============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 13 0.900 38.732 47.783 37.479 -99.200 -91.000 TYR 15 0.840 35.559 43.558 31.311 -99.200 -91.000 PHE 21 1.000 26.010 54.289 30.320 -99.200 -91.000 TRP 25 1.040 33.969 51.267 37.572 -99.200 -91.000 TRP6 25 1.020 32.309 51.013 35.883 -99.200 -91.000 PHE 31 1.000 24.020 50.267 44.584 -99.200 -91.000 HIS 32 0.900 27.566 51.361 50.662 -99.200 -91.000 TYR 43 0.840 27.657 41.458 25.335 -99.200 -91.000 TRP 50 1.040 10.285 39.714 27.163 -99.200 -91.000 TRP6 50 1.020 11.030 37.938 25.748 -99.200 -91.000 PHE 71 1.000 7.986 57.682 31.472 -99.200 -91.000 HIS 106 0.900 23.089 45.814 29.674 -99.200 -91.000 PHE 116 1.000 24.197 44.709 43.394 -99.200 -91.000 TRP 117 1.040 29.908 39.029 43.330 -99.200 -91.000 TRP6 117 1.020 28.657 37.711 41.796 -99.200 -91.000 TYR 125 0.840 24.455 36.353 32.254 -99.200 -91.000 TYR 137 0.840 26.293 46.255 22.105 -99.200 -91.000 TYR 138 0.840 25.105 47.895 12.108 -99.200 -91.000 HIS 139 0.900 20.090 46.759 12.825 -99.200 -91.000 PHE 140 1.000 21.662 50.455 22.638 -99.200 -91.000 PHE 149 1.000 27.749 55.576 11.913 -99.200 -91.000 TRP 153 1.040 26.489 42.843 9.184 -99.200 -91.000 TRP6 153 1.020 26.169 42.370 11.476 -99.200 -91.000 TYR 156 0.840 28.609 46.214 16.105 -99.200 -91.000 PHE 160 1.000 28.973 40.415 19.291 -99.200 -91.000 TYR 167 0.840 28.193 47.294 29.553 -99.200 -91.000 TRP 170 1.040 27.153 36.875 23.798 -99.200 -91.000 TRP6 170 1.020 27.496 34.551 23.394 -99.200 -91.000 PHE 171 1.000 32.585 34.705 21.264 -99.200 -91.000 HIS 173 0.900 28.361 40.143 30.272 -99.200 -91.000 TRP 177 1.040 27.579 37.902 34.448 -99.200 -91.000 TRP6 177 1.020 26.485 38.276 36.511 -99.200 -91.000 TRP 178 1.040 27.542 27.663 32.760 -99.200 -91.000 TRP6 178 1.020 25.287 27.072 32.296 -99.200 -91.000 HIS 184 0.900 25.501 35.387 44.752 -99.200 -91.000 PHE 188 1.000 23.338 31.234 31.750 -99.200 -91.000 TYR 190 0.840 20.456 29.062 27.266 -99.200 -91.000 TYR 191 0.840 15.282 37.398 22.943 -99.200 -91.000 PHE 208 1.000 16.552 33.069 41.450 -99.200 -91.000 HIS 223 0.900 -2.338 40.690 26.028 -99.200 -91.000 HIS 224 0.900 2.315 44.802 31.446 -99.200 -91.000 PHE 227 1.000 8.866 43.522 19.374 -99.200 -91.000 TYR 238 0.840 14.994 52.038 27.801 -99.200 -91.000 HIS 240 0.900 11.929 56.806 29.472 -99.200 -91.000 HIS 248 0.900 13.345 55.170 20.439 -99.200 -91.000 PHE 253 1.000 15.589 49.280 24.035 -99.200 -91.000 TRP 262 1.040 21.081 34.298 13.402 -99.200 -91.000 TRP6 262 1.020 22.452 33.114 11.853 -99.200 -91.000 TYR 265 0.840 19.971 42.736 9.570 -99.200 -91.000 PHE 266 1.000 26.014 36.931 11.888 -99.200 -91.000 PHE 274 1.000 29.159 34.975 15.570 -99.200 -91.000 TYR 278 0.840 28.996 30.188 19.799 -99.200 -91.000 PHE 289 1.000 23.943 31.110 24.556 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z5fA1 PRO 4 HA 0.02 -0.00 0.21 -0.51 4.44 4.16 2z5fA1 PRO 4 HB2 0.01 0.01 -0.04 -0.04 2.28 2.22 2z5fA1 PRO 4 HB3 0.01 0.03 -0.00 -0.04 2.02 2.02 2z5fA1 PRO 4 HG2 0.01 0.01 0.02 -0.04 2.03 2.03 2z5fA1 PRO 4 HG3 0.01 0.05 0.01 -0.04 2.03 2.06 2z5fA1 PRO 4 HD2 0.01 -0.05 0.08 -0.04 3.68 3.68 2z5fA1 PRO 4 HD3 0.01 0.05 0.03 -0.04 3.65 3.71 2z5fA1 LYS 5 H 0.01 0.20 0.10 -0.55 8.42 8.17 2z5fA1 LYS 5 HA 0.00 0.09 0.35 -0.75 4.32 4.02 2z5fA1 LYS 5 HB2 0.01 -0.02 0.12 -0.04 1.87 1.94 2z5fA1 LYS 5 HB3 0.00 0.05 -0.01 -0.04 1.79 1.79 2z5fA1 LYS 5 HG2 -0.00 0.05 0.08 -0.04 1.46 1.55 2z5fA1 LYS 5 HG3 0.00 -0.02 0.06 -0.04 1.46 1.46 2z5fA1 LYS 5 HD2 0.00 -0.01 0.02 -0.04 1.69 1.66 2z5fA1 LYS 5 HD3 0.00 0.02 0.02 -0.04 1.68 1.67 2z5fA1 LYS 5 HE2 -0.00 0.02 0.01 -0.04 2.99 2.98 2z5fA1 LYS 5 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.96 2z5fA1 ASP 6 H 0.01 0.02 -0.56 -0.55 8.40 7.33 2z5fA1 ASP 6 HA 0.01 0.22 0.71 -0.75 4.63 4.82 2z5fA1 ASP 6 HB2 0.02 -0.01 -0.01 -0.04 2.71 2.67 2z5fA1 ASP 6 HB3 0.02 0.02 0.06 -0.04 2.70 2.76 2z5fA1 ILE 7 H 0.01 0.34 -0.05 -0.55 8.25 8.01 2z5fA1 ILE 7 HA 0.01 0.19 0.89 -0.75 4.18 4.52 2z5fA1 ILE 7 HB 0.02 -0.08 0.13 -0.04 1.89 1.91 2z5fA1 ILE 7 HG12 0.03 -0.08 0.06 -0.04 1.49 1.45 2z5fA1 ILE 7 HG13 0.02 0.22 0.02 -0.04 1.21 1.43 2z5fA1 ILE 7 HG23 0.05 -0.01 -0.08 -0.04 0.93 0.85 2z5fA1 ILE 7 HD13 0.05 -0.02 0.01 -0.04 0.88 0.87 2z5fA1 LEU 8 H 0.00 0.15 -0.13 -0.55 8.37 7.85 2z5fA1 LEU 8 HA -0.01 0.13 0.53 -0.75 4.35 4.24 2z5fA1 LEU 8 HB2 -0.00 -0.04 0.07 -0.04 1.64 1.62 2z5fA1 LEU 8 HB3 -0.01 0.09 0.03 -0.04 1.64 1.71 2z5fA1 LEU 8 HG 0.00 0.21 -0.09 -0.04 1.64 1.72 2z5fA1 LEU 8 HD13 -0.00 -0.03 -0.08 -0.04 0.93 0.78 2z5fA1 LEU 8 HD23 -0.00 -0.00 -0.12 -0.04 0.89 0.72 2z5fA1 ARG 9 H -0.02 0.56 0.32 -0.55 8.46 8.77 2z5fA1 ARG 9 HA 0.00 0.32 0.15 -0.75 4.34 4.06 2z5fA1 ARG 9 HB2 0.00 0.06 -0.36 -0.04 1.90 1.56 2z5fA1 ARG 9 HB3 0.02 -0.14 0.18 -0.04 1.80 1.82 2z5fA1 ARG 9 HG2 -0.00 0.08 0.03 -0.04 1.67 1.74 2z5fA1 ARG 9 HG3 0.01 -0.10 -0.02 -0.04 1.67 1.51 2z5fA1 ARG 9 HD2 0.09 -0.22 0.04 -0.04 3.22 3.09 2z5fA1 ARG 9 HD3 0.01 0.43 0.07 -0.04 3.22 3.69 2z5fA1 LYS 10 H -0.01 0.16 -0.45 -0.55 8.42 7.57 2z5fA1 LYS 10 HA 0.00 0.10 0.63 -0.75 4.32 4.30 2z5fA1 LYS 10 HB2 -0.01 -0.05 -0.06 -0.04 1.87 1.72 2z5fA1 LYS 10 HB3 -0.00 -0.04 0.04 -0.04 1.79 1.75 2z5fA1 LYS 10 HG2 0.00 -0.02 -0.57 -0.04 1.46 0.83 2z5fA1 LYS 10 HG3 0.00 0.12 -0.04 -0.04 1.46 1.50 2z5fA1 LYS 10 HD2 0.00 -0.11 -0.01 -0.04 1.69 1.53 2z5fA1 LYS 10 HD3 0.00 0.05 -0.19 -0.04 1.68 1.50 2z5fA1 LYS 10 HE2 0.00 -0.12 -0.01 -0.04 2.99 2.82 2z5fA1 LYS 10 HE3 0.00 0.20 -0.09 -0.04 2.99 3.06 2z5fA1 ASP 11 H 0.00 0.08 0.14 -0.55 8.40 8.07 2z5fA1 ASP 11 HA 0.01 0.01 0.42 -0.75 4.63 4.31 2z5fA1 ASP 11 HB2 -0.00 -0.03 0.07 -0.04 2.71 2.70 2z5fA1 ASP 11 HB3 -0.00 0.14 0.03 -0.04 2.70 2.83 2z5fA1 LEU 12 H -0.00 0.06 0.16 -0.55 8.37 8.03 2z5fA1 LEU 12 HA -0.02 0.15 0.65 -0.75 4.35 4.37 2z5fA1 LEU 12 HB2 -0.01 -0.02 -0.04 -0.04 1.64 1.53 2z5fA1 LEU 12 HB3 -0.01 -0.09 -0.07 -0.04 1.64 1.43 2z5fA1 LEU 12 HG -0.00 0.03 0.06 -0.04 1.64 1.69 2z5fA1 LEU 12 HD13 0.01 -0.00 -0.26 -0.04 0.93 0.64 2z5fA1 LEU 12 HD23 -0.01 -0.03 -0.21 -0.04 0.89 0.60 2z5fA1 LYS 13 H -0.02 0.50 0.26 -0.55 8.42 8.60 2z5fA1 LYS 13 HA -0.02 0.10 0.74 -0.75 4.32 4.39 2z5fA1 LYS 13 HB2 -0.02 0.01 -0.00 -0.04 1.87 1.81 2z5fA1 LYS 13 HB3 -0.03 0.03 0.02 -0.04 1.79 1.77 2z5fA1 LYS 13 HG2 -0.01 0.03 -0.08 -0.04 1.46 1.36 2z5fA1 LYS 13 HG3 -0.00 0.03 -0.04 -0.04 1.46 1.41 2z5fA1 LYS 13 HD2 0.02 0.00 -0.03 -0.04 1.69 1.64 2z5fA1 LYS 13 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.60 2z5fA1 LYS 13 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 2z5fA1 LYS 13 HE3 0.02 0.03 0.00 -0.04 2.99 3.00 2z5fA1 LEU 14 H -0.04 0.12 0.07 -0.55 8.37 7.97 2z5fA1 LEU 14 HA -0.05 0.31 0.47 -0.75 4.35 4.33 2z5fA1 LEU 14 HB2 -0.06 -0.01 0.04 -0.04 1.64 1.56 2z5fA1 LEU 14 HB3 -0.06 -0.11 -0.16 -0.04 1.64 1.26 2z5fA1 LEU 14 HG -0.03 -0.03 -0.17 -0.04 1.64 1.36 2z5fA1 LEU 14 HD13 -0.04 0.00 -0.06 -0.04 0.93 0.80 2z5fA1 LEU 14 HD23 -0.03 0.01 -0.39 -0.04 0.89 0.43 2z5fA1 VAL 15 H -0.10 0.71 0.22 -0.55 8.24 8.51 2z5fA1 VAL 15 HA -0.26 0.13 0.71 -0.75 4.13 3.96 2z5fA1 VAL 15 HB -0.60 0.01 0.08 -0.04 2.12 1.57 2z5fA1 VAL 15 HG13 -1.08 0.00 -0.03 -0.04 0.97 -0.18 2z5fA1 VAL 15 HG23 -0.37 0.05 -0.12 -0.04 0.95 0.47 2z5fA1 HIS 16 H -0.36 0.17 0.05 -0.55 8.41 7.73 2z5fA1 HIS 16 HA -0.05 0.03 0.28 -0.75 4.63 4.15 2z5fA1 HIS 16 HB2 0.05 0.11 -0.11 -0.04 3.26 3.27 2z5fA1 HIS 16 HB3 0.08 0.03 0.19 -0.04 3.20 3.46 2z5fA1 HIS 16 HD2 -0.27 0.01 -0.11 -0.04 6.97 6.55 2z5fA1 HIS 16 HE1 0.08 0.00 0.00 -0.04 7.75 7.79 2z5fA1 GLY 17 H -0.07 0.02 -0.39 -0.55 8.43 7.45 2z5fA1 GLY 17 HA2 -0.10 -0.03 0.21 -0.51 4.01 3.58 2z5fA1 GLY 17 HA3 -0.17 0.13 0.48 -0.51 4.01 3.93 2z5fA1 TYR 18 H 0.05 0.51 -0.34 -0.55 8.29 7.96 2z5fA1 TYR 18 HA 0.02 0.21 0.88 -0.75 4.56 4.92 2z5fA1 TYR 18 HB2 -0.05 0.08 0.07 -0.04 3.06 3.12 2z5fA1 TYR 