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 2rdu_1_A DATA FIRST_RESID 3 DATA SEQUENCE PRLICINDYE QHAKSVLPKS IYDYYRSGAN DEETLADNIA AFSRWKLYPR DATA SEQUENCE MLRNVAETDL STSVLGQRVS MPICVGATAM QRMAHVDGEL ATVRACQSLG DATA SEQUENCE TGMMLSSWAT SSIEEVAEAG PEALRWLQLY IYKDREVTKK LVRQAEKMGY DATA SEQUENCE KAIFVTVDTP YLGNRLDDVR NRFKLPPQLR MKNFETSTLS FSPEENFGDD DATA SEQUENCE SGLAAYVAKA IDPSISWEDI KWLRRLTSLP IVAKGILRGD DAREAVKHGL DATA SEQUENCE NGILVSNHGA RQLDGVPATI DVLPEIVEAV EGKVEVFLDG GVRKGTDVLK DATA SEQUENCE ALALGAKAVF VGRPIVWGLA FQGEKGVQDV LEILKEEFRL AMALSGCQNV DATA SEQUENCE KVIDKTLVRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.227 177.300 -0.122 0.000 1.155 3 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 3 P CB 0.000 31.676 31.700 -0.039 0.000 0.726 4 R N 1.825 122.254 120.500 -0.119 0.000 2.248 4 R HA 0.499 4.842 4.340 0.006 0.000 0.328 4 R C -0.678 175.475 176.300 -0.244 0.000 1.067 4 R CA -0.247 55.762 56.100 -0.151 0.000 0.924 4 R CB 0.055 30.309 30.300 -0.078 0.000 1.013 4 R HN 0.398 nan 8.270 nan 0.000 0.454 5 L N 7.478 128.478 121.223 -0.371 0.000 2.349 5 L HA 0.393 4.737 4.340 0.006 0.000 0.278 5 L C 0.902 177.657 176.870 -0.191 0.000 0.996 5 L CA -0.422 54.142 54.840 -0.459 0.000 0.825 5 L CB 1.907 43.272 42.059 -1.157 0.000 1.243 5 L HN 0.729 nan 8.230 nan 0.000 0.412 6 I N -0.784 119.740 120.570 -0.077 0.000 4.327 6 I HA 0.292 4.465 4.170 0.006 0.000 0.331 6 I C 0.346 176.490 176.117 0.046 0.000 1.348 6 I CA -0.253 61.047 61.300 0.000 0.000 1.152 6 I CB 0.898 38.886 38.000 -0.020 0.000 1.151 6 I HN 0.614 nan 8.210 nan 0.000 0.410 7 C N -1.386 117.958 119.300 0.073 0.000 3.291 7 C HA 0.561 5.024 4.460 0.006 0.000 0.316 7 C C 1.463 176.556 174.990 0.172 0.000 1.391 7 C CA -0.761 58.310 59.018 0.089 0.000 1.394 7 C CB 1.215 28.983 27.740 0.045 0.000 1.744 7 C HN 0.178 nan 8.230 nan 0.000 0.461 8 I N 2.064 122.710 120.570 0.127 0.000 2.264 8 I HA -0.149 4.024 4.170 0.006 0.000 0.248 8 I C 2.238 178.479 176.117 0.206 0.000 1.111 8 I CA 1.611 63.011 61.300 0.166 0.000 1.382 8 I CB -1.647 36.405 38.000 0.087 0.000 1.060 8 I HN 0.782 nan 8.210 nan 0.000 0.418 9 N N 0.489 119.260 118.700 0.120 0.000 2.223 9 N HA -0.199 4.544 4.740 0.006 0.000 0.185 9 N C 1.270 176.800 175.510 0.033 0.000 1.016 9 N CA 1.073 54.167 53.050 0.073 0.000 0.863 9 N CB -0.050 38.462 38.487 0.041 0.000 0.983 9 N HN 0.355 nan 8.380 nan 0.000 0.429 10 D N 0.169 120.588 120.400 0.031 0.000 2.144 10 D HA -0.143 4.500 4.640 0.006 0.000 0.199 10 D C 1.470 177.690 176.300 -0.134 0.000 0.984 10 D CA 1.101 55.053 54.000 -0.080 0.000 0.834 10 D CB -0.293 40.412 40.800 -0.157 0.000 0.955 10 D HN 0.366 nan 8.370 nan 0.000 0.465 11 Y N 1.015 121.282 120.300 -0.054 0.000 2.200 11 Y HA -0.122 4.431 4.550 0.005 0.000 0.290 11 Y C 2.493 178.362 175.900 -0.052 0.000 1.137 11 Y CA 1.330 59.435 58.100 0.008 0.000 1.163 11 Y CB -0.096 38.430 38.460 0.110 0.000 0.988 11 Y HN 0.006 nan 8.280 nan 0.000 0.518 12 E N -0.192 119.932 120.200 -0.126 0.000 2.077 12 E HA -0.252 4.101 4.350 0.006 0.000 0.193 12 E C 2.037 178.356 176.600 -0.467 0.000 0.989 12 E CA 1.304 57.240 56.400 -0.773 0.000 0.800 12 E CB 0.086 29.404 29.700 -0.636 0.000 0.746 12 E HN 0.359 nan 8.360 nan 0.000 0.452 13 Q N -0.253 119.406 119.800 -0.235 0.000 2.084 13 Q HA -0.214 4.130 4.340 0.006 0.000 0.202 13 Q C 2.078 177.974 176.000 -0.173 0.000 0.978 13 Q CA 1.938 57.624 55.803 -0.195 0.000 0.844 13 Q CB -0.772 27.895 28.738 -0.118 0.000 0.898 13 Q HN 0.530 nan 8.270 nan 0.000 0.426 14 H N 0.646 119.607 119.070 -0.183 0.000 2.353 14 H HA -0.001 4.558 4.556 0.005 0.000 0.300 14 H C 1.817 177.111 175.328 -0.057 0.000 1.090 14 H CA 1.897 57.883 56.048 -0.103 0.000 1.327 14 H CB -0.043 29.667 29.762 -0.087 0.000 1.383 14 H HN 0.239 nan 8.280 nan 0.000 0.508 15 A N 0.959 123.752 122.820 -0.046 0.000 1.883 15 A HA -0.243 4.080 4.320 0.006 0.000 0.217 15 A C 2.312 179.777 177.584 -0.197 0.000 1.186 15 A CA 1.945 53.986 52.037 0.007 0.000 0.624 15 A CB -0.711 18.385 19.000 0.160 0.000 0.822 15 A HN 0.529 nan 8.150 nan 0.000 0.444 16 K N 0.215 120.298 120.400 -0.528 0.000 2.152 16 K HA -0.159 4.164 4.320 0.006 0.000 0.206 16 K C 2.166 178.492 176.600 -0.457 0.000 1.048 16 K CA 1.736 57.487 56.287 -0.892 0.000 0.933 16 K CB -0.168 31.659 32.500 -1.122 0.000 0.721 16 K HN 0.642 nan 8.250 nan 0.000 0.447 17 S N -0.414 115.077 115.700 -0.348 0.000 2.461 17 S HA -0.065 4.408 4.470 0.006 0.000 0.228 17 S C 1.766 176.239 174.600 -0.210 0.000 1.005 17 S CA 0.789 58.834 58.200 -0.258 0.000 0.942 17 S CB 0.150 63.210 63.200 -0.233 0.000 0.776 17 S HN 0.237 nan 8.310 nan 0.000 0.514 18 V N -1.827 117.954 119.914 -0.221 0.000 3.635 18 V HA 0.504 4.627 4.120 0.006 0.000 0.266 18 V C 0.468 176.569 176.094 0.011 0.000 1.316 18 V CA -0.412 61.820 62.300 -0.113 0.000 1.060 18 V CB -0.571 31.166 31.823 -0.143 0.000 0.820 18 V HN 0.352 nan 8.190 nan 0.000 0.447 19 L N 2.207 123.466 121.223 0.059 0.000 2.350 19 L HA 0.505 4.848 4.340 0.006 0.000 0.275 19 L C -2.133 174.820 176.870 0.138 0.000 1.099 19 L CA -1.750 53.195 54.840 0.175 0.000 0.808 19 L CB 0.769 43.040 42.059 0.354 0.000 1.149 19 L HN 0.085 nan 8.230 nan 0.000 0.442 20 P HA -0.001 nan 4.420 nan 0.000 0.266 20 P C 0.330 177.732 177.300 0.170 0.000 1.195 20 P CA -0.239 62.933 63.100 0.120 0.000 0.768 20 P CB 0.634 32.396 31.700 0.103 0.000 0.838 21 K N 2.219 122.705 120.400 0.143 0.000 2.034 21 K HA -0.240 4.083 4.320 0.006 0.000 0.214 21 K C 1.847 178.575 176.600 0.213 0.000 1.051 21 K CA 2.502 58.900 56.287 0.184 0.000 0.931 21 K CB -0.522 32.055 32.500 0.128 0.000 0.715 21 K HN 0.550 nan 8.250 nan 0.000 0.446 22 S N 0.094 115.899 115.700 0.174 0.000 2.423 22 S HA -0.113 4.361 4.470 0.006 0.000 0.231 22 S C 1.991 176.724 174.600 0.222 0.000 1.014 22 S CA 1.094 59.413 58.200 0.198 0.000 0.965 22 S CB -0.373 62.941 63.200 0.190 0.000 0.785 22 S HN 0.386 nan 8.310 nan 0.000 0.495 23 I N -0.227 120.463 120.570 0.200 0.000 2.277 23 I HA -0.011 4.162 4.170 0.006 0.000 0.243 23 I C 2.463 178.658 176.117 0.130 0.000 1.094 23 I CA 1.230 62.600 61.300 0.117 0.000 1.393 23 I CB -0.499 37.587 38.000 0.144 0.000 1.078 23 I HN 0.274 nan 8.210 nan 0.000 0.417 24 Y N 2.279 122.715 120.300 0.225 0.000 2.081 24 Y HA -0.357 4.196 4.550 0.004 0.000 0.280 24 Y C 2.137 178.202 175.900 0.275 0.000 1.163 24 Y CA 1.938 60.238 58.100 0.333 0.000 1.135 24 Y CB -0.482 38.096 38.460 0.196 0.000 0.970 24 Y HN 0.202 nan 8.280 nan 0.000 0.498 25 D N -0.942 119.469 120.400 0.017 0.000 2.104 25 D HA -0.246 4.398 4.640 0.006 0.000 0.194 25 D C 2.005 178.239 176.300 -0.111 0.000 0.994 25 D CA 1.809 55.769 54.000 -0.068 0.000 0.830 25 D CB -0.959 39.883 40.800 0.070 0.000 0.959 25 D HN 0.535 nan 8.370 nan 0.000 0.452 26 Y N 0.521 120.672 120.300 -0.248 0.000 2.114 26 Y HA -0.336 4.217 4.550 0.006 0.000 0.282 26 Y C 2.037 177.786 175.900 -0.252 0.000 1.165 26 Y CA 1.599 59.419 58.100 -0.467 0.000 1.148 26 Y CB -0.614 37.244 38.460 -1.004 0.000 0.972 26 Y HN -0.022 nan 8.280 nan 0.000 0.504 27 Y N 0.195 120.330 120.300 -0.274 0.000 2.200 27 Y HA -0.116 4.437 4.550 0.004 0.000 0.290 27 Y C 2.885 178.643 175.900 -0.236 0.000 1.137 27 Y CA 1.635 59.543 58.100 -0.321 0.000 1.163 27 Y CB -0.852 37.576 38.460 -0.054 0.000 0.988 27 Y HN 0.115 nan 8.280 nan 0.000 0.518 28 R N 0.176 120.674 120.500 -0.003 0.000 2.090 28 R HA -0.019 4.325 4.340 0.006 0.000 0.228 28 R C 0.729 176.998 176.300 -0.052 0.000 1.110 28 R CA 0.572 56.665 56.100 -0.012 0.000 0.973 28 R CB -0.223 29.855 30.300 -0.370 0.000 0.869 28 R HN 0.156 nan 8.270 nan 0.000 0.440 29 S N -0.257 115.370 115.700 -0.122 0.000 2.563 29 S HA 0.238 4.711 4.470 0.006 0.000 0.284 29 S C 0.278 174.843 174.600 -0.058 0.000 1.331 29 S CA 0.012 58.163 58.200 -0.081 0.000 1.047 29 S CB 1.425 64.571 63.200 -0.089 0.000 0.859 29 S HN 0.472 nan 8.310 nan 0.000 0.514 30 G N 0.176 108.964 108.800 -0.020 0.000 2.753 30 G HA2 0.667 4.631 3.960 0.006 0.000 0.285 30 G HA3 0.667 4.631 3.960 0.006 0.000 0.285 30 G C -0.700 174.194 174.900 -0.009 0.000 1.344 30 G CA -0.641 44.455 45.100 -0.007 0.000 1.050 30 G HN 0.920 nan 8.290 nan 0.000 0.532 31 A N -0.533 122.286 122.820 -0.002 0.000 2.363 31 A HA 0.574 4.897 4.320 0.006 0.000 0.270 31 A C 0.844 178.431 177.584 0.006 0.000 1.121 31 A CA 0.435 52.471 52.037 -0.002 0.000 0.800 31 A CB -0.385 18.613 19.000 -0.005 0.000 1.052 31 A HN 1.024 nan 8.150 nan 0.000 0.493 32 N N 0.873 119.577 118.700 0.006 0.000 1.293 32 N HA -0.232 4.512 4.740 0.006 0.000 0.140 32 N C 0.034 175.552 175.510 0.014 0.000 0.753 32 N CA 1.875 54.931 53.050 0.009 0.000 0.979 32 N CB -0.773 37.718 38.487 0.008 0.000 1.228 32 N HN 0.735 nan 8.380 nan 0.000 0.509 33 D N 1.950 122.359 120.400 0.015 0.000 2.363 33 D HA 0.037 4.680 4.640 0.006 0.000 0.226 33 D C -0.155 176.159 176.300 0.022 0.000 1.020 33 D CA 0.802 54.813 54.000 0.019 0.000 0.892 33 D CB -0.310 40.501 40.800 0.017 0.000 0.900 33 D HN 0.513 nan 8.370 nan 0.000 0.531 34 E N -0.444 119.769 120.200 0.022 0.000 2.513 34 E HA -0.267 4.086 4.350 0.006 0.000 0.257 34 E C 0.644 177.264 176.600 0.033 0.000 1.098 34 E CA 0.351 56.768 56.400 0.028 0.000 0.752 34 E CB -1.304 28.414 29.700 0.030 0.000 1.324 34 E HN 0.477 nan 8.360 nan 0.000 0.403 35 E N -0.182 120.036 120.200 0.030 0.000 2.051 35 E HA -0.149 4.204 4.350 0.006 0.000 0.192 35 E C 1.890 178.513 176.600 0.037 0.000 0.991 35 E CA 1.735 58.154 56.400 0.031 0.000 0.799 35 E CB -0.038 29.677 29.700 0.025 0.000 0.748 35 E HN 0.281 nan 8.360 nan 0.000 0.449 36 T N 1.702 116.279 114.554 0.038 0.000 2.821 36 T HA -0.129 4.225 4.350 0.006 0.000 0.267 36 T C 1.839 176.573 174.700 0.057 0.000 1.046 36 T CA 0.628 62.755 62.100 0.045 0.000 1.139 36 T CB -0.198 68.695 68.868 0.043 0.000 0.871 36 T HN 0.011 nan 8.240 nan 0.000 0.454 37 L N 1.533 122.789 121.223 0.055 0.000 2.012 37 L HA -0.029 4.315 4.340 0.006 0.000 0.210 37 L C 2.619 179.536 176.870 0.078 0.000 1.073 37 L CA 1.987 56.866 54.840 0.066 0.000 0.748 37 L CB -0.971 41.121 42.059 0.055 0.000 0.891 37 L HN 0.234 nan 8.230 nan 0.000 0.431 38 A N -1.185 121.676 122.820 0.068 0.000 1.898 38 A HA -0.245 4.078 4.320 0.006 0.000 0.216 38 A C 2.113 179.746 177.584 0.082 0.000 1.181 38 A CA 1.790 53.870 52.037 0.072 0.000 0.620 38 A CB -0.899 18.135 19.000 0.057 0.000 0.819 38 A HN 0.541 nan 8.150 nan 0.000 0.442 39 D N -0.135 120.308 120.400 0.070 0.000 2.144 39 D HA -0.128 4.515 4.640 0.006 0.000 0.200 39 D C 1.657 178.010 176.300 0.088 0.000 0.978 39 D CA 1.088 55.129 54.000 0.068 0.000 0.833 39 D CB -0.246 40.583 40.800 0.048 0.000 0.961 39 D HN 0.301 nan 8.370 nan 0.000 0.470 40 N N -0.164 118.598 118.700 0.103 0.000 2.137 40 N HA -0.143 4.600 4.740 0.006 0.000 0.190 40 N C 1.837 177.502 175.510 0.258 0.000 1.017 40 N CA 0.792 53.928 53.050 0.143 0.000 0.859 40 N CB -0.147 38.431 38.487 0.150 0.000 1.002 40 N HN 0.376 nan 8.380 nan 0.000 0.428 41 I N 0.057 120.765 120.570 0.230 0.000 2.429 41 I HA -0.054 4.120 4.170 0.006 0.000 0.247 41 I C 2.209 178.477 176.117 0.252 0.000 1.099 41 I CA 0.593 62.056 61.300 0.271 0.000 1.422 41 I CB -0.241 37.865 38.000 0.177 0.000 1.112 41 I HN 0.004 nan 8.210 nan 0.000 0.430 42 A N 0.938 123.856 122.820 0.163 0.000 1.908 42 A HA -0.217 4.107 4.320 0.006 0.000 0.218 42 A C 2.510 180.174 177.584 0.135 0.000 1.181 42 A CA 2.015 54.128 52.037 0.127 0.000 0.627 42 A CB -0.929 18.119 19.000 0.081 0.000 0.818 42 A HN 0.425 nan 8.150 nan 0.000 0.445 43 A N -1.346 121.543 122.820 0.116 0.000 1.940 43 A HA -0.053 4.270 4.320 0.006 0.000 0.219 43 A C 1.979 179.672 177.584 0.180 0.000 1.176 43 A CA 1.459 53.546 52.037 0.083 0.000 0.631 43 A CB -0.767 18.242 19.000 0.016 0.000 0.814 43 A HN 0.508 nan 8.150 nan 0.000 0.446 44 F N 0.631 120.714 119.950 0.222 0.000 2.171 44 F HA -0.163 4.367 4.527 0.004 0.000 0.300 44 F C 2.742 178.676 175.800 0.223 0.000 1.090 44 F CA 1.608 59.750 58.000 0.236 0.000 1.293 44 F CB -0.086 38.996 39.000 0.137 0.000 1.013 44 F HN 0.155 nan 8.300 nan 0.000 0.486 45 S N -0.367 115.529 115.700 0.325 0.000 2.423 45 S HA -0.125 4.349 4.470 0.006 0.000 0.231 45 S C 1.870 176.560 174.600 0.149 0.000 1.014 45 S CA 0.788 59.111 58.200 0.205 0.000 0.965 45 S CB -0.256 63.029 63.200 0.142 0.000 0.785 45 S HN 0.351 nan 8.310 nan 0.000 0.495 46 R N -0.427 120.138 120.500 0.108 0.000 2.153 46 R HA 0.005 4.349 4.340 0.006 0.000 0.218 46 R C -0.235 176.025 176.300 -0.067 0.000 1.072 46 R CA 0.411 56.492 56.100 -0.031 0.000 0.990 46 R CB -0.009 30.201 30.300 -0.151 0.000 0.889 46 R HN 0.372 nan 8.270 nan 0.000 0.452 