007 179.558 177.584 -0.055 0.000 1.175 321 A CA 1.724 53.723 52.037 -0.063 0.000 0.627 321 A CB -0.444 18.483 19.000 -0.120 0.000 0.815 321 A HN 0.657 nan 8.150 nan 0.000 0.443 322 E N -0.214 120.005 120.200 0.032 0.000 2.152 322 E HA -0.011 4.341 4.350 0.003 0.000 0.192 322 E C 2.056 178.759 176.600 0.172 0.000 0.983 322 E CA 0.737 57.211 56.400 0.123 0.000 0.818 322 E CB -0.200 29.694 29.700 0.323 0.000 0.758 322 E HN 0.532 nan 8.360 nan 0.000 0.467 323 A N 1.449 124.392 122.820 0.205 0.000 1.877 323 A HA -0.212 4.110 4.320 0.003 0.000 0.216 323 A C 1.956 179.569 177.584 0.048 0.000 1.186 323 A CA 1.568 53.682 52.037 0.127 0.000 0.620 323 A CB -0.605 18.482 19.000 0.145 0.000 0.822 323 A HN 0.249 nan 8.150 nan 0.000 0.443 324 N N 0.472 119.188 118.700 0.026 0.000 2.120 324 N HA -0.122 4.620 4.740 0.003 0.000 0.188 324 N C 1.890 177.387 175.510 -0.022 0.000 1.024 324 N CA 1.545 54.588 53.050 -0.011 0.000 0.852 324 N CB -0.607 37.857 38.487 -0.038 0.000 1.003 324 N HN 0.470 nan 8.380 nan 0.000 0.424 325 A N 1.144 123.947 122.820 -0.029 0.000 1.908 325 A HA -0.103 4.219 4.320 0.003 0.000 0.218 325 A C 2.292 179.884 177.584 0.012 0.000 1.181 325 A CA 1.065 53.084 52.037 -0.030 0.000 0.627 325 A CB -0.699 18.268 19.000 -0.054 0.000 0.818 325 A HN 0.260 nan 8.150 nan 0.000 0.445 326 I N -1.262 119.326 120.570 0.031 0.000 2.493 326 I HA -0.199 3.973 4.170 0.003 0.000 0.254 326 I C 2.696 178.815 176.117 0.003 0.000 1.160 326 I CA 0.947 62.261 61.300 0.022 0.000 1.445 326 I CB -0.224 37.783 38.000 0.012 0.000 1.086 326 I HN 0.284 nan 8.210 nan 0.000 0.433 327 R N -0.116 120.382 120.500 -0.002 0.000 2.127 327 R HA -0.017 4.325 4.340 0.003 0.000 0.217 327 R C 2.285 178.580 176.300 -0.008 0.000 1.074 327 R CA 0.781 56.877 56.100 -0.006 0.000 0.991 327 R CB -0.187 30.108 30.300 -0.007 0.000 0.895 327 R HN 0.186 nan 8.270 nan 0.000 0.450 328 V N 1.098 121.006 119.914 -0.012 0.000 2.490 328 V HA -0.195 3.927 4.120 0.003 0.000 0.250 328 V C 2.183 178.273 176.094 -0.008 0.000 1.061 328 V CA 1.969 64.260 62.300 -0.014 0.000 1.064 328 V CB -0.479 31.331 31.823 -0.023 0.000 0.670 328 V HN 0.358 nan 8.190 nan 0.000 0.461 329 A N -0.481 122.337 122.820 -0.003 0.000 2.238 329 A HA 0.384 4.706 4.320 0.003 0.000 0.208 329 A C 1.912 179.494 177.584 -0.002 0.000 1.177 329 A CA 0.866 52.904 52.037 0.000 0.000 0.804 329 A CB -0.587 18.419 19.000 0.009 0.000 0.823 329 A HN 1.222 nan 8.150 nan 0.000 0.482 330 G N -2.180 106.618 108.800 -0.003 0.000 2.221 330 G HA2 -0.274 3.687 3.960 0.003 0.000 0.265 330 G HA3 -0.274 3.687 3.960 0.003 0.000 0.265 330 G C 0.366 175.266 174.900 0.000 0.000 1.041 330 G CA 0.338 45.437 45.100 -0.002 0.000 0.807 330 G HN 0.677 nan 8.290 nan 0.000 0.502 331 C N 0.610 119.909 119.300 -0.001 0.000 3.115 331 C HA 0.265 4.726 4.460 0.003 0.000 0.277 331 C C 1.627 176.612 174.990 -0.009 0.000 1.460 331 C CA -0.057 58.960 59.018 -0.001 0.000 1.789 331 C CB -0.206 27.532 27.740 -0.002 0.000 2.674 331 C HN 0.704 nan 8.230 nan 0.000 0.582 332 D N -0.042 120.351 120.400 -0.011 0.000 2.349 332 D HA -0.067 4.575 4.640 0.003 0.000 0.224 332 D C 1.138 177.426 176.300 -0.020 0.000 1.029 332 D CA 0.621 54.607 54.000 -0.023 0.000 0.879 332 D CB -0.040 40.747 40.800 -0.022 0.000 0.906 332 D HN 0.418 nan 8.370 nan 0.000 0.528 333 Q