18 HB3 0.02 0.02 -0.11 -0.04 2.98 2.87 2z5fA1 TYR 18 HD2 0.09 0.05 -0.12 -0.04 7.15 7.14 2z5fA1 TYR 18 HE2 0.11 -0.04 -0.03 -0.04 6.85 6.85 2z5fA1 PRO 19 HA -0.00 0.07 0.27 -0.51 4.44 4.27 2z5fA1 PRO 19 HB2 0.05 0.06 -0.33 -0.04 2.28 2.02 2z5fA1 PRO 19 HB3 0.01 -0.00 -0.16 -0.04 2.02 1.83 2z5fA1 PRO 19 HG2 0.05 0.15 0.19 -0.04 2.03 2.37 2z5fA1 PRO 19 HG3 0.01 0.01 -0.00 -0.04 2.03 2.01 2z5fA1 PRO 19 HD2 0.18 0.05 0.28 -0.04 3.68 4.15 2z5fA1 PRO 19 HD3 0.05 0.23 0.25 -0.04 3.65 4.14 2z5fA1 MET 20 H -0.04 0.43 0.23 -0.55 8.47 8.54 2z5fA1 MET 20 HA -0.16 -0.06 0.85 -0.75 4.52 4.39 2z5fA1 MET 20 HB2 -0.10 0.16 0.05 -0.04 2.15 2.22 2z5fA1 MET 20 HB3 -0.04 0.04 -0.06 -0.04 2.03 1.92 2z5fA1 MET 20 HG2 -0.14 0.17 -0.27 -0.04 2.63 2.35 2z5fA1 MET 20 HG3 -0.36 -0.00 -0.06 -0.04 2.56 2.10 2z5fA1 MET 20 HE3 -0.18 -0.03 0.03 -0.04 2.10 1.87 2z5fA1 THR 21 H -0.10 0.08 0.12 -0.55 8.28 7.84 2z5fA1 THR 21 HA -0.09 0.11 0.55 -0.75 4.39 4.20 2z5fA1 THR 21 HB -0.52 -0.05 0.11 -0.04 4.32 3.82 2z5fA1 THR 21 HG23 -0.47 0.02 -0.06 -0.04 1.22 0.68 2z5fA1 CYS 22 H -0.06 0.30 0.19 -0.55 8.50 8.38 2z5fA1 CYS 22 HA 0.00 0.03 0.37 -0.75 4.58 4.23 2z5fA1 CYS 22 HB2 -0.01 0.34 0.07 -0.04 2.97 3.33 2z5fA1 CYS 22 HB3 -0.03 0.07 0.14 -0.04 2.97 3.11 2z5fA1 ALA 23 H -0.09 0.19 -0.04 -0.55 8.40 7.92 2z5fA1 ALA 23 HA 0.09 0.04 0.45 -0.75 4.34 4.16 2z5fA1 ALA 23 HB3 0.02 0.03 0.15 -0.04 1.41 1.58 2z5fA1 PHE 24 H 0.06 0.29 -0.39 -0.55 8.34 7.75 2z5fA1 PHE 24 HA 0.14 0.12 0.57 -0.75 4.62 4.70 2z5fA1 PHE 24 HB2 0.16 0.01 0.03 -0.04 3.15 3.31 2z5fA1 PHE 24 HB3 0.25 0.11 0.16 -0.04 3.06 3.54 2z5fA1 PHE 24 HD2 0.17 0.06 -0.17 -0.04 7.28 7.30 2z5fA1 PHE 24 HE2 0.19 0.04 -0.04 -0.04 7.38 7.53 2z5fA1 PHE 24 HZ 0.15 0.00 -0.04 -0.04 7.32 7.39 2z5fA1 ALA 25 H 0.19 0.43 -0.31 -0.55 8.40 8.16 2z5fA1 ALA 25 HA 0.28 0.09 0.30 -0.75 4.34 4.25 2z5fA1 ALA 25 HB3 0.04 0.02 -0.02 -0.04 1.41 1.41 2z5fA1 SER 26 H 0.21 0.19 -0.25 -0.55 8.46 8.06 2z5fA1 SER 26 HA 0.15 0.10 0.74 -0.75 4.49 4.72 2z5fA1 SER 26 HB2 0.12 0.06 -0.03 -0.04 3.95 4.06 2z5fA1 SER 26 HB3 0.10 -0.11 0.09 -0.04 3.93 3.96 2z5fA1 ASN 27 H 0.12 0.12 0.15 -0.55 8.53 8.37 2z5fA1 ASN 27 HA 0.11 -0.03 0.37 -0.75 4.76 4.46 2z5fA1 ASN 27 HB2 0.07 0.19 0.01 -0.04 2.88 3.11 2z5fA1 ASN 27 HB3 0.06 -0.07 0.21 -0.04 2.79 2.95 2z5fA1 ASN 27 HD21 0.06 0.05 0.03 -0.04 7.03 7.13 2z5fA1 ASN 27 HD22 0.08 -0.10 0.15 -0.04 7.74 7.84 2z5fA1 TRP 28 H 0.32 0.14 -0.09 -0.55 7.97 7.78 2z5fA1 TRP 28 HA 0.07 0.21 0.16 -0.75 4.62 4.32 2z5fA1 TRP 28 HB2 0.08 0.17 -0.01 -0.04 3.23 3.42 2z5fA1 TRP 28 HB3 0.08 -0.05 -0.00 -0.04 3.23 3.22 2z5fA1 TRP 28 HD1 0.20 -0.02 -0.10 -0.04 7.22 7.25 2z5fA1 TRP 28 HE1 0.14 0.10 -0.02 -0.04 10.20 10.38 2z5fA1 TRP 28 HE3 0.09 0.14 -0.04 -0.04 7.59 7.74 2z5fA1 TRP 28 HZ2 0.11 0.04 -0.04 -0.04 7.44 7.50 2z5fA1 TRP 28 HZ3 0.12 0.11 -0.00 -0.04 7.13 7.32 2z5fA1 TRP 28 HH2 0.11 -0.08 -0.02 -0.04 7.19 7.16 2z5fA1 GLU 29 H 0.17 -0.01 -0.34 -0.55 8.60 7.88 2z5fA1 GLU 29 HA 0.11 0.09 0.39 -0.75 4.29 4.12 2z5fA1 GLU 29 HB2 0.06 0.08 -0.08 -0.04 2.09 2.11 2z5fA1 GLU 29 HB3 0.10 0.04 0.05 -0.04 1.99 2.14 2z5fA1 GLU 29 HG2 0.09 -0.16 -0.15 -0.04 2.34 2.08 2z5fA1 GLU 29 HG3 0.06 0.08 -0.02 -0.04 2.34 2.42 2z5fA1 LYS 30 H 0.00 0.22 -0.24 -0.55 8.42 7.85 2z5fA1 LYS 30 HA -0.00 0.07 0.39 -0.75 4.32 4.02 2z5fA1 LYS 30 HB2 -0.05 0.20 0.12 -0.04 1.87 2.10 2z5fA1 LYS 30 HB3 -0.01 -0.00 -0.03 -0.04 1.79 1.71 2z5fA1 LYS 30 HG2 0.02 0.01 0.01 -0.04 1.46 1.46 2z5fA1 LYS 30 HG3 0.02 -0.10 0.05 -0.04 1.46 1.39 2z5fA1 LYS 30 HD2 0.01 0.08 0.06 -0.04 1.69 1.80 2z5fA1 LYS 30 HD3 0.02 -0.01 0.00 -0.04 1.68 1.65 2z5fA1 LYS 30 HE2 0.03 0.01 0.00 -0.04 2.99 2.99 2z5fA1 LYS 30 HE3 0.03 -0.04 0.02 -0.04 2.99 2.96 2z5fA1 ILE 31 H -0.31 0.22 -0.19 -0.55 8.25 7.41 2z5fA1 ILE 31 HA -0.23 0.05 0.50 -0.75 4.18 3.76 2z5fA1 ILE 31 HB -1.36 0.10 0.14 -0.04 1.89 0.74 2z5fA1 ILE 31 HG12 -0.47 -0.05 -0.07 -0.04 1.49 0.86 2z5fA1 ILE 31 HG13 -0.38 -0.07 -0.02 -0.04 1.21 0.71 2z5fA1 ILE 31 HG23 -0.55 -0.00 -0.15 -0.04 0.93 0.19 2z5fA1 ILE 31 HD13 -0.82 0.02 0.03 -0.04 0.88 0.06 2z5fA1 GLU 32 H -0.29 0.48 -0.03 -0.55 8.60 8.21 2z5fA1 GLU 32 HA -0.01 0.06 0.35 -0.75 4.29 3.95 2z5fA1 GLU 32 HB2 0.06 0.09 0.16 -0.04 2.09 2.36 2z5fA1 GLU 32 HB3 0.04 0.09 0.08 -0.04 1.99 2.16 2z5fA1 GLU 32 HG2 0.10 -0.02 -0.03 -0.04 2.34 2.35 2z5fA1 GLU 32 HG3 0.18 0.04 0.05 -0.04 2.34 2.58 2z5fA1 GLN 33 H -0.05 0.32 -0.48 -0.55 8.47 7.72 2z5fA1 GLN 33 HA -0.13 0.08 0.59 -0.75 4.36 4.14 2z5fA1 GLN 33 HB2 -0.03 0.12 0.05 -0.04 2.15 2.25 2z5fA1 GLN 33 HB3 -0.08 -0.06 0.11 -0.04 2.02 1.96 2z5fA1 GLN 33 HG2 -0.02 -0.01 -0.03 -0.04 2.40 2.29 2z5fA1 GLN 33 HG3 0.00 -0.05 -0.13 -0.04 2.39 2.17 2z5fA1 GLN 33 HE21 0.04 -0.06 -0.03 -0.04 6.97 6.88 2z5fA1 GLN 33 HE22 0.05 -0.01 -0.03 -0.04 7.69 7.66 2z5fA1 PHE 34 H 0.00 0.42 -0.34 -0.55 8.34 7.87 2z5fA1 PHE 34 HA -0.14 -0.01 0.45 -0.75 4.62 4.17 2z5fA1 PHE 34 HB2 -0.14 0.04 0.18 -0.04 3.15 3.19 2z5fA1 PHE 34 HB3 -0.18 0.02 0.12 -0.04 3.06 2.98 2z5fA1 PHE 34 HD2 -0.28 -0.05 -0.14 -0.04 7.28 6.76 2z5fA1 PHE 34 HE2 -0.07 -0.02 -0.12 -0.04 7.38 7.13 2z5fA1 PHE 34 HZ 0.02 0.02 -0.11 -0.04 7.32 7.21 2z5fA1 HIS 35 H -0.72 0.12 0.16 -0.55 8.41 7.43 2z5fA1 HIS 35 HA -0.41 0.08 0.87 -0.75 4.63 4.41 2z5fA1 HIS 35 HB2 -0.40 -0.04 0.17 -0.04 3.26 2.95 2z5fA1 HIS 35 HB3 -0.28 0.07 0.01 -0.04 3.20 2.96 2z5fA1 HIS 35 HD2 -0.13 -0.01 0.00 -0.04 6.97 6.78 2z5fA1 HIS 35 HE1 -0.07 -0.07 0.02 -0.04 7.75 7.58 2z5fA1 SER 36 H -0.44 0.09 0.04 -0.55 8.46 7.61 2z5fA1 SER 36 HA -0.27 0.10 0.52 -0.75 4.49 4.09 2z5fA1 SER 36 HB2 -0.16 0.09 -0.04 -0.04 3.95 3.79 2z5fA1 SER 36 HB3 -1.05 -0.07 -0.16 -0.04 3.93 2.60 2z5fA1 ARG 37 H 0.02 0.15 0.16 -0.55 8.46 8.24 2z5fA1 ARG 37 HA -0.03 0.20 0.73 -0.75 4.34 4.48 2z5fA1 ARG 37 HB2 0.02 -0.08 0.08 -0.04 1.90 1.88 2z5fA1 ARG 37 HB3 -0.01 0.02 0.12 -0.04 1.80 1.89 2z5fA1 ARG 37 HG2 -0.06 0.10 -0.28 -0.04 1.67 1.38 2z5fA1 ARG 37 HG3 -0.01 0.01 -0.04 -0.04 1.67 1.59 2z5fA1 ARG 37 HD2 -0.02 -0.04 0.00 -0.04 3.22 3.12 2z5fA1 ARG 37 HD3 -0.04 0.04 -0.05 -0.04 3.22 3.13 2z5fA1 PRO 38 HA 0.05 0.21 0.40 -0.51 4.44 4.59 2z5fA1 PRO 38 HB2 0.01 0.03 0.01 -0.04 2.28 2.29 2z5fA1 PRO 38 HB3 0.02 0.13 0.15 -0.04 2.02 2.28 2z5fA1 PRO 38 HG2 0.00 -0.00 0.08 -0.04 2.03 2.07 2z5fA1 PRO 38 HG3 0.00 0.03 0.09 -0.04 2.03 2.11 2z5fA1 PRO 38 HD2 -0.01 0.05 0.22 -0.04 3.68 3.90 2z5fA1 PRO 38 HD3 -0.01 0.17 0.15 -0.04 3.65 3.93 2z5fA1 ASP 39 H 0.02 -0.03 -0.38 -0.55 8.40 7.46 2z5fA1 ASP 39 HA 0.01 0.29 0.82 -0.75 4.63 5.00 2z5fA1 ASP 39 HB2 0.00 0.03 0.15 -0.04 2.71 2.85 2z5fA1 ASP 39 HB3 -0.00 0.01 0.02 -0.04 2.70 2.68 2z5fA1 ASP 40 H 0.08 0.48 -0.22 -0.55 8.40 8.19 2z5fA1 ASP 40 HA 0.09 0.04 0.60 -0.75 4.63 4.60 2z5fA1 ASP 40 HB2 0.24 0.13 0.11 -0.04 2.71 3.15 2z5fA1 ASP 40 HB3 0.29 -0.01 -0.13 -0.04 2.70 2.80 2z5fA1 ILE 41 H 0.05 0.77 0.37 -0.55 8.25 8.90 2z5fA1 ILE 41 HA 0.04 0.32 0.85 -0.75 4.18 4.63 2z5fA1 ILE 41 HB 0.02 -0.04 0.12 -0.04 1.89 1.95 2z5fA1 ILE 41 HG12 -0.00 -0.00 -0.10 -0.04 1.49 1.35 2z5fA1 ILE 41 HG13 0.01 0.14 -0.38 -0.04 1.21 0.94 2z5fA1 ILE 41 HG23 0.05 -0.03 -0.22 -0.04 0.93 0.68 2z5fA1 ILE 41 HD13 -0.00 -0.02 -0.09 -0.04 0.88 0.73 2z5fA1 VAL 42 H -0.01 0.67 0.27 -0.55 8.24 8.62 2z5fA1 VAL 42 HA -0.17 0.18 0.80 -0.75 4.13 4.19 2z5fA1 VAL 42 HB -0.15 -0.03 0.05 -0.04 2.12 1.94 2z5fA1 VAL 42 HG13 -0.34 -0.03 -0.26 -0.04 0.97 0.30 2z5fA1 VAL 42 HG23 -0.58 0.03 -0.15 -0.04 0.95 0.21 2z5fA1 ILE 43 H -0.14 0.86 0.37 -0.55 8.25 8.78 2z5fA1 ILE 43 HA -0.16 0.29 0.88 -0.75 4.18 4.44 2z5fA1 ILE 43 HB -0.08 0.04 0.01 -0.04 1.89 1.82 2z5fA1 ILE 43 HG12 -0.18 0.12 -0.07 -0.04 1.49 1.32 2z5fA1 ILE 43 HG13 -0.10 -0.05 -0.12 -0.04 1.21 0.90 2z5fA1 ILE 43 HG23 -0.07 -0.01 -0.08 -0.04 0.93 0.73 2z5fA1 ILE 43 HD13 -0.08 -0.04 -0.12 -0.04 0.88 0.59 2z5fA1 ALA 44 H -0.32 0.74 0.26 -0.55 8.40 