47 W N 2.727 124.070 121.300 0.071 0.000 2.485 47 W HA 0.133 4.796 4.660 0.005 0.000 0.315 47 W C 0.197 176.785 176.519 0.116 0.000 1.304 47 W CA -0.359 57.041 57.345 0.091 0.000 1.345 47 W CB 0.552 30.063 29.460 0.085 0.000 1.368 47 W HN -0.343 nan 8.180 nan 0.000 0.497 48 K N 4.238 124.838 120.400 0.333 0.000 2.110 48 K HA 0.494 4.818 4.320 0.006 0.000 0.263 48 K C -0.485 176.266 176.600 0.251 0.000 0.975 48 K CA -0.936 55.477 56.287 0.211 0.000 0.895 48 K CB 1.513 34.079 32.500 0.110 0.000 1.060 48 K HN 0.414 nan 8.250 nan 0.000 0.448 49 L N 2.425 123.690 121.223 0.069 0.000 2.307 49 L HA 0.332 4.675 4.340 0.006 0.000 0.282 49 L C -0.509 176.278 176.870 -0.139 0.000 1.051 49 L CA -0.697 54.196 54.840 0.088 0.000 0.804 49 L CB 0.480 42.577 42.059 0.064 0.000 1.197 49 L HN 0.483 nan 8.230 nan 0.000 0.431 50 Y N 3.169 123.511 120.300 0.070 0.000 2.863 50 Y HA 0.274 4.828 4.550 0.006 0.000 0.348 50 Y C -1.920 174.003 175.900 0.038 0.000 1.028 50 Y CA -2.158 55.973 58.100 0.051 0.000 1.213 50 Y CB 0.513 39.005 38.460 0.053 0.000 1.120 50 Y HN 0.386 nan 8.280 nan 0.000 0.598 51 P HA 0.190 nan 4.420 nan 0.000 0.275 51 P C -0.473 176.863 177.300 0.059 0.000 1.228 51 P CA -0.322 62.812 63.100 0.056 0.000 0.786 51 P CB 1.236 32.945 31.700 0.014 0.000 0.927 52 R N 2.196 122.724 120.500 0.047 0.000 2.404 52 R HA 0.480 4.824 4.340 0.006 0.000 0.291 52 R C 0.468 176.779 176.300 0.018 0.000 1.025 52 R CA -0.696 55.425 56.100 0.036 0.000 0.991 52 R CB 0.651 30.969 30.300 0.030 0.000 1.053 52 R HN 0.460 nan 8.270 nan 0.000 0.479 53 M N 2.508 122.118 119.600 0.016 0.000 2.573 53 M HA 0.270 4.754 4.480 0.006 0.000 0.309 53 M C 0.533 176.836 176.300 0.004 0.000 1.202 53 M CA -0.751 54.553 55.300 0.007 0.000 0.975 53 M CB 0.639 33.243 32.600 0.008 0.000 1.600 53 M HN 0.597 nan 8.290 nan 0.000 0.479 54 L N 0.380 121.603 121.223 -0.000 0.000 3.634 54 L HA -0.262 4.081 4.340 0.006 0.000 0.423 54 L C 0.856 177.725 176.870 -0.002 0.000 1.253 54 L CA 0.061 54.900 54.840 -0.001 0.000 0.885 54 L CB -1.271 40.789 42.059 0.001 0.000 1.789 54 L HN 0.735 nan 8.230 nan 0.000 0.904 55 R N 0.139 120.636 120.500 -0.005 0.000 2.362 55 R HA 0.165 4.508 4.340 0.006 0.000 0.227 55 R C 0.728 177.023 176.300 -0.009 0.000 0.905 55 R CA 0.024 56.121 56.100 -0.006 0.000 1.067 55 R CB 0.121 30.417 30.300 -0.006 0.000 1.078 55 R HN 0.558 nan 8.270 nan 0.000 0.516 56 N N 1.105 119.798 118.700 -0.011 0.000 2.422 56 N HA -0.131 4.613 4.740 0.006 0.000 0.289 56 N C -0.140 175.359 175.510 -0.019 0.000 1.385 56 N CA 0.668 53.710 53.050 -0.013 0.000 0.639 56 N CB -0.561 37.920 38.487 -0.010 0.000 0.914 56 N HN 0.085 nan 8.380 nan 0.000 0.516 57 V N 0.723 120.623 119.914 -0.023 0.000 3.006 57 V HA 0.634 4.757 4.120 0.006 0.000 0.357 57 V C 1.794 177.869 176.094 -0.032 0.000 1.377 57 V CA 0.500 62.781 62.300 -0.033 0.000 1.198 57 V CB 0.207 32.005 31.823 -0.042 0.000 1.216 57 V HN 0.600 nan 8.190 nan 0.000 0.520 58 A N 1.068 123.874 122.820 -0.024 0.000 1.978 58 A HA -0.084 4.239 4.320 0.006 0.000 0.220 58 A C 1.316 178.886 177.584 -0.023 0.000 1.170 58 A CA 1.697 53.722 52.037 -0.021 0.000 0.636 58 A CB -0.257 18.733 19.000 -0.016 0.000 0.810 58 A HN 0.737 nan 8.150 nan 0.000 0.448 59 E N 0.798 120.984 120.200 -0.024 0.000 3.568 59 E HA 0.184 4.537 4.350 0.006 0.000 0.213 59 E C -0.840 175.743 176.600 -0.028 0.000 1.197 59 E CA -0.258 56.128 56.400 -0.022 0.000 1.126 59 E CB 0.484 30.175 29.700 -0.016 0.000 1.285 59 E HN 0.485 nan 8.360 nan 0.000 0.418 60 T N -1.011 113.519 114.554 -0.040 0.000 2.834 60 T HA 0.132 4.486 4.350 0.006 0.000 0.298 60 T C -0.043 174.634 174.700 -0.040 0.000 0.966 60 T CA -0.703 61.364 62.100 -0.056 0.000 1.141 60 T CB 1.296 70.109 68.868 -0.092 0.000 0.905 60 T HN 0.016 nan 8.240 nan 0.000 0.535 61 D N 2.914 123.296 120.400 -0.029 0.000 2.414 61 D HA 0.262 4.905 4.640 0.006 0.000 0.232 61 D C 0.272 176.582 176.300 0.017 0.000 1.070 61 D CA -0.961 53.037 54.000 -0.003 0.000 0.839 61 D CB 1.092 41.894 40.800 0.003 0.000 1.079 61 D HN 0.331 nan 8.370 nan 0.000 0.521 62 L N 2.557 123.808 121.223 0.046 0.000 2.592 62 L HA 0.129 4.472 4.340 0.006 0.000 0.227 62 L C 1.079 178.029 176.870 0.134 0.000 1.127 62 L CA 0.164 55.084 54.840 0.134 0.000 0.884 62 L CB -0.649 41.517 42.059 0.180 0.000 1.065 62 L HN 0.373 nan 8.230 nan 0.000 0.457 63 S N -2.128 113.617 115.700 0.076 0.000 2.585 63 S HA 0.511 4.985 4.470 0.006 0.000 0.273 63 S C 0.306 174.944 174.600 0.064 0.000 1.339 63 S CA -0.188 58.047 58.200 0.058 0.000 1.028 63 S CB 1.890 65.112 63.200 0.037 0.000 0.906 63 S HN 0.200 nan 8.310 nan 0.000 0.528 64 T N -0.082 114.506 114.554 0.056 0.000 2.637 64 T HA 0.654 5.008 4.350 0.006 0.000 0.303 64 T C -1.531 173.208 174.700 0.066 0.000 1.288 64 T CA -0.080 62.056 62.100 0.061 0.000 1.040 64 T CB 0.775 69.682 68.868 0.065 0.000 1.644 64 T HN 1.461 nan 8.240 nan 0.000 0.480 65 S N 0.073 115.823 115.700 0.084 0.000 2.569 65 S HA 0.794 5.267 4.470 0.006 0.000 0.280 65 S C -1.634 173.062 174.600 0.161 0.000 1.111 65 S CA -0.626 57.639 58.200 0.108 0.000 0.887 65 S CB 1.689 64.944 63.200 0.091 0.000 1.095 65 S HN 0.612 nan 8.310 nan 0.000 0.476 66 V N 3.454 123.493 119.914 0.209 0.000 2.443 66 V HA 0.458 4.582 4.120 0.006 0.000 0.293 66 V C 0.021 176.276 176.094 0.269 0.000 1.021 66 V CA -0.871 61.597 62.300 0.280 0.000 0.848 66 V CB 0.651 32.611 31.823 0.227 0.000 0.998 66 V HN 1.034 nan 8.190 nan 0.000 0.424 67 L N 5.092 126.473 121.223 0.264 0.000 3.678 67 L HA -0.258 4.086 4.340 0.006 0.000 0.425 67 L C 1.372 178.331 176.870 0.149 0.000 1.240 67 L CA 0.704 55.656 54.840 0.185 0.000 0.876 67 L CB -1.761 40.390 42.059 0.153 0.000 1.766 67 L HN 1.147 nan 8.230 nan 0.000 0.917 68 G N -1.907 106.971 108.800 0.130 0.000 2.179 68 G HA2 -0.263 3.700 3.960 0.006 0.000 0.260 68 G HA3 -0.263 3.700 3.960 0.006 0.000 0.260 68 G C 0.208 175.169 174.900 0.101 0.000 0.977 68 G CA 0.413 45.571 45.100 0.097 0.000 0.641 68 G HN 0.435 nan 8.290 nan 0.000 0.533 69 Q N 0.436 120.318 119.800 0.138 0.000 2.307 69 Q HA 0.436 4.780 4.340 0.006 0.000 0.262 69 Q C 0.314 176.379 176.000 0.108 0.000 0.961 69 Q CA -0.794 55.081 55.803 0.120 0.000 0.882 69 Q CB 1.297 30.131 28.738 0.160 0.000 1.264 69 Q HN 0.226 nan 8.270 nan 0.000 0.446 70 R N 1.257 121.795 120.500 0.064 0.000 2.522 70 R HA 0.191 4.535 4.340 0.006 0.000 0.284 70 R C 0.101 176.427 176.300 0.042 0.000 1.032 70 R CA 0.038 56.168 56.100 0.050 0.000 1.049 70 R CB -0.065 30.252 30.300 0.028 0.000 0.956 70 R HN 0.475 nan 8.270 nan 0.000 0.422 71 V N -0.827 119.114 119.914 0.045 0.000 3.001 71 V HA 0.386 4.509 4.120 0.006 0.000 0.314 71 V C 1.154 177.257 176.094 0.015 0.000 1.099 71 V CA -0.511 61.804 62.300 0.024 0.000 0.989 71 V CB 2.065 33.911 31.823 0.038 0.000 1.040 71 V HN 0.759 nan 8.190 nan 0.000 0.434 72 S N 2.219 117.919 115.700 -0.001 0.000 2.481 72 S HA 0.158 4.631 4.470 0.006 0.000 0.231 72 S C 0.528 175.143 174.600 0.026 0.000 0.996 72 S CA 1.032 59.236 58.200 0.007 0.000 0.942 72 S CB -0.626 62.570 63.200 -0.006 0.000 0.768 72 S HN 1.218 nan 8.310 nan 0.000 0.520 73 M N -1.925 117.681 119.600 0.010 0.000 2.643 73 M HA 0.471 4.954 4.480 0.006 0.000 0.276 73 M C -3.235 173.025 176.300 -0.066 0.000 1.200 73 M CA -1.815 53.495 55.300 0.016 0.000 0.863 73 M CB 1.611 34.220 32.600 0.015 0.000 1.711 73 M HN -0.328 nan 8.290 nan 0.000 0.492 74 P HA 0.377 nan 4.420 nan 0.000 0.235 74 P C -0.993 176.112 177.300 -0.326 0.000 1.725 74 P CA 0.321 63.301 63.100 -0.200 0.000 0.894 74 P CB -0.657 30.928 31.700 -0.193 0.000 1.704 75 I N 0.073 120.464 120.570 -0.299 0.000 2.497 75 I HA 0.301 4.474 4.170 0.006 0.000 0.284 75 I C -0.279 175.666 176.117 -0.285 0.000 1.060 75 I CA -0.561 60.548 61.300 -0.318 0.000 1.071 75 I CB 1.647 39.484 38.000 -0.271 0.000 1.216 75 I HN -0.022 nan 8.210 nan 0.000 0.442 76 C N 4.458 123.508 119.300 -0.417 0.000 2.913 76 C HA 0.611 5.075 4.460 0.006 0.000 0.322 76 C C 0.224 175.124 174.990 -0.150 0.000 1.292 76 C CA -0.798 58.027 59.018 -0.322 0.000 1.649 76 C CB 2.284 29.707 27.740 -0.528 0.000 2.139 76 C HN 0.422 nan 8.230 nan 0.000 0.475 77 V N 2.277 122.219 119.914 0.047 0.000 2.385 77 V HA 0.529 4.653 4.120 0.006 0.000 0.269 77 V C 0.911 177.128 176.094 0.205 0.000 1.043 77 V CA 0.338 62.681 62.300 0.071 0.000 0.906 77 V CB 0.797 32.621 31.823 0.003 0.000 0.995 77 V HN 1.079 nan 8.190 nan 0.000 0.467 78 G N 3.619 112.496 108.800 0.129 0.000 2.507 78 G HA2 0.528 4.491 3.960 0.006 0.000 0.271 78 G HA3 0.528 4.491 3.960 0.006 0.000 0.271 78 G C 0.195 175.025 174.900 -0.116 0.000 1.189 78 G CA -0.141 44.941 45.100 -0.030 0.000 0.859 78 G HN 1.086 nan 8.290 nan 0.000 0.542 79 A N 1.136 123.825 122.820 -0.217 0.000 2.522 79 A HA 0.535 4.858 4.320 0.006 0.000 0.256 79 A C 0.817 178.335 177.584 -0.109 0.000 1.086 79 A CA 0.529 52.471 52.037 -0.159 0.000 0.763 79 A CB -0.319 18.542 19.000 -0.231 0.000 1.024 79 A HN 1.351 nan 8.150 nan 0.000 0.502 80 T N 0.666 115.204 114.554 -0.028 0.000 2.890 80 T HA 0.665 5.018 4.350 0.006 0.000 0.295 80 T C -0.083 174.724 174.700 0.177 0.000 0.993 80 T CA 0.029 62.152 62.100 0.038 0.000 0.979 80 T CB 1.108 69.940 68.868 -0.061 0.000 0.967 80 T HN 1.493 nan 8.240 nan 0.000 0.441 81 A N 4.768 127.783 122.820 0.324 0.000 2.520 81 A HA 0.518 4.841 4.320 0.006 0.000 0.235 81 A C 1.162 179.016 177.584 0.450 0.000 1.065 81 A CA -0.226 52.080 52.037 0.449 0.000 0.764 81 A CB -0.748 18.656 19.000 0.674 0.000 1.002 81 A HN 1.310 nan 8.150 nan 0.000 0.502 82 M N 0.277 120.100 119.600 0.371 0.000 2.298 82 M HA -0.225 4.259 4.480 0.006 0.000 0.196 82 M C 0.736 177.264 176.300 0.380 0.000 0.531 82 M CA 0.845 56.344 55.300 0.331 0.000 0.459 82 M CB -1.754 31.022 32.600 0.294 0.000 1.279 82 M HN 0.948 nan 8.290 nan 0.000 0.915 83 Q N -0.163 119.815 119.800 0.297 0.000 2.297 83 Q HA -0.040 4.303 4.340 0.006 0.000 0.204 83 Q C 1.753 177.911 176.000 0.264 0.000 0.962 83 Q CA 0.978 56.935 55.803 0.258 0.000 0.879 83 Q CB 0.079 28.902 28.738 0.141 0.000 0.947 83 Q HN 0.630 nan 8.270 nan 0.000 0.462 84 R N 0.001 120.637 120.500 0.227 0.000 2.285 84 R HA -0.007 4.337 4.340 0.006 0.000 0.213 84 R C 1.899 178.323 176.300 0.207 0.000 1.068 84 R CA 0.662 56.877 56.100 0.192 0.000 1.004 84 R CB -0.052 30.328 30.300 0.134 0.000 0.873 84 R HN 0.361 nan 8.270 nan 0.000 0.467 85 M N -0.480 119.285 119.600 0.276 0.000 2.229 85 M HA -0.073 4.411 4.480 0.006 0.000 0.264 85 M C 2.311 178.826 176.300 0.359 0.000 1.063 85 M CA 1.438 56.901 55.300 0.272 0.000 1.114 85 M CB -0.105 32.643 32.600 0.246 0.000 1.387 85 M HN 0.179 nan 8.290 nan 0.000 0.420 86 A N -1.259 121.839 122.820 0.463 0.000 1.975 86 A HA -0.019 4.304 4.320 0.006 0.000 0.215 86 A C 0.649 178.450 177.584 0.362 0.000 1.170 86 A CA 1.106 53.409 52.037 0.444 0.000 0.656 86 A CB -0.153 19.033 19.000 0.310 0.000 0.821 86 A HN 0.569 nan 8.150 nan 0.000 0.449 87 H N -2.903 116.278 119.070 0.184 0.000 3.112 87 H HA 0.322 4.881 4.556 0.005 0.000 0.347 87 H C 0.701 176.092 175.328 0.105 0.000 1.188 87 H CA -0.082 56.044 56.048 0.131 0.000 1.240 87 H CB 1.341 31.172 29.762 0.113 0.000 1.920 87 H HN 0.150 nan 8.280 nan 0.000 0.535 88 V N 0.346 120.065 119.914 -0.325 0.000 2.370 88 V HA -0.219 3.904 4.120 0.006 0.000 0.252 88 V C 1.179 177.312 176.094 0.064 0.000 1.068 88 V CA 2.311 64.539 62.300 -0.121 0.000 1.061 88 V CB -0.258 31.451 31.823 -0.190 0.000 0.656 88 V HN 0.746 nan 8.190 nan 0.000 0.455 89 D N 0.734 121.289 120.400 0.259 0.000 2.347 89 D HA 0.183 4.827 4.640 0.006 0.000 0.213 89 D C 1.893 178.305 176.300 0.188 0.000 0.985 89 D CA 1.071 55.214 54.000 0.239 0.000 0.879 89 D CB 0.093 41.052 40.800 0.265 0.000 0.919 89 D HN 0.662 nan 8.370 nan 0.000 0.526 90 G N 2.043 110.976 108.800 0.222 0.000 2.686 90 G HA2 -0.471 3.492 3.960 0.006 0.000 0.359 90 G HA3 -0.471 3.492 3.960 0.006 0.000 0.359 90 G C 1.144 176.106 174.900 0.104 0.000 1.222 90 G CA 1.231 46.428 45.100 0.163 0.000 0.956 90 G HN 0.279 nan 8.290 nan 0.000 0.565 91 E N 0.556 120.813 120.200 0.095 0.000 2.160 91 E HA 0.008 4.361 4.350 0.006 0.000 0.195 91 E C 2.715 179.342 176.600 0.046 0.000 0.991 91 E CA 1.238 57.679 56.400 0.068 0.000 0.810 91 E CB -0.219 29.530 29.700 0.082 0.000 0.742 91 E HN 0.520 nan 8.360 nan 0.000 0.466 92 L N -0.029 121.226 121.223 0.054 0.000 2.056 92 L HA -0.129 4.214 4.340 0.006 0.000 0.207 92 L C 2.448 179.329 176.870 0.019 0.000 1.078 92 L CA 1.109 55.970 54.840 0.036 0.000 0.749 92 L CB -0.705 41.381 42.059 0.046 0.000 0.901 92 L HN 0.173 nan 8.230 nan 0.000 0.433 93 A N 0.043 122.881 122.820 0.029 0.000 1.902 93 