N 0.247 120.045 119.800 -0.003 0.000 2.198 333 Q HA 0.365 4.707 4.340 0.003 0.000 0.209 333 Q C 0.274 176.288 176.000 0.024 0.000 0.848 333 Q CA -0.235 55.574 55.803 0.009 0.000 0.974 333 Q CB 1.256 30.004 28.738 0.017 0.000 1.115 333 Q HN 0.332 nan 8.270 nan 0.000 0.494 334 A N 0.705 123.535 122.820 0.017 0.000 2.279 334 A HA 0.720 5.042 4.320 0.003 0.000 0.303 334 A C -0.132 177.472 177.584 0.034 0.000 1.108 334 A CA -0.293 51.769 52.037 0.042 0.000 0.830 334 A CB 0.622 19.638 19.000 0.026 0.000 1.106 334 A HN 0.230 nan 8.150 nan 0.000 0.493 335 A N 1.063 123.935 122.820 0.087 0.000 2.404 335 A HA 0.519 4.841 4.320 0.003 0.000 0.273 335 A C -0.137 177.519 177.584 0.121 0.000 1.144 335 A CA -0.123 51.965 52.037 0.084 0.000 0.806 335 A CB -0.313 18.750 19.000 0.105 0.000 1.080 335 A HN 0.930 nan 8.150 nan 0.000 0.509 336 V N 3.478 123.409 119.914 0.028 0.000 2.483 336 V HA 0.471 4.592 4.120 0.003 0.000 0.295 336 V C -0.697 175.463 176.094 0.110 0.000 1.035 336 V CA -0.368 61.929 62.300 -0.006 0.000 0.896 336 V CB 1.318 33.028 31.823 -0.189 0.000 0.986 336 V HN 0.804 nan 8.190 nan 0.000 0.447 337 Y N 3.339 123.662 120.300 0.039 0.000 2.457 337 Y HA 0.748 5.299 4.550 0.003 0.000 0.343 337 Y C -0.346 175.591 175.900 0.063 0.000 0.994 337 Y CA -1.246 56.890 58.100 0.060 0.000 1.031 337 Y CB 2.020 40.566 38.460 0.142 0.000 1.246 337 Y HN 0.659 nan 8.280 nan 0.000 0.449 338 A N 7.870 130.376 122.820 -0.523 0.000 2.586 338 A HA 0.522 4.844 4.320 0.003 0.000 0.320 338 A C -2.512 174.629 177.584 -0.738 0.000 1.281 338 A CA -1.694 50.054 52.037 -0.480 0.000 0.775 338 A CB 0.603 19.553 19.000 -0.084 0.000 1.122 338 A HN 0.627 nan 8.150 nan 0.000 0.470 339 P HA -0.181 nan 4.420 nan 0.000 0.220 339 P C 1.136 178.288 177.300 -0.246 0.000 1.144 339 P CA 1.276 64.065 63.100 -0.518 0.000 0.800 339 P CB 0.186 31.735 31.700 -0.252 0.000 0.772 340 K N -0.240 119.998 120.400 -0.270 0.000 2.283 340 K HA -0.069 4.253 4.320 0.003 0.000 0.202 340 K C 2.182 178.711 176.600 -0.118 0.000 1.048 340 K CA 1.478 57.646 56.287 -0.199 0.000 0.948 340 K CB -0.474 31.853 32.500 -0.288 0.000 0.742 340 K HN 0.256 nan 8.250 nan 0.000 0.458 341 S N 0.772 116.401 115.700 -0.117 0.000 2.402 341 S HA -0.200 4.272 4.470 0.003 0.000 0.233 341 S C 1.981 176.576 174.600 -0.008 0.000 1.030 341 S CA 1.310 59.485 58.200 -0.042 0.000 1.003 341 S CB -0.129 63.064 63.200 -0.011 0.000 0.813 341 S HN 0.335 nan 8.310 nan 0.000 0.477 342 A N 0.040 122.857 122.820 -0.005 0.000 2.138 342 A HA 0.609 4.931 4.320 0.003 0.000 0.203 342 A C 1.795 179.396 177.584 0.028 0.000 1.286 342 A CA -0.051 52.003 52.037 0.028 0.000 0.929 342 A CB 0.120 19.158 19.000 0.063 0.000 0.975 342 A HN 0.436 nan 8.150 nan 0.000 0.480 343 L N -0.758 120.472 121.223 0.011 0.000 2.731 343 L HA 0.412 4.754 4.340 0.003 0.000 0.240 343 L C 1.260 178.140 176.870 0.017 0.000 1.120 343 L CA 0.384 55.239 54.840 0.024 0.000 0.913 343 L CB 0.215 42.292 42.059 0.030 0.000 1.213 343 L HN 0.559 nan 8.230 nan 0.000 0.515 344 G N 0.228 109.027 108.800 -0.003 0.000 2.698 344 G HA2 -0.295 3.667 3.960 0.003 0.000 0.233 344 G HA3 -0.295 3.667 3.960 0.003 0.000 0.233 344 G C -0.746 174.166 174.900 0.021 0.000 1.352 344 G CA -0.531 44.588 45.100 0.032 0.000 0.879 344 G HN 0.247 nan 8.290 nan 0.000 0.567 345 H N 0.878 