8.54 2z5fA1 ALA 44 HA -0.29 0.30 0.92 -0.75 4.34 4.52 2z5fA1 ALA 44 HB3 -0.72 0.01 -0.08 -0.04 1.41 0.57 2z5fA1 THR 45 H -0.18 0.58 0.35 -0.55 8.28 8.49 2z5fA1 THR 45 HA -0.71 0.19 0.70 -0.75 4.39 3.81 2z5fA1 THR 45 HB -0.18 0.07 0.04 -0.04 4.32 4.21 2z5fA1 THR 45 HG23 -0.24 -0.04 -0.28 -0.04 1.22 0.62 2z5fA1 TYR 46 H -0.11 0.12 0.10 -0.55 8.29 7.85 2z5fA1 TYR 46 HA -0.71 0.24 0.70 -0.75 4.56 4.03 2z5fA1 TYR 46 HB2 -0.33 -0.02 0.11 -0.04 3.06 2.78 2z5fA1 TYR 46 HB3 -0.04 -0.09 0.03 -0.04 2.98 2.84 2z5fA1 TYR 46 HD2 -0.31 0.04 -0.10 -0.04 7.15 6.74 2z5fA1 TYR 46 HE2 0.27 0.10 -0.24 -0.04 6.85 6.94 2z5fA1 PRO 47 HA -1.19 -0.08 0.29 -0.51 4.44 2.95 2z5fA1 PRO 47 HB2 -1.55 0.04 -0.04 -0.04 2.28 0.69 2z5fA1 PRO 47 HB3 -1.06 -0.01 0.04 -0.04 2.02 0.96 2z5fA1 PRO 47 HG2 -0.73 0.18 0.02 -0.04 2.03 1.47 2z5fA1 PRO 47 HG3 -1.06 -0.00 0.04 -0.04 2.03 0.96 2z5fA1 PRO 47 HD2 -2.46 0.13 0.16 -0.04 3.68 1.47 2z5fA1 PRO 47 HD3 -1.18 0.24 0.23 -0.04 3.65 2.90 2z5fA1 LYS 48 H -0.44 0.06 0.15 -0.55 8.42 7.64 2z5fA1 LYS 48 HA -0.28 -0.02 0.29 -0.75 4.32 3.55 2z5fA1 LYS 48 HB2 -0.19 0.21 0.14 -0.04 1.87 2.00 2z5fA1 LYS 48 HB3 -0.21 -0.06 0.08 -0.04 1.79 1.56 2z5fA1 LYS 48 HG2 -0.86 0.02 -0.59 -0.04 1.46 -0.01 2z5fA1 LYS 48 HG3 -0.21 0.03 -0.32 -0.04 1.46 0.92 2z5fA1 LYS 48 HD2 -0.67 -0.14 -0.00 -0.04 1.69 0.83 2z5fA1 LYS 48 HD3 -1.17 0.08 -0.08 -0.04 1.68 0.47 2z5fA1 LYS 48 HE2 -0.24 0.19 -0.11 -0.04 2.99 2.79 2z5fA1 LYS 48 HE3 -0.36 -0.10 -0.01 -0.04 2.99 2.48 2z5fA1 SER 49 H -0.10 0.08 -0.06 -0.55 8.46 7.84 2z5fA1 SER 49 HA -0.05 0.15 0.56 -0.75 4.49 4.40 2z5fA1 SER 49 HB2 -0.06 0.07 -0.05 -0.04 3.95 3.88 2z5fA1 SER 49 HB3 0.04 -0.09 -0.06 -0.04 3.93 3.77 2z5fA1 GLY 50 H 0.09 -0.07 -0.08 -0.55 8.43 7.83 2z5fA1 GLY 50 HA2 0.44 0.01 0.18 -0.51 4.01 4.13 2z5fA1 GLY 50 HA3 0.56 0.27 0.67 -0.51 4.01 5.01 2z5fA1 THR 51 H 0.12 -0.06 0.01 -0.55 8.28 7.79 2z5fA1 THR 51 HA 0.03 0.18 0.27 -0.75 4.39 4.11 2z5fA1 THR 51 HB 0.15 0.00 -0.04 -0.04 4.32 4.39 2z5fA1 THR 51 HG23 -0.06 0.06 -0.13 -0.04 1.22 1.04 2z5fA1 THR 52 H 0.27 -0.00 -0.18 -0.55 8.28 7.82 2z5fA1 THR 52 HA 0.19 0.18 0.38 -0.75 4.39 4.39 2z5fA1 THR 52 HB 0.42 -0.06 -0.01 -0.04 4.32 4.63 2z5fA1 THR 52 HG23 0.23 0.06 -0.05 -0.04 1.22 1.41 2z5fA1 TRP 53 H 0.43 -0.05 -0.23 -0.55 7.97 7.58 2z5fA1 TRP 53 HA 0.07 0.11 0.41 -0.75 4.62 4.46 2z5fA1 TRP 53 HB2 0.14 -0.12 0.05 -0.04 3.23 3.26 2z5fA1 TRP 53 HB3 0.08 0.19 0.08 -0.04 3.23 3.54 2z5fA1 TRP 53 HD1 0.03 -0.04 0.06 -0.04 7.22 7.23 2z5fA1 TRP 53 HE1 0.01 0.16 -0.02 -0.04 10.20 10.31 2z5fA1 TRP 53 HE3 -0.02 -0.07 -0.03 -0.04 7.59 7.43 2z5fA1 TRP 53 HZ2 -0.05 0.07 -0.09 -0.04 7.44 7.32 2z5fA1 TRP 53 HZ3 -1.30 -0.03 -0.06 -0.04 7.13 5.69 2z5fA1 TRP 53 HH2 -0.26 -0.01 -0.39 -0.04 7.19 6.48 2z5fA1 VAL 54 H 0.18 0.46 -0.22 -0.55 8.24 8.12 2z5fA1 VAL 54 HA -0.15 0.02 0.38 -0.75 4.13 3.63 2z5fA1 VAL 54 HB -0.21 -0.03 -0.03 -0.04 2.12 1.80 2z5fA1 VAL 54 HG13 -0.05 0.03 -0.12 -0.04 0.97 0.78 2z5fA1 VAL 54 HG23 -0.16 0.00 -0.07 -0.04 0.95 0.69 2z5fA1 SER 55 H 0.08 0.51 -0.20 -0.55 8.46 8.30 2z5fA1 SER 55 HA 0.01 0.06 0.52 -0.75 4.49 4.33 2z5fA1 SER 55 HB2 0.08 0.06 0.13 -0.04 3.95 4.18 2z5fA1 SER 55 HB3 0.03 0.01 -0.03 -0.04 3.93 3.90 2z5fA1 GLU 56 H 0.12 0.46 -0.18 -0.55 8.60 8.45 2z5fA1 GLU 56 HA 0.08 0.07 0.50 -0.75 4.29 4.18 2z5fA1 GLU 56 HB2 0.10 0.02 0.08 -0.04 2.09 2.26 2z5fA1 GLU 56 HB3 0.16 0.09 0.05 -0.04 1.99 2.25 2z5fA1 GLU 56 HG2 -0.00 0.02 -0.07 -0.04 2.34 2.24 2z5fA1 GLU 56 HG3 0.24 -0.04 -0.18 -0.04 2.34 2.32 2z5fA1 ILE 57 H 0.08 0.42 -0.10 -0.55 8.25 8.09 2z5fA1 ILE 57 HA 0.07 0.02 0.45 -0.75 4.18 3.96 2z5fA1 ILE 57 HB -0.08 0.08 0.11 -0.04 1.89 1.96 2z5fA1 ILE 57 HG12 0.02 -0.02 -0.04 -0.04 1.49 1.41 2z5fA1 ILE 57 HG13 0.03 0.23 0.04 -0.04 1.21 1.46 2z5fA1 ILE 57 HG23 -0.06 -0.02 -0.17 -0.04 0.93 0.64 2z5fA1 ILE 57 HD13 -0.53 -0.03 -0.12 -0.04 0.88 0.15 2z5fA1 ILE 58 H 0.00 0.60 -0.19 -0.55 8.25 8.12 2z5fA1 ILE 58 HA 0.00 -0.01 0.41 -0.75 4.18 3.83 2z5fA1 ILE 58 HB 0.00 0.09 0.10 -0.04 1.89 2.04 2z5fA1 ILE 58 HG12 -0.00 -0.07 -0.04 -0.04 1.49 1.34 2z5fA1 ILE 58 HG13 -0.03 0.19 0.07 -0.04 1.21 1.41 2z5fA1 ILE 58 HG23 0.01 0.01 -0.14 -0.04 0.93 0.76 2z5fA1 ILE 58 HD13 -0.02 -0.02 -0.12 -0.04 0.88 0.68 2z5fA1 ASP 59 H 0.02 0.56 -0.18 -0.55 8.40 8.26 2z5fA1 ASP 59 HA 0.00 0.09 0.36 -0.75 4.63 4.33 2z5fA1 ASP 59 HB2 0.02 0.11 0.07 -0.04 2.71 2.87 2z5fA1 ASP 59 HB3 0.03 -0.01 0.07 -0.04 2.70 2.76 2z5fA1 MET 60 H 0.03 0.59 -0.22 -0.55 8.47 8.32 2z5fA1 MET 60 HA -0.04 -0.01 0.35 -0.75 4.52 4.06 2z5fA1 MET 60 HB2 0.04 0.17 0.15 -0.04 2.15 2.48 2z5fA1 MET 60 HB3 -0.01 -0.12 -0.07 -0.04 2.03 1.78 2z5fA1 MET 60 HG2 0.01 0.09 -0.03 -0.04 2.63 2.66 2z5fA1 MET 60 HG3 0.11 -0.02 -0.07 -0.04 2.56 2.54 2z5fA1 MET 60 HE3 -0.13 -0.01 -0.14 -0.04 2.10 1.78 2z5fA1 ILE 61 H 0.01 0.66 -0.10 -0.55 8.25 8.26 2z5fA1 ILE 61 HA -0.00 -0.10 0.35 -0.75 4.18 3.67 2z5fA1 ILE 61 HB 0.01 0.16 0.12 -0.04 1.89 2.14 2z5fA1 ILE 61 HG12 0.01 -0.10 -0.05 -0.04 1.49 1.30 2z5fA1 ILE 61 HG13 0.01 0.03 0.01 -0.04 1.21 1.21 2z5fA1 ILE 61 HG23 0.01 -0.00 -0.19 -0.04 0.93 0.71 2z5fA1 ILE 61 HD13 0.00 -0.02 -0.18 -0.04 0.88 0.64 2z5fA1 LEU 62 H -0.00 0.63 -0.24 -0.55 8.37 8.21 2z5fA1 LEU 62 HA -0.01 0.04 0.27 -0.75 4.35 3.90 2z5fA1 LEU 62 HB2 -0.00 0.06 0.06 -0.04 1.64 1.72 2z5fA1 LEU 62 HB3 -0.00 -0.00 0.07 -0.04 1.64 1.66 2z5fA1 LEU 62 HG 0.00 0.07 0.00 -0.04 1.64 1.67 2z5fA1 LEU 62 HD13 0.00 -0.00 -0.10 -0.04 0.93 0.79 2z5fA1 LEU 62 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.78 2z5fA1 ASN 63 H -0.01 0.36 -0.44 -0.55 8.53 7.89 2z5fA1 ASN 63 HA -0.02 0.18 0.84 -0.75 4.76 5.01 2z5fA1 ASN 63 HB2 -0.03 0.12 0.06 -0.04 2.88 2.99 2z5fA1 ASN 63 HB3 -0.03 -0.17 0.18 -0.04 2.79 2.72 2z5fA1 ASN 63 HD21 -0.01 0.01 -0.11 -0.04 7.03 6.87 2z5fA1 ASN 63 HD22 -0.01 0.24 -0.08 -0.04 7.74 7.85 2z5fA1 ASP 64 H -0.01 0.49 -0.37 -0.55 8.40 7.95 2z5fA1 ASP 64 HA -0.01 0.09 0.31 -0.75 4.63 4.26 2z5fA1 ASP 64 HB2 -0.02 0.03 0.03 -0.04 2.71 2.72 2z5fA1 ASP 64 HB3 -0.01 -0.10 0.17 -0.04 2.70 2.72 2z5fA1 GLY 65 H -0.03 0.79 -0.18 -0.55 8.43 8.47 2z5fA1 GLY 65 HA2 -0.05 -0.03 0.15 -0.51 4.01 3.57 2z5fA1 GLY 65 HA3 -0.03 -0.02 0.30 -0.51 4.01 3.76 2z5fA1 ASP 66 H -0.04 0.52 -0.50 -0.55 8.40 7.83 2z5fA1 ASP 66 HA -0.05 0.01 0.71 -0.75 4.63 4.55 2z5fA1 ASP 66 HB2 -0.03 0.10 0.08 -0.04 2.71 2.81 2z5fA1 ASP 66 HB3 -0.04 0.16 0.19 -0.04 2.70 2.97 2z5fA1 ILE 67 H -0.07 0.20 0.18 -0.55 8.25 8.00 2z5fA1 ILE 67 HA -0.22 0.12 0.16 -0.75 4.18 3.48 2z5fA1 ILE 67 HB -0.06 -0.04 0.12 -0.04 1.89 1.87 2z5fA1 ILE 67 HG12 -0.56 0.02 -0.06 -0.04 1.49 0.85 2z5fA1 ILE 67 HG13 -0.18 0.13 -0.05 -0.04 1.21 1.07 2z5fA1 ILE 67 HG23 -0.02 0.01 -0.18 -0.04 0.93 0.70 2z5fA1 ILE 67 HD13 0.01 0.00 -0.00 -0.04 0.88 0.85 2z5fA1 GLU 68 H -0.05 0.08 -0.04 -0.55 8.60 8.04 2z5fA1 GLU 68 HA -0.04 0.11 0.43 -0.75 4.29 4.03 2z5fA1 GLU 68 HB2 -0.03 -0.02 0.02 -0.04 2.09 2.01 2z5fA1 GLU 68 HB3 -0.03 0.07 -0.04 -0.04 1.99 1.95 2z5fA1 GLU 68 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.25 2z5fA1 GLU 68 HG3 -0.02 0.03 0.00 -0.04 2.34 2.31 2z5fA1 LYS 69 H -0.05 0.10 -0.47 -0.55 8.42 7.45 2z5fA1 LYS 69 HA -0.04 0.07 0.46 -0.75 4.32 4.07 2z5fA1 LYS 69 HB2 -0.04 -0.04 0.11 -0.04 1.87 1.86 2z5fA1 LYS 69 HB3 -0.04 0.10 -0.03 -0.04 1.79 1.78 2z5fA1 LYS 69 HG2 -0.02 0.08 0.02 -0.04 1.46 1.49 2z5fA1 LYS 69 HG3 -0.03 -0.02 0.07 -0.04 1.46 1.45 2z5fA1 LYS 69 HD2 -0.02 -0.01 0.00 -0.04 1.69 1.62 2z5fA1 LYS 69 HD3 -0.03 -0.12 -0.01 -0.04 1.68 1.49 2z5fA1 LYS 69 HE2 -0.02 0.03 0.06 -0.04 2.99 3.02 2z5fA1 LYS 69 HE3 -0.02 0.07 0.04 -0.04 2.99 3.04 2z5fA1 CYS 70 H -0.07 0.33 -0.19 -0.55 8.50 8.03 2z5fA1 CYS 70 HA -0.03 0.07 0.35 -0.75 4.58 4.21 2z5fA1 CYS 70 HB2 -0.12 0.06 0.06 -0.04 2.97 2.93 2z5fA1 CYS 70 HB3 0.02 -0.06 0.05 -0.04 2.97 2.94 2z5fA1 LYS 71 H -0.05 0.29 -1.02 -0.55 8.42 