A HA -0.197 4.127 4.320 0.006 0.000 0.217 93 A C 2.389 179.956 177.584 -0.029 0.000 1.181 93 A CA 2.389 54.422 52.037 -0.008 0.000 0.623 93 A CB -0.938 18.039 19.000 -0.039 0.000 0.818 93 A HN 0.382 nan 8.150 nan 0.000 0.443 94 T N -0.798 113.744 114.554 -0.019 0.000 2.708 94 T HA -0.142 4.211 4.350 0.006 0.000 0.266 94 T C 1.848 176.519 174.700 -0.047 0.000 1.037 94 T CA 1.566 63.645 62.100 -0.035 0.000 1.146 94 T CB -0.550 68.303 68.868 -0.024 0.000 0.865 94 T HN 0.169 nan 8.240 nan 0.000 0.435 95 V N 1.389 121.279 119.914 -0.041 0.000 2.427 95 V HA -0.151 3.973 4.120 0.006 0.000 0.248 95 V C 2.536 178.585 176.094 -0.075 0.000 1.051 95 V CA 1.645 63.904 62.300 -0.069 0.000 1.048 95 V CB -0.416 31.367 31.823 -0.067 0.000 0.666 95 V HN 0.388 nan 8.190 nan 0.000 0.456 96 R N 0.020 120.488 120.500 -0.053 0.000 2.081 96 R HA -0.096 4.247 4.340 0.006 0.000 0.235 96 R C 2.392 178.659 176.300 -0.055 0.000 1.131 96 R CA 1.478 57.548 56.100 -0.050 0.000 0.960 96 R CB -0.614 29.666 30.300 -0.033 0.000 0.856 96 R HN 0.577 nan 8.270 nan 0.000 0.436 97 A N 0.586 123.373 122.820 -0.055 0.000 1.902 97 A HA -0.171 4.153 4.320 0.006 0.000 0.217 97 A C 2.365 179.908 177.584 -0.069 0.000 1.181 97 A CA 1.361 53.363 52.037 -0.057 0.000 0.623 97 A CB -0.780 18.185 19.000 -0.058 0.000 0.818 97 A HN 0.443 nan 8.150 nan 0.000 0.443 98 C N -1.186 118.064 119.300 -0.083 0.000 2.429 98 C HA -0.113 4.351 4.460 0.006 0.000 0.277 98 C C 2.842 177.768 174.990 -0.107 0.000 1.262 98 C CA 1.277 60.233 59.018 -0.103 0.000 1.733 98 C CB -1.247 26.415 27.740 -0.131 0.000 2.010 98 C HN 0.779 nan 8.230 nan 0.000 0.483 99 Q N 0.854 120.592 119.800 -0.104 0.000 2.061 99 Q HA -0.186 4.157 4.340 0.006 0.000 0.204 99 Q C 2.280 178.236 176.000 -0.073 0.000 0.984 99 Q CA 2.137 57.882 55.803 -0.097 0.000 0.846 99 Q CB -0.118 28.566 28.738 -0.091 0.000 0.902 99 Q HN 0.638 nan 8.270 nan 0.000 0.421 100 S N 0.561 116.225 115.700 -0.060 0.000 2.365 100 S HA -0.132 4.341 4.470 0.006 0.000 0.225 100 S C 1.707 176.280 174.600 -0.045 0.000 1.039 100 S CA 0.937 59.110 58.200 -0.046 0.000 1.033 100 S CB -0.214 62.964 63.200 -0.037 0.000 0.887 100 S HN 0.371 nan 8.310 nan 0.000 0.447 101 L N 0.599 121.790 121.223 -0.053 0.000 2.291 101 L HA 0.055 4.398 4.340 0.006 0.000 0.214 101 L C 1.832 178.673 176.870 -0.049 0.000 1.120 101 L CA 1.394 56.205 54.840 -0.049 0.000 0.799 101 L CB -1.854 40.170 42.059 -0.058 0.000 0.925 101 L HN 0.577 nan 8.230 nan 0.000 0.446 102 G N 0.381 109.144 108.800 -0.061 0.000 2.176 102 G HA2 -0.275 3.689 3.960 0.006 0.000 0.252 102 G HA3 -0.275 3.689 3.960 0.006 0.000 0.252 102 G C 0.431 175.289 174.900 -0.070 0.000 1.024 102 G CA 0.761 45.823 45.100 -0.063 0.000 0.755 102 G HN 0.385 nan 8.290 nan 0.000 0.507 103 T N -1.302 113.197 114.554 -0.091 0.000 2.927 103 T HA 0.757 5.110 4.350 0.006 0.000 0.286 103 T C 0.829 175.426 174.700 -0.172 0.000 1.040 103 T CA 0.598 62.639 62.100 -0.098 0.000 1.010 103 T CB 1.444 70.261 68.868 -0.085 0.000 1.177 103 T HN 1.180 nan 8.240 nan 0.000 0.546 104 G N 1.203 109.892 108.800 -0.185 0.000 2.412 104 G HA2 0.582 4.546 3.960 0.006 0.000 0.318 104 G HA3 0.582 4.546 3.960 0.006 0.000 0.318 104 G C -0.920 173.784 174.900 -0.327 0.000 1.146 104 G CA -0.584 44.180 45.100 -0.559 0.000 0.882 104 G HN 0.725 nan 8.290 nan 0.000 0.501 105 M N 2.912 122.243 119.600 -0.448 0.000 2.243 105 M HA 0.487 4.971 4.480 0.006 0.000 0.324 105 M C -0.575 175.767 176.300 0.069 0.000 1.031 105 M CA -0.745 54.492 55.300 -0.104 0.000 0.949 105 M CB 1.737 34.266 32.600 -0.119 0.000 1.615 105 M HN 0.514 nan 8.290 nan 0.000 0.430 106 M N 6.100 125.865 119.600 0.274 0.000 2.084 106 M HA 0.301 4.784 4.480 0.006 0.000 0.351 106 M C -1.751 174.579 176.300 0.050 0.000 1.240 106 M CA -0.824 54.590 55.300 0.191 0.000 1.083 106 M CB 0.856 33.320 32.600 -0.228 0.000 1.593 106 M HN 0.750 nan 8.290 nan 0.000 0.463 107 L N 5.231 126.518 121.223 0.106 0.000 2.265 107 L HA 0.336 4.679 4.340 0.006 0.000 0.288 107 L C -0.041 176.835 176.870 0.009 0.000 1.058 107 L CA 0.463 55.352 54.840 0.081 0.000 0.809 107 L CB 1.396 43.556 42.059 0.169 0.000 1.179 107 L HN 0.788 nan 8.230 nan 0.000 0.429 108 S N 2.862 118.567 115.700 0.008 0.000 2.549 108 S HA 0.024 4.497 4.470 0.006 0.000 0.286 108 S C 1.383 176.008 174.600 0.042 0.000 1.314 108 S CA 0.276 58.469 58.200 -0.011 0.000 1.062 108 S CB 0.653 63.906 63.200 0.089 0.000 0.865 108 S HN 0.847 nan 8.310 nan 0.000 0.498 109 S N 3.607 119.305 115.700 -0.003 0.000 2.419 109 S HA -0.053 4.420 4.470 0.006 0.000 0.235 109 S C 0.396 175.310 174.600 0.523 0.000 1.019 109 S CA 0.830 59.151 58.200 0.201 0.000 0.982 109 S CB -0.215 63.170 63.200 0.308 0.000 0.789 109 S HN 0.844 nan 8.310 nan 0.000 0.490 110 W N 2.116 123.658 121.300 0.405 0.000 3.121 110 W HA 0.627 5.290 4.660 0.005 0.000 0.441 110 W C 0.441 177.098 176.519 0.230 0.000 0.878 110 W CA -2.023 55.525 57.345 0.338 0.000 2.101 110 W CB -1.668 27.937 29.460 0.241 0.000 1.067 110 W HN 0.085 nan 8.180 nan 0.000 0.834 111 A N 0.661 123.702 122.820 0.368 0.000 2.407 111 A HA 0.393 4.717 4.320 0.006 0.000 0.248 111 A C 1.308 179.024 177.584 0.221 0.000 1.082 111 A CA 0.207 52.391 52.037 0.245 0.000 0.785 111 A CB 0.429 19.523 19.000 0.156 0.000 1.020 111 A HN 0.240 nan 8.150 nan 0.000 0.489 112 T N -0.700 113.967 114.554 0.188 0.000 3.219 112 T HA 0.301 4.655 4.350 0.006 0.000 0.249 112 T C 0.337 175.105 174.700 0.113 0.000 1.099 112 T CA 0.401 62.592 62.100 0.151 0.000 0.988 112 T CB -0.450 68.506 68.868 0.148 0.000 0.999 112 T HN 0.404 nan 8.240 nan 0.000 0.550 113 S N 1.495 117.258 115.700 0.104 0.000 2.541 113 S HA 0.613 5.086 4.470 0.006 0.000 0.280 113 S C -0.113 174.518 174.600 0.053 0.000 1.112 113 S CA -1.019 57.226 58.200 0.075 0.000 0.925 113 S CB 1.997 65.242 63.200 0.076 0.000 1.067 113 S HN 0.580 nan 8.310 nan 0.000 0.479 114 S N 1.481 117.198 115.700 0.028 0.000 2.585 114 S HA 0.340 4.813 4.470 0.006 0.000 0.273 114 S C 1.352 175.956 174.600 0.006 0.000 1.339 114 S CA -0.619 57.575 58.200 -0.010 0.000 1.028 114 S CB -0.142 63.046 63.200 -0.020 0.000 0.906 114 S HN 0.595 nan 8.310 nan 0.000 0.528 115 I N 1.063 121.603 120.570 -0.050 0.000 2.143 115 I HA -0.272 3.901 4.170 0.006 0.000 0.245 115 I C 2.833 179.005 176.117 0.091 0.000 1.068 115 I CA 2.267 63.533 61.300 -0.057 0.000 1.326 115 I CB -0.437 37.413 38.000 -0.249 0.000 1.028 115 I HN 0.902 nan 8.210 nan 0.000 0.412 116 E N 0.755 120.980 120.200 0.041 0.000 2.072 116 E HA -0.255 4.098 4.350 0.006 0.000 0.191 116 E C 2.081 178.719 176.600 0.062 0.000 0.985 116 E CA 1.301 57.739 56.400 0.063 0.000 0.801 116 E CB 0.037 29.753 29.700 0.026 0.000 0.750 116 E HN 0.471 nan 8.360 nan 0.000 0.452 117 E N -0.286 119.942 120.200 0.048 0.000 2.085 117 E HA -0.188 4.166 4.350 0.006 0.000 0.194 117 E C 2.109 178.740 176.600 0.051 0.000 0.994 117 E CA 1.485 57.910 56.400 0.042 0.000 0.801 117 E CB 0.126 29.849 29.700 0.039 0.000 0.743 117 E HN 0.129 nan 8.360 nan 0.000 0.453 118 V N 0.934 120.896 119.914 0.081 0.000 2.358 118 V HA -0.263 3.860 4.120 0.006 0.000 0.246 118 V C 2.261 178.377 176.094 0.036 0.000 1.047 118 V CA 1.762 64.111 62.300 0.081 0.000 1.035 118 V CB -0.702 31.206 31.823 0.141 0.000 0.658 118 V HN 0.352 nan 8.190 nan 0.000 0.452 119 A N -0.370 122.496 122.820 0.076 0.000 1.940 119 A HA -0.258 4.065 4.320 0.006 0.000 0.219 119 A C 2.132 179.696 177.584 -0.033 0.000 1.176 119 A CA 2.067 54.088 52.037 -0.027 0.000 0.631 119 A CB -0.484 18.554 19.000 0.064 0.000 0.814 119 A HN 0.529 nan 8.150 nan 0.000 0.446 120 E N -0.268 119.933 120.200 0.001 0.000 2.106 120 E HA 0.000 4.354 4.350 0.006 0.000 0.192 120 E C 2.165 178.755 176.600 -0.016 0.000 0.984 120 E CA 1.322 57.719 56.400 -0.006 0.000 0.806 120 E CB -0.360 29.345 29.700 0.008 0.000 0.750 120 E HN 0.559 nan 8.360 nan 0.000 0.458 121 A N -0.379 122.433 122.820 -0.013 0.000 1.970 121 A HA 0.151 4.475 4.320 0.006 0.000 0.216 121 A C 1.631 179.191 177.584 -0.040 0.000 1.170 121 A CA 1.238 53.265 52.037 -0.017 0.000 0.645 121 A CB -0.043 18.956 19.000 -0.003 0.000 0.816 121 A HN 0.212 nan 8.150 nan 0.000 0.447 122 G N -0.550 108.211 108.800 -0.065 0.000 4.713 122 G HA2 0.452 4.416 3.960 0.006 0.000 0.318 122 G HA3 0.452 4.416 3.960 0.006 0.000 0.318 122 G C -1.558 173.264 174.900 -0.129 0.000 1.435 122 G CA -0.485 44.556 45.100 -0.098 0.000 0.965 122 G HN 0.159 nan 8.290 nan 0.000 0.542 123 P HA -0.094 nan 4.420 nan 0.000 0.217 123 P C 1.081 178.306 177.300 -0.125 0.000 1.150 123 P CA 1.070 64.106 63.100 -0.107 0.000 0.832 123 P CB 0.641 32.300 31.700 -0.069 0.000 0.787 124 E N -0.343 119.791 120.200 -0.111 0.000 2.442 124 E HA 0.151 4.504 4.350 0.006 0.000 0.195 124 E C 1.082 177.596 176.600 -0.144 0.000 1.030 124 E CA -0.050 56.283 56.400 -0.111 0.000 0.869 124 E CB -0.551 29.100 29.700 -0.081 0.000 0.857 124 E HN 0.175 nan 8.360 nan 0.000 0.505 125 A N 1.527 124.242 122.820 -0.176 0.000 2.477 125 A HA 0.127 4.450 4.320 0.006 0.000 0.246 125 A C 0.310 177.707 177.584 -0.311 0.000 1.078 125 A CA -0.248 51.656 52.037 -0.222 0.000 0.770 125 A CB 0.082 18.949 19.000 -0.222 0.000 1.011 125 A HN 0.290 nan 8.150 nan 0.000 0.494 126 L N 2.841 123.852 121.223 -0.353 0.000 2.477 126 L HA 0.206 4.549 4.340 0.006 0.000 0.272 126 L C 0.224 176.612 176.870 -0.803 0.000 1.157 126 L CA 0.467 54.995 54.840 -0.521 0.000 0.889 126 L CB -0.001 41.758 42.059 -0.500 0.000 1.158 126 L HN 0.810 nan 8.230 nan 0.000 0.473 127 R N 5.255 125.247 120.500 -0.847 0.000 2.628 127 R HA 0.518 4.861 4.340 0.006 0.000 0.288 127 R C -1.451 174.528 176.300 -0.534 0.000 0.980 127 R CA -0.619 55.017 56.100 -0.773 0.000 0.891 127 R CB 2.110 31.866 30.300 -0.907 0.000 1.188 127 R HN 0.530 nan 8.270 nan 0.000 0.450 128 W N 3.190 124.595 121.300 0.176 0.000 2.864 128 W HA 0.411 5.074 4.660 0.005 0.000 0.343 128 W C -0.833 175.879 176.519 0.322 0.000 1.109 128 W CA -1.071 56.457 57.345 0.306 0.000 1.192 128 W CB 1.280 30.927 29.460 0.312 0.000 1.426 128 W HN 0.232 nan 8.180 nan 0.000 0.529 129 L N 2.755 124.251 121.223 0.455 0.000 2.282 129 L HA 0.274 4.617 4.340 0.006 0.000 0.288 129 L C 0.209 177.158 176.870 0.131 0.000 1.033 129 L CA -0.284 54.642 54.840 0.143 0.000 0.807 129 L CB 1.207 43.212 42.059 -0.089 0.000 1.209 129 L HN 0.320 nan 8.230 nan 0.000 0.423 130 Q N 4.736 124.541 119.800 0.008 0.000 2.295 130 Q HA 0.257 4.600 4.340 0.006 0.000 0.259 130 Q C -1.651 174.245 176.000 -0.173 0.000 0.976 130 Q CA -0.453 55.281 55.803 -0.115 0.000 0.923 130 Q CB 1.312 29.892 28.738 -0.265 0.000 1.185 130 Q HN 0.727 nan 8.270 nan 0.000 0.410 131 L N 5.687 126.808 121.223 -0.170 0.000 2.307 131 L HA 0.421 4.765 4.340 0.006 0.000 0.284 131 L C -1.686 175.065 176.870 -0.199 0.000 1.023 131 L CA -0.462 54.324 54.840 -0.091 0.000 0.810 131 L CB 1.089 43.152 42.059 0.006 0.000 1.231 131 L HN 0.492 nan 8.230 nan 0.000 0.423 132 Y N 4.923 125.249 120.300 0.043 0.000 2.342 132 Y HA 0.455 5.008 4.550 0.005 0.000 0.334 132 Y C 0.246 176.235 175.900 0.147 0.000 1.067 132 Y CA -0.595 57.505 58.100 -0.000 0.000 1.128 132 Y CB 1.371 39.761 38.460 -0.116 0.000 1.200 132 Y HN 0.395 nan 8.280 nan 0.000 0.464 133 I N 5.202 125.905 120.570 0.221 0.000 2.406 133 I HA 0.004 4.177 4.170 0.006 0.000 0.293 133 I C -0.520 175.641 176.117 0.074 0.000 1.101 133 I CA -0.110 61.297 61.300 0.179 0.000 1.334 133 I CB -0.332 37.719 38.000 0.085 0.000 1.421 133 I HN 0.511 nan 8.210 nan 0.000 0.513 134 Y N 6.177 126.534 120.300 0.095 0.000 2.336 134 Y HA 0.040 4.593 4.550 0.006 0.000 0.331 134 Y C 1.609 177.481 175.900 -0.048 0.000 1.211 134 Y CA -0.109 58.010 58.100 0.031 0.000 1.346 134 Y CB 0.773 39.281 38.460 0.079 0.000 1.271 134 Y HN 0.455 nan 8.280 nan 0.000 0.538 135 K N 0.369 120.774 120.400 0.009 0.000 2.089 135 K HA -0.218 4.106 4.320 0.006 0.000 0.210 135 K C 0.307 176.906 176.600 -0.003 0.000 1.048 135 K CA 1.631 57.896 56.287 -0.037 0.000 0.926 135 K CB -0.087 32.379 32.500 -0.058 0.000 0.714 135 K HN 0.540 nan 8.250 nan 0.000 0.448 136 D N 0.747 121.192 120.400 0.076 0.000 2.359 136 D HA -0.007 4.636 4.640 0.006 0.000 0.250 136 D C 0.628 176.977 176.300 0.082 0.000 1.264 136 D CA 0.067 54.106 54.000 0.066 0.000 0.911 136 D CB 0.591 41.441 40.800 0.082 0.000 1.056 136 D HN -0.060 nan 8.370 nan 0.000 0.499 137 R N 2.797 123.299 120.500 0.003 0.000 2.189 137 R HA -0.053 4.291 4.340 0.006 0.000 0.218 137 R C 1.333 177.723 176.300 0.151 0.000 1.074 137 R CA 0.507 56.603 56.100 -0.007 0.000 0.991 137 R CB 0.077 30.230 30.300 -0.245 0.000 0.883 137 R HN 0.554 nan 8.270 nan 0.000 0.457 138 E