119.945 119.070 -0.006 0.000 2.541 345 H HA 0.605 5.163 4.556 0.004 0.000 0.316 345 H C 1.309 176.626 175.328 -0.018 0.000 1.043 345 H CA -0.021 55.949 56.048 -0.130 0.000 1.232 345 H CB 0.905 30.432 29.762 -0.392 0.000 1.406 345 H HN 0.741 nan 8.280 nan 0.000 0.469 346 S N 5.448 121.285 115.700 0.228 0.000 2.583 346 S HA 0.139 4.611 4.470 0.003 0.000 0.239 346 S C 1.312 175.964 174.600 0.087 0.000 0.966 346 S CA -0.427 57.849 58.200 0.128 0.000 0.973 346 S CB -0.198 63.050 63.200 0.080 0.000 0.794 346 S HN 0.561 nan 8.310 nan 0.000 0.463 347 I N 1.487 122.098 120.570 0.067 0.000 4.906 347 I HA -0.372 3.800 4.170 0.003 0.000 0.038 347 I C 2.207 178.342 176.117 0.031 0.000 0.635 347 I CA 1.849 63.095 61.300 -0.090 0.000 0.215 347 I CB -2.230 35.702 38.000 -0.113 0.000 0.324 347 I HN 0.419 nan 8.210 nan 0.000 0.150 348 G N 0.171 108.984 108.800 0.023 0.000 2.448 348 G HA2 0.053 4.015 3.960 0.003 0.000 0.219 348 G HA3 0.053 4.015 3.960 0.003 0.000 0.219 348 G C 1.489 176.411 174.900 0.037 0.000 1.127 348 G CA 1.933 47.053 45.100 0.033 0.000 0.766 348 G HN 1.033 nan 8.290 nan 0.000 0.552 349 A N -0.250 122.595 122.820 0.042 0.000 2.072 349 A HA 0.316 4.637 4.320 0.003 0.000 0.216 349 A C 2.420 180.021 177.584 0.029 0.000 1.156 349 A CA 1.107 53.167 52.037 0.038 0.000 0.701 349 A CB -0.349 18.678 19.000 0.045 0.000 0.816 349 A HN 0.261 nan 8.150 nan 0.000 0.458 350 V N 0.211 120.147 119.914 0.036 0.000 2.287 350 V HA -0.193 3.929 4.120 0.003 0.000 0.248 350 V C 2.539 178.615 176.094 -0.030 0.000 1.053 350 V CA 2.491 64.790 62.300 -0.002 0.000 1.027 350 V CB -0.882 30.932 31.823 -0.014 0.000 0.646 350 V HN 0.542 nan 8.190 nan 0.000 0.447 351 G N -1.182 107.614 108.800 -0.007 0.000 2.422 351 G HA2 -0.204 3.758 3.960 0.003 0.000 0.218 351 G HA3 -0.204 3.758 3.960 0.003 0.000 0.218 351 G C 1.716 176.606 174.900 -0.016 0.000 1.146 351 G CA 1.014 46.102 45.100 -0.020 0.000 0.769 351 G HN 0.715 nan 8.290 nan 0.000 0.547 352 A N 0.346 123.167 122.820 0.002 0.000 1.929 352 A HA 0.185 4.506 4.320 0.003 0.000 0.216 352 A C 2.324 179.902 177.584 -0.010 0.000 1.176 352 A CA 1.460 53.503 52.037 0.010 0.000 0.628 352 A CB -0.368 18.648 19.000 0.025 0.000 0.816 352 A HN 0.469 nan 8.150 nan 0.000 0.444 353 L N 0.123 121.339 121.223 -0.011 0.000 2.046 353 L HA -0.144 4.198 4.340 0.003 0.000 0.208 353 L C 2.020 178.868 176.870 -0.037 0.000 1.077 353 L CA 2.424 57.254 54.840 -0.016 0.000 0.747 353 L CB -0.445 41.613 42.059 -0.001 0.000 0.896 353 L HN 0.494 nan 8.230 nan 0.000 0.432 354 E N -0.966 119.203 120.200 -0.050 0.000 2.274 354 E HA -0.106 4.246 4.350 0.003 0.000 0.194 354 E C 2.062 178.603 176.600 -0.099 0.000 0.996 354 E CA 0.973 57.335 56.400 -0.063 0.000 0.840 354 E CB 0.012 29.657 29.700 -0.092 0.000 0.772 354 E HN 0.532 nan 8.360 nan 0.000 0.491 355 S N 0.426 116.061 115.700 -0.108 0.000 2.406 355 S HA -0.091 4.381 4.470 0.003 0.000 0.228 355 S C 2.156 176.548 174.600 -0.347 0.000 1.020 355 S CA 0.584 58.659 58.200 -0.208 0.000 0.965 355 S CB 0.021 63.209 63.200 -0.020 0.000 0.798 355 S HN 0.059 nan 8.310 nan 0.000 0.488 356 V N 2.243 122.035 119.914 -0.204 0.000 2.453 356 V HA -0.074 4.048 4.120 0.003 0.000 0.247 356 V C 2.088 178.003 176.094 -0.297 0.000 1.048 356 V CA 1.270 63.436 62.300 -0.224 0.000 1.049 356 V CB -0.696 