7.09 2z5fA1 LYS 71 HA -0.10 0.13 0.75 -0.75 4.32 4.35 2z5fA1 LYS 71 HB2 -0.05 0.08 0.09 -0.04 1.87 1.95 2z5fA1 LYS 71 HB3 -0.08 -0.08 0.13 -0.04 1.79 1.71 2z5fA1 LYS 71 HG2 -0.03 -0.04 -0.12 -0.04 1.46 1.23 2z5fA1 LYS 71 HG3 -0.02 0.24 -0.21 -0.04 1.46 1.43 2z5fA1 LYS 71 HD2 0.01 -0.04 -0.12 -0.04 1.69 1.50 2z5fA1 LYS 71 HD3 -0.02 -0.09 -0.20 -0.04 1.68 1.34 2z5fA1 LYS 71 HE2 -0.05 0.05 -0.01 -0.04 2.99 2.94 2z5fA1 LYS 71 HE3 -0.05 -0.02 -0.02 -0.04 2.99 2.85 2z5fA1 ARG 72 H -0.06 0.45 -0.19 -0.55 8.46 8.11 2z5fA1 ARG 72 HA -0.06 0.01 0.42 -0.75 4.34 3.95 2z5fA1 ARG 72 HB2 -0.04 -0.07 0.10 -0.04 1.90 1.85 2z5fA1 ARG 72 HB3 -0.04 0.07 0.18 -0.04 1.80 1.97 2z5fA1 ARG 72 HG2 -0.05 -0.01 -0.02 -0.04 1.67 1.56 2z5fA1 ARG 72 HG3 -0.04 -0.06 -0.33 -0.04 1.67 1.20 2z5fA1 ARG 72 HD2 -0.02 -0.06 -0.02 -0.04 3.22 3.08 2z5fA1 ARG 72 HD3 -0.03 0.08 0.04 -0.04 3.22 3.27 2z5fA1 GLY 73 H -0.12 0.24 -0.27 -0.55 8.43 7.73 2z5fA1 GLY 73 HA2 -0.18 0.07 0.20 -0.51 4.01 3.59 2z5fA1 GLY 73 HA3 -0.07 0.06 0.39 -0.51 4.01 3.88 2z5fA1 PHE 74 H 0.05 0.11 0.12 -0.55 8.34 8.06 2z5fA1 PHE 74 HA -0.25 0.21 0.83 -0.75 4.62 4.65 2z5fA1 PHE 74 HB2 -0.32 -0.03 0.11 -0.04 3.15 2.86 2z5fA1 PHE 74 HB3 -0.92 -0.05 0.16 -0.04 3.06 2.21 2z5fA1 PHE 74 HD2 -0.33 -0.00 0.12 -0.04 7.28 7.03 2z5fA1 PHE 74 HE2 -0.06 0.06 -0.04 -0.04 7.38 7.30 2z5fA1 PHE 74 HZ -0.03 0.01 -0.04 -0.04 7.32 7.22 2z5fA1 ILE 75 H -0.16 0.70 0.34 -0.55 8.25 8.57 2z5fA1 ILE 75 HA -0.05 0.09 0.37 -0.75 4.18 3.83 2z5fA1 ILE 75 HB -0.13 0.10 0.21 -0.04 1.89 2.03 2z5fA1 ILE 75 HG12 0.00 -0.05 0.02 -0.04 1.49 1.43 2z5fA1 ILE 75 HG13 0.00 0.04 -0.06 -0.04 1.21 1.15 2z5fA1 ILE 75 HG23 -0.46 0.01 0.05 -0.04 0.93 0.49 2z5fA1 ILE 75 HD13 0.01 -0.00 -0.06 -0.04 0.88 0.79 2z5fA1 THR 76 H -0.06 0.04 -0.31 -0.55 8.28 7.40 2z5fA1 THR 76 HA 0.07 0.12 0.20 -0.75 4.39 4.02 2z5fA1 THR 76 HB 0.12 0.04 -0.02 -0.04 4.32 4.42 2z5fA1 THR 76 HG23 0.22 -0.01 -0.04 -0.04 1.22 1.34 2z5fA1 GLU 77 H 0.03 0.24 -0.47 -0.55 8.60 7.85 2z5fA1 GLU 77 HA 0.03 0.17 0.80 -0.75 4.29 4.53 2z5fA1 GLU 77 HB2 0.05 -0.04 0.06 -0.04 2.09 2.12 2z5fA1 GLU 77 HB3 0.03 0.08 -0.05 -0.04 1.99 2.00 2z5fA1 GLU 77 HG2 0.06 0.02 -0.02 -0.04 2.34 2.36 2z5fA1 GLU 77 HG3 0.05 0.06 -0.07 -0.04 2.34 2.34 2z5fA1 LYS 78 H -0.01 0.39 -0.07 -0.55 8.42 8.18 2z5fA1 LYS 78 HA -0.00 0.10 0.40 -0.75 4.32 4.07 2z5fA1 LYS 78 HB2 -0.02 -0.06 -0.01 -0.04 1.87 1.74 2z5fA1 LYS 78 HB3 -0.01 0.01 -0.06 -0.04 1.79 1.69 2z5fA1 LYS 78 HG2 -0.03 -0.00 -0.15 -0.04 1.46 1.24 2z5fA1 LYS 78 HG3 -0.04 0.05 -0.32 -0.04 1.46 1.11 2z5fA1 LYS 78 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.53 2z5fA1 LYS 78 HD3 -0.06 -0.09 -0.13 -0.04 1.68 1.36 2z5fA1 LYS 78 HE2 -0.07 0.03 -0.14 -0.04 2.99 2.77 2z5fA1 LYS 78 HE3 -0.02 -0.07 -0.11 -0.04 2.99 2.75 2z5fA1 VAL 79 H 0.00 0.50 -0.21 -0.55 8.24 7.98 2z5fA1 VAL 79 HA 0.00 0.37 0.74 -0.75 4.13 4.49 2z5fA1 VAL 79 HB 0.01 -0.10 0.06 -0.04 2.12 2.05 2z5fA1 VAL 79 HG13 -0.01 -0.03 -0.21 -0.04 0.97 0.67 2z5fA1 VAL 79 HG23 0.01 -0.00 -0.23 -0.04 0.95 0.68 2z5fA1 PRO 80 HA 0.00 0.01 0.48 -0.51 4.44 4.42 2z5fA1 PRO 80 HB2 -0.04 -0.04 -0.03 -0.04 2.28 2.12 2z5fA1 PRO 80 HB3 -0.02 -0.02 0.12 -0.04 2.02 2.05 2z5fA1 PRO 80 HG2 0.01 0.02 -0.11 -0.04 2.03 1.90 2z5fA1 PRO 80 HG3 0.01 0.15 -0.07 -0.04 2.03 2.07 2z5fA1 PRO 80 HD2 0.00 0.21 0.10 -0.04 3.68 3.96 2z5fA1 PRO 80 HD3 0.01 0.27 -0.66 -0.04 3.65 3.23 2z5fA1 MET 81 H -0.03 0.12 0.17 -0.55 8.47 8.19 2z5fA1 MET 81 HA -0.13 0.26 0.75 -0.75 4.52 4.65 2z5fA1 MET 81 HB2 -0.05 0.05 0.07 -0.04 2.15 2.17 2z5fA1 MET 81 HB3 -0.09 -0.05 0.17 -0.04 2.03 2.03 2z5fA1 MET 81 HG2 -0.16 -0.18 -0.16 -0.04 2.63 2.09 2z5fA1 MET 81 HG3 -0.22 0.02 -0.11 -0.04 2.56 2.21 2z5fA1 MET 81 HE3 -0.02 0.01 -0.04 -0.04 2.10 2.02 2z5fA1 LEU 82 H -0.17 0.75 0.26 -0.55 8.37 8.67 2z5fA1 LEU 82 HA -0.26 0.06 0.23 -0.75 4.35 3.63 2z5fA1 LEU 82 HB2 -0.22 0.10 0.06 -0.04 1.64 1.54 2z5fA1 LEU 82 HB3 -0.16 -0.10 0.18 -0.04 1.64 1.52 2z5fA1 LEU 82 HG -0.26 -0.03 -0.27 -0.04 1.64 1.04 2z5fA1 LEU 82 HD13 -0.70 0.01 -0.03 -0.04 0.93 0.17 2z5fA1 LEU 82 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 2z5fA1 GLU 83 H -0.16 0.03 -0.17 -0.55 8.60 7.76 2z5fA1 GLU 83 HA -0.26 0.17 0.36 -0.75 4.29 3.80 2z5fA1 GLU 83 HB2 -0.01 0.10 0.13 -0.04 2.09 2.27 2z5fA1 GLU 83 HB3 -0.07 0.01 0.04 -0.04 1.99 1.92 2z5fA1 GLU 83 HG2 -0.03 0.02 -0.18 -0.04 2.34 2.10 2z5fA1 GLU 83 HG3 0.42 0.03 -0.03 -0.04 2.34 2.71 2z5fA1 MET 84 H -0.28 0.39 -0.40 -0.55 8.47 7.63 2z5fA1 MET 84 HA -1.32 0.04 0.45 -0.75 4.52 2.94 2z5fA1 MET 84 HB2 -0.32 -0.08 0.06 -0.04 2.15 1.77 2z5fA1 MET 84 HB3 -0.18 0.07 0.16 -0.04 2.03 2.04 2z5fA1 MET 84 HG2 -0.16 -0.00 -0.05 -0.04 2.63 2.38 2z5fA1 MET 84 HG3 0.00 -0.02 -0.04 -0.04 2.56 2.46 2z5fA1 MET 84 HE3 0.01 -0.01 -0.12 -0.04 2.10 1.93 2z5fA1 THR 85 H -0.18 0.28 0.17 -0.55 8.28 8.00 2z5fA1 THR 85 HA 0.01 0.01 0.67 -0.75 4.39 4.33 2z5fA1 THR 85 HB 0.13 0.05 -0.04 -0.04 4.32 4.42 2z5fA1 THR 85 HG23 0.03 -0.01 0.03 -0.04 1.22 1.23 2z5fA1 LEU 86 H 0.07 0.19 -0.15 -0.55 8.37 7.93 2z5fA1 LEU 86 HA 0.12 0.17 0.53 -0.75 4.35 4.42 2z5fA1 LEU 86 HB2 0.08 -0.04 0.09 -0.04 1.64 1.72 2z5fA1 LEU 86 HB3 0.08 0.01 0.11 -0.04 1.64 1.80 2z5fA1 LEU 86 HG 0.23 0.03 -0.40 -0.04 1.64 1.47 2z5fA1 LEU 86 HD13 0.10 0.00 -0.12 -0.04 0.93 0.87 2z5fA1 LEU 86 HD23 0.12 0.01 0.01 -0.04 0.89 0.99 2z5fA1 PRO 87 HA 0.04 0.10 0.32 -0.51 4.44 4.39 2z5fA1 PRO 87 HB2 0.04 0.05 0.03 -0.04 2.28 2.36 2z5fA1 PRO 87 HB3 0.04 0.03 0.11 -0.04 2.02 2.17 2z5fA1 PRO 87 HG2 0.05 0.04 0.06 -0.04 2.03 2.13 2z5fA1 PRO 87 HG3 0.06 0.07 0.05 -0.04 2.03 2.17 2z5fA1 PRO 87 HD2 0.08 0.14 0.08 -0.04 3.68 3.94 2z5fA1 PRO 87 HD3 0.09 0.13 -0.01 -0.04 3.65 3.82 2z5fA1 GLY 88 H 0.03 0.14 0.12 -0.55 8.43 8.17 2z5fA1 GLY 88 HA2 0.02 0.01 0.37 -0.51 4.01 3.90 2z5fA1 GLY 88 HA3 0.02 0.10 0.53 -0.51 4.01 4.15 2z5fA1 LEU 89 H 0.03 0.42 -0.77 -0.55 8.37 7.50 2z5fA1 LEU 89 HA 0.02 0.13 0.83 -0.75 4.35 4.57 2z5fA1 LEU 89 HB2 0.03 0.02 -0.01 -0.04 1.64 1.64 2z5fA1 LEU 89 HB3 0.04 0.04 0.02 -0.04 1.64 1.69 2z5fA1 LEU 89 HG 0.01 -0.03 -0.02 -0.04 1.64 1.57 2z5fA1 LEU 89 HD13 0.01 -0.01 0.06 -0.04 0.93 0.95 2z5fA1 LEU 89 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.79 2z5fA1 ARG 90 H 0.03 0.47 0.10 -0.55 8.46 8.51 2z5fA1 ARG 90 HA 0.02 0.12 0.71 -0.75 4.34 4.43 2z5fA1 ARG 90 HB2 0.05 -0.08 -0.10 -0.04 1.90 1.72 2z5fA1 ARG 90 HB3 0.04 0.16 -0.10 -0.04 1.80 1.85 2z5fA1 ARG 90 HG2 0.01 0.26 -0.41 -0.04 1.67 1.48 2z5fA1 ARG 90 HG3 0.03 -0.07 -0.16 -0.04 1.67 1.43 2z5fA1 ARG 90 HD2 0.03 -0.05 -0.06 -0.04 3.22 3.10 2z5fA1 ARG 90 HD3 0.03 0.00 0.02 -0.04 3.22 3.23 2z5fA1 THR 91 H 0.03 0.14 0.06 -0.55 8.28 7.96 2z5fA1 THR 91 HA 0.02 -0.01 0.49 -0.75 4.39 4.14 2z5fA1 THR 91 HB 0.03 0.03 0.02 -0.04 4.32 4.36 2z5fA1 THR 91 HG23 0.02 0.06 -0.09 -0.04 1.22 1.17 2z5fA1 SER 92 H 0.01 0.04 0.16 -0.55 8.46 8.13 2z5fA1 SER 92 HA -0.01 0.14 0.54 -0.75 4.49 4.41 2z5fA1 SER 92 HB2 -0.03 0.23 0.26 -0.04 3.95 4.37 2z5fA1 SER 92 HB3 0.01 -0.02 0.19 -0.04 3.93 4.07 2z5fA1 GLY 93 H -0.09 0.67 0.26 -0.55 8.43 8.72 2z5fA1 GLY 93 HA2 -0.04 0.04 0.40 -0.51 4.01 3.90 2z5fA1 GLY 93 HA3 -0.11 0.36 0.33 -0.51 4.01 4.08 2z5fA1 ILE 94 H -0.09 0.17 -0.06 -0.55 8.25 7.72 2z5fA1 ILE 94 HA -0.09 0.11 0.39 -0.75 4.18 3.85 2z5fA1 ILE 94 HB -0.03 -0.08 0.04 -0.04 1.89 1.79 2z5fA1 ILE 94 HG12 -0.40 0.01 0.01 -0.04 1.49 1.07 2z5fA1 ILE 94 HG13 -0.30 0.18 0.08 -0.04 1.21 1.13 2z5fA1 ILE 94 HG23 0.22 0.01 -0.18 -0.04 0.93 0.94 2z5fA1 ILE 94 HD13 -0.12 -0.00 -0.13 -0.04 0.88 0.58 2z5fA1 GLU 95 H 0.00 0.00 -0.32 -0.55 8.60 7.75 2z5fA1 GLU 95 HA 0.04 0.08 0.47 -0.75 4.29 4.13 2z5fA1 GLU 95 HB2 0.01 -0.10 0.12 -0.04 2.09 2.09 2z5fA1 GLU 95 HB3 0.02 0.05 -0.08 -0.04 1.99 1.95 2z5fA1 GLU 95 HG2 0.02 0.05 0.02 -0.04 2.34 2.40 2z5fA1 GLU 95 HG3 0.03 0.01 0.01 -0.04 2.34 2.35 2z5fA1 GLN 