N 0.404 120.671 120.200 0.113 0.000 2.072 138 E HA -0.069 4.285 4.350 0.006 0.000 0.190 138 E C 2.176 178.846 176.600 0.118 0.000 0.982 138 E CA 0.653 57.127 56.400 0.123 0.000 0.803 138 E CB -0.316 29.434 29.700 0.083 0.000 0.755 138 E HN 0.018 nan 8.360 nan 0.000 0.453 139 V N 1.735 121.711 119.914 0.103 0.000 2.252 139 V HA -0.285 3.838 4.120 0.006 0.000 0.249 139 V C 2.396 178.557 176.094 0.111 0.000 1.056 139 V CA 2.354 64.704 62.300 0.083 0.000 1.022 139 V CB -0.963 30.875 31.823 0.024 0.000 0.641 139 V HN 0.303 nan 8.190 nan 0.000 0.445 140 T N -0.424 114.248 114.554 0.197 0.000 2.674 140 T HA -0.278 4.075 4.350 0.006 0.000 0.265 140 T C 1.934 176.792 174.700 0.263 0.000 1.039 140 T CA 1.980 64.256 62.100 0.294 0.000 1.150 140 T CB -0.273 68.840 68.868 0.408 0.000 0.864 140 T HN 0.493 nan 8.240 nan 0.000 0.427 141 K N 1.263 121.844 120.400 0.302 0.000 2.044 141 K HA -0.188 4.135 4.320 0.006 0.000 0.210 141 K C 2.357 179.009 176.600 0.086 0.000 1.049 141 K CA 1.652 58.056 56.287 0.195 0.000 0.927 141 K CB -0.140 32.499 32.500 0.232 0.000 0.713 141 K HN 0.219 nan 8.250 nan 0.000 0.443 142 K N 0.672 121.117 120.400 0.075 0.000 2.032 142 K HA -0.151 4.172 4.320 0.006 0.000 0.209 142 K C 2.142 178.732 176.600 -0.017 0.000 1.048 142 K CA 1.565 57.865 56.287 0.022 0.000 0.927 142 K CB -0.140 32.368 32.500 0.013 0.000 0.712 142 K HN 0.177 nan 8.250 nan 0.000 0.441 143 L N 0.457 121.670 121.223 -0.016 0.000 2.012 143 L HA -0.229 4.115 4.340 0.006 0.000 0.210 143 L C 2.423 179.254 176.870 -0.066 0.000 1.073 143 L CA 1.167 55.970 54.840 -0.062 0.000 0.748 143 L CB -0.560 41.489 42.059 -0.017 0.000 0.891 143 L HN 0.061 nan 8.230 nan 0.000 0.431 144 V N -0.496 119.406 119.914 -0.021 0.000 2.295 144 V HA -0.247 3.877 4.120 0.006 0.000 0.246 144 V C 2.726 178.794 176.094 -0.044 0.000 1.049 144 V CA 1.583 63.860 62.300 -0.038 0.000 1.024 144 V CB -0.645 31.151 31.823 -0.045 0.000 0.648 144 V HN 0.405 nan 8.190 nan 0.000 0.447 145 R N -0.327 120.153 120.500 -0.032 0.000 2.096 145 R HA -0.126 4.218 4.340 0.006 0.000 0.235 145 R C 2.305 178.590 176.300 -0.025 0.000 1.127 145 R CA 1.161 57.247 56.100 -0.024 0.000 0.968 145 R CB -0.632 29.662 30.300 -0.012 0.000 0.861 145 R HN 0.512 nan 8.270 nan 0.000 0.440 146 Q N 0.171 119.942 119.800 -0.048 0.000 2.084 146 Q HA -0.026 4.317 4.340 0.006 0.000 0.202 146 Q C 2.074 178.030 176.000 -0.073 0.000 0.978 146 Q CA 1.656 57.423 55.803 -0.061 0.000 0.844 146 Q CB -0.281 28.399 28.738 -0.096 0.000 0.898 146 Q HN 0.287 nan 8.270 nan 0.000 0.426 147 A N 1.085 123.814 122.820 -0.151 0.000 1.892 147 A HA -0.248 4.075 4.320 0.006 0.000 0.218 147 A C 1.985 179.620 177.584 0.086 0.000 1.188 147 A CA 1.901 53.827 52.037 -0.185 0.000 0.631 147 A CB -0.541 18.330 19.000 -0.215 0.000 0.822 147 A HN 0.454 nan 8.150 nan 0.000 0.447 148 E N -0.648 119.578 120.200 0.043 0.000 2.051 148 E HA -0.201 4.152 4.350 0.006 0.000 0.192 148 E C 2.139 178.780 176.600 0.068 0.000 0.991 148 E CA 1.406 57.842 56.400 0.061 0.000 0.799 148 E CB -0.152 29.562 29.700 0.023 0.000 0.748 148 E HN 0.662 nan 8.360 nan 0.000 0.449 149 K N 0.272 120.701 120.400 0.049 0.000 2.097 149 K HA -0.104 4.220 4.320 0.006 0.000 0.206 149 K C 1.450 178.092 176.600 0.071 0.000 1.049 149 K CA 1.085 57.399 56.287 0.045 0.000 0.933 149 K CB 0.172 32.687 32.500 0.026 0.000 0.717 149 K HN 0.058 nan 8.250 nan 0.000 0.442 150 M N 0.074 119.753 119.600 0.132 0.000 2.530 150 M HA 0.145 4.628 4.480 0.006 0.000 0.231 150 M C 0.630 177.032 176.300 0.171 0.000 1.180 150 M CA 0.634 56.043 55.300 0.182 0.000 0.985 150 M CB 0.253 33.020 32.600 0.279 0.000 1.623 150 M HN 0.440 nan 8.290 nan 0.000 0.475 151 G N 0.762 109.639 108.800 0.128 0.000 2.160 151 G HA2 -0.281 3.682 3.960 0.006 0.000 0.244 151 G HA3 -0.281 3.682 3.960 0.006 0.000 0.244 151 G C -0.355 174.519 174.900 -0.044 0.000 1.022 151 G CA -0.200 44.912 45.100 0.019 0.000 0.741 151 G HN 0.505 nan 8.290 nan 0.000 0.508 152 Y N -0.259 120.031 120.300 -0.017 0.000 2.309 152 Y HA 0.442 4.995 4.550 0.005 0.000 0.327 152 Y C 1.601 177.529 175.900 0.048 0.000 1.172 152 Y CA -0.319 57.778 58.100 -0.004 0.000 1.280 152 Y CB 0.925 39.404 38.460 0.030 0.000 1.234 152 Y HN -0.073 nan 8.280 nan 0.000 0.512 153 K N 1.696 122.217 120.400 0.201 0.000 2.353 153 K HA 0.460 4.783 4.320 0.006 0.000 0.195 153 K C -0.209 176.604 176.600 0.354 0.000 1.031 153 K CA 0.232 56.660 56.287 0.234 0.000 1.079 153 K CB 0.595 33.199 32.500 0.174 0.000 0.857 153 K HN 0.629 nan 8.250 nan 0.000 0.535 154 A N 0.705 123.801 122.820 0.460 0.000 2.586 154 A HA 0.584 4.907 4.320 0.006 0.000 0.291 154 A C -1.611 176.117 177.584 0.242 0.000 1.062 154 A CA -0.738 51.463 52.037 0.273 0.000 0.666 154 A CB 1.007 20.089 19.000 0.137 0.000 1.281 154 A HN -0.018 nan 8.150 nan 0.000 0.421 155 I N 1.016 121.603 120.570 0.029 0.000 2.362 155 I HA 0.367 4.540 4.170 0.006 0.000 0.289 155 I C -1.147 174.876 176.117 -0.156 0.000 0.994 155 I CA -0.422 60.889 61.300 0.018 0.000 1.158 155 I CB 0.618 38.602 38.000 -0.026 0.000 1.315 155 I HN 0.542 nan 8.210 nan 0.000 0.451 156 F N 5.742 125.606 119.950 -0.145 0.000 2.334 156 F HA 0.247 4.777 4.527 0.006 0.000 0.365 156 F C 0.575 176.240 175.800 -0.226 0.000 1.124 156 F CA -0.585 57.274 58.000 -0.235 0.000 1.166 156 F CB 1.332 40.119 39.000 -0.354 0.000 1.355 156 F HN 0.167 nan 8.300 nan 0.000 0.532 157 V N 4.782 124.635 119.914 -0.102 0.000 2.427 157 V HA 0.187 4.310 4.120 0.006 0.000 0.268 157 V C 0.213 176.219 176.094 -0.148 0.000 1.046 157 V CA -0.053 62.180 62.300 -0.112 0.000 0.970 157 V CB 0.761 32.539 31.823 -0.075 0.000 1.001 157 V HN 0.685 nan 8.190 nan 0.000 0.476 158 T N 6.785 121.200 114.554 -0.232 0.000 2.779 158 T HA 0.219 4.572 4.350 0.006 0.000 0.296 158 T C 0.771 175.408 174.700 -0.105 0.000 0.938 158 T CA 0.315 62.278 62.100 -0.227 0.000 1.119 158 T CB 1.118 69.709 68.868 -0.461 0.000 0.891 158 T HN 0.916 nan 8.240 nan 0.000 0.526 159 V N 0.199 120.064 119.914 -0.082 0.000 3.380 159 V HA 0.264 4.387 4.120 0.006 0.000 0.307 159 V C 0.848 176.908 176.094 -0.056 0.000 1.434 159 V CA -0.150 62.086 62.300 -0.106 0.000 1.075 159 V CB 0.022 31.727 31.823 -0.197 0.000 0.954 159 V HN 0.767 nan 8.190 nan 0.000 0.444 160 D N -0.662 119.756 120.400 0.030 0.000 2.402 160 D HA 0.144 4.788 4.640 0.006 0.000 0.216 160 D C 0.613 176.958 176.300 0.075 0.000 1.128 160 D CA 0.210 54.245 54.000 0.060 0.000 0.833 160 D CB 0.161 41.022 40.800 0.102 0.000 0.971 160 D HN 0.393 nan 8.370 nan 0.000 0.503 161 T N 1.815 116.420 114.554 0.084 0.000 3.630 161 T HA 0.219 4.572 4.350 0.006 0.000 0.238 161 T C -1.890 172.793 174.700 -0.028 0.000 1.195 161 T CA -0.862 61.281 62.100 0.070 0.000 1.433 161 T CB 1.533 70.536 68.868 0.225 0.000 0.940 161 T HN 0.026 nan 8.240 nan 0.000 0.641 162 P HA -0.022 nan 4.420 nan 0.000 0.218 162 P C -0.264 176.702 177.300 -0.557 0.000 1.149 162 P CA 0.968 63.898 63.100 -0.283 0.000 0.817 162 P CB 0.233 31.796 31.700 -0.227 0.000 0.785 163 Y N -2.129 118.143 120.300 -0.047 0.000 2.609 163 Y HA 0.442 4.995 4.550 0.005 0.000 0.342 163 Y C 0.249 176.118 175.900 -0.051 0.000 1.058 163 Y CA -1.556 56.512 58.100 -0.055 0.000 1.055 163 Y CB 0.835 39.267 38.460 -0.046 0.000 1.292 163 Y HN -0.328 nan 8.280 nan 0.000 0.476 164 L N 1.849 123.142 121.223 0.118 0.000 2.426 164 L HA 0.494 4.837 4.340 0.006 0.000 0.271 164 L C 0.769 177.658 176.870 0.031 0.000 1.169 164 L CA 0.340 55.207 54.840 0.044 0.000 0.836 164 L CB 0.342 42.416 42.059 0.024 0.000 1.112 164 L HN 0.801 nan 8.230 nan 0.000 0.465 165 G N 2.878 111.665 108.800 -0.022 0.000 2.630 165 G HA2 -0.087 3.876 3.960 0.006 0.000 0.236 165 G HA3 -0.087 3.876 3.960 0.006 0.000 0.236 165 G C -0.037 174.860 174.900 -0.006 0.000 1.248 165 G CA -0.412 44.675 45.100 -0.023 0.000 0.844 165 G HN 0.858 nan 8.290 nan 0.000 0.588 166 N N 0.632 119.329 118.700 -0.004 0.000 2.482 166 N HA 0.173 4.916 4.740 0.006 0.000 0.242 166 N C -0.394 175.119 175.510 0.005 0.000 1.100 166 N CA -0.525 52.527 53.050 0.004 0.000 0.946 166 N CB 0.189 38.675 38.487 -0.001 0.000 1.227 166 N HN 0.229 nan 8.380 nan 0.000 0.508 167 R N 3.373 123.880 120.500 0.011 0.000 2.204 167 R HA 0.173 4.516 4.340 0.006 0.000 0.341 167 R C 0.964 177.277 176.300 0.022 0.000 1.035 167 R CA -0.655 55.449 56.100 0.006 0.000 0.887 167 R CB 0.835 31.128 30.300 -0.011 0.000 1.114 167 R HN 0.496 nan 8.270 nan 0.000 0.473 168 L N 1.706 122.941 121.223 0.020 0.000 2.012 168 L HA -0.208 4.135 4.340 0.006 0.000 0.210 168 L C 1.341 178.235 176.870 0.040 0.000 1.073 168 L CA 1.794 56.651 54.840 0.029 0.000 0.748 168 L CB -0.464 41.610 42.059 0.025 0.000 0.891 168 L HN 0.643 nan 8.230 nan 0.000 0.431 169 D N -0.274 120.149 120.400 0.038 0.000 2.104 169 D HA -0.189 4.454 4.640 0.006 0.000 0.194 169 D C 1.759 178.105 176.300 0.078 0.000 0.994 169 D CA 1.286 55.317 54.000 0.053 0.000 0.830 169 D CB -0.057 40.769 40.800 0.043 0.000 0.959 169 D HN 0.321 nan 8.370 nan 0.000 0.452 170 D N -0.013 120.434 120.400 0.078 0.000 2.123 170 D HA -0.115 4.528 4.640 0.006 0.000 0.196 170 D C 2.304 178.693 176.300 0.148 0.000 0.992 170 D CA 0.429 54.514 54.000 0.142 0.000 0.833 170 D CB -0.353 40.523 40.800 0.127 0.000 0.954 170 D HN 0.095 nan 8.370 nan 0.000 0.455 171 V N 1.024 120.998 119.914 0.099 0.000 2.261 171 V HA -0.250 3.874 4.120 0.006 0.000 0.246 171 V C 2.483 178.622 176.094 0.075 0.000 1.047 171 V CA 1.687 64.036 62.300 0.081 0.000 1.015 171 V CB -0.403 31.454 31.823 0.056 0.000 0.642 171 V HN 0.149 nan 8.190 nan 0.000 0.446 172 R N 0.591 121.132 120.500 0.069 0.000 2.083 172 R HA -0.134 4.209 4.340 0.006 0.000 0.237 172 R C 1.964 178.305 176.300 0.070 0.000 1.137 172 R CA 1.696 57.833 56.100 0.061 0.000 0.951 172 R CB -0.482 29.851 30.300 0.056 0.000 0.851 172 R HN 0.533 nan 8.270 nan 0.000 0.434 173 N N 0.985 119.741 118.700 0.093 0.000 2.521 173 N HA -0.027 4.716 4.740 0.006 0.000 0.188 173 N C -0.294 175.274 175.510 0.096 0.000 1.146 173 N CA 0.251 53.362 53.050 0.102 0.000 0.893 173 N CB 0.029 38.601 38.487 0.141 0.000 0.975 173 N HN 0.132 nan 8.380 nan 0.000 0.451 174 R N 0.349 120.907 120.500 0.098 0.000 3.188 174 R HA -0.204 4.139 4.340 0.006 0.000 0.247 174 R C -0.494 175.851 176.300 0.074 0.000 0.918 174 R CA 0.048 56.197 56.100 0.081 0.000 0.629 174 R CB -2.430 27.893 30.300 0.039 0.000 1.087 174 R HN 0.256 nan 8.270 nan 0.000 0.462 175 F N 2.427 122.384 119.950 0.012 0.000 2.629 175 F HA 0.027 4.557 4.527 0.006 0.000 0.377 175 F C 0.819 176.592 175.800 -0.045 0.000 1.101 175 F CA 0.904 58.893 58.000 -0.019 0.000 1.301 175 F CB 0.448 39.445 39.000 -0.005 0.000 1.062 175 F HN 0.226 nan 8.300 nan 0.000 0.583 176 K N 5.189 124.815 120.400 -1.290 0.000 2.579 176 K HA 0.479 4.802 4.320 0.006 0.000 0.284 176 K C -1.908 173.937 176.600 -1.258 0.000 0.990 176 K CA -1.316 54.236 56.287 -1.225 0.000 0.880 176 K CB 0.935 33.038 32.500 -0.661 0.000 1.488 176 K HN 0.474 nan 8.250 nan 0.000 0.425 177 L N 2.080 122.650 121.223 -1.088 0.000 2.485 177 L HA 0.221 4.564 4.340 0.006 0.000 0.275 177 L C -2.170 174.456 176.870 -0.406 0.000 1.207 177 L CA -1.355 53.112 54.840 -0.621 0.000 0.855 177 L CB -0.560 41.163 42.059 -0.560 0.000 1.114 177 L HN 0.580 nan 8.230 nan 0.000 0.485 178 P HA 0.053 nan 4.420 nan 0.000 0.268 178 P C -1.936 175.281 177.300 -0.139 0.000 1.208 178 P CA -0.817 62.196 63.100 -0.145 0.000 0.777 178 P CB -0.096 31.565 31.700 -0.065 0.000 0.875 179 P HA -0.214 nan 4.420 nan 0.000 0.216 179 P C 1.126 178.384 177.300 -0.070 0.000 1.150 179 P CA 1.681 64.724 63.100 -0.094 0.000 0.837 179 P CB -0.171 31.488 31.700 -0.069 0.000 0.786 180 Q N -0.310 119.460 119.800 -0.050 0.000 2.444 180 Q HA 0.065 4.409 4.340 0.006 0.000 0.206 180 Q C 0.397 176.385 176.000 -0.021 0.000 0.948 180 Q CA 0.402 56.187 55.803 -0.029 0.000 0.946 180 Q CB -0.450 28.277 28.738 -0.018 0.000 1.027 180 Q HN 0.311 nan 8.270 nan 0.000 0.513 181 L N 1.302 122.502 121.223 -0.037 0.000 2.333 181 L HA 0.640 4.984 4.340 0.006 0.000 0.269 181 L C 0.009 176.863 176.870 -0.027 0.000 1.010 181 L CA -1.037 53.793 54.840 -0.017 0.000 0.818 181 L CB 1.752 43.806 42.059 -0.008 0.000 1.306 181 L HN -0.100 nan 8.230 nan 0.000 0.430 182 R N 1.784 122.297 120.500 0.022 0.000 2.799 182 R HA 0.517 4.860 4.340 0.006 0.000 0.270 182 R C -1.052 175.319 176.300 0.119 0.000 1.010 182 R CA -0.953 55.179 56.100 0.053 0.000 0.916 182 R CB 1.915 32.259 30.300 0.073 0.000 1.228 182 R HN 0.604 nan 8.270 nan 0.000 0.469 183 M N 2.965 122.674 119.600 0.181 0.000 2.341 183 M HA 0.127 4.611 4.480 0.006 0.000 0.336 183 M C 0.951 177.427 