31.047 31.823 -0.133 0.000 0.672 356 V HN 0.434 nan 8.190 nan 0.000 0.457 357 L N -0.376 120.724 121.223 -0.206 0.000 2.093 357 L HA -0.145 4.197 4.340 0.003 0.000 0.208 357 L C 2.569 179.310 176.870 -0.216 0.000 1.085 357 L CA 1.721 56.458 54.840 -0.172 0.000 0.755 357 L CB -1.045 41.080 42.059 0.110 0.000 0.904 357 L HN 0.335 nan 8.230 nan 0.000 0.435 358 T N -0.567 113.850 114.554 -0.228 0.000 2.821 358 T HA -0.124 4.228 4.350 0.003 0.000 0.267 358 T C 2.024 176.507 174.700 -0.362 0.000 1.046 358 T CA 1.090 63.048 62.100 -0.237 0.000 1.139 358 T CB -0.100 68.530 68.868 -0.396 0.000 0.871 358 T HN 0.058 nan 8.240 nan 0.000 0.454 359 V N 1.393 120.999 119.914 -0.513 0.000 2.379 359 V HA -0.031 4.091 4.120 0.003 0.000 0.245 359 V C 2.411 178.296 176.094 -0.348 0.000 1.044 359 V CA 1.277 63.337 62.300 -0.400 0.000 1.036 359 V CB -0.535 31.073 31.823 -0.359 0.000 0.664 359 V HN 0.449 nan 8.190 nan 0.000 0.453 360 L N -0.518 120.381 121.223 -0.540 0.000 2.275 360 L HA -0.134 4.207 4.340 0.003 0.000 0.215 360 L C 2.517 179.024 176.870 -0.605 0.000 1.119 360 L CA 1.433 55.771 54.840 -0.836 0.000 0.790 360 L CB -0.747 40.292 42.059 -1.700 0.000 0.919 360 L HN 0.350 nan 8.230 nan 0.000 0.443 361 T N 0.050 114.387 114.554 -0.362 0.000 2.857 361 T HA -0.060 4.292 4.350 0.003 0.000 0.266 361 T C 1.918 176.619 174.700 0.001 0.000 1.048 361 T CA 0.984 63.040 62.100 -0.073 0.000 1.139 361 T CB -0.016 68.718 68.868 -0.224 0.000 0.874 361 T HN 0.199 nan 8.240 nan 0.000 0.455 362 L N 0.247 121.447 121.223 -0.038 0.000 2.240 362 L HA 0.131 4.473 4.340 0.003 0.000 0.211 362 L C 2.745 179.638 176.870 0.039 0.000 1.106 362 L CA 0.806 55.671 54.840 0.042 0.000 0.793 362 L CB -0.318 41.762 42.059 0.035 0.000 0.927 362 L HN 0.093 nan 8.230 nan 0.000 0.446 363 R N 0.135 120.626 120.500 -0.014 0.000 2.075 363 R HA -0.106 4.236 4.340 0.003 0.000 0.226 363 R C 1.114 177.447 176.300 0.053 0.000 1.114 363 R CA 1.440 57.540 56.100 0.000 0.000 0.972 363 R CB 0.160 30.419 30.300 -0.069 0.000 0.869 363 R HN 0.255 nan 8.270 nan 0.000 0.437 364 D N -1.262 119.196 120.400 0.096 0.000 2.367 364 D HA 0.133 4.775 4.640 0.003 0.000 0.207 364 D C 0.700 177.129 176.300 0.216 0.000 1.034 364 D CA 0.897 55.014 54.000 0.194 0.000 0.861 364 D CB 0.761 41.776 40.800 0.359 0.000 0.943 364 D HN 0.468 nan 8.370 nan 0.000 0.515 365 G N 0.912 109.837 108.800 0.209 0.000 2.176 365 G HA2 -0.196 3.766 3.960 0.003 0.000 0.252 365 G HA3 -0.196 3.766 3.960 0.003 0.000 0.252 365 G C 0.050 175.096 174.900 0.244 0.000 1.024 365 G CA 0.604 45.829 45.100 0.207 0.000 0.755 365 G HN 0.423 nan 8.290 nan 0.000 0.507 366 V N -0.257 119.785 119.914 0.214 0.000 3.049 366 V HA 0.823 4.945 4.120 0.003 0.000 0.309 366 V C -0.700 175.266 176.094 -0.213 0.000 1.148 366 V CA -1.266 60.938 62.300 -0.160 0.000 0.990 366 V CB 2.088 33.532 31.823 -0.633 0.000 1.039 366 V HN 0.381 nan 8.190 nan 0.000 0.430 367 I N 6.299 126.624 120.570 -0.409 0.000 2.418 367 I HA 0.477 4.649 4.170 0.003 0.000 0.287 367 I C -2.470 173.254 176.117 -0.655 0.000 1.008 367 I CA -2.113 58.826 61.300 -0.601 0.000 1.104 367 I CB 2.229 39.839 38.000 -0.650 0.000 1.264 367 I HN 0.473 nan 8.210 nan 0.000 0.438 368 P HA 0.103 nan 4.420 nan 0.000 0.271 368 P C -2.520 174.510 177.300 -0.450 0.000 1.233 368 P CA -1.026 61.651 