96 H 0.01 0.60 -0.15 -0.55 8.47 8.38 2z5fA1 GLN 96 HA 0.03 0.01 0.50 -0.75 4.36 4.14 2z5fA1 GLN 96 HB2 0.02 -0.08 0.03 -0.04 2.15 2.07 2z5fA1 GLN 96 HB3 0.01 0.09 0.11 -0.04 2.02 2.19 2z5fA1 GLN 96 HG2 0.02 0.09 0.08 -0.04 2.40 2.55 2z5fA1 GLN 96 HG3 0.02 0.11 -0.13 -0.04 2.39 2.35 2z5fA1 GLN 96 HE21 0.03 -0.06 -0.02 -0.04 6.97 6.87 2z5fA1 GLN 96 HE22 0.02 0.16 -0.02 -0.04 7.69 7.81 2z5fA1 LEU 97 H 0.03 0.55 -0.14 -0.55 8.37 8.26 2z5fA1 LEU 97 HA 0.07 0.09 0.36 -0.75 4.35 4.12 2z5fA1 LEU 97 HB2 0.12 -0.00 0.14 -0.04 1.64 1.86 2z5fA1 LEU 97 HB3 0.25 -0.02 -0.02 -0.04 1.64 1.81 2z5fA1 LEU 97 HG -0.03 0.11 -0.00 -0.04 1.64 1.68 2z5fA1 LEU 97 HD13 -0.25 -0.05 -0.15 -0.04 0.93 0.45 2z5fA1 LEU 97 HD23 0.06 0.01 -0.01 -0.04 0.89 0.91 2z5fA1 GLU 98 H 0.11 0.41 -0.21 -0.55 8.60 8.37 2z5fA1 GLU 98 HA 0.06 0.06 0.51 -0.75 4.29 4.16 2z5fA1 GLU 98 HB2 0.05 0.05 0.08 -0.04 2.09 2.22 2z5fA1 GLU 98 HB3 0.02 -0.08 0.14 -0.04 1.99 2.04 2z5fA1 GLU 98 HG2 0.19 0.23 0.15 -0.04 2.34 2.87 2z5fA1 GLU 98 HG3 0.09 -0.14 0.02 -0.04 2.34 2.27 2z5fA1 LYS 99 H 0.04 0.44 -0.57 -0.55 8.42 7.77 2z5fA1 LYS 99 HA 0.02 0.10 0.89 -0.75 4.32 4.57 2z5fA1 LYS 99 HB2 0.02 0.07 -0.02 -0.04 1.87 1.90 2z5fA1 LYS 99 HB3 0.02 -0.12 0.13 -0.04 1.79 1.77 2z5fA1 LYS 99 HG2 0.02 -0.06 -0.14 -0.04 1.46 1.25 2z5fA1 LYS 99 HG3 0.03 0.16 0.11 -0.04 1.46 1.72 2z5fA1 LYS 99 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2z5fA1 LYS 99 HD3 0.02 -0.10 -0.08 -0.04 1.68 1.48 2z5fA1 LYS 99 HE2 0.02 0.04 -0.03 -0.04 2.99 2.99 2z5fA1 LYS 99 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 2z5fA1 ASN 100 H 0.04 0.36 -0.17 -0.55 8.53 8.21 2z5fA1 ASN 100 HA 0.02 0.09 0.60 -0.75 4.76 4.71 2z5fA1 ASN 100 HB2 0.05 0.07 0.20 -0.04 2.88 3.16 2z5fA1 ASN 100 HB3 0.03 0.06 -0.03 -0.04 2.79 2.82 2z5fA1 ASN 100 HD21 0.02 0.21 -0.06 -0.04 7.03 7.16 2z5fA1 ASN 100 HD22 0.03 -0.06 -0.03 -0.04 7.74 7.64 2z5fA1 PRO 101 HA 0.01 0.01 0.54 -0.51 4.44 4.48 2z5fA1 PRO 101 HB2 0.00 0.12 -0.04 -0.04 2.28 2.33 2z5fA1 PRO 101 HB3 0.00 -0.04 0.08 -0.04 2.02 2.02 2z5fA1 PRO 101 HG2 0.00 0.07 0.02 -0.04 2.03 2.09 2z5fA1 PRO 101 HG3 0.00 -0.03 0.05 -0.04 2.03 2.01 2z5fA1 PRO 101 HD2 0.01 0.10 0.21 -0.04 3.68 3.96 2z5fA1 PRO 101 HD3 0.01 0.14 0.20 -0.04 3.65 3.96 2z5fA1 SER 102 H 0.01 0.04 0.12 -0.55 8.46 8.08 2z5fA1 SER 102 HA 0.02 -0.01 0.47 -0.75 4.49 4.22 2z5fA1 SER 102 HB2 0.00 -0.02 0.09 -0.04 3.95 3.98 2z5fA1 SER 102 HB3 0.01 -0.00 0.01 -0.04 3.93 3.91 2z5fA1 PRO 103 HA 0.02 -0.10 0.30 -0.51 4.44 4.14 2z5fA1 PRO 103 HB2 0.01 0.11 -0.04 -0.04 2.28 2.31 2z5fA1 PRO 103 HB3 0.00 0.02 0.10 -0.04 2.02 2.09 2z5fA1 PRO 103 HG2 0.00 0.01 0.08 -0.04 2.03 2.08 2z5fA1 PRO 103 HG3 -0.00 0.01 0.09 -0.04 2.03 2.09 2z5fA1 PRO 103 HD2 0.00 0.08 0.11 -0.04 3.68 3.83 2z5fA1 PRO 103 HD3 -0.00 0.06 0.37 -0.04 3.65 4.04 2z5fA1 ARG 104 H 0.05 0.02 0.06 -0.55 8.46 8.04 2z5fA1 ARG 104 HA 0.03 0.26 0.68 -0.75 4.34 4.57 2z5fA1 ARG 104 HB2 0.10 -0.17 0.08 -0.04 1.90 1.87 2z5fA1 ARG 104 HB3 0.08 0.09 -0.06 -0.04 1.80 1.87 2z5fA1 ARG 104 HG2 0.05 0.19 -0.30 -0.04 1.67 1.57 2z5fA1 ARG 104 HG3 0.05 -0.19 -0.21 -0.04 1.67 1.28 2z5fA1 ARG 104 HD2 0.11 0.01 0.01 -0.04 3.22 3.32 2z5fA1 ARG 104 HD3 0.07 0.18 -0.04 -0.04 3.22 3.39 2z5fA1 ILE 105 H 0.02 0.27 0.21 -0.55 8.25 8.20 2z5fA1 ILE 105 HA 0.01 0.26 0.87 -0.75 4.18 4.57 2z5fA1 ILE 105 HB 0.00 0.02 0.12 -0.04 1.89 1.99 2z5fA1 ILE 105 HG12 0.01 0.01 -0.07 -0.04 1.49 1.40 2z5fA1 ILE 105 HG13 0.01 0.10 0.02 -0.04 1.21 1.30 2z5fA1 ILE 105 HG23 -0.01 -0.03 -0.09 -0.04 0.93 0.76 2z5fA1 ILE 105 HD13 0.01 -0.02 -0.15 -0.04 0.88 0.68 2z5fA1 VAL 106 H -0.04 0.68 0.25 -0.55 8.24 8.59 2z5fA1 VAL 106 HA -0.04 0.24 0.82 -0.75 4.13 4.39 2z5fA1 VAL 106 HB -0.17 -0.08 0.02 -0.04 2.12 1.85 2z5fA1 VAL 106 HG13 -0.10 -0.01 -0.13 -0.04 0.97 0.69 2z5fA1 VAL 106 HG23 0.18 0.03 -0.24 -0.04 0.95 0.89 2z5fA1 LYS 107 H -0.09 0.68 0.13 -0.55 8.42 8.58 2z5fA1 LYS 107 HA -0.15 0.30 0.99 -0.75 4.32 4.70 2z5fA1 LYS 107 HB2 -0.08 -0.01 -0.01 -0.04 1.87 1.73 2z5fA1 LYS 107 HB3 -0.08 0.20 -0.14 -0.04 1.79 1.74 2z5fA1 LYS 107 HG2 -0.25 -0.17 -0.40 -0.04 1.46 0.60 2z5fA1 LYS 107 HG3 -0.28 0.01 -0.10 -0.04 1.46 1.04 2z5fA1 LYS 107 HD2 -0.01 -0.03 -0.15 -0.04 1.69 1.47 2z5fA1 LYS 107 HD3 -0.01 0.09 -0.12 -0.04 1.68 1.59 2z5fA1 LYS 107 HE2 -0.23 -0.05 -0.12 -0.04 2.99 2.54 2z5fA1 LYS 107 HE3 -0.22 -0.06 -0.13 -0.04 2.99 2.53 2z5fA1 THR 108 H -0.25 0.73 0.42 -0.55 8.28 8.63 2z5fA1 THR 108 HA -0.23 -0.04 0.52 -0.75 4.39 3.88 2z5fA1 THR 108 HB -0.16 0.12 -0.10 -0.04 4.32 4.13 2z5fA1 THR 108 HG23 -0.11 0.05 -0.16 -0.04 1.22 0.95 2z5fA1 HIS 109 H -0.15 0.10 0.11 -0.55 8.41 7.93 2z5fA1 HIS 109 HA -0.19 0.45 1.03 -0.75 4.63 5.17 2z5fA1 HIS 109 HB2 -1.52 -0.04 0.06 -0.04 3.26 1.72 2z5fA1 HIS 109 HB3 -0.90 0.03 0.26 -0.04 3.20 2.54 2z5fA1 HIS 109 HD2 -0.17 0.02 -0.05 -0.04 6.97 6.72 2z5fA1 HIS 109 HE1 -0.17 -0.17 -0.12 -0.04 7.75 7.24 2z5fA1 LEU 110 H 0.17 -0.02 -0.12 -0.55 8.37 7.86 2z5fA1 LEU 110 HA 0.49 0.10 0.25 -0.75 4.35 4.43 2z5fA1 LEU 110 HB2 0.25 -0.02 -0.07 -0.04 1.64 1.76 2z5fA1 LEU 110 HB3 0.28 0.12 -0.19 -0.04 1.64 1.80 2z5fA1 LEU 110 HG 0.28 -0.21 0.00 -0.04 1.64 1.68 2z5fA1 LEU 110 HD13 0.11 0.06 -0.17 -0.04 0.93 0.90 2z5fA1 LEU 110 HD23 0.64 0.01 -0.05 -0.04 0.89 1.45 2z5fA1 PRO 111 HA -0.09 0.10 0.54 -0.51 4.44 4.48 2z5fA1 PRO 111 HB2 -0.15 -0.14 0.00 -0.04 2.28 1.96 2z5fA1 PRO 111 HB3 -0.11 0.08 0.11 -0.04 2.02 2.05 2z5fA1 PRO 111 HG2 -1.06 0.04 0.05 -0.04 2.03 1.01 2z5fA1 PRO 111 HG3 -0.62 0.21 0.10 -0.04 2.03 1.67 2z5fA1 PRO 111 HD2 0.11 0.05 0.16 -0.04 3.68 3.96 2z5fA1 PRO 111 HD3 0.33 0.21 0.21 -0.04 3.65 4.36 2z5fA1 THR 112 H -0.50 0.17 0.08 -0.55 8.28 7.48 2z5fA1 THR 112 HA -0.48 0.11 0.33 -0.75 4.39 3.60 2z5fA1 THR 112 HB -0.41 0.07 -0.04 -0.04 4.32 3.90 2z5fA1 THR 112 HG23 -1.42 0.06 -0.13 -0.04 1.22 -0.31 2z5fA1 ASP 113 H -0.03 0.00 -0.37 -0.55 8.40 7.46 2z5fA1 ASP 113 HA 0.03 0.18 0.41 -0.75 4.63 4.51 2z5fA1 ASP 113 HB2 0.03 0.03 0.07 -0.04 2.71 2.80 2z5fA1 ASP 113 HB3 -0.00 -0.01 0.00 -0.04 2.70 2.65 2z5fA1 LEU 114 H 0.07 0.19 -0.36 -0.55 8.37 7.73 2z5fA1 LEU 114 HA 0.16 0.19 0.87 -0.75 4.35 4.82 2z5fA1 LEU 114 HB2 0.20 0.00 0.00 -0.04 1.64 1.81 2z5fA1 LEU 114 HB3 0.52 -0.04 0.02 -0.04 1.64 2.11 2z5fA1 LEU 114 HG -0.00 -0.06 -0.09 -0.04 1.64 1.45 2z5fA1 LEU 114 HD13 0.06 0.01 -0.04 -0.04 0.93 0.91 2z5fA1 LEU 114 HD23 0.11 0.03 -0.15 -0.04 0.89 0.84 2z5fA1 LEU 115 H 0.14 0.26 -0.30 -0.55 8.37 7.93 2z5fA1 LEU 115 HA 0.13 -0.05 0.29 -0.75 4.35 3.97 2z5fA1 LEU 115 HB2 0.06 -0.02 -0.06 -0.04 1.64 1.59 2z5fA1 LEU 115 HB3 -0.05 0.05 -0.08 -0.04 1.64 1.52 2z5fA1 LEU 115 HG 0.01 0.11 -0.08 -0.04 1.64 1.64 2z5fA1 LEU 115 HD13 -0.05 -0.03 -0.11 -0.04 0.93 0.70 2z5fA1 LEU 115 HD23 -1.00 -0.02 -0.14 -0.04 0.89 -0.31 2z5fA1 PRO 116 HA 0.06 0.13 0.59 -0.51 4.44 4.71 2z5fA1 PRO 116 HB2 -0.02 -0.13 0.07 -0.04 2.28 2.17 2z5fA1 PRO 116 HB3 -0.00 0.18 0.13 -0.04 2.02 2.29 2z5fA1 PRO 116 HG2 0.16 -0.06 0.06 -0.04 2.03 2.16 2z5fA1 PRO 116 HG3 -0.01 0.26 0.04 -0.04 2.03 2.28 2z5fA1 PRO 116 HD2 0.28 0.00 0.14 -0.04 3.68 4.06 2z5fA1 PRO 116 HD3 0.09 0.12 0.14 -0.04 3.65 3.95 2z5fA1 LYS 117 H 0.07 0.25 0.23 -0.55 8.42 8.41 2z5fA1 LYS 117 HA 0.34 0.10 0.38 -0.75 4.32 4.39 2z5fA1 LYS 117 HB2 0.08 0.01 0.07 -0.04 1.87 1.98 2z5fA1 LYS 117 HB3 0.19 -0.02 0.07 -0.04 1.79 1.99 2z5fA1 LYS 117 HG2 0.13 0.08 0.13 -0.04 1.46 1.76 2z5fA1 LYS 117 HG3 0.10 -0.03 0.05 -0.04 1.46 1.54 2z5fA1 LYS 117 HD2 0.14 -0.06 0.02 -0.04 1.69 1.75 2z5fA1 LYS 117 HD3 0.43 0.03 0.00 -0.04 1.68 2.10 2z5fA1 LYS 117 HE2 0.15 0.19 -0.03 -0.04 2.99 3.26 2z5fA1 LYS 117 HE3 0.08 -0.07 0.02 -0.04 2.99 2.97 2z5fA1 SER 118 H -0.08 0.20 -0.22 -0.55 8.46 7.81 2z5fA1 SER 118 HA -0.05 0.03 0.43 -0.75 4.49 4.14 2z5fA1 SER 118 HB2 -0.23 0.12 0.13 -0.04 3.95 3.93 2z5fA1 SER 118 HB3 -0.39 0.06 0.01 -0.04 3.93 3.57 