176.300 0.292 0.000 1.489 183 M CA 0.132 55.606 55.300 0.290 0.000 1.278 183 M CB 0.431 33.267 32.600 0.394 0.000 1.657 183 M HN 0.073 nan 8.290 nan 0.000 0.455 184 K N 1.447 121.945 120.400 0.163 0.000 2.525 184 K HA 0.039 4.363 4.320 0.006 0.000 0.192 184 K C 0.673 177.248 176.600 -0.043 0.000 1.029 184 K CA 0.428 56.760 56.287 0.075 0.000 1.029 184 K CB -0.018 32.516 32.500 0.055 0.000 0.814 184 K HN 0.595 nan 8.250 nan 0.000 0.503 185 N N 0.248 118.819 118.700 -0.216 0.000 2.467 185 N HA 0.017 4.760 4.740 0.006 0.000 0.184 185 N C -0.151 174.888 175.510 -0.785 0.000 1.106 185 N CA 0.432 53.122 53.050 -0.601 0.000 0.892 185 N CB 0.196 38.170 38.487 -0.855 0.000 0.969 185 N HN 0.069 nan 8.380 nan 0.000 0.454 186 F N -0.189 119.798 119.950 0.061 0.000 2.579 186 F HA 0.377 4.907 4.527 0.005 0.000 0.324 186 F C 1.119 176.951 175.800 0.054 0.000 1.058 186 F CA -0.897 57.132 58.000 0.049 0.000 0.944 186 F CB 1.541 40.592 39.000 0.085 0.000 1.245 186 F HN -0.221 nan 8.300 nan 0.000 0.477 187 E N 0.030 120.374 120.200 0.240 0.000 2.693 187 E HA 0.140 4.493 4.350 0.006 0.000 0.214 187 E C -0.464 176.213 176.600 0.128 0.000 0.990 187 E CA -0.035 56.448 56.400 0.139 0.000 1.047 187 E CB 0.958 30.711 29.700 0.089 0.000 1.039 187 E HN 0.672 nan 8.360 nan 0.000 0.475 188 T N -3.706 110.944 114.554 0.160 0.000 2.906 188 T HA 0.298 4.651 4.350 0.006 0.000 0.295 188 T C 0.992 175.778 174.700 0.143 0.000 1.075 188 T CA -0.631 61.541 62.100 0.120 0.000 1.005 188 T CB 1.906 70.830 68.868 0.093 0.000 1.136 188 T HN -0.246 nan 8.240 nan 0.000 0.498 189 S N 0.958 116.722 115.700 0.107 0.000 2.374 189 S HA -0.125 4.348 4.470 0.006 0.000 0.227 189 S C 2.073 176.794 174.600 0.202 0.000 1.037 189 S CA 2.202 60.472 58.200 0.117 0.000 1.024 189 S CB -0.796 62.437 63.200 0.054 0.000 0.861 189 S HN 0.887 nan 8.310 nan 0.000 0.456 190 T N 2.642 117.303 114.554 0.178 0.000 2.668 190 T HA 0.034 4.387 4.350 0.006 0.000 0.262 190 T C 1.796 176.770 174.700 0.455 0.000 1.045 190 T CA 1.080 63.361 62.100 0.302 0.000 1.152 190 T CB -0.471 68.462 68.868 0.108 0.000 0.864 190 T HN 0.248 nan 8.240 nan 0.000 0.419 191 L N 1.697 123.067 121.223 0.246 0.000 2.131 191 L HA -0.054 4.289 4.340 0.006 0.000 0.210 191 L C 2.620 179.621 176.870 0.219 0.000 1.092 191 L CA 1.215 56.135 54.840 0.132 0.000 0.759 191 L CB -0.615 41.400 42.059 -0.073 0.000 0.903 191 L HN 0.363 nan 8.230 nan 0.000 0.435 192 S N -0.978 114.916 115.700 0.323 0.000 2.603 192 S HA -0.108 4.365 4.470 0.006 0.000 0.220 192 S C 0.993 175.741 174.600 0.248 0.000 0.967 192 S CA -0.458 57.944 58.200 0.336 0.000 0.920 192 S CB -0.792 62.573 63.200 0.275 0.000 0.773 192 S HN 0.446 nan 8.310 nan 0.000 0.529 193 F N 1.645 121.616 119.950 0.035 0.000 3.074 193 F HA -0.255 4.275 4.527 0.005 0.000 0.287 193 F C 0.275 176.022 175.800 -0.088 0.000 0.932 193 F CA 0.298 58.131 58.000 -0.279 0.000 0.995 193 F CB -1.753 36.731 39.000 -0.859 0.000 0.966 193 F HN 0.401 nan 8.300 nan 0.000 0.721 194 S N 2.305 118.081 115.700 0.126 0.000 2.544 194 S HA 0.126 4.599 4.470 0.006 0.000 0.290 194 S C -0.551 173.994 174.600 -0.091 0.000 1.276 194 S CA -0.500 57.698 58.200 -0.004 0.000 1.075 194 S CB 0.969 64.207 63.200 0.062 0.000 0.849 194 S HN 0.322 nan 8.310 nan 0.000 0.494 195 P HA -0.002 nan 4.420 nan 0.000 0.234 195 P C 0.410 177.634 177.300 -0.127 0.000 1.167 195 P CA 0.612 63.535 63.100 -0.294 0.000 0.763 195 P CB 0.155 31.656 31.700 -0.331 0.000 0.835 196 E N -0.432 119.724 120.200 -0.074 0.000 2.489 196 E HA 0.060 4.414 4.350 0.006 0.000 0.193 196 E C 0.537 177.109 176.600 -0.047 0.000 1.057 196 E CA 0.397 56.765 56.400 -0.053 0.000 0.866 196 E CB 0.100 29.773 29.700 -0.045 0.000 0.916 196 E HN 0.359 nan 8.360 nan 0.000 0.500 197 E N 1.268 121.455 120.200 -0.022 0.000 2.283 197 E HA 0.133 4.487 4.350 0.006 0.000 0.271 197 E C 0.060 176.513 176.600 -0.245 0.000 1.031 197 E CA -0.611 55.698 56.400 -0.152 0.000 0.868 197 E CB 0.766 30.334 29.700 -0.220 0.000 1.094 197 E HN -0.093 nan 8.360 nan 0.000 0.401 198 N N 2.114 120.601 118.700 -0.354 0.000 2.406 198 N HA -0.001 4.742 4.740 0.006 0.000 0.265 198 N C -0.928 174.304 175.510 -0.463 0.000 1.203 198 N CA 0.210 53.090 53.050 -0.283 0.000 0.945 198 N CB -0.169 38.196 38.487 -0.203 0.000 1.165 198 N HN 0.253 nan 8.380 nan 0.000 0.485 199 F N 1.861 121.815 119.950 0.008 0.000 2.881 199 F HA 0.338 4.869 4.527 0.006 0.000 0.343 199 F C 1.366 177.185 175.800 0.032 0.000 1.233 199 F CA -0.010 58.019 58.000 0.048 0.000 1.262 199 F CB 0.218 39.291 39.000 0.121 0.000 0.980 199 F HN 0.583 nan 8.300 nan 0.000 0.506 200 G N 1.010 109.875 108.800 0.109 0.000 2.698 200 G HA2 -0.341 3.622 3.960 0.006 0.000 0.233 200 G HA3 -0.341 3.622 3.960 0.006 0.000 0.233 200 G C 0.058 174.999 174.900 0.068 0.000 1.352 200 G CA 0.193 45.337 45.100 0.073 0.000 0.879 200 G HN 0.344 nan 8.290 nan 0.000 0.567 201 D N -0.415 120.016 120.400 0.051 0.000 2.398 201 D HA 0.280 4.924 4.640 0.006 0.000 0.210 201 D C 0.763 177.092 176.300 0.047 0.000 1.094 201 D CA 0.797 54.820 54.000 0.040 0.000 0.839 201 D CB 0.191 41.006 40.800 0.024 0.000 0.963 201 D HN 0.353 nan 8.370 nan 0.000 0.506 202 D N -1.016 119.422 120.400 0.063 0.000 2.625 202 D HA 0.090 4.733 4.640 0.006 0.000 0.213 202 D C -0.256 176.100 176.300 0.093 0.000 1.271 202 D CA -0.356 53.684 54.000 0.067 0.000 1.161 202 D CB -0.387 40.446 40.800 0.055 0.000 1.173 202 D HN -0.127 nan 8.370 nan 0.000 0.549 203 S N -0.290 115.472 115.700 0.104 0.000 2.488 203 S HA 0.311 4.785 4.470 0.006 0.000 0.278 203 S C 1.313 176.005 174.600 0.154 0.000 1.259 203 S CA -0.049 58.241 58.200 0.150 0.000 1.061 203 S CB 0.678 63.966 63.200 0.147 0.000 0.910 203 S HN 0.413 nan 8.310 nan 0.000 0.491 204 G N 4.688 113.591 108.800 0.172 0.000 2.440 204 G HA2 -0.183 3.781 3.960 0.006 0.000 0.218 204 G HA3 -0.183 3.781 3.960 0.006 0.000 0.218 204 G C 1.208 176.166 174.900 0.097 0.000 1.154 204 G CA 0.918 46.130 45.100 0.186 0.000 0.767 204 G HN 0.678 nan 8.290 nan 0.000 0.552 205 L N 1.274 122.532 121.223 0.058 0.000 2.046 205 L HA 0.175 4.518 4.340 0.006 0.000 0.208 205 L C 3.108 179.852 176.870 -0.210 0.000 1.077 205 L CA 1.983 56.608 54.840 -0.358 0.000 0.747 205 L CB -0.727 41.216 42.059 -0.193 0.000 0.896 205 L HN 0.245 nan 8.230 nan 0.000 0.432 206 A N -0.573 122.229 122.820 -0.030 0.000 1.883 206 A HA -0.157 4.167 4.320 0.006 0.000 0.217 206 A C 2.458 180.050 177.584 0.012 0.000 1.186 206 A CA 1.912 53.947 52.037 -0.002 0.000 0.624 206 A CB -1.185 17.838 19.000 0.038 0.000 0.822 206 A HN 0.539 nan 8.150 nan 0.000 0.444 207 A N -1.504 121.358 122.820 0.070 0.000 1.908 207 A HA -0.141 4.182 4.320 0.006 0.000 0.218 207 A C 2.144 179.828 177.584 0.166 0.000 1.181 207 A CA 1.723 53.852 52.037 0.153 0.000 0.627 207 A CB -0.851 18.318 19.000 0.281 0.000 0.818 207 A HN 0.789 nan 8.150 nan 0.000 0.445 208 Y N 0.575 120.801 120.300 -0.123 0.000 2.145 208 Y HA -0.203 4.350 4.550 0.006 0.000 0.286 208 Y C 2.327 178.046 175.900 -0.302 0.000 1.145 208 Y CA 2.123 60.043 58.100 -0.300 0.000 1.148 208 Y CB -0.363 37.485 38.460 -1.021 0.000 0.981 208 Y HN 0.065 nan 8.280 nan 0.000 0.507 209 V N 0.759 120.487 119.914 -0.309 0.000 2.287 209 V HA -0.377 3.747 4.120 0.006 0.000 0.248 209 V C 2.716 178.660 176.094 -0.250 0.000 1.053 209 V CA 1.978 64.084 62.300 -0.325 0.000 1.027 209 V CB -1.662 30.058 31.823 -0.171 0.000 0.646 209 V HN 0.608 nan 8.190 nan 0.000 0.447 210 A N -0.440 122.321 122.820 -0.100 0.000 1.940 210 A HA -0.261 4.063 4.320 0.006 0.000 0.219 210 A C 2.289 179.822 177.584 -0.085 0.000 1.176 210 A CA 2.114 54.141 52.037 -0.018 0.000 0.631 210 A CB -0.407 18.633 19.000 0.067 0.000 0.814 210 A HN 0.592 nan 8.150 nan 0.000 0.446 211 K N -1.025 119.301 120.400 -0.124 0.000 2.116 211 K HA 0.141 4.464 4.320 0.006 0.000 0.203 211 K C 2.042 178.515 176.600 -0.211 0.000 1.052 211 K CA 1.017 57.228 56.287 -0.127 0.000 0.952 211 K CB -0.097 32.367 32.500 -0.061 0.000 0.729 211 K HN 0.432 nan 8.250 nan 0.000 0.446 212 A N 0.439 123.026 122.820 -0.390 0.000 2.055 212 A HA 0.174 4.498 4.320 0.006 0.000 0.205 212 A C 0.627 177.953 177.584 -0.431 0.000 1.235 212 A CA 0.001 51.790 52.037 -0.413 0.000 0.822 212 A CB 0.445 19.005 19.000 -0.733 0.000 0.903 212 A HN -0.013 nan 8.150 nan 0.000 0.473 213 I N 1.313 121.591 120.570 -0.487 0.000 2.428 213 I HA 0.261 4.435 4.170 0.006 0.000 0.296 213 I C -0.865 175.055 176.117 -0.328 0.000 0.985 213 I CA -0.879 60.140 61.300 -0.468 0.000 1.260 213 I CB 1.098 38.844 38.000 -0.423 0.000 1.389 213 I HN 0.085 nan 8.210 nan 0.000 0.484 214 D N 8.356 128.596 120.400 -0.267 0.000 2.365 214 D HA 0.224 4.867 4.640 0.006 0.000 0.237 214 D C -1.564 174.568 176.300 -0.281 0.000 1.190 214 D CA -1.885 51.978 54.000 -0.228 0.000 0.867 214 D CB 1.526 42.227 40.800 -0.165 0.000 1.050 214 D HN 0.238 nan 8.370 nan 0.000 0.491 215 P HA -0.077 nan 4.420 nan 0.000 0.233 215 P C 0.937 178.091 177.300 -0.243 0.000 1.167 215 P CA 0.426 63.233 63.100 -0.488 0.000 0.770 215 P CB 0.175 31.400 31.700 -0.791 0.000 0.837 216 S N -0.706 114.891 115.700 -0.171 0.000 2.603 216 S HA -0.003 4.471 4.470 0.006 0.000 0.220 216 S C 1.004 175.536 174.600 -0.114 0.000 0.967 216 S CA -0.521 57.613 58.200 -0.110 0.000 0.920 216 S CB -1.250 61.898 63.200 -0.087 0.000 0.773 216 S HN 0.131 nan 8.310 nan 0.000 0.529 217 I N 3.642 124.126 120.570 -0.144 0.000 3.015 217 I HA -0.061 4.112 4.170 0.006 0.000 0.309 217 I C 0.324 176.340 176.117 -0.169 0.000 1.229 217 I CA 0.541 61.751 61.300 -0.150 0.000 1.430 217 I CB 0.134 38.039 38.000 -0.157 0.000 1.347 217 I HN 0.603 nan 8.210 nan 0.000 0.544 218 S N 5.547 121.154 115.700 -0.155 0.000 2.810 218 S HA 0.376 4.850 4.470 0.006 0.000 0.315 218 S C 0.238 174.706 174.600 -0.219 0.000 1.138 218 S CA -0.866 57.233 58.200 -0.169 0.000 0.889 218 S CB 0.677 63.862 63.200 -0.024 0.000 1.236 218 S HN 0.745 nan 8.310 nan 0.000 0.548 219 W N 0.940 122.216 121.300 -0.041 0.000 2.392 219 W HA 0.039 4.702 4.660 0.006 0.000 0.279 219 W C 2.241 178.790 176.519 0.050 0.000 1.225 219 W CA 0.808 58.086 57.345 -0.111 0.000 1.233 219 W CB -0.133 29.251 29.460 -0.127 0.000 1.122 219 W HN 0.681 nan 8.180 nan 0.000 0.561 220 E N 0.326 120.686 120.200 0.266 0.000 2.118 220 E HA -0.190 4.163 4.350 0.006 0.000 0.195 220 E C 1.536 178.261 176.600 0.208 0.000 0.992 220 E CA 1.464 57.999 56.400 0.225 0.000 0.804 220 E CB -0.706 29.078 29.700 0.140 0.000 0.741 220 E HN 0.399 nan 8.360 nan 0.000 0.458 221 D N 0.413 120.889 120.400 0.125 0.000 2.178 221 D HA -0.105 4.539 4.640 0.006 0.000 0.202 221 D C 1.954 178.412 176.300 0.263 0.000 0.974 221 D CA 0.423 54.516 54.000 0.155 0.000 0.841 221 D CB 0.031 40.838 40.800 0.011 0.000 0.953 221 D HN 0.128 nan 8.370 nan 0.000 0.478 222 I N 1.675 122.334 120.570 0.149 0.000 2.179 222 I HA -0.223 3.951 4.170 0.006 0.000 0.242 222 I C 2.266 178.543 176.117 0.268 0.000 1.088 222 I CA 1.088 62.485 61.300 0.161 0.000 1.357 222 I CB -0.834 37.215 38.000 0.082 0.000 1.051 222 I HN -0.008 nan 8.210 nan 0.000 0.409 223 K N -0.449 120.167 120.400 0.359 0.000 2.044 223 K HA -0.270 4.054 4.320 0.006 0.000 0.210 223 K C 2.092 178.838 176.600 0.244 0.000 1.049 223 K CA 2.210 58.684 56.287 0.312 0.000 0.927 223 K CB -0.504 32.172 32.500 0.294 0.000 0.713 223 K HN 0.396 nan 8.250 nan 0.000 0.443 224 W N 1.778 123.131 121.300 0.088 0.000 2.333 224 W HA -0.258 4.405 4.660 0.005 0.000 0.316 224 W C 1.849 178.398 176.519 0.049 0.000 1.215 224 W CA 1.189 58.569 57.345 0.058 0.000 1.278 224 W CB -0.543 28.945 29.460 0.046 0.000 1.154 224 W HN 0.032 nan 8.180 nan 0.000 0.486 225 L N 1.838 123.087 121.223 0.043 0.000 2.042 225 L HA -0.166 4.177 4.340 0.006 0.000 0.210 225 L C 2.627 179.376 176.870 -0.202 0.000 1.076 225 L CA 2.600 57.293 54.840 -0.244 0.000 0.749 225 L CB -1.258 40.819 42.059 0.030 0.000 0.893 225 L HN 0.090 nan 8.230 nan 0.000 0.432 226 R N -0.413 120.058 120.500 -0.049 0.000 2.152 226 R HA -0.084 4.259 4.340 0.006 0.000 0.232 226 R C 2.271 178.529 176.300 -0.070 0.000 1.117 226 R CA 1.434 57.517 56.100 -0.029 0.000 0.981 226 R CB -0.234 30.099 30.300 0.055 0.000 0.870 226 R HN 0.378 nan 8.270 nan 0.000 0.451 227 R N -0.432 120.007 120.500 -0.101 0.000 2.161 227 R HA 0.060 4.404 4.340 0.006 0.000 0.213 227 R C 2.047 178.233 176.300 -0.191 0.000 1.055 227 R CA 0.713 56.746 56.100 -0.112 0.000 0.996 227 R CB -0.277 29.984 30.300 -0.066 0.000 0.901 227 R HN 0.239 nan 8.270 nan 0.000 0.456 228 L N 0.443 121.457 121.223 -0.347 0.000 2.056 228 L HA -0.026 4.317 4.340 0.006 0.000 0.207 228 L C 0.664 177.389 176.870 -0.240 