63.100 -0.704 0.000 0.789 368 P CB -0.235 31.024 31.700 -0.735 0.000 0.951 369 P HA 0.057 nan 4.420 nan 0.000 0.280 369 P C -0.658 176.746 177.300 0.173 0.000 1.244 369 P CA 0.101 63.195 63.100 -0.009 0.000 0.784 369 P CB 0.165 31.860 31.700 -0.008 0.000 0.913 370 T N 4.468 119.155 114.554 0.221 0.000 2.769 370 T HA 0.187 4.539 4.350 0.003 0.000 0.293 370 T C 0.764 175.556 174.700 0.152 0.000 0.931 370 T CA -0.159 62.065 62.100 0.206 0.000 1.139 370 T CB -0.233 68.706 68.868 0.118 0.000 0.881 370 T HN 0.203 nan 8.240 nan 0.000 0.532 371 L N 4.208 125.504 121.223 0.122 0.000 2.439 371 L HA 0.150 4.492 4.340 0.003 0.000 0.269 371 L C 0.973 177.911 176.870 0.115 0.000 1.179 371 L CA -0.388 54.512 54.840 0.099 0.000 0.828 371 L CB 0.112 42.211 42.059 0.067 0.000 1.106 371 L HN 0.755 nan 8.230 nan 0.000 0.467 372 N N 0.136 118.897 118.700 0.101 0.000 2.863 372 N HA -0.297 4.445 4.740 0.003 0.000 0.245 372 N C -0.323 175.259 175.510 0.120 0.000 1.001 372 N CA 0.887 53.988 53.050 0.085 0.000 0.901 372 N CB -1.553 36.967 38.487 0.056 0.000 1.124 372 N HN 0.593 nan 8.380 nan 0.000 0.582 373 Y N 2.034 122.362 120.300 0.047 0.000 2.640 373 Y HA 0.191 4.743 4.550 0.003 0.000 0.355 373 Y C 1.329 177.254 175.900 0.043 0.000 1.088 373 Y CA 0.521 58.656 58.100 0.058 0.000 1.443 373 Y CB 0.047 38.553 38.460 0.075 0.000 1.224 373 Y HN 0.069 nan 8.280 nan 0.000 0.516 374 E N 1.681 121.721 120.200 -0.265 0.000 2.474 374 E HA 0.154 4.506 4.350 0.003 0.000 0.215 374 E C -0.413 176.029 176.600 -0.263 0.000 0.867 374 E CA 0.244 56.528 56.400 -0.194 0.000 1.135 374 E CB 0.910 30.561 29.700 -0.082 0.000 1.147 374 E HN 0.386 nan 8.360 nan 0.000 0.534 375 T N 2.709 117.044 114.554 -0.364 0.000 2.985 375 T HA 0.286 4.638 4.350 0.003 0.000 0.315 375 T C -2.826 171.669 174.700 -0.341 0.000 1.001 375 T CA -1.452 60.485 62.100 -0.271 0.000 1.016 375 T CB 1.754 70.541 68.868 -0.134 0.000 0.993 375 T HN -0.180 nan 8.240 nan 0.000 0.454 376 P HA 0.087 nan 4.420 nan 0.000 0.264 376 P C -0.414 176.889 177.300 0.005 0.000 1.193 376 P CA -0.155 62.881 63.100 -0.107 0.000 0.763 376 P CB 0.450 32.164 31.700 0.023 0.000 0.810 377 D N 5.080 125.538 120.400 0.096 0.000 2.313 377 D HA 0.125 4.767 4.640 0.003 0.000 0.239 377 D C -1.539 174.812 176.300 0.086 0.000 1.142 377 D CA -2.271 51.783 54.000 0.090 0.000 0.847 377 D CB 0.925 41.805 40.800 0.133 0.000 1.082 377 D HN 0.091 nan 8.370 nan 0.000 0.480 378 P HA -0.154 nan 4.420 nan 0.000 0.216 378 P C 0.982 178.311 177.300 0.048 0.000 1.153 378 P CA 0.972 64.099 63.100 0.044 0.000 0.858 378 P CB 0.426 32.144 31.700 0.030 0.000 0.789 379 E N -0.905 119.327 120.200 0.053 0.000 2.204 379 E HA -0.115 4.237 4.350 0.003 0.000 0.195 379 E C 2.070 178.709 176.600 0.066 0.000 0.990 379 E CA 0.783 57.214 56.400 0.052 0.000 0.821 379 E CB -0.676 29.053 29.700 0.050 0.000 0.750 379 E HN 0.344 nan 8.360 nan 0.000 0.477 380 I N 0.467 121.094 120.570 0.096 0.000 2.185 380 I HA -0.198 3.974 4.170 0.003 0.000 0.235 380 I C 0.460 176.600 176.117 0.038 0.000 1.069 380 I CA 0.767 62.130 61.300 0.104 0.000 1.354 380 I CB 0.019 38.135 38.000 0.193 0.000 1.093 380 I HN 0.012 nan 8.210 nan 0.000 0.411 381 D N 1.270 121.694 120.400 0.040 0.000 2.956 381 D HA -0.159 4.482 4.640 0.003 0.000 0.240 381 D C -1.058 175.222 176.300 -0.033 