2z5fA1 PHE 119 H -0.11 0.44 -0.45 -0.55 8.34 7.67 2z5fA1 PHE 119 HA -0.04 0.06 0.25 -0.75 4.62 4.13 2z5fA1 PHE 119 HB2 -0.52 0.15 0.01 -0.04 3.15 2.75 2z5fA1 PHE 119 HB3 -0.32 0.04 -0.11 -0.04 3.06 2.63 2z5fA1 PHE 119 HD2 -0.08 0.11 -0.05 -0.04 7.28 7.22 2z5fA1 PHE 119 HE2 0.02 -0.01 -0.09 -0.04 7.38 7.26 2z5fA1 PHE 119 HZ 0.01 -0.01 -0.12 -0.04 7.32 7.16 2z5fA1 TRP 120 H -0.21 0.18 -0.12 -0.55 7.97 7.27 2z5fA1 TRP 120 HA -0.08 0.11 0.53 -0.75 4.62 4.43 2z5fA1 TRP 120 HB2 -0.01 0.07 0.08 -0.04 3.23 3.33 2z5fA1 TRP 120 HB3 -0.05 0.00 0.04 -0.04 3.23 3.18 2z5fA1 TRP 120 HD1 -0.04 -0.06 0.04 -0.04 7.22 7.12 2z5fA1 TRP 120 HE1 -0.12 0.17 -0.06 -0.04 10.20 10.15 2z5fA1 TRP 120 HE3 -1.23 0.06 -0.04 -0.04 7.59 6.34 2z5fA1 TRP 120 HZ2 -0.57 -0.01 0.01 -0.04 7.44 6.83 2z5fA1 TRP 120 HZ3 -0.29 0.03 -0.13 -0.04 7.13 6.70 2z5fA1 TRP 120 HH2 -0.78 -0.06 -0.07 -0.04 7.19 6.23 2z5fA1 GLU 121 H 0.19 0.43 -0.22 -0.55 8.60 8.47 2z5fA1 GLU 121 HA 0.16 0.04 0.34 -0.75 4.29 4.06 2z5fA1 GLU 121 HB2 0.06 0.01 0.11 -0.04 2.09 2.22 2z5fA1 GLU 121 HB3 0.06 -0.05 0.03 -0.04 1.99 1.99 2z5fA1 GLU 121 HG2 0.09 -0.04 -0.02 -0.04 2.34 2.33 2z5fA1 GLU 121 HG3 0.16 0.10 -0.01 -0.04 2.34 2.55 2z5fA1 ASN 122 H 0.10 0.58 -0.16 -0.55 8.53 8.50 2z5fA1 ASN 122 HA 0.06 0.08 0.68 -0.75 4.76 4.82 2z5fA1 ASN 122 HB2 0.04 0.14 -0.02 -0.04 2.88 3.00 2z5fA1 ASN 122 HB3 0.06 -0.03 -0.04 -0.04 2.79 2.74 2z5fA1 ASN 122 HD21 -0.04 0.02 -0.11 -0.04 7.03 6.87 2z5fA1 ASN 122 HD22 -0.07 -0.09 -0.39 -0.04 7.74 7.15 2z5fA1 ASN 123 H 0.24 0.30 -0.67 -0.55 8.53 7.86 2z5fA1 ASN 123 HA 0.24 0.07 0.30 -0.75 4.76 4.62 2z5fA1 ASN 123 HB2 0.07 -0.02 -0.09 -0.04 2.88 2.80 2z5fA1 ASN 123 HB3 0.03 0.05 0.00 -0.04 2.79 2.83 2z5fA1 ASN 123 HD21 -0.11 -0.06 0.03 -0.04 7.03 6.85 2z5fA1 ASN 123 HD22 0.01 0.09 0.09 -0.04 7.74 7.89 2z5fA1 CYS 124 H 0.30 0.33 -0.16 -0.55 8.50 8.42 2z5fA1 CYS 124 HA 0.12 0.16 0.42 -0.75 4.58 4.52 2z5fA1 CYS 124 HB2 0.27 -0.13 0.02 -0.04 2.97 3.08 2z5fA1 CYS 124 HB3 0.19 0.16 0.00 -0.04 2.97 3.28 2z5fA1 LYS 125 H 0.04 0.17 0.27 -0.55 8.42 8.35 2z5fA1 LYS 125 HA 0.17 0.22 0.77 -0.75 4.32 4.73 2z5fA1 LYS 125 HB2 -0.04 0.02 0.17 -0.04 1.87 1.97 2z5fA1 LYS 125 HB3 -0.12 -0.08 0.01 -0.04 1.79 1.56 2z5fA1 LYS 125 HG2 -0.29 -0.01 0.11 -0.04 1.46 1.24 2z5fA1 LYS 125 HG3 -0.13 0.06 0.14 -0.04 1.46 1.50 2z5fA1 LYS 125 HD2 -0.24 -0.02 0.03 -0.04 1.69 1.42 2z5fA1 LYS 125 HD3 -0.77 -0.03 -0.03 -0.04 1.68 0.81 2z5fA1 LYS 125 HE2 -0.46 -0.03 0.07 -0.04 2.99 2.54 2z5fA1 LYS 125 HE3 -0.21 -0.05 0.04 -0.04 2.99 2.74 2z5fA1 MET 126 H 0.49 0.48 0.34 -0.55 8.47 9.23 2z5fA1 MET 126 HA 0.10 0.18 0.95 -0.75 4.52 4.98 2z5fA1 MET 126 HB2 0.31 -0.02 -0.01 -0.04 2.15 2.39 2z5fA1 MET 126 HB3 0.13 -0.09 -0.17 -0.04 2.03 1.85 2z5fA1 MET 126 HG2 0.04 -0.00 -0.29 -0.04 2.63 2.34 2z5fA1 MET 126 HG3 0.30 0.34 -0.43 -0.04 2.56 2.72 2z5fA1 MET 126 HE3 -0.59 0.03 -0.24 -0.04 2.10 1.26 2z5fA1 ILE 127 H -0.02 0.84 0.33 -0.55 8.25 8.85 2z5fA1 ILE 127 HA -0.18 0.20 0.97 -0.75 4.18 4.42 2z5fA1 ILE 127 HB -0.08 -0.00 0.20 -0.04 1.89 1.97 2z5fA1 ILE 127 HG12 -0.01 -0.07 -0.05 -0.04 1.49 1.32 2z5fA1 ILE 127 HG13 -0.11 0.04 -0.04 -0.04 1.21 1.05 2z5fA1 ILE 127 HG23 -0.17 -0.03 -0.15 -0.04 0.93 0.54 2z5fA1 ILE 127 HD13 0.19 0.00 -0.20 -0.04 0.88 0.84 2z5fA1 TYR 128 H -0.09 0.50 0.10 -0.55 8.29 8.25 2z5fA1 TYR 128 HA -0.48 0.34 1.01 -0.75 4.56 4.68 2z5fA1 TYR 128 HB2 -0.33 0.02 -0.07 -0.04 3.06 2.64 2z5fA1 TYR 128 HB3 -0.27 -0.05 0.00 -0.04 2.98 2.63 2z5fA1 TYR 128 HD2 -1.55 -0.04 -0.23 -0.04 7.15 5.29 2z5fA1 TYR 128 HE2 -0.46 -0.06 -0.25 -0.04 6.85 6.05 2z5fA1 LEU 129 H -0.83 0.58 0.25 -0.55 8.37 7.82 2z5fA1 LEU 129 HA -0.46 0.25 1.09 -0.75 4.35 4.49 2z5fA1 LEU 129 HB2 -0.25 0.02 -0.18 -0.04 1.64 1.19 2z5fA1 LEU 129 HB3 -0.27 -0.03 -0.07 -0.04 1.64 1.23 2z5fA1 LEU 129 HG -0.03 0.03 -0.34 -0.04 1.64 1.26 2z5fA1 LEU 129 HD13 -0.07 0.01 -0.36 -0.04 0.93 0.48 2z5fA1 LEU 129 HD23 -0.00 -0.05 -0.22 -0.04 0.89 0.57 2z5fA1 ALA 130 H -0.25 0.72 0.41 -0.55 8.40 8.73 2z5fA1 ALA 130 HA -0.01 0.18 1.05 -0.75 4.34 4.81 2z5fA1 ALA 130 HB3 0.31 0.01 -0.03 -0.04 1.41 1.67 2z5fA1 ARG 131 H 0.47 0.33 0.20 -0.55 8.46 8.91 2z5fA1 ARG 131 HA 0.48 -0.06 0.91 -0.75 4.34 4.92 2z5fA1 ARG 131 HB2 0.12 0.14 -0.07 -0.04 1.90 2.05 2z5fA1 ARG 131 HB3 0.10 0.08 -0.00 -0.04 1.80 1.94 2z5fA1 ARG 131 HG2 -0.08 -0.04 0.00 -0.04 1.67 1.51 2z5fA1 ARG 131 HG3 -0.18 -0.09 0.05 -0.04 1.67 1.41 2z5fA1 ARG 131 HD2 -0.57 0.01 -0.02 -0.04 3.22 2.59 2z5fA1 ARG 131 HD3 -0.24 0.11 -0.07 -0.04 3.22 2.97 2z5fA1 ASN 132 H 0.26 0.09 0.19 -0.55 8.53 8.52 2z5fA1 ASN 132 HA -0.25 0.12 0.30 -0.75 4.76 4.17 2z5fA1 ASN 132 HB2 -0.17 -0.00 0.02 -0.04 2.88 2.69 2z5fA1 ASN 132 HB3 0.18 0.26 0.15 -0.04 2.79 3.34 2z5fA1 ASN 132 HD21 0.02 -0.09 0.14 -0.04 7.03 7.06 2z5fA1 ASN 132 HD22 0.10 0.17 0.20 -0.04 7.74 8.17 2z5fA1 ALA 133 H -0.88 0.18 0.17 -0.55 8.40 7.32 2z5fA1 ALA 133 HA -1.37 0.16 0.32 -0.75 4.34 2.70 2z5fA1 ALA 133 HB3 -1.24 0.04 0.08 -0.04 1.41 0.25 2z5fA1 LYS 134 H -0.73 0.05 -0.21 -0.55 8.42 6.99 2z5fA1 LYS 134 HA -0.58 0.16 0.44 -0.75 4.32 3.58 2z5fA1 LYS 134 HB2 -1.76 -0.07 0.08 -0.04 1.87 0.08 2z5fA1 LYS 134 HB3 -1.96 0.05 0.00 -0.04 1.79 -0.16 2z5fA1 LYS 134 HG2 -2.11 0.07 -0.03 -0.04 1.46 -0.65 2z5fA1 LYS 134 HG3 -1.18 -0.07 0.02 -0.04 1.46 0.19 2z5fA1 LYS 134 HD2 -2.15 -0.02 -0.01 -0.04 1.69 -0.53 2z5fA1 LYS 134 HD3 -3.24 0.03 -0.04 -0.04 1.68 -1.61 2z5fA1 LYS 134 HE2 -0.99 0.02 -0.04 -0.04 2.99 1.94 2z5fA1 LYS 134 HE3 -0.78 -0.00 -0.04 -0.04 2.99 2.13 2z5fA1 ASP 135 H -0.38 0.09 -0.05 -0.55 8.40 7.51 2z5fA1 ASP 135 HA 0.00 0.00 0.54 -0.75 4.63 4.43 2z5fA1 ASP 135 HB2 -0.12 0.07 0.14 -0.04 2.71 2.77 2z5fA1 ASP 135 HB3 -0.12 0.13 0.06 -0.04 2.70 2.73 2z5fA1 VAL 136 H -0.26 0.35 -0.35 -0.55 8.24 7.43 2z5fA1 VAL 136 HA -0.08 0.11 0.36 -0.75 4.13 3.77 2z5fA1 VAL 136 HB -0.28 0.02 0.05 -0.04 2.12 1.88 2z5fA1 VAL 136 HG13 0.36 0.04 -0.15 -0.04 0.97 1.18 2z5fA1 VAL 136 HG23 0.03 0.05 -0.17 -0.04 0.95 0.82 2z5fA1 SER 137 H -0.39 0.46 -0.12 -0.55 8.46 7.87 2z5fA1 SER 137 HA -0.31 0.07 0.38 -0.75 4.49 3.88 2z5fA1 SER 137 HB2 -0.26 -0.03 0.04 -0.04 3.95 3.66 2z5fA1 SER 137 HB3 -1.65 0.04 0.12 -0.04 3.93 2.41 2z5fA1 VAL 138 H 0.06 0.35 -0.22 -0.55 8.24 7.88 2z5fA1 VAL 138 HA -0.09 0.05 0.43 -0.75 4.13 3.77 2z5fA1 VAL 138 HB -0.02 0.00 0.13 -0.04 2.12 2.20 2z5fA1 VAL 138 HG13 -0.39 0.01 -0.17 -0.04 0.97 0.39 2z5fA1 VAL 138 HG23 -0.26 -0.00 0.02 -0.04 0.95 0.67 2z5fA1 SER 139 H -0.01 0.56 -0.04 -0.55 8.46 8.42 2z5fA1 SER 139 HA -0.01 0.01 0.44 -0.75 4.49 4.17 2z5fA1 SER 139 HB2 -0.10 -0.05 0.16 -0.04 3.95 3.91 2z5fA1 SER 139 HB3 -0.07 0.13 0.19 -0.04 3.93 4.14 2z5fA1 TYR 140 H 0.20 0.68 -0.16 -0.55 8.29 8.47 2z5fA1 TYR 140 HA 0.05 -0.02 0.41 -0.75 4.56 4.24 2z5fA1 TYR 140 HB2 0.21 0.23 0.09 -0.04 3.06 3.55 2z5fA1 TYR 140 HB3 0.38 0.02 0.01 -0.04 2.98 3.35 2z5fA1 TYR 140 HD2 0.41 -0.04 0.00 -0.04 7.15 7.49 2z5fA1 TYR 140 HE2 0.19 0.06 -0.03 -0.04 6.85 7.03 2z5fA1 TYR 141 H 0.15 0.57 -0.11 -0.55 8.29 8.35 2z5fA1 TYR 141 HA -0.99 0.03 0.48 -0.75 4.56 3.33 2z5fA1 TYR 141 HB2 -0.24 -0.01 0.09 -0.04 3.06 2.86 2z5fA1 TYR 141 HB3 -0.19 0.08 0.19 -0.04 2.98 3.01 2z5fA1 TYR 141 HD2 -0.83 0.02 -0.07 -0.04 7.15 6.22 2z5fA1 TYR 141 HE2 -0.25 0.10 -0.26 -0.04 6.85 6.40 2z5fA1 HIS 142 H -0.00 0.50 -0.05 -0.55 8.41 8.31 2z5fA1 HIS 142 HA -0.40 0.05 0.58 -0.75 4.63 4.10 2z5fA1 HIS 142 HB2 -0.11 0.04 0.10 -0.04 3.26 3.25 2z5fA1 HIS 142 HB3 -0.11 0.02 0.02 -0.04 3.20 3.09 2z5fA1 HIS 142 HD2 -0.07 0.09 0.03 -0.04 6.97 6.98 2z5fA1 HIS 142 HE1 -1.26 -0.09 -0.03 -0.04 7.75 6.33 2z5fA1 PHE 143 H 0.15 0.45 -0.27 -0.55 8.34 8.12 2z5fA1 PHE 143 HA -0.08 0.02 0.47 -0.75 4.62 4.28 2z5fA1 PHE 143 HB2 -0.04 0.06 0.14 -0.04 3.15 3.27 2z5fA1 PHE 143 HB3 0.13 0.18 0.18 -0.04 3.06 3.50 2z5fA1 PHE 143 HD2 0.08 0.06 -0.05 -0.04 7.28 7.33 