0.000 1.078 228 L CA 1.300 55.892 54.840 -0.413 0.000 0.749 228 L CB 0.102 41.691 42.059 -0.783 0.000 0.901 228 L HN 0.104 nan 8.230 nan 0.000 0.433 229 T N -2.247 112.191 114.554 -0.193 0.000 2.893 229 T HA 0.217 4.570 4.350 0.006 0.000 0.293 229 T C 0.780 175.434 174.700 -0.077 0.000 1.027 229 T CA -0.035 61.996 62.100 -0.116 0.000 0.988 229 T CB 1.708 70.514 68.868 -0.104 0.000 1.043 229 T HN 0.249 nan 8.240 nan 0.000 0.461 230 S N 3.940 119.611 115.700 -0.048 0.000 2.593 230 S HA 0.280 4.753 4.470 0.006 0.000 0.217 230 S C 0.814 175.405 174.600 -0.014 0.000 0.966 230 S CA -0.376 57.807 58.200 -0.029 0.000 0.914 230 S CB -0.587 62.602 63.200 -0.019 0.000 0.776 230 S HN 0.648 nan 8.310 nan 0.000 0.523 231 L N 2.120 123.337 121.223 -0.011 0.000 2.483 231 L HA 0.251 4.594 4.340 0.006 0.000 0.276 231 L C -2.210 174.656 176.870 -0.006 0.000 1.213 231 L CA -1.823 53.024 54.840 0.011 0.000 0.843 231 L CB -0.188 41.889 42.059 0.029 0.000 1.107 231 L HN 0.050 nan 8.230 nan 0.000 0.487 232 P HA 0.081 nan 4.420 nan 0.000 0.265 232 P C -0.829 176.411 177.300 -0.099 0.000 1.187 232 P CA 0.465 63.543 63.100 -0.035 0.000 0.766 232 P CB 0.415 32.104 31.700 -0.018 0.000 0.820 233 I N 2.343 122.838 120.570 -0.125 0.000 2.436 233 I HA 0.299 4.472 4.170 0.006 0.000 0.289 233 I C -0.524 175.445 176.117 -0.246 0.000 1.010 233 I CA -0.996 60.197 61.300 -0.179 0.000 1.098 233 I CB 2.071 40.014 38.000 -0.096 0.000 1.266 233 I HN -0.051 nan 8.210 nan 0.000 0.434 234 V N 5.187 124.834 119.914 -0.445 0.000 2.417 234 V HA 0.506 4.629 4.120 0.006 0.000 0.291 234 V C 0.445 176.379 176.094 -0.267 0.000 1.024 234 V CA -0.744 61.291 62.300 -0.441 0.000 0.861 234 V CB 1.680 32.928 31.823 -0.959 0.000 0.985 234 V HN 0.831 nan 8.190 nan 0.000 0.436 235 A N 4.788 127.540 122.820 -0.113 0.000 2.395 235 A HA 0.406 4.730 4.320 0.006 0.000 0.286 235 A C 0.191 177.751 177.584 -0.041 0.000 1.193 235 A CA -0.061 51.940 52.037 -0.060 0.000 0.852 235 A CB -0.123 18.886 19.000 0.014 0.000 1.118 235 A HN 0.811 nan 8.150 nan 0.000 0.524 236 K N 2.681 123.045 120.400 -0.060 0.000 2.265 236 K HA 0.518 4.841 4.320 0.006 0.000 0.267 236 K C 0.673 177.237 176.600 -0.060 0.000 0.994 236 K CA 0.315 56.570 56.287 -0.052 0.000 0.860 236 K CB 0.496 32.949 32.500 -0.079 0.000 1.099 236 K HN 1.353 nan 8.250 nan 0.000 0.448 237 G N 4.264 113.048 108.800 -0.027 0.000 2.175 237 G HA2 -0.129 3.834 3.960 0.006 0.000 0.182 237 G HA3 -0.129 3.834 3.960 0.006 0.000 0.182 237 G C -0.014 174.899 174.900 0.021 0.000 1.003 237 G CA -0.461 44.641 45.100 0.004 0.000 0.666 237 G HN 0.523 nan 8.290 nan 0.000 0.506 238 I N 1.147 121.732 120.570 0.025 0.000 2.618 238 I HA 0.257 4.431 4.170 0.006 0.000 0.284 238 I C 1.452 177.597 176.117 0.046 0.000 1.146 238 I CA 0.443 61.771 61.300 0.047 0.000 1.425 238 I CB 1.071 39.111 38.000 0.067 0.000 1.383 238 I HN 0.078 nan 8.210 nan 0.000 0.562 239 L N 5.823 127.077 121.223 0.051 0.000 3.086 239 L HA 0.259 4.602 4.340 0.006 0.000 0.274 239 L C 0.538 177.435 176.870 0.045 0.000 1.184 239 L CA 0.024 54.891 54.840 0.045 0.000 1.002 239 L CB 0.282 42.367 42.059 0.043 0.000 1.383 239 L HN 0.537 nan 8.230 nan 0.000 0.582 240 R N -0.914 119.619 120.500 0.054 0.000 2.670 240 R HA 0.426 4.769 4.340 0.006 0.000 0.289 240 R C 0.993 177.321 176.300 0.046 0.000 0.965 240 R CA -0.134 55.996 56.100 0.050 0.000 0.899 240 R CB 1.696 32.032 30.300 0.060 0.000 1.173 240 R HN -0.047 nan 8.270 nan 0.000 0.456 241 G N 1.509 110.328 108.800 0.031 0.000 2.442 241 G HA2 -0.317 3.646 3.960 0.006 0.000 0.219 241 G HA3 -0.317 3.646 3.960 0.006 0.000 0.219 241 G C 0.893 175.803 174.900 0.016 0.000 1.141 241 G CA 1.268 46.380 45.100 0.019 0.000 0.763 241 G HN 0.787 nan 8.290 nan 0.000 0.554 242 D N 1.136 121.548 120.400 0.021 0.000 2.117 242 D HA -0.094 4.549 4.640 0.006 0.000 0.197 242 D C 1.545 177.852 176.300 0.012 0.000 0.987 242 D CA 1.307 55.311 54.000 0.007 0.000 0.829 242 D CB -0.632 40.173 40.800 0.009 0.000 0.961 242 D HN 0.187 nan 8.370 nan 0.000 0.460 243 D N 0.671 121.119 120.400 0.080 0.000 2.144 243 D HA -0.034 4.609 4.640 0.006 0.000 0.199 243 D C 2.202 178.587 176.300 0.141 0.000 0.984 243 D CA 1.797 55.908 54.000 0.184 0.000 0.834 243 D CB -0.564 40.399 40.800 0.272 0.000 0.955 243 D HN 0.332 nan 8.370 nan 0.000 0.465 244 A N 1.148 124.019 122.820 0.086 0.000 1.873 244 A HA -0.250 4.073 4.320 0.006 0.000 0.218 244 A C 2.179 179.767 177.584 0.006 0.000 1.193 244 A CA 1.670 53.738 52.037 0.053 0.000 0.629 244 A CB -0.565 18.450 19.000 0.025 0.000 0.826 244 A HN 0.147 nan 8.150 nan 0.000 0.447 245 R N -1.060 119.424 120.500 -0.027 0.000 2.105 245 R HA -0.164 4.179 4.340 0.006 0.000 0.239 245 R C 2.252 178.483 176.300 -0.115 0.000 1.135 245 R CA 1.522 57.586 56.100 -0.060 0.000 0.967 245 R CB -0.253 30.011 30.300 -0.059 0.000 0.861 245 R HN 0.613 nan 8.270 nan 0.000 0.442 246 E N 0.788 120.863 120.200 -0.209 0.000 2.077 246 E HA -0.127 4.227 4.350 0.006 0.000 0.193 246 E C 1.810 178.173 176.600 -0.395 0.000 0.989 246 E CA 1.537 57.652 56.400 -0.475 0.000 0.800 246 E CB -0.156 28.958 29.700 -0.976 0.000 0.746 246 E HN 0.326 nan 8.360 nan 0.000 0.452 247 A N -0.037 122.692 122.820 -0.152 0.000 1.883 247 A HA -0.165 4.158 4.320 0.006 0.000 0.217 247 A C 2.505 180.146 177.584 0.094 0.000 1.186 247 A CA 1.743 53.866 52.037 0.142 0.000 0.624 247 A CB -0.863 18.270 19.000 0.221 0.000 0.822 247 A HN 0.191 nan 8.150 nan 0.000 0.444 248 V N 0.365 120.294 119.914 0.024 0.000 2.287 248 V HA -0.294 3.829 4.120 0.006 0.000 0.248 248 V C 2.454 178.545 176.094 -0.005 0.000 1.053 248 V CA 2.331 64.633 62.300 0.004 0.000 1.027 248 V CB -0.699 31.111 31.823 -0.022 0.000 0.646 248 V HN 0.526 nan 8.190 nan 0.000 0.447 249 K N -0.867 119.512 120.400 -0.035 0.000 2.152 249 K HA -0.183 4.140 4.320 0.006 0.000 0.206 249 K C 1.888 178.428 176.600 -0.101 0.000 1.048 249 K CA 1.332 57.570 56.287 -0.082 0.000 0.933 249 K CB -0.301 32.118 32.500 -0.135 0.000 0.721 249 K HN 0.614 nan 8.250 nan 0.000 0.447 250 H N -0.674 118.353 119.070 -0.070 0.000 2.547 250 H HA 0.023 4.583 4.556 0.006 0.000 0.266 250 H C 1.032 176.372 175.328 0.020 0.000 0.988 250 H CA 0.736 56.786 56.048 0.004 0.000 1.147 250 H CB 0.496 30.318 29.762 0.101 0.000 1.365 250 H HN 0.491 nan 8.280 nan 0.000 0.589 251 G N 1.001 109.844 108.800 0.071 0.000 2.136 251 G HA2 -0.259 3.704 3.960 0.006 0.000 0.242 251 G HA3 -0.259 3.704 3.960 0.006 0.000 0.242 251 G C 0.008 174.933 174.900 0.042 0.000 0.989 251 G CA -0.104 45.017 45.100 0.036 0.000 0.682 251 G HN 0.096 nan 8.290 nan 0.000 0.522 252 L N 0.636 121.900 121.223 0.068 0.000 2.464 252 L HA 0.362 4.706 4.340 0.006 0.000 0.264 252 L C 1.420 178.290 176.870 -0.000 0.000 1.199 252 L CA 0.215 55.076 54.840 0.035 0.000 0.818 252 L CB 0.514 42.611 42.059 0.063 0.000 1.102 252 L HN 0.219 nan 8.230 nan 0.000 0.473 253 N N 0.639 119.321 118.700 -0.030 0.000 2.205 253 N HA 0.264 5.007 4.740 0.006 0.000 0.201 253 N C 0.298 175.788 175.510 -0.032 0.000 1.128 253 N CA 0.378 53.410 53.050 -0.031 0.000 0.867 253 N CB 1.418 39.885 38.487 -0.033 0.000 0.996 253 N HN 0.702 nan 8.380 nan 0.000 0.503 254 G N 0.533 109.309 108.800 -0.040 0.000 2.489 254 G HA2 0.414 4.378 3.960 0.006 0.000 0.291 254 G HA3 0.414 4.378 3.960 0.006 0.000 0.291 254 G C -1.931 172.960 174.900 -0.015 0.000 1.487 254 G CA -0.516 44.569 45.100 -0.024 0.000 0.795 254 G HN -0.075 nan 8.290 nan 0.000 0.513 255 I N 1.102 121.665 120.570 -0.012 0.000 2.466 255 I HA 0.379 4.553 4.170 0.006 0.000 0.289 255 I C -0.833 175.369 176.117 0.142 0.000 1.026 255 I CA -0.954 60.366 61.300 0.034 0.000 1.078 255 I CB 1.508 39.508 38.000 -0.000 0.000 1.249 255 I HN 0.417 nan 8.210 nan 0.000 0.429 256 L N 8.275 129.600 121.223 0.169 0.000 2.270 256 L HA 0.370 4.713 4.340 0.006 0.000 0.286 256 L C -0.156 176.766 176.870 0.087 0.000 1.059 256 L CA -0.365 54.593 54.840 0.197 0.000 0.839 256 L CB 0.843 42.966 42.059 0.107 0.000 1.221 256 L HN 0.310 nan 8.230 nan 0.000 0.431 257 V N 4.684 124.651 119.914 0.088 0.000 2.441 257 V HA 0.266 4.389 4.120 0.006 0.000 0.279 257 V C 0.689 176.816 176.094 0.054 0.000 0.990 257 V CA 0.461 62.795 62.300 0.056 0.000 1.116 257 V CB -0.285 31.563 31.823 0.041 0.000 0.977 257 V HN 0.900 nan 8.190 nan 0.000 0.470 258 S N 3.689 119.411 115.700 0.036 0.000 2.533 258 S HA 0.499 4.972 4.470 0.006 0.000 0.271 258 S C -0.072 174.555 174.600 0.044 0.000 1.143 258 S CA -0.732 57.484 58.200 0.026 0.000 0.891 258 S CB 1.450 64.634 63.200 -0.027 0.000 1.105 258 S HN 0.880 nan 8.310 nan 0.000 0.468 259 N N 1.955 120.691 118.700 0.062 0.000 2.328 259 N HA 0.211 4.954 4.740 0.006 0.000 0.247 259 N C -0.071 175.531 175.510 0.153 0.000 1.165 259 N CA -0.175 52.928 53.050 0.088 0.000 0.873 259 N CB -0.556 37.973 38.487 0.070 0.000 1.125 259 N HN 0.886 nan 8.380 nan 0.000 0.513 260 H N 0.195 119.266 119.070 0.001 0.000 2.839 260 H HA -0.133 4.426 4.556 0.005 0.000 0.298 260 H C 1.047 176.372 175.328 -0.005 0.000 1.224 260 H CA 0.598 56.642 56.048 -0.006 0.000 1.144 260 H CB -1.340 28.431 29.762 0.015 0.000 1.372 260 H HN 0.659 nan 8.280 nan 0.000 0.408 261 G N -0.344 108.514 108.800 0.097 0.000 2.305 261 G HA2 -0.010 3.954 3.960 0.006 0.000 0.287 261 G HA3 -0.010 3.954 3.960 0.006 0.000 0.287 261 G C 0.873 175.819 174.900 0.077 0.000 1.036 261 G CA 1.122 46.264 45.100 0.070 0.000 0.887 261 G HN 1.997 nan 8.290 nan 0.000 0.505 262 A N -2.258 120.613 122.820 0.086 0.000 2.905 262 A HA -0.242 4.081 4.320 0.006 0.000 0.260 262 A C 1.496 179.105 177.584 0.041 0.000 1.398 262 A CA 2.275 54.350 52.037 0.062 0.000 0.840 262 A CB -1.651 17.384 19.000 0.057 0.000 1.059 262 A HN 1.169 nan 8.150 nan 0.000 0.647 263 R N -1.398 119.128 120.500 0.043 0.000 2.397 263 R HA 0.177 4.521 4.340 0.006 0.000 0.241 263 R C 1.690 177.946 176.300 -0.074 0.000 0.914 263 R CA 0.465 56.557 56.100 -0.014 0.000 1.071 263 R CB 0.137 30.436 30.300 -0.002 0.000 1.116 263 R HN 0.628 nan 8.270 nan 0.000 0.524 264 Q N -0.005 119.761 119.800 -0.057 0.000 2.471 264 Q HA 0.193 4.537 4.340 0.006 0.000 0.207 264 Q C -0.169 175.820 176.000 -0.017 0.000 0.889 264 Q CA -0.120 55.638 55.803 -0.076 0.000 0.726 264 Q CB -0.432 28.253 28.738 -0.089 0.000 2.132 264 Q HN 0.046 nan 8.270 nan 0.000 0.531 265 L N 2.881 124.108 121.223 0.006 0.000 2.278 265 L HA 0.234 4.577 4.340 0.006 0.000 0.287 265 L C -0.700 176.181 176.870 0.019 0.000 1.072 265 L CA -0.001 54.848 54.840 0.014 0.000 0.819 265 L CB 0.497 42.569 42.059 0.022 0.000 1.176 265 L HN 0.163 nan 8.230 nan 0.000 0.435 266 D N 3.406 123.815 120.400 0.015 0.000 2.302 266 D HA 0.531 5.174 4.640 0.006 0.000 0.248 266 D C 0.976 177.288 176.300 0.020 0.000 1.094 266 D CA 1.076 55.087 54.000 0.019 0.000 0.897 266 D CB 1.156 41.965 40.800 0.016 0.000 1.200 266 D HN 0.830 nan 8.370 nan 0.000 0.429 267 G N 1.720 110.534 108.800 0.023 0.000 2.176 267 G HA2 -0.196 3.767 3.960 0.006 0.000 0.232 267 G HA3 -0.196 3.767 3.960 0.006 0.000 0.232 267 G C 0.431 175.345 174.900 0.024 0.000 0.986 267 G CA 0.125 45.238 45.100 0.022 0.000 0.643 267 G HN 1.015 nan 8.290 nan 0.000 0.522 268 V N -1.315 118.616 119.914 0.028 0.000 3.051 268 V HA 0.719 4.842 4.120 0.006 0.000 0.306 268 V C -1.174 174.939 176.094 0.032 0.000 1.083 268 V CA -1.517 60.801 62.300 0.031 0.000 1.104 268 V CB 0.698 32.543 31.823 0.036 0.000 1.027 268 V HN 0.119 nan 8.190 nan 0.000 0.483 269 P HA 0.401 nan 4.420 nan 0.000 0.274 269 P C -0.362 176.956 177.300 0.031 0.000 1.256 269 P CA -0.200 62.918 63.100 0.030 0.000 0.795 269 P CB 0.307 32.026 31.700 0.032 0.000 1.038 270 A N 0.626 123.462 122.820 0.027 0.000 2.483 270 A HA 0.216 4.539 4.320 0.006 0.000 0.238 270 A C 1.590 179.171 177.584 -0.005 0.000 1.070 270 A CA 0.551 52.596 52.037 0.014 0.000 0.770 270 A CB -0.801 18.196 19.000 -0.004 0.000 1.008 270 A HN 0.695 nan 8.150 nan 0.000 0.497 271 T N 1.001 115.549 114.554 -0.010 0.000 2.788 271 T HA -0.199 4.154 4.350 0.006 0.000 0.268 271 T C 1.630 176.281 174.700 -0.081 0.000 1.044 271 T CA 1.564 63.657 62.100 -0.013 0.000 1.139 271 T CB -0.432 68.454 68.868 0.031 0.000 0.867 271 T HN 0.504 nan 8.240 nan 0.000 0.454 272 I N 2.438 122.868 120.570 -0.233 0.000 2.361 272 I HA -0.124 4.049 4.170 0.006 0.000 0.251 272 I C 1.549 177.594 176.117 -0.120 0.000 1.133 272 I CA 1.274 62.349 61.300 -0.374 0.000 1.413 272 I CB -0.480 36.939 38.000 -0.969 0.000 1.073 272 I HN 0.091 nan 8.210 nan 0.000 0.424 273 D N -0.369 120.059 120.400 0.046 0.000 2.183 273 D HA -0.081 4.563 4.640 0.006 0.000 0.203 273 D C 2.233 178.602 176.300 0.115 0.000 0.969 273 D CA 1.752 