0.000 1.141 381 D CA 0.559 54.568 54.000 0.015 0.000 0.820 381 D CB -0.894 39.916 40.800 0.017 0.000 0.988 381 D HN 0.116 nan 8.370 nan 0.000 0.417 382 L N 0.482 121.655 121.223 -0.083 0.000 2.350 382 L HA 0.439 4.781 4.340 0.003 0.000 0.260 382 L C 0.335 177.116 176.870 -0.149 0.000 1.015 382 L CA -1.250 53.499 54.840 -0.152 0.000 0.821 382 L CB 1.546 43.420 42.059 -0.308 0.000 1.370 382 L HN -0.098 nan 8.230 nan 0.000 0.416 383 D N 1.396 121.720 120.400 -0.128 0.000 2.498 383 D HA 0.190 4.832 4.640 0.003 0.000 0.229 383 D C -0.669 175.532 176.300 -0.165 0.000 1.188 383 D CA -0.037 53.904 54.000 -0.099 0.000 1.028 383 D CB 0.350 41.126 40.800 -0.041 0.000 1.087 383 D HN 0.094 nan 8.370 nan 0.000 0.510 384 V N 4.642 124.390 119.914 -0.278 0.000 2.372 384 V HA 0.076 4.198 4.120 0.003 0.000 0.261 384 V C 0.579 176.521 176.094 -0.253 0.000 1.055 384 V CA -0.840 61.212 62.300 -0.413 0.000 0.930 384 V CB 1.064 32.307 31.823 -0.967 0.000 1.031 384 V HN 0.222 nan 8.190 nan 0.000 0.479 385 V N 5.275 125.122 119.914 -0.111 0.000 2.557 385 V HA 0.441 4.563 4.120 0.003 0.000 0.301 385 V C 0.670 176.753 176.094 -0.020 0.000 1.026 385 V CA 0.783 63.057 62.300 -0.044 0.000 1.137 385 V CB 0.249 32.050 31.823 -0.038 0.000 0.917 385 V HN 1.051 nan 8.190 nan 0.000 0.484 386 A N 3.698 126.528 122.820 0.017 0.000 2.609 386 A HA 0.814 5.136 4.320 0.003 0.000 0.291 386 A C 0.883 178.508 177.584 0.068 0.000 1.096 386 A CA 0.140 52.224 52.037 0.079 0.000 0.684 386 A CB 1.364 20.483 19.000 0.197 0.000 1.282 386 A HN 1.822 nan 8.150 nan 0.000 0.412 387 G N -0.189 108.654 108.800 0.071 0.000 3.078 387 G HA2 -0.211 3.751 3.960 0.003 0.000 0.227 387 G HA3 -0.211 3.751 3.960 0.003 0.000 0.227 387 G C 0.256 175.167 174.900 0.019 0.000 1.306 387 G CA 1.404 46.533 45.100 0.048 0.000 0.841 387 G HN 1.111 nan 8.290 nan 0.000 0.530 388 E N 0.872 121.075 120.200 0.005 0.000 2.369 388 E HA 0.635 4.987 4.350 0.003 0.000 0.270 388 E C -2.763 173.799 176.600 -0.062 0.000 0.909 388 E CA -1.817 54.573 56.400 -0.015 0.000 0.775 388 E CB 2.310 32.017 29.700 0.011 0.000 1.270 388 E HN 0.168 nan 8.360 nan 0.000 0.445 389 P HA 0.159 nan 4.420 nan 0.000 0.271 389 P C -1.081 176.102 177.300 -0.194 0.000 1.220 389 P CA -0.084 62.875 63.100 -0.235 0.000 0.768 389 P CB 0.501 32.017 31.700 -0.306 0.000 0.848 390 R N 3.526 123.893 120.500 -0.221 0.000 2.346 390 R HA 0.391 4.732 4.340 0.003 0.000 0.311 390 R C -0.867 175.370 176.300 -0.104 0.000 0.983 390 R CA -0.568 55.491 56.100 -0.067 0.000 0.880 390 R CB 0.464 30.772 30.300 0.014 0.000 1.100 390 R HN 0.405 nan 8.270 nan 0.000 0.453 391 Y N 1.274 121.592 120.300 0.029 0.000 2.419 391 Y HA 0.680 5.232 4.550 0.003 0.000 0.328 391 Y C 0.894 176.688 175.900 -0.178 0.000 1.162 391 Y CA -0.040 58.045 58.100 -0.025 0.000 1.174 391 Y CB 2.499 40.928 38.460 -0.052 0.000 1.228 391 Y HN 0.814 nan 8.280 nan 0.000 0.473 392 G N 0.701 109.304 108.800 -0.330 0.000 2.387 392 G HA2 0.167 4.129 3.960 0.003 0.000 0.294 392 G HA3 0.167 4.129 3.960 0.003 0.000 0.294 392 G C -2.052 172.392 174.900 -0.761 0.000 1.509 392 G CA -0.993 43.765 45.100 -0.570 0.000 0.806 392 G HN 0.395 nan 8.290 nan 0.000 0.546 393 D N 0.552 120.683 120.400 -0.448 0.000 2.608 393 D HA 0.339 4.981 4.640 0.003 0.000 0.224 393 D C -0.206 175.938 176.300 -0.259 0.000 