2z5fA1 PHE 143 HE2 0.19 -0.02 -0.04 -0.04 7.38 7.46 2z5fA1 PHE 143 HZ 0.10 -0.02 -0.04 -0.04 7.32 7.32 2z5fA1 ASP 144 H -0.09 0.53 -0.11 -0.55 8.40 8.19 2z5fA1 ASP 144 HA -0.24 0.02 0.57 -0.75 4.63 4.23 2z5fA1 ASP 144 HB2 -0.40 0.07 0.13 -0.04 2.71 2.47 2z5fA1 ASP 144 HB3 -0.24 0.15 0.06 -0.04 2.70 2.62 2z5fA1 LEU 145 H -0.38 0.26 -0.37 -0.55 8.37 7.33 2z5fA1 LEU 145 HA -0.24 0.01 0.56 -0.75 4.35 3.93 2z5fA1 LEU 145 HB2 -0.20 0.22 0.07 -0.04 1.64 1.69 2z5fA1 LEU 145 HB3 -0.12 -0.06 -0.06 -0.04 1.64 1.35 2z5fA1 LEU 145 HG -0.83 0.15 0.05 -0.04 1.64 0.98 2z5fA1 LEU 145 HD13 -0.31 -0.03 0.00 -0.04 0.93 0.55 2z5fA1 LEU 145 HD23 -0.44 -0.02 0.00 -0.04 0.89 0.39 2z5fA1 MET 146 H -0.22 0.29 -0.23 -0.55 8.47 7.77 2z5fA1 MET 146 HA -0.10 0.13 0.73 -0.75 4.52 4.53 2z5fA1 MET 146 HB2 -0.18 -0.13 -0.10 -0.04 2.15 1.71 2z5fA1 MET 146 HB3 -0.10 -0.12 0.06 -0.04 2.03 1.83 2z5fA1 MET 146 HG2 -0.09 0.06 -0.12 -0.04 2.63 2.44 2z5fA1 MET 146 HG3 -0.24 0.16 0.19 -0.04 2.56 2.64 2z5fA1 MET 146 HE3 -0.40 -0.03 -0.19 -0.04 2.10 1.45 2z5fA1 ASN 147 H -0.39 0.51 0.02 -0.55 8.53 8.12 2z5fA1 ASN 147 HA -0.25 0.25 0.88 -0.75 4.76 4.88 2z5fA1 ASN 147 HB2 -1.12 -0.01 0.11 -0.04 2.88 1.83 2z5fA1 ASN 147 HB3 -0.72 0.00 0.19 -0.04 2.79 2.22 2z5fA1 ASN 147 HD21 0.07 -0.06 -0.04 -0.04 7.03 6.96 2z5fA1 ASN 147 HD22 -0.29 -0.00 -0.03 -0.04 7.74 7.37 2z5fA1 ASN 148 H -0.10 0.72 0.27 -0.55 8.53 8.86 2z5fA1 ASN 148 HA -0.06 0.19 0.29 -0.75 4.76 4.43 2z5fA1 ASN 148 HB2 -0.04 0.27 0.04 -0.04 2.88 3.10 2z5fA1 ASN 148 HB3 -0.02 -0.11 0.14 -0.04 2.79 2.76 2z5fA1 ASN 148 HD21 -0.02 -0.02 -0.09 -0.04 7.03 6.86 2z5fA1 ASN 148 HD22 -0.02 0.03 -0.10 -0.04 7.74 7.61 2z5fA1 LEU 149 H -0.10 0.08 -0.24 -0.55 8.37 7.57 2z5fA1 LEU 149 HA -0.05 0.16 0.78 -0.75 4.35 4.48 2z5fA1 LEU 149 HB2 -0.11 -0.01 0.00 -0.04 1.64 1.48 2z5fA1 LEU 149 HB3 -0.16 -0.10 0.14 -0.04 1.64 1.48 2z5fA1 LEU 149 HG -0.03 0.04 0.08 -0.04 1.64 1.69 2z5fA1 LEU 149 HD13 0.05 -0.02 0.00 -0.04 0.93 0.93 2z5fA1 LEU 149 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83 2z5fA1 GLN 150 H -0.10 0.32 -0.21 -0.55 8.47 7.94 2z5fA1 GLN 150 HA -0.04 -0.00 0.60 -0.75 4.36 4.17 2z5fA1 GLN 150 HB2 -0.12 0.34 0.17 -0.04 2.15 2.50 2z5fA1 GLN 150 HB3 -0.05 0.09 0.07 -0.04 2.02 2.10 2z5fA1 GLN 150 HG2 -0.01 -0.15 -0.07 -0.04 2.40 2.13 2z5fA1 GLN 150 HG3 0.06 0.01 -0.02 -0.04 2.39 2.40 2z5fA1 GLN 150 HE21 0.16 -0.13 0.04 -0.04 6.97 6.99 2z5fA1 GLN 150 HE22 0.17 0.06 0.01 -0.04 7.69 7.89 2z5fA1 PRO 151 HA 0.03 0.11 0.42 -0.51 4.44 4.50 2z5fA1 PRO 151 HB2 0.02 0.10 -0.16 -0.04 2.28 2.20 2z5fA1 PRO 151 HB3 0.03 -0.01 -0.02 -0.04 2.02 1.97 2z5fA1 PRO 151 HG2 0.01 -0.02 0.04 -0.04 2.03 2.01 2z5fA1 PRO 151 HG3 0.00 -0.09 0.10 -0.04 2.03 2.00 2z5fA1 PRO 151 HD2 -0.01 -0.03 0.19 -0.04 3.68 3.80 2z5fA1 PRO 151 HD3 -0.02 0.13 0.17 -0.04 3.65 3.89 2z5fA1 PHE 152 H 0.16 0.09 0.10 -0.55 8.34 8.14 2z5fA1 PHE 152 HA -0.05 0.25 0.52 -0.75 4.62 4.58 2z5fA1 PHE 152 HB2 -0.03 0.06 0.14 -0.04 3.15 3.29 2z5fA1 PHE 152 HB3 -0.01 -0.07 0.11 -0.04 3.06 3.04 2z5fA1 PHE 152 HD2 -0.02 0.05 -0.02 -0.04 7.28 7.25 2z5fA1 PHE 152 HE2 -0.01 -0.02 0.01 -0.04 7.38 7.32 2z5fA1 PHE 152 HZ 0.00 -0.01 -0.00 -0.04 7.32 7.27 2z5fA1 PRO 153 HA -0.03 0.14 0.49 -0.51 4.44 4.54 2z5fA1 PRO 153 HB2 -0.12 -0.08 -0.06 -0.04 2.28 1.98 2z5fA1 PRO 153 HB3 -0.32 0.03 0.05 -0.04 2.02 1.75 2z5fA1 PRO 153 HG2 -0.80 0.04 -0.04 -0.04 2.03 1.20 2z5fA1 PRO 153 HG3 -0.72 0.07 -0.09 -0.04 2.03 1.25 2z5fA1 PRO 153 HD2 -2.14 0.01 0.14 -0.04 3.68 1.65 2z5fA1 PRO 153 HD3 -0.56 0.38 0.03 -0.04 3.65 3.46 2z5fA1 GLY 154 H -0.94 0.10 -0.16 -0.55 8.43 6.89 2z5fA1 GLY 154 HA2 0.30 0.01 0.23 -0.51 4.01 4.05 2z5fA1 GLY 154 HA3 0.11 0.07 0.48 -0.51 4.01 4.16 2z5fA1 THR 155 H 0.10 0.07 0.17 -0.55 8.28 8.07 2z5fA1 THR 155 HA 0.18 0.23 0.64 -0.75 4.39 4.68 2z5fA1 THR 155 HB 0.08 -0.05 0.15 -0.04 4.32 4.45 2z5fA1 THR 155 HG23 0.10 0.05 0.06 -0.04 1.22 1.38 2z5fA1 TRP 156 H 0.12 0.21 0.16 -0.55 7.97 7.91 2z5fA1 TRP 156 HA -0.91 0.14 0.38 -0.75 4.62 3.48 2z5fA1 TRP 156 HB2 -0.68 0.11 0.11 -0.04 3.23 2.73 2z5fA1 TRP 156 HB3 -0.21 -0.03 0.17 -0.04 3.23 3.12 2z5fA1 TRP 156 HD1 -0.08 -0.00 -0.03 -0.04 7.22 7.06 2z5fA1 TRP 156 HE1 -0.17 -0.06 -0.14 -0.04 10.20 9.79 2z5fA1 TRP 156 HE3 -1.02 0.06 0.01 -0.04 7.59 6.59 2z5fA1 TRP 156 HZ2 -1.01 -0.05 -0.11 -0.04 7.44 6.23 2z5fA1 TRP 156 HZ3 -0.03 0.17 -0.24 -0.04 7.13 6.98 2z5fA1 TRP 156 HH2 -0.11 -0.04 -0.14 -0.04 7.19 6.86 2z5fA1 GLU 157 H -0.05 0.09 -0.14 -0.55 8.60 7.96 2z5fA1 GLU 157 HA -0.54 0.04 0.37 -0.75 4.29 3.41 2z5fA1 GLU 157 HB2 -0.08 0.01 0.09 -0.04 2.09 2.07 2z5fA1 GLU 157 HB3 -0.05 -0.03 0.09 -0.04 1.99 1.96 2z5fA1 GLU 157 HG2 -0.08 0.04 -0.19 -0.04 2.34 2.06 2z5fA1 GLU 157 HG3 -0.13 -0.01 -0.02 -0.04 2.34 2.14 2z5fA1 GLU 158 H -0.09 0.04 -0.29 -0.55 8.60 7.72 2z5fA1 GLU 158 HA -0.10 0.05 0.43 -0.75 4.29 3.91 2z5fA1 GLU 158 HB2 0.01 0.03 0.21 -0.04 2.09 2.30 2z5fA1 GLU 158 HB3 -0.01 0.10 0.02 -0.04 1.99 2.06 2z5fA1 GLU 158 HG2 -0.01 0.06 0.04 -0.04 2.34 2.38 2z5fA1 GLU 158 HG3 -0.02 -0.10 0.03 -0.04 2.34 2.21 2z5fA1 TYR 159 H -0.02 0.69 -0.04 -0.55 8.29 8.37 2z5fA1 TYR 159 HA -0.08 0.08 0.52 -0.75 4.56 4.33 2z5fA1 TYR 159 HB2 0.11 0.22 -0.01 -0.04 3.06 3.34 2z5fA1 TYR 159 HB3 -0.22 -0.04 0.09 -0.04 2.98 2.77 2z5fA1 TYR 159 HD2 -0.03 0.04 -0.08 -0.04 7.15 7.04 2z5fA1 TYR 159 HE2 0.03 0.03 -0.02 -0.04 6.85 6.85 2z5fA1 LEU 160 H -0.74 0.71 -0.07 -0.55 8.37 7.73 2z5fA1 LEU 160 HA -0.49 -0.01 0.33 -0.75 4.35 3.43 2z5fA1 LEU 160 HB2 -1.92 0.01 0.06 -0.04 1.64 -0.25 2z5fA1 LEU 160 HB3 -0.85 0.07 0.07 -0.04 1.64 0.89 2z5fA1 LEU 160 HG -0.25 0.01 -0.14 -0.04 1.64 1.22 2z5fA1 LEU 160 HD13 -0.11 -0.02 0.03 -0.04 0.93 0.79 2z5fA1 LEU 160 HD23 -0.58 -0.01 -0.04 -0.04 0.89 0.22 2z5fA1 GLU 161 H -0.30 0.37 -0.37 -0.55 8.60 7.76 2z5fA1 GLU 161 HA -0.13 0.00 0.55 -0.75 4.29 3.96 2z5fA1 GLU 161 HB2 -0.15 0.01 0.13 -0.04 2.09 2.04 2z5fA1 GLU 161 HB3 -0.13 0.16 0.13 -0.04 1.99 2.11 2z5fA1 GLU 161 HG2 -0.07 -0.01 0.01 -0.04 2.34 2.22 2z5fA1 GLU 161 HG3 -0.08 0.01 -0.09 -0.04 2.34 2.15 2z5fA1 LYS 162 H -0.22 0.45 -0.05 -0.55 8.42 8.05 2z5fA1 LYS 162 HA -0.11 0.01 0.52 -0.75 4.32 3.99 2z5fA1 LYS 162 HB2 -0.34 0.11 0.16 -0.04 1.87 1.76 2z5fA1 LYS 162 HB3 -0.15 0.15 -0.02 -0.04 1.79 1.72 2z5fA1 LYS 162 HG2 -0.07 -0.05 0.05 -0.04 1.46 1.35 2z5fA1 LYS 162 HG3 -0.10 0.03 0.08 -0.04 1.46 1.42 2z5fA1 LYS 162 HD2 -0.04 0.03 0.02 -0.04 1.69 1.66 2z5fA1 LYS 162 HD3 -0.03 0.06 0.03 -0.04 1.68 1.70 2z5fA1 LYS 162 HE2 -0.01 -0.05 -0.07 -0.04 2.99 2.81 2z5fA1 LYS 162 HE3 0.03 0.06 -0.06 -0.04 2.99 2.98 2z5fA1 PHE 163 H -0.34 0.60 -0.13 -0.55 8.34 7.92 2z5fA1 PHE 163 HA -0.13 0.03 0.28 -0.75 4.62 4.04 2z5fA1 PHE 163 HB2 -0.45 0.05 0.04 -0.04 3.15 2.75 2z5fA1 PHE 163 HB3 -0.22 0.06 0.12 -0.04 3.06 2.98 2z5fA1 PHE 163 HD2 0.18 0.07 -0.16 -0.04 7.28 7.32 2z5fA1 PHE 163 HE2 0.08 -0.00 -0.08 -0.04 7.38 7.33 2z5fA1 PHE 163 HZ -0.51 -0.06 0.03 -0.04 7.32 6.73 2z5fA1 LEU 164 H 0.04 0.60 -0.14 -0.55 8.37 8.32 2z5fA1 LEU 164 HA 0.12 -0.04 0.43 -0.75 4.35 4.10 2z5fA1 LEU 164 HB2 -0.02 0.12 0.15 -0.04 1.64 1.85 2z5fA1 LEU 164 HB3 -0.01 -0.02 -0.01 -0.04 1.64 1.55 2z5fA1 LEU 164 HG 0.12 -0.01 0.06 -0.04 1.64 1.76 2z5fA1 LEU 164 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 2z5fA1 LEU 164 HD23 -0.33 -0.03 0.06 -0.04 0.89 0.55 2z5fA1 THR 165 H -0.05 0.36 -0.37 -0.55 8.28 7.66 2z5fA1 THR 165 HA -0.01 0.15 0.84 -0.75 4.39 4.62 2z5fA1 THR 165 HB -0.03 -0.03 0.15 -0.04 4.32 4.37 2z5fA1 THR 165 HG23 -0.04 -0.01 -0.02 -0.04 1.22 1.11 2z5fA1 GLY 166 H -0.10 0.36 -0.28 -0.55 8.43 7.87 2z5fA1 GLY 166 HA2 -0.06 0.03 0.10 -0.51 4.01 3.57 2z5fA1 GLY 166 HA3 0.02 -0.01 0.26 -0.51 4.01 3.77 2z5fA1 LYS 167 H -0.06 0.48 -0.19 -0.55 8.42 8.10 2z5fA1 LYS 167 HA -0.00 0.11 0.54 -0.75 4.32 4.22 2z5fA1 LYS 167 HB2 -0.06 -0.04 0.15 -0.04 1.87 1.89 