55.866 54.000 0.190 0.000 0.842 273 D CB -0.095 40.785 40.800 0.133 0.000 0.957 273 D HN 0.430 nan 8.370 nan 0.000 0.484 274 V N -1.110 118.831 119.914 0.045 0.000 3.354 274 V HA 0.044 4.167 4.120 0.006 0.000 0.258 274 V C 2.219 178.321 176.094 0.012 0.000 1.159 274 V CA 0.104 62.425 62.300 0.035 0.000 1.125 274 V CB -0.506 31.335 31.823 0.030 0.000 0.774 274 V HN -0.019 nan 8.190 nan 0.000 0.464 275 L N 1.897 123.107 121.223 -0.022 0.000 2.010 275 L HA -0.067 4.276 4.340 0.006 0.000 0.219 275 L C 0.028 176.870 176.870 -0.047 0.000 1.077 275 L CA 2.897 57.707 54.840 -0.051 0.000 0.773 275 L CB -1.863 40.131 42.059 -0.107 0.000 0.892 275 L HN 0.280 nan 8.230 nan 0.000 0.436 276 P HA -0.211 nan 4.420 nan 0.000 0.215 276 P C 1.486 178.786 177.300 0.001 0.000 1.153 276 P CA 1.834 64.922 63.100 -0.021 0.000 0.853 276 P CB -0.072 31.648 31.700 0.034 0.000 0.788 277 E N -0.334 119.877 120.200 0.018 0.000 2.085 277 E HA -0.185 4.168 4.350 0.006 0.000 0.194 277 E C 1.778 178.379 176.600 0.002 0.000 0.994 277 E CA 1.298 57.708 56.400 0.016 0.000 0.801 277 E CB -0.456 29.259 29.700 0.025 0.000 0.743 277 E HN -0.017 nan 8.360 nan 0.000 0.453 278 I N 0.944 121.512 120.570 -0.003 0.000 2.163 278 I HA -0.193 3.980 4.170 0.006 0.000 0.240 278 I C 2.568 178.668 176.117 -0.028 0.000 1.081 278 I CA 0.697 61.991 61.300 -0.011 0.000 1.353 278 I CB -1.326 36.669 38.000 -0.008 0.000 1.054 278 I HN 0.123 nan 8.210 nan 0.000 0.407 279 V N 1.254 121.143 119.914 -0.041 0.000 2.282 279 V HA -0.329 3.794 4.120 0.006 0.000 0.249 279 V C 2.648 178.718 176.094 -0.040 0.000 1.057 279 V CA 2.331 64.599 62.300 -0.054 0.000 1.032 279 V CB -0.793 30.993 31.823 -0.062 0.000 0.645 279 V HN 0.503 nan 8.190 nan 0.000 0.447 280 E N 0.279 120.464 120.200 -0.026 0.000 2.051 280 E HA -0.232 4.122 4.350 0.006 0.000 0.192 280 E C 2.220 178.808 176.600 -0.019 0.000 0.991 280 E CA 1.426 57.815 56.400 -0.018 0.000 0.799 280 E CB -0.327 29.368 29.700 -0.007 0.000 0.748 280 E HN 0.549 nan 8.360 nan 0.000 0.449 281 A N 0.561 123.370 122.820 -0.017 0.000 1.940 281 A HA -0.156 4.168 4.320 0.006 0.000 0.219 281 A C 2.377 179.946 177.584 -0.025 0.000 1.176 281 A CA 1.592 53.618 52.037 -0.017 0.000 0.631 281 A CB -0.601 18.393 19.000 -0.011 0.000 0.814 281 A HN 0.273 nan 8.150 nan 0.000 0.446 282 V N -0.249 119.646 119.914 -0.032 0.000 2.871 282 V HA -0.104 4.020 4.120 0.006 0.000 0.256 282 V C 0.606 176.676 176.094 -0.040 0.000 1.082 282 V CA 1.184 63.460 62.300 -0.039 0.000 1.105 282 V CB -1.063 30.729 31.823 -0.052 0.000 0.713 282 V HN 0.761 nan 8.190 nan 0.000 0.473 283 E N -0.496 119.682 120.200 -0.036 0.000 2.440 283 E HA -0.300 4.053 4.350 0.006 0.000 0.246 283 E C 1.168 177.746 176.600 -0.036 0.000 1.165 283 E CA 0.299 56.679 56.400 -0.033 0.000 0.726 283 E CB -1.741 27.942 29.700 -0.028 0.000 1.271 283 E HN 0.816 nan 8.360 nan 0.000 0.397 284 G N -0.073 108.700 108.800 -0.045 0.000 2.168 284 G HA2 -0.418 3.545 3.960 0.006 0.000 0.263 284 G HA3 -0.418 3.545 3.960 0.006 0.000 0.263 284 G C 0.764 175.635 174.900 -0.047 0.000 0.977 284 G CA 0.987 46.058 45.100 -0.048 0.000 0.659 284 G HN 0.407 nan 8.290 nan 0.000 0.533 285 K N -1.169 119.203 120.400 -0.047 0.000 2.305 285 K HA 0.445 4.768 4.320 0.006 0.000 0.199 285 K C 0.647 177.219 176.600 -0.046 0.000 1.047 285 K CA 0.902 57.164 56.287 -0.041 0.000 0.976 285 K CB 0.658 33.137 32.500 -0.036 0.000 0.765 285 K HN 0.295 nan 8.250 nan 0.000 0.474 286 V N 1.072 120.947 119.914 -0.066 0.000 3.048 286 V HA 0.083 4.206 4.120 0.006 0.000 0.303 286 V C -1.225 174.782 176.094 -0.146 0.000 1.214 286 V CA -1.047 61.204 62.300 -0.082 0.000 0.984 286 V CB 2.305 34.090 31.823 -0.064 0.000 1.054 286 V HN 0.072 nan 8.190 nan 0.000 0.430 287 E N 1.697 121.776 120.200 -0.202 0.000 2.392 287 E HA 0.359 4.713 4.350 0.006 0.000 0.264 287 E C -1.061 175.160 176.600 -0.631 0.000 1.024 287 E CA -0.058 56.092 56.400 -0.417 0.000 0.903 287 E CB 1.418 30.834 29.700 -0.474 0.000 0.963 287 E HN 0.384 nan 8.360 nan 0.000 0.432 288 V N 4.550 124.069 119.914 -0.658 0.000 2.448 288 V HA 0.387 4.510 4.120 0.006 0.000 0.295 288 V C -0.635 175.093 176.094 -0.610 0.000 1.025 288 V CA -0.606 61.389 62.300 -0.509 0.000 0.859 288 V CB 0.570 32.256 31.823 -0.228 0.000 0.988 288 V HN 0.485 nan 8.190 nan 0.000 0.431 289 F N 4.134 124.122 119.950 0.063 0.000 2.594 289 F HA 0.803 5.333 4.527 0.005 0.000 0.335 289 F C -0.126 175.739 175.800 0.108 0.000 1.058 289 F CA -0.969 57.109 58.000 0.131 0.000 0.981 289 F CB 1.818 41.012 39.000 0.324 0.000 1.289 289 F HN 0.357 nan 8.300 nan 0.000 0.490 290 L N 1.359 122.790 121.223 0.345 0.000 2.409 290 L HA 0.658 5.001 4.340 0.006 0.000 0.262 290 L C -1.856 175.164 176.870 0.250 0.000 0.992 290 L CA -0.432 54.540 54.840 0.220 0.000 0.817 290 L CB 2.075 44.219 42.059 0.141 0.000 1.350 290 L HN 0.829 nan 8.230 nan 0.000 0.411 291 D N 1.982 122.485 120.400 0.172 0.000 2.610 291 D HA 0.784 5.428 4.640 0.006 0.000 0.271 291 D C -0.461 175.917 176.300 0.130 0.000 1.174 291 D CA -0.101 53.987 54.000 0.147 0.000 0.949 291 D CB 1.912 42.772 40.800 0.100 0.000 1.430 291 D HN 0.953 nan 8.370 nan 0.000 0.467 292 G N -1.478 107.396 108.800 0.125 0.000 3.017 292 G HA2 0.477 4.440 3.960 0.006 0.000 0.680 292 G HA3 0.477 4.440 3.960 0.006 0.000 0.680 292 G C 0.719 175.768 174.900 0.248 0.000 1.179 292 G CA 0.345 45.529 45.100 0.141 0.000 1.142 292 G HN 1.837 nan 8.290 nan 0.000 0.489 293 G N -0.924 107.990 108.800 0.191 0.000 2.157 293 G HA2 -0.000 3.963 3.960 0.006 0.000 0.248 293 G HA3 -0.000 3.963 3.960 0.006 0.000 0.248 293 G C 0.637 175.581 174.900 0.073 0.000 0.979 293 G CA 0.450 45.684 45.100 0.224 0.000 0.650 293 G HN 1.907 nan 8.290 nan 0.000 0.529 294 V N 1.573 121.475 119.914 -0.020 0.000 2.446 294 V HA 0.375 4.498 4.120 0.006 0.000 0.276 294 V C 1.377 177.375 176.094 -0.161 0.000 1.030 294 V CA 0.420 62.574 62.300 -0.244 0.000 1.033 294 V CB 1.080 32.805 31.823 -0.163 0.000 0.993 294 V HN 0.387 nan 8.190 nan 0.000 0.477 295 R N 3.118 123.498 120.500 -0.201 0.000 2.568 295 R HA 0.351 4.694 4.340 0.006 0.000 0.254 295 R C 0.138 176.388 176.300 -0.083 0.000 0.925 295 R CA 0.047 56.095 56.100 -0.086 0.000 1.025 295 R CB 0.777 31.061 30.300 -0.027 0.000 1.428 295 R HN 0.524 nan 8.270 nan 0.000 0.573 296 K N -1.060 119.259 120.400 -0.135 0.000 2.477 296 K HA 0.418 4.741 4.320 0.006 0.000 0.255 296 K C 0.693 177.251 176.600 -0.070 0.000 0.952 296 K CA -0.255 55.986 56.287 -0.078 0.000 0.826 296 K CB 2.145 34.610 32.500 -0.059 0.000 1.331 296 K HN -0.050 nan 8.250 nan 0.000 0.437 297 G N 0.167 108.973 108.800 0.011 0.000 2.469 297 G HA2 -0.303 3.660 3.960 0.006 0.000 0.220 297 G HA3 -0.303 3.660 3.960 0.006 0.000 0.220 297 G C 1.291 176.275 174.900 0.141 0.000 1.136 297 G CA 2.031 47.203 45.100 0.119 0.000 0.759 297 G HN 0.729 nan 8.290 nan 0.000 0.562 298 T N -1.160 113.431 114.554 0.062 0.000 2.951 298 T HA -0.041 4.312 4.350 0.006 0.000 0.268 298 T C 1.741 176.464 174.700 0.038 0.000 1.073 298 T CA 1.444 63.590 62.100 0.078 0.000 1.134 298 T CB -0.143 68.763 68.868 0.065 0.000 0.884 298 T HN 0.176 nan 8.240 nan 0.000 0.479 299 D N 1.601 121.922 120.400 -0.133 0.000 2.097 299 D HA -0.062 4.581 4.640 0.006 0.000 0.195 299 D C 2.357 178.550 176.300 -0.178 0.000 0.989 299 D CA 0.907 54.648 54.000 -0.431 0.000 0.827 299 D CB -0.556 39.626 40.800 -1.031 0.000 0.966 299 D HN 0.332 nan 8.370 nan 0.000 0.456 300 V N 1.250 121.069 119.914 -0.158 0.000 2.287 300 V HA -0.227 3.896 4.120 0.006 0.000 0.248 300 V C 2.552 178.635 176.094 -0.020 0.000 1.053 300 V CA 1.144 63.324 62.300 -0.200 0.000 1.027 300 V CB -0.590 30.924 31.823 -0.516 0.000 0.646 300 V HN 0.110 nan 8.190 nan 0.000 0.447 301 L N 0.180 121.535 121.223 0.219 0.000 2.012 301 L HA -0.211 4.132 4.340 0.006 0.000 0.210 301 L C 2.433 179.397 176.870 0.158 0.000 1.073 301 L CA 2.048 57.076 54.840 0.314 0.000 0.748 301 L CB -0.676 41.541 42.059 0.262 0.000 0.891 301 L HN 0.238 nan 8.230 nan 0.000 0.431 302 K N -0.782 119.701 120.400 0.138 0.000 2.057 302 K HA -0.106 4.217 4.320 0.006 0.000 0.207 302 K C 2.106 178.698 176.600 -0.014 0.000 1.049 302 K CA 1.373 57.710 56.287 0.083 0.000 0.931 302 K CB -0.453 32.158 32.500 0.185 0.000 0.714 302 K HN 0.476 nan 8.250 nan 0.000 0.440 303 A N 0.991 123.854 122.820 0.071 0.000 1.902 303 A HA -0.150 4.174 4.320 0.006 0.000 0.217 303 A C 2.047 179.611 177.584 -0.033 0.000 1.181 303 A CA 1.336 53.379 52.037 0.009 0.000 0.623 303 A CB -0.491 18.563 19.000 0.090 0.000 0.818 303 A HN 0.099 nan 8.150 nan 0.000 0.443 304 L N -0.380 120.842 121.223 -0.000 0.000 2.056 304 L HA -0.093 4.250 4.340 0.006 0.000 0.207 304 L C 2.980 179.849 176.870 -0.002 0.000 1.078 304 L CA 1.805 56.650 54.840 0.009 0.000 0.749 304 L CB -0.874 41.223 42.059 0.063 0.000 0.901 304 L HN 0.388 nan 8.230 nan 0.000 0.433 305 A N -0.928 121.894 122.820 0.004 0.000 1.978 305 A HA -0.161 4.163 4.320 0.006 0.000 0.220 305 A C 2.162 179.705 177.584 -0.069 0.000 1.170 305 A CA 1.532 53.563 52.037 -0.011 0.000 0.636 305 A CB -0.734 18.271 19.000 0.010 0.000 0.810 305 A HN 0.405 nan 8.150 nan 0.000 0.448 306 L N -1.686 119.453 121.223 -0.139 0.000 2.591 306 L HA 0.225 4.569 4.340 0.006 0.000 0.228 306 L C 1.555 178.349 176.870 -0.127 0.000 1.133 306 L CA 0.557 55.279 54.840 -0.197 0.000 0.880 306 L CB 0.073 41.901 42.059 -0.384 0.000 1.033 306 L HN 0.607 nan 8.230 nan 0.000 0.450 307 G N -0.538 108.209 108.800 -0.088 0.000 2.192 307 G HA2 -0.179 3.785 3.960 0.006 0.000 0.193 307 G HA3 -0.179 3.785 3.960 0.006 0.000 0.193 307 G C 0.332 175.181 174.900 -0.085 0.000 0.999 307 G CA -0.195 44.860 45.100 -0.075 0.000 0.659 307 G HN 0.388 nan 8.290 nan 0.000 0.503 308 A N 0.067 122.841 122.820 -0.077 0.000 2.425 308 A HA 0.704 5.027 4.320 0.006 0.000 0.249 308 A C 1.274 178.822 177.584 -0.060 0.000 1.084 308 A CA 1.247 53.240 52.037 -0.073 0.000 0.781 308 A CB 0.743 19.732 19.000 -0.018 0.000 1.019 308 A HN 0.440 nan 8.150 nan 0.000 0.490 309 K N 0.976 121.316 120.400 -0.100 0.000 2.116 309 K HA 0.295 4.619 4.320 0.006 0.000 0.203 309 K C 0.396 177.046 176.600 0.084 0.000 1.052 309 K CA 1.654 57.925 56.287 -0.026 0.000 0.952 309 K CB -0.001 32.437 32.500 -0.103 0.000 0.729 309 K HN 1.084 nan 8.250 nan 0.000 0.446 310 A N -0.743 122.188 122.820 0.186 0.000 2.601 310 A HA 0.526 4.849 4.320 0.006 0.000 0.291 310 A C -1.363 176.246 177.584 0.041 0.000 1.075 310 A CA -0.423 51.646 52.037 0.053 0.000 0.671 310 A CB 1.026 20.015 19.000 -0.018 0.000 1.277 310 A HN 0.175 nan 8.150 nan 0.000 0.417 311 V N -1.619 118.189 119.914 -0.177 0.000 2.881 311 V HA 0.954 5.078 4.120 0.006 0.000 0.316 311 V C -0.800 175.063 176.094 -0.384 0.000 1.070 311 V CA -0.971 61.260 62.300 -0.114 0.000 0.976 311 V CB 1.385 33.161 31.823 -0.078 0.000 1.038 311 V HN 0.742 nan 8.190 nan 0.000 0.446 312 F N 1.713 121.608 119.950 -0.091 0.000 2.480 312 F HA 0.759 5.289 4.527 0.005 0.000 0.329 312 F C 0.194 175.923 175.800 -0.117 0.000 1.091 312 F CA -0.941 56.977 58.000 -0.138 0.000 0.972 312 F CB 2.270 41.142 39.000 -0.213 0.000 1.150 312 F HN 0.637 nan 8.300 nan 0.000 0.467 313 V N 0.221 120.148 119.914 0.022 0.000 2.459 313 V HA 0.853 4.976 4.120 0.006 0.000 0.295 313 V C 0.088 176.145 176.094 -0.062 0.000 1.029 313 V CA -0.213 62.065 62.300 -0.038 0.000 0.874 313 V CB 0.792 32.561 31.823 -0.090 0.000 0.985 313 V HN 0.895 nan 8.190 nan 0.000 0.438 314 G N 3.617 112.361 108.800 -0.093 0.000 2.600 314 G HA2 0.091 4.054 3.960 0.006 0.000 0.225 314 G HA3 0.091 4.054 3.960 0.006 0.000 0.225 314 G C 1.160 175.899 174.900 -0.269 0.000 1.623 314 G CA -0.074 44.934 45.100 -0.153 0.000 0.903 314 G HN 0.648 nan 8.290 nan 0.000 0.574 315 R N 1.050 121.357 120.500 -0.322 0.000 2.103 315 R HA -0.089 4.254 4.340 0.006 0.000 0.242 315 R C -0.056 175.748 176.300 -0.827 0.000 1.142 315 R CA 1.837 57.548 56.100 -0.648 0.000 0.960 315 R CB -1.103 28.932 30.300 -0.441 0.000 0.858 315 R HN 0.301 nan 8.270 nan 0.000 0.439 316 P HA -0.189 nan 4.420 nan 0.000 0.216 316 P C 1.005 178.172 177.300 -0.222 0.000 1.150 316 P CA 1.188 64.191 63.100 -0.163 0.000 0.843 316 P CB -0.029 31.628 31.700 -0.072 0.000 0.787 317 I N -1.371 119.039 120.570 -0.267 0.000 2.252 317 I HA -0.141 4.033 4.170 0.006 0.000 0.245 317 I C 2.267 178.245 176.117 -0.232 0.000 1.102 317 I CA 1.391 62.564 61.300 -0.212 0.000 1.385 317 I CB -1.603 36.289 38.000 -0.180 0.000 1.064 317 I HN -0.116 nan 8.210 nan 0.000 0.414 318 V N -0.046 119.602 119.914 -0.442 0.000 2.358 318 V HA -0.248 3.875 4.120 0.006 0.000 0.246 318 V C 2.343 178.322 176.094 -0.193 