1.123 393 D CA -0.145 53.679 54.000 -0.293 0.000 1.030 393 D CB -0.430 40.285 40.800 -0.143 0.000 1.093 393 D HN 0.223 nan 8.370 nan 0.000 0.497 394 Y N 1.468 121.760 120.300 -0.012 0.000 2.569 394 Y HA 0.124 4.676 4.550 0.003 0.000 0.332 394 Y C 1.893 177.753 175.900 -0.067 0.000 1.120 394 Y CA -0.120 57.972 58.100 -0.013 0.000 1.416 394 Y CB 0.594 39.047 38.460 -0.012 0.000 1.210 394 Y HN 0.129 nan 8.280 nan 0.000 0.528 395 R N 1.919 122.426 120.500 0.012 0.000 2.191 395 R HA 0.142 4.484 4.340 0.003 0.000 0.196 395 R C -0.838 175.129 176.300 -0.556 0.000 0.991 395 R CA 0.411 56.317 56.100 -0.324 0.000 1.075 395 R CB 0.468 30.518 30.300 -0.416 0.000 1.040 395 R HN 0.561 nan 8.270 nan 0.000 0.526 396 Y N -0.422 119.964 120.300 0.143 0.000 2.457 396 Y HA 0.619 5.171 4.550 0.003 0.000 0.343 396 Y C -0.418 175.560 175.900 0.130 0.000 0.994 396 Y CA -1.152 57.020 58.100 0.121 0.000 1.031 396 Y CB 2.246 40.752 38.460 0.078 0.000 1.246 396 Y HN -0.033 nan 8.280 nan 0.000 0.449 397 A N 1.710 124.701 122.820 0.285 0.000 2.515 397 A HA 0.870 5.191 4.320 0.003 0.000 0.298 397 A C -1.904 175.762 177.584 0.137 0.000 1.059 397 A CA -0.788 51.356 52.037 0.177 0.000 0.698 397 A CB 1.377 20.501 19.000 0.207 0.000 1.289 397 A HN 0.463 nan 8.150 nan 0.000 0.404 398 V N 2.249 122.171 119.914 0.014 0.000 2.409 398 V HA 0.334 4.456 4.120 0.003 0.000 0.291 398 V C -0.131 175.939 176.094 -0.040 0.000 1.020 398 V CA -0.758 61.550 62.300 0.013 0.000 0.848 398 V CB 1.481 33.294 31.823 -0.017 0.000 0.990 398 V HN 0.894 nan 8.190 nan 0.000 0.430 399 N N 4.649 123.371 118.700 0.037 0.000 2.422 399 N HA 0.232 4.974 4.740 0.003 0.000 0.264 399 N C -0.496 174.965 175.510 -0.082 0.000 1.063 399 N CA -0.006 53.029 53.050 -0.025 0.000 0.959 399 N CB 0.593 39.106 38.487 0.044 0.000 1.087 399 N HN 0.626 nan 8.380 nan 0.000 0.483 400 N N 1.470 120.076 118.700 -0.157 0.000 2.405 400 N HA 0.431 5.172 4.740 0.003 0.000 0.299 400 N C -1.340 173.865 175.510 -0.508 0.000 1.075 400 N CA -0.260 52.589 53.050 -0.335 0.000 0.884 400 N CB 1.592 39.909 38.487 -0.283 0.000 1.194 400 N HN 0.386 nan 8.380 nan 0.000 0.491 401 S N 1.003 116.215 115.700 -0.813 0.000 2.546 401 S HA 0.683 5.155 4.470 0.003 0.000 0.272 401 S C -1.676 172.315 174.600 -1.015 0.000 1.140 401 S CA -0.524 57.226 58.200 -0.750 0.000 0.920 401 S CB 0.583 63.628 63.200 -0.257 0.000 1.083 401 S HN 0.311 nan 8.310 nan 0.000 0.476 402 F N 0.850 120.417 119.950 -0.639 0.000 2.565 402 F HA 0.766 5.295 4.527 0.003 0.000 0.313 402 F C 0.644 176.279 175.800 -0.276 0.000 1.091 402 F CA -0.833 56.937 58.000 -0.382 0.000 0.915 402 F CB 1.864 40.657 39.000 -0.344 0.000 1.208 402 F HN 0.635 nan 8.300 nan 0.000 0.453 403 G N 0.877 109.781 108.800 0.174 0.000 2.537 403 G HA2 0.611 4.573 3.960 0.003 0.000 0.308 403 G HA3 0.611 4.573 3.960 0.003 0.000 0.308 403 G C -1.469 173.635 174.900 0.339 0.000 1.237 403 G CA -0.677 44.535 45.100 0.187 0.000 0.968 403 G HN 0.245 nan 8.290 nan 0.000 0.481 404 F N 0.481 120.563 119.950 0.219 0.000 2.572 404 F HA 0.416 4.944 4.527 0.002 0.000 0.370 404 F C 1.587 177.478 175.800 0.152 0.000 1.103 404 F CA 0.770 58.873 58.000 0.173 0.000 1.286 404 F CB 1.075 40.179 39.000 0.173 0.000 1.105 404 F HN 0.946 nan 8.300 nan 0.000 0.583 405 G N 0.998 109.913 108.800 0.191 0.000 2.195 405 G HA2 0.056 4.018 3.960 0.003 0.000 0.224 405 G HA3 0.056 4.018 3.960 0.003 0.000 0.224 405 G C 0.802 175.467 174.900 -0.391 0.000 0.990 405 G CA 0.081 45.117 45.100 -0.107 0.000 0.639 405 G HN 1.841 nan 8.290 nan 0.000 0.514 406 G N -0.101 108.598 108.800 -0.168 0.000 2.204 406 G HA2 -0.176 3.786 3.960 0.003 0.000 0.244 406 G HA3 -0.176 3.786 3.960 0.003 0.000 0.244 406 G C -0.052 174.758 174.900 -0.151 0.000 1.062 406 G CA 0.530 45.574 45.100 -0.094 0.000 0.798 406 G HN 1.323 nan 8.290 nan 0.000 0.496 407 H N 0.659 119.814 119.070 0.142 0.000 2.527 407 H HA 0.364 4.921 4.556 0.003 0.000 0.321 407 H C 0.064 175.500 175.328 0.180 0.000 1.087 407 H CA -0.287 55.839 56.048 0.129 0.000 1.337 407 H CB 0.840 30.669 29.762 0.111 0.000 1.440 407 H HN 0.308 nan 8.280 nan 0.000 0.490 408 N N 2.868 121.741 118.700 0.289 0.000 2.442 408 N HA 0.222 4.964 4.740 0.003 0.000 0.274 408 N C -0.857 174.776 175.510 0.205 0.000 1.002 408 N CA -0.438 52.839 53.050 0.378 0.000 0.910 408 N CB 2.898 41.557 38.487 0.287 0.000 1.244 408 N HN 0.193 nan 8.380 nan 0.000 0.492 409 V N 1.032 121.002 119.914 0.093 0.000 2.444 409 V HA 0.747 4.869 4.120 0.003 0.000 0.294 409 V C -0.266 175.776 176.094 -0.086 0.000 1.022 409 V CA -0.785 61.504 62.300 -0.019 0.000 0.850 409 V CB 1.418 33.209 31.823 -0.053 0.000 0.992 409 V HN 0.778 nan 8.190 nan 0.000 0.426 410 A N 5.967 128.748 122.820 -0.065 0.000 2.355 410 A HA 0.950 5.272 4.320 0.003 0.000 0.317 410 A C -1.134 176.374 177.584 -0.127 0.000 1.094 410 A CA -0.552 51.437 52.037 -0.080 0.000 0.764 410 A CB 1.260 20.242 19.000 -0.030 0.000 1.230 410 A HN 0.781 nan 8.150 nan 0.000 0.448 411 L N 1.812 122.974 121.223 -0.102 0.000 2.362 411 L HA 0.687 5.028 4.340 0.003 0.000 0.275 411 L C 0.346 177.122 176.870 -0.156 0.000 0.998 411 L CA -0.690 54.037 54.840 -0.187 0.000 0.820 411 L CB 2.074 44.102 42.059 -0.051 0.000 1.270 411 L HN 0.812 nan 8.230 nan 0.000 0.415 412 A N 3.454 126.066 122.820 -0.347 0.000 2.289 412 A HA 0.775 5.096 4.320 0.003 0.000 0.298 412 A C -1.083 176.290 177.584 -0.351 0.000 1.208 412 A CA -0.098 51.805 52.037 -0.223 0.000 0.845 412 A CB 0.182 19.049 19.000 -0.222 0.000 1.125 412 A HN 0.510 nan 8.150 nan 0.000 0.517 413 F N 0.921 120.869 119.950 -0.004 0.000 2.561 413 F HA 0.709 5.238 4.527 0.003 0.000 0.321 413 F C 0.818 176.695 175.800 0.128 0.000 1.065 413 F CA -0.073 57.946 58.000 0.032 0.000 0.934 413 F CB 2.782 41.788 39.000 0.011 0.000 1.215 413 F HN 0.751 nan 8.300 nan 0.000 0.471 414 G N 0.852 109.831 108.800 0.298 0.000 2.605 414 G HA2 0.544 4.506 3.960 0.003 0.000 0.296 414 G HA3 0.544 4.506 3.960 0.003 0.000 0.296 414 G C -1.825 173.127 174.900 0.087 0.000 1.304 414 G CA -1.060 44.131 45.100 0.151 0.000 0.941 414 G HN 0.636 nan 8.290 nan 0.000 0.475 415 R N -0.111 120.358 120.500 -0.052 0.000 2.490 415 R HA 0.341 4.683 4.340 0.003 0.000 0.280 415 R C -0.404 175.925 176.300 0.049 0.000 1.077 415 R CA -0.543 55.561 56.100 0.007 0.000 1.065 415 R CB 0.503 30.774 30.300 -0.049 0.000 1.003 415 R HN 0.606 nan 8.270 nan 0.000 0.470 416 Y N 0.000 120.300 120.300 0.000 0.000 2.660 416 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 416 Y CA 0.000 58.107 58.100 0.011 0.000 1.940 416 Y CB 0.000 38.470 38.460 0.016 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758