0.000 1.047 318 V CA 1.652 63.633 62.300 -0.531 0.000 1.035 318 V CB -0.813 30.330 31.823 -1.132 0.000 0.658 318 V HN 0.421 nan 8.190 nan 0.000 0.452 319 W N 0.471 121.765 121.300 -0.011 0.000 2.363 319 W HA -0.011 4.655 4.660 0.010 0.000 0.296 319 W C 2.526 179.200 176.519 0.258 0.000 1.212 319 W CA 0.411 57.851 57.345 0.158 0.000 1.260 319 W CB -0.891 28.694 29.460 0.209 0.000 1.131 319 W HN 0.287 nan 8.180 nan 0.000 0.530 320 G N 1.168 110.131 108.800 0.272 0.000 2.491 320 G HA2 -0.296 3.668 3.960 0.006 0.000 0.218 320 G HA3 -0.296 3.668 3.960 0.006 0.000 0.218 320 G C 1.396 176.449 174.900 0.256 0.000 1.180 320 G CA 1.125 46.333 45.100 0.179 0.000 0.774 320 G HN 0.018 nan 8.290 nan 0.000 0.562 321 L N 1.499 122.799 121.223 0.129 0.000 2.013 321 L HA -0.057 4.286 4.340 0.006 0.000 0.212 321 L C 3.325 180.335 176.870 0.234 0.000 1.073 321 L CA 1.884 56.779 54.840 0.092 0.000 0.753 321 L CB -1.261 40.839 42.059 0.069 0.000 0.890 321 L HN 0.326 nan 8.230 nan 0.000 0.432 322 A N -1.496 121.535 122.820 0.351 0.000 1.940 322 A HA -0.284 4.039 4.320 0.006 0.000 0.219 322 A C 2.265 180.134 177.584 0.476 0.000 1.176 322 A CA 1.809 54.105 52.037 0.432 0.000 0.631 322 A CB -0.916 18.388 19.000 0.506 0.000 0.814 322 A HN 0.422 nan 8.150 nan 0.000 0.446 323 F N -0.679 119.503 119.950 0.387 0.000 2.084 323 F HA -0.011 4.520 4.527 0.006 0.000 0.296 323 F C 1.683 177.611 175.800 0.214 0.000 1.111 323 F CA 2.065 60.258 58.000 0.321 0.000 1.224 323 F CB 0.106 39.257 39.000 0.250 0.000 0.991 323 F HN 0.318 nan 8.300 nan 0.000 0.471 324 Q N -0.424 119.385 119.800 0.016 0.000 2.168 324 Q HA 0.256 4.600 4.340 0.006 0.000 0.255 324 Q C 0.477 176.329 176.000 -0.246 0.000 0.810 324 Q CA 0.252 55.938 55.803 -0.195 0.000 1.018 324 Q CB 0.161 28.671 28.738 -0.381 0.000 1.329 324 Q HN 0.598 nan 8.270 nan 0.000 0.387 325 G N 1.775 110.267 108.800 -0.513 0.000 2.651 325 G HA2 -0.486 3.478 3.960 0.006 0.000 0.315 325 G HA3 -0.486 3.478 3.960 0.006 0.000 0.315 325 G C 0.577 175.279 174.900 -0.330 0.000 1.258 325 G CA 0.829 45.361 45.100 -0.946 0.000 1.002 325 G HN 0.549 nan 8.290 nan 0.000 0.551 326 E N -0.077 119.976 120.200 -0.245 0.000 2.049 326 E HA -0.247 4.106 4.350 0.006 0.000 0.198 326 E C 2.424 178.990 176.600 -0.055 0.000 1.007 326 E CA 1.781 58.119 56.400 -0.103 0.000 0.809 326 E CB -0.229 29.434 29.700 -0.061 0.000 0.749 326 E HN 0.436 nan 8.360 nan 0.000 0.450 327 K N 0.164 120.541 120.400 -0.037 0.000 2.057 327 K HA -0.130 4.194 4.320 0.006 0.000 0.207 327 K C 2.091 178.748 176.600 0.094 0.000 1.049 327 K CA 1.450 57.752 56.287 0.024 0.000 0.931 327 K CB -0.596 31.924 32.500 0.033 0.000 0.714 327 K HN 0.275 nan 8.250 nan 0.000 0.440 328 G N 0.806 109.688 108.800 0.136 0.000 2.421 328 G HA2 -0.205 3.759 3.960 0.006 0.000 0.216 328 G HA3 -0.205 3.759 3.960 0.006 0.000 0.216 328 G C 1.659 176.599 174.900 0.068 0.000 1.171 328 G CA 0.986 46.268 45.100 0.304 0.000 0.775 328 G HN 0.196 nan 8.290 nan 0.000 0.543 329 V N 0.502 120.412 119.914 -0.006 0.000 2.295 329 V HA -0.265 3.859 4.120 0.006 0.000 0.246 329 V C 2.773 178.816 176.094 -0.084 0.000 1.049 329 V CA 2.339 64.596 62.300 -0.072 0.000 1.024 329 V CB -0.610 31.171 31.823 -0.070 0.000 0.648 329 V HN 0.484 nan 8.190 nan 0.000 0.447 330 Q N -0.338 119.434 119.800 -0.047 0.000 2.061 330 Q HA -0.279 4.064 4.340 0.006 0.000 0.204 330 Q C 2.037 178.011 176.000 -0.045 0.000 0.984 330 Q CA 2.191 57.969 55.803 -0.041 0.000 0.846 330 Q CB -0.151 28.577 28.738 -0.017 0.000 0.902 330 Q HN 0.639 nan 8.270 nan 0.000 0.421 331 D N -0.418 119.969 120.400 -0.021 0.000 2.104 331 D HA -0.162 4.481 4.640 0.006 0.000 0.194 331 D C 1.947 178.153 176.300 -0.157 0.000 0.994 331 D CA 1.279 55.266 54.000 -0.022 0.000 0.830 331 D CB -0.323 40.543 40.800 0.110 0.000 0.959 331 D HN 0.124 nan 8.370 nan 0.000 0.452 332 V N 0.863 120.583 119.914 -0.324 0.000 2.295 332 V HA -0.217 3.906 4.120 0.006 0.000 0.246 332 V C 2.645 178.618 176.094 -0.201 0.000 1.049 332 V CA 1.198 63.255 62.300 -0.405 0.000 1.024 332 V CB -0.445 31.103 31.823 -0.458 0.000 0.648 332 V HN 0.205 nan 8.190 nan 0.000 0.447 333 L N -0.505 120.629 121.223 -0.149 0.000 2.046 333 L HA -0.196 4.147 4.340 0.006 0.000 0.208 333 L C 2.560 179.387 176.870 -0.071 0.000 1.077 333 L CA 1.683 56.461 54.840 -0.104 0.000 0.747 333 L CB -0.593 41.411 42.059 -0.091 0.000 0.896 333 L HN 0.394 nan 8.230 nan 0.000 0.432 334 E N 0.128 120.292 120.200 -0.059 0.000 2.106 334 E HA -0.192 4.162 4.350 0.006 0.000 0.192 334 E C 2.279 178.867 176.600 -0.020 0.000 0.984 334 E CA 0.994 57.377 56.400 -0.029 0.000 0.806 334 E CB -0.031 29.659 29.700 -0.017 0.000 0.750 334 E HN 0.484 nan 8.360 nan 0.000 0.458 335 I N 0.911 121.459 120.570 -0.036 0.000 2.179 335 I HA -0.288 3.886 4.170 0.006 0.000 0.242 335 I C 2.302 178.412 176.117 -0.012 0.000 1.088 335 I CA 0.999 62.288 61.300 -0.019 0.000 1.357 335 I CB -0.135 37.851 38.000 -0.024 0.000 1.051 335 I HN 0.110 nan 8.210 nan 0.000 0.409 336 L N 0.458 121.660 121.223 -0.035 0.000 2.046 336 L HA -0.254 4.090 4.340 0.006 0.000 0.208 336 L C 2.639 179.527 176.870 0.031 0.000 1.077 336 L CA 1.465 56.290 54.840 -0.025 0.000 0.747 336 L CB -0.561 41.453 42.059 -0.075 0.000 0.896 336 L HN 0.222 nan 8.230 nan 0.000 0.432 337 K N 0.097 120.512 120.400 0.025 0.000 2.026 337 K HA -0.269 4.054 4.320 0.006 0.000 0.208 337 K C 2.110 178.769 176.600 0.099 0.000 1.048 337 K CA 1.856 58.191 56.287 0.079 0.000 0.929 337 K CB 0.054 32.576 32.500 0.037 0.000 0.713 337 K HN 0.084 nan 8.250 nan 0.000 0.439 338 E N 1.202 121.431 120.200 0.048 0.000 2.047 338 E HA -0.164 4.189 4.350 0.006 0.000 0.191 338 E C 1.615 178.234 176.600 0.032 0.000 0.987 338 E CA 1.649 58.066 56.400 0.029 0.000 0.799 338 E CB -0.031 29.677 29.700 0.014 0.000 0.752 338 E HN 0.320 nan 8.360 nan 0.000 0.449 339 E N -0.708 119.520 120.200 0.046 0.000 2.085 339 E HA -0.194 4.159 4.350 0.006 0.000 0.194 339 E C 1.899 178.552 176.600 0.089 0.000 0.994 339 E CA 1.147 57.577 56.400 0.050 0.000 0.801 339 E CB -0.354 29.372 29.700 0.044 0.000 0.743 339 E HN 0.306 nan 8.360 nan 0.000 0.453 340 F N 2.015 121.943 119.950 -0.036 0.000 2.134 340 F HA -0.150 4.380 4.527 0.005 0.000 0.299 340 F C 2.427 178.213 175.800 -0.023 0.000 1.097 340 F CA 1.491 59.471 58.000 -0.033 0.000 1.264 340 F CB -0.204 38.772 39.000 -0.041 0.000 1.001 340 F HN -0.201 nan 8.300 nan 0.000 0.479 341 R N 0.154 120.567 120.500 -0.145 0.000 2.083 341 R HA -0.207 4.136 4.340 0.006 0.000 0.237 341 R C 2.274 178.457 176.300 -0.195 0.000 1.137 341 R CA 2.008 57.975 56.100 -0.221 0.000 0.951 341 R CB -0.847 29.401 30.300 -0.085 0.000 0.851 341 R HN 0.437 nan 8.270 nan 0.000 0.434 342 L N 0.714 121.873 121.223 -0.106 0.000 2.056 342 L HA -0.011 4.333 4.340 0.006 0.000 0.207 342 L C 2.341 179.156 176.870 -0.092 0.000 1.078 342 L CA 2.056 56.850 54.840 -0.078 0.000 0.749 342 L CB -0.637 41.400 42.059 -0.037 0.000 0.901 342 L HN 0.243 nan 8.230 nan 0.000 0.433 343 A N -0.566 122.198 122.820 -0.093 0.000 1.908 343 A HA -0.265 4.058 4.320 0.006 0.000 0.218 343 A C 2.297 179.798 177.584 -0.137 0.000 1.181 343 A CA 2.299 54.293 52.037 -0.071 0.000 0.627 343 A CB -0.587 18.416 19.000 0.004 0.000 0.818 343 A HN 0.531 nan 8.150 nan 0.000 0.445 344 M N -0.674 118.746 119.600 -0.301 0.000 2.065 344 M HA -0.199 4.284 4.480 0.006 0.000 0.259 344 M C 2.616 178.815 176.300 -0.168 0.000 1.069 344 M CA 1.676 56.791 55.300 -0.307 0.000 1.110 344 M CB -0.521 31.773 32.600 -0.509 0.000 1.328 344 M HN 0.495 nan 8.290 nan 0.000 0.405 345 A N 0.428 123.157 122.820 -0.150 0.000 1.883 345 A HA -0.162 4.161 4.320 0.006 0.000 0.217 345 A C 2.034 179.580 177.584 -0.063 0.000 1.186 345 A CA 1.611 53.593 52.037 -0.093 0.000 0.624 345 A CB -1.071 17.881 19.000 -0.080 0.000 0.822 345 A HN 0.504 nan 8.150 nan 0.000 0.444 346 L N 0.353 121.541 121.223 -0.058 0.000 2.376 346 L HA -0.072 4.271 4.340 0.006 0.000 0.219 346 L C 2.446 179.301 176.870 -0.025 0.000 1.133 346 L CA 1.210 56.029 54.840 -0.035 0.000 0.816 346 L CB -0.229 41.812 42.059 -0.029 0.000 0.933 346 L HN 0.591 nan 8.230 nan 0.000 0.449 347 S N -1.010 114.672 115.700 -0.031 0.000 2.575 347 S HA 0.199 4.672 4.470 0.006 0.000 0.215 347 S C 1.410 176.006 174.600 -0.007 0.000 0.966 347 S CA 0.311 58.506 58.200 -0.009 0.000 0.911 347 S CB 0.522 63.723 63.200 0.002 0.000 0.780 347 S HN 0.479 nan 8.310 nan 0.000 0.514 348 G N 0.243 109.029 108.800 -0.023 0.000 2.132 348 G HA2 -0.226 3.737 3.960 0.006 0.000 0.228 348 G HA3 -0.226 3.737 3.960 0.006 0.000 0.228 348 G C -0.034 174.852 174.900 -0.024 0.000 1.000 348 G CA -0.208 44.881 45.100 -0.018 0.000 0.693 348 G HN 0.643 nan 8.290 nan 0.000 0.515 349 C N 0.955 120.229 119.300 -0.044 0.000 2.239 349 C HA 0.480 4.943 4.460 0.006 0.000 0.325 349 C C 1.689 176.638 174.990 -0.067 0.000 1.231 349 C CA -0.410 58.578 59.018 -0.050 0.000 1.652 349 C CB 0.786 28.488 27.740 -0.064 0.000 2.284 349 C HN 0.641 nan 8.230 nan 0.000 0.499 350 Q N 1.886 121.660 119.800 -0.043 0.000 2.245 350 Q HA -0.049 4.294 4.340 0.006 0.000 0.201 350 Q C 0.496 176.471 176.000 -0.041 0.000 0.955 350 Q CA 1.054 56.832 55.803 -0.041 0.000 0.870 350 Q CB 0.154 28.878 28.738 -0.024 0.000 0.945 350 Q HN 0.970 nan 8.270 nan 0.000 0.461 351 N N -3.358 115.324 118.700 -0.031 0.000 3.116 351 N HA 0.072 4.815 4.740 0.006 0.000 0.244 351 N C 0.197 175.716 175.510 0.016 0.000 1.485 351 N CA -0.227 52.818 53.050 -0.008 0.000 0.884 351 N CB 0.754 39.244 38.487 0.006 0.000 1.415 351 N HN -0.166 nan 8.380 nan 0.000 0.524 352 V N -2.428 117.521 119.914 0.059 0.000 2.809 352 V HA 0.027 4.150 4.120 0.006 0.000 0.256 352 V C 1.409 177.541 176.094 0.064 0.000 1.080 352 V CA 1.216 63.576 62.300 0.100 0.000 1.102 352 V CB -0.874 31.036 31.823 0.146 0.000 0.705 352 V HN 0.644 nan 8.190 nan 0.000 0.475 353 K N 1.424 121.849 120.400 0.041 0.000 2.283 353 K HA 0.033 4.356 4.320 0.006 0.000 0.202 353 K C 1.804 178.417 176.600 0.021 0.000 1.048 353 K CA 1.559 57.862 56.287 0.027 0.000 0.948 353 K CB -0.180 32.332 32.500 0.020 0.000 0.742 353 K HN 0.669 nan 8.250 nan 0.000 0.458 354 V N -1.287 118.639 119.914 0.020 0.000 3.596 354 V HA 0.227 4.351 4.120 0.006 0.000 0.289 354 V C 0.553 176.659 176.094 0.020 0.000 1.336 354 V CA -0.180 62.129 62.300 0.015 0.000 1.137 354 V CB -0.533 31.294 31.823 0.007 0.000 0.966 354 V HN 0.060 nan 8.190 nan 0.000 0.428 355 I N 4.627 125.217 120.570 0.033 0.000 2.311 355 I HA 0.237 4.410 4.170 0.006 0.000 0.297 355 I C 0.101 176.239 176.117 0.035 0.000 1.131 355 I CA 0.064 61.391 61.300 0.044 0.000 1.289 355 I CB -0.122 37.926 38.000 0.080 0.000 1.446 355 I HN 0.479 nan 8.210 nan 0.000 0.524 356 D N 6.172 126.590 120.400 0.030 0.000 2.384 356 D HA 0.169 4.812 4.640 0.006 0.000 0.250 356 D C 0.728 177.042 176.300 0.022 0.000 1.029 356 D CA -0.838 53.174 54.000 0.020 0.000 0.990 356 D CB 1.262 42.072 40.800 0.017 0.000 1.175 356 D HN 0.460 nan 8.370 nan 0.000 0.532 357 K N -1.057 119.349 120.400 0.010 0.000 2.209 357 K HA -0.160 4.164 4.320 0.006 0.000 0.204 357 K C 1.627 178.245 176.600 0.030 0.000 1.048 357 K CA 1.712 58.005 56.287 0.011 0.000 0.940 357 K CB -0.765 31.737 32.500 0.002 0.000 0.729 357 K HN 0.504 nan 8.250 nan 0.000 0.451 358 T N -0.327 114.241 114.554 0.023 0.000 3.051 358 T HA 0.016 4.369 4.350 0.006 0.000 0.269 358 T C 1.728 176.462 174.700 0.058 0.000 1.127 358 T CA 0.468 62.576 62.100 0.013 0.000 1.107 358 T CB -0.351 68.518 68.868 0.002 0.000 0.898 358 T HN 0.223 nan 8.240 nan 0.000 0.517 359 L N 1.266 122.547 121.223 0.095 0.000 2.376 359 L HA 0.187 4.530 4.340 0.006 0.000 0.219 359 L C 0.920 177.943 176.870 0.256 0.000 1.133 359 L CA 0.110 55.047 54.840 0.161 0.000 0.816 359 L CB -0.290 41.839 42.059 0.116 0.000 0.933 359 L HN 0.384 nan 8.230 nan 0.000 0.449 360 V N -3.237 116.811 119.914 0.224 0.000 2.962 360 V HA 0.640 4.764 4.120 0.006 0.000 0.313 360 V C -0.615 175.693 176.094 0.356 0.000 1.099 360 V CA -0.873 61.638 62.300 0.351 0.000 0.971 360 V CB 2.300 34.292 31.823 0.280 0.000 1.028 360 V HN 0.056 nan 8.190 nan 0.000 0.430 361 R N 1.626 122.416 120.500 0.483 0.000 2.584 361 R HA 0.490 4.833 4.340 0.006 0.000 0.276 361 R C -0.949 175.449 176.300 0.163 0.000 1.046 361 R CA -0.820 55.453 56.100 0.288 0.000 0.906 361 R CB 2.965 33.297 30.300 0.054 0.000 1.215 361 R HN 0.891 nan 8.270 nan 0.000 0.449 362 K N 0.000 120.237 120.400 -0.272 0.000 2.780 362 K HA 0.000 4.323 4.320 0.006 0.000 0.191 362 K CA 0.000 55.850 56.287 -0.728 0.000 0.838 362 K CB 0.000 31.675 32.500 -1.376 0.000 1.064 362 K HN 0.000 nan 8.250 nan 0.000 0.543