2z5fA1 LYS 167 HB3 -0.03 -0.03 0.12 -0.04 1.79 1.82 2z5fA1 LYS 167 HG2 -0.02 0.02 -0.07 -0.04 1.46 1.34 2z5fA1 LYS 167 HG3 -0.03 0.08 -0.20 -0.04 1.46 1.27 2z5fA1 LYS 167 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.58 2z5fA1 LYS 167 HD3 -0.03 -0.02 -0.00 -0.04 1.68 1.58 2z5fA1 LYS 167 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.89 2z5fA1 LYS 167 HE3 -0.03 0.07 -0.01 -0.04 2.99 2.97 2z5fA1 VAL 168 H 0.05 0.48 -0.49 -0.55 8.24 7.74 2z5fA1 VAL 168 HA 0.02 0.14 0.65 -0.75 4.13 4.17 2z5fA1 VAL 168 HB -0.01 -0.00 0.02 -0.04 2.12 2.09 2z5fA1 VAL 168 HG13 -0.10 -0.01 -0.38 -0.04 0.97 0.43 2z5fA1 VAL 168 HG23 0.20 0.01 -0.21 -0.04 0.95 0.91 2z5fA1 ALA 169 H 0.08 0.12 0.03 -0.55 8.40 8.08 2z5fA1 ALA 169 HA 0.04 0.14 0.25 -0.75 4.34 4.02 2z5fA1 ALA 169 HB3 0.15 -0.01 0.07 -0.04 1.41 1.58 2z5fA1 TYR 170 H -0.11 0.46 0.31 -0.55 8.29 8.40 2z5fA1 TYR 170 HA 0.13 0.00 0.35 -0.75 4.56 4.29 2z5fA1 TYR 170 HB2 -0.15 0.16 0.22 -0.04 3.06 3.24 2z5fA1 TYR 170 HB3 0.10 0.02 0.20 -0.04 2.98 3.27 2z5fA1 TYR 170 HD2 0.11 0.08 -0.29 -0.04 7.15 7.01 2z5fA1 TYR 170 HE2 0.26 -0.05 -0.12 -0.04 6.85 6.91 2z5fA1 GLY 171 H 0.25 0.51 -0.23 -0.55 8.43 8.42 2z5fA1 GLY 171 HA2 0.21 0.32 0.49 -0.51 4.01 4.51 2z5fA1 GLY 171 HA3 0.41 -0.05 0.49 -0.51 4.01 4.35 2z5fA1 SER 172 H 0.23 0.13 0.25 -0.55 8.46 8.52 2z5fA1 SER 172 HA 0.00 0.08 0.40 -0.75 4.49 4.21 2z5fA1 SER 172 HB2 0.11 0.16 0.10 -0.04 3.95 4.28 2z5fA1 SER 172 HB3 0.16 0.01 0.21 -0.04 3.93 4.27 2z5fA1 TRP 173 H -0.33 0.24 0.23 -0.55 7.97 7.56 2z5fA1 TRP 173 HA -0.87 0.13 0.52 -0.75 4.62 3.64 2z5fA1 TRP 173 HB2 -1.05 0.11 0.13 -0.04 3.23 2.38 2z5fA1 TRP 173 HB3 -0.89 -0.02 0.12 -0.04 3.23 2.41 2z5fA1 TRP 173 HD1 -0.81 0.09 0.01 -0.04 7.22 6.46 2z5fA1 TRP 173 HE1 -0.11 0.06 0.02 -0.04 10.20 10.13 2z5fA1 TRP 173 HE3 -1.10 0.03 -0.22 -0.04 7.59 6.26 2z5fA1 TRP 173 HZ2 -1.00 0.07 -0.05 -0.04 7.44 6.43 2z5fA1 TRP 173 HZ3 -0.09 0.07 -0.04 -0.04 7.13 7.04 2z5fA1 TRP 173 HH2 -0.68 -0.01 -0.04 -0.04 7.19 6.42 2z5fA1 PHE 174 H -0.13 0.13 -0.11 -0.55 8.34 7.68 2z5fA1 PHE 174 HA -0.14 0.05 0.38 -0.75 4.62 4.15 2z5fA1 PHE 174 HB2 0.01 -0.01 0.09 -0.04 3.15 3.20 2z5fA1 PHE 174 HB3 -0.03 0.11 0.01 -0.04 3.06 3.11 2z5fA1 PHE 174 HD2 0.04 0.02 0.03 -0.04 7.28 7.33 2z5fA1 PHE 174 HE2 -0.05 0.08 0.05 -0.04 7.38 7.42 2z5fA1 PHE 174 HZ -0.34 -0.02 -0.01 -0.04 7.32 6.90 2z5fA1 THR 175 H 0.18 0.09 -0.12 -0.55 8.28 7.88 2z5fA1 THR 175 HA 0.08 0.08 0.45 -0.75 4.39 4.24 2z5fA1 THR 175 HB 0.21 0.12 0.09 -0.04 4.32 4.70 2z5fA1 THR 175 HG23 0.12 0.01 -0.03 -0.04 1.22 1.28 2z5fA1 HIS 176 H 0.19 0.46 -0.19 -0.55 8.41 8.33 2z5fA1 HIS 176 HA 0.26 -0.01 0.43 -0.75 4.63 4.56 2z5fA1 HIS 176 HB2 0.25 0.28 0.14 -0.04 3.26 3.89 2z5fA1 HIS 176 HB3 0.00 -0.03 0.13 -0.04 3.20 3.26 2z5fA1 HIS 176 HD2 0.34 0.16 0.01 -0.04 6.97 7.43 2z5fA1 HIS 176 HE1 0.18 -0.05 -0.56 -0.04 7.75 7.27 2z5fA1 VAL 177 H -0.23 0.60 -0.08 -0.55 8.24 7.97 2z5fA1 VAL 177 HA 0.22 0.03 0.34 -0.75 4.13 3.96 2z5fA1 VAL 177 HB -0.87 0.11 0.17 -0.04 2.12 1.49 2z5fA1 VAL 177 HG13 0.24 -0.02 -0.11 -0.04 0.97 1.04 2z5fA1 VAL 177 HG23 -0.81 -0.01 0.05 -0.04 0.95 0.14 2z5fA1 LYS 178 H -0.03 0.67 -0.02 -0.55 8.42 8.49 2z5fA1 LYS 178 HA 0.08 -0.03 0.38 -0.75 4.32 4.00 2z5fA1 LYS 178 HB2 0.03 0.04 0.16 -0.04 1.87 2.06 2z5fA1 LYS 178 HB3 0.03 -0.02 0.01 -0.04 1.79 1.78 2z5fA1 LYS 178 HG2 -0.03 -0.10 0.06 -0.04 1.46 1.36 2z5fA1 LYS 178 HG3 -0.01 0.07 0.11 -0.04 1.46 1.59 2z5fA1 LYS 178 HD2 -0.00 -0.04 0.03 -0.04 1.69 1.63 2z5fA1 LYS 178 HD3 -0.02 0.13 0.08 -0.04 1.68 1.83 2z5fA1 LYS 178 HE2 0.07 -0.15 -0.15 -0.04 2.99 2.73 2z5fA1 LYS 178 HE3 0.04 -0.06 -0.15 -0.04 2.99 2.78 2z5fA1 ASN 179 H 0.05 0.61 -0.13 -0.55 8.53 8.52 2z5fA1 ASN 179 HA -0.01 0.04 0.53 -0.75 4.76 4.57 2z5fA1 ASN 179 HB2 -0.05 0.11 0.15 -0.04 2.88 3.04 2z5fA1 ASN 179 HB3 -0.14 -0.06 0.03 -0.04 2.79 2.58 2z5fA1 ASN 179 HD21 0.03 -0.02 0.01 -0.04 7.03 7.00 2z5fA1 ASN 179 HD22 0.03 -0.06 -0.00 -0.04 7.74 7.66 2z5fA1 TRP 180 H 0.12 0.51 -0.13 -0.55 7.97 7.93 2z5fA1 TRP 180 HA -0.11 0.06 0.63 -0.75 4.62 4.44 2z5fA1 TRP 180 HB2 -0.75 0.13 0.12 -0.04 3.23 2.68 2z5fA1 TRP 180 HB3 -1.08 -0.02 -0.11 -0.04 3.23 1.98 2z5fA1 TRP 180 HD1 -0.48 0.14 0.00 -0.04 7.22 6.84 2z5fA1 TRP 180 HE1 -0.21 0.33 -0.02 -0.04 10.20 10.26 2z5fA1 TRP 180 HE3 -0.02 -0.01 -0.09 -0.04 7.59 7.44 2z5fA1 TRP 180 HZ2 -0.00 0.07 -0.21 -0.04 7.44 7.26 2z5fA1 TRP 180 HZ3 0.09 0.06 -0.16 -0.04 7.13 7.07 2z5fA1 TRP 180 HH2 -0.23 0.02 -0.16 -0.04 7.19 6.78 2z5fA1 TRP 181 H 0.39 0.57 -0.07 -0.55 7.97 8.31 2z5fA1 TRP 181 HA 0.07 0.03 0.47 -0.75 4.62 4.44 2z5fA1 TRP 181 HB2 -0.07 -0.03 0.08 -0.04 3.23 3.17 2z5fA1 TRP 181 HB3 -0.02 0.12 0.17 -0.04 3.23 3.45 2z5fA1 TRP 181 HD1 -0.07 0.05 -0.20 -0.04 7.22 6.96 2z5fA1 TRP 181 HE1 -0.09 0.01 -0.05 -0.04 10.20 10.03 2z5fA1 TRP 181 HE3 -2.88 -0.01 -0.04 -0.04 7.59 4.62 2z5fA1 TRP 181 HZ2 -0.11 0.02 -0.05 -0.04 7.44 7.26 2z5fA1 TRP 181 HZ3 -0.89 -0.01 -0.05 -0.04 7.13 6.14 2z5fA1 TRP 181 HH2 -0.16 0.02 -0.03 -0.04 7.19 6.98 2z5fA1 LYS 182 H 0.20 0.51 -0.07 -0.55 8.42 8.51 2z5fA1 LYS 182 HA 0.01 0.00 0.48 -0.75 4.32 4.06 2z5fA1 LYS 182 HB2 -0.02 0.14 0.12 -0.04 1.87 2.07 2z5fA1 LYS 182 HB3 -0.05 -0.02 -0.05 -0.04 1.79 1.62 2z5fA1 LYS 182 HG2 0.06 -0.05 0.06 -0.04 1.46 1.49 2z5fA1 LYS 182 HG3 0.11 0.10 0.09 -0.04 1.46 1.72 2z5fA1 LYS 182 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.61 2z5fA1 LYS 182 HD3 -0.03 -0.00 -0.00 -0.04 1.68 1.60 2z5fA1 LYS 182 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 2z5fA1 LYS 182 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2z5fA1 ARG 183 H -0.07 0.35 -0.42 -0.55 8.46 7.77 2z5fA1 ARG 183 HA -0.20 0.03 0.51 -0.75 4.34 3.93 2z5fA1 ARG 183 HB2 -0.03 0.20 0.09 -0.04 1.90 2.12 2z5fA1 ARG 183 HB3 -0.10 -0.02 -0.02 -0.04 1.80 1.62 2z5fA1 ARG 183 HG2 -0.36 0.07 0.05 -0.04 1.67 1.40 2z5fA1 ARG 183 HG3 -0.53 -0.06 0.01 -0.04 1.67 1.05 2z5fA1 ARG 183 HD2 -1.49 0.03 -0.02 -0.04 3.22 1.69 2z5fA1 ARG 183 HD3 -0.57 -0.02 -0.00 -0.04 3.22 2.59 2z5fA1 LYS 184 H -0.14 0.40 -0.46 -0.55 8.42 7.68 2z5fA1 LYS 184 HA 0.03 0.05 0.29 -0.75 4.32 3.94 2z5fA1 LYS 184 HB2 -0.33 0.12 0.21 -0.04 1.87 1.83 2z5fA1 LYS 184 HB3 -0.51 -0.03 0.04 -0.04 1.79 1.26 2z5fA1 LYS 184 HG2 -0.20 0.04 0.13 -0.04 1.46 1.39 2z5fA1 LYS 184 HG3 -0.05 -0.02 0.05 -0.04 1.46 1.41 2z5fA1 LYS 184 HD2 -0.29 -0.09 0.07 -0.04 1.69 1.34 2z5fA1 LYS 184 HD3 -0.63 -0.06 0.03 -0.04 1.68 0.98 2z5fA1 LYS 184 HE2 -2.43 -0.03 0.02 -0.04 2.99 0.51 2z5fA1 LYS 184 HE3 -0.75 0.05 -0.01 -0.04 2.99 2.23 2z5fA1 GLU 185 H -0.14 0.20 -0.37 -0.55 8.60 7.74 2z5fA1 GLU 185 HA -0.09 0.09 0.54 -0.75 4.29 4.07 2z5fA1 GLU 185 HB2 -0.11 0.00 0.11 -0.04 2.09 2.04 2z5fA1 GLU 185 HB3 -0.07 0.02 -0.01 -0.04 1.99 1.89 2z5fA1 GLU 185 HG2 -0.05 0.02 0.10 -0.04 2.34 2.37 2z5fA1 GLU 185 HG3 -0.07 -0.03 0.06 -0.04 2.34 2.25 2z5fA1 GLU 186 H -0.05 0.22 -0.16 -0.55 8.60 8.06 2z5fA1 GLU 186 HA -0.00 0.21 0.98 -0.75 4.29 4.72 2z5fA1 GLU 186 HB2 -0.09 0.01 0.06 -0.04 2.09 2.03 2z5fA1 GLU 186 HB3 -0.03 -0.01 0.18 -0.04 1.99 2.08 2z5fA1 GLU 186 HG2 -0.06 -0.06 -0.19 -0.04 2.34 1.99 2z5fA1 GLU 186 HG3 -0.07 -0.05 -0.02 -0.04 2.34 2.17 2z5fA1 HIS 187 H 0.11 0.29 -0.12 -0.55 8.41 8.15 2z5fA1 HIS 187 HA 0.12 0.16 0.58 -0.75 4.63 4.73 2z5fA1 HIS 187 HB2 0.15 -0.06 -0.16 -0.04 3.26 3.15 2z5fA1 HIS 187 HB3 0.30 -0.06 -0.12 -0.04 3.20 3.28 2z5fA1 HIS 187 HD2 0.33 -0.03 -0.20 -0.04 6.97 7.02 2z5fA1 HIS 187 HE1 0.30 0.07 0.21 -0.04 7.75 8.29 2z5fA1 PRO 188 HA 0.15 0.09 0.79 -0.51 4.44 4.96 2z5fA1 PRO 188 HB2 0.12 -0.03 0.18 -0.04 2.28 2.50 2z5fA1 PRO 188 HB3 0.03 -0.01 0.10 -0.04 2.02 2.10 2z5fA1 PRO 188 HG2 -0.18 0.22 -0.11 -0.04 2.03 1.91 2z5fA1 PRO 188 HG3 -0.16 0.04 0.03 -0.04 2.03 1.90 2z5fA1 PRO 188 HD2 -1.89 0.14 0.09 -0.04 3.68 1.98 2z5fA1 PRO 188 HD3 -0.38 0.09 0.07 -0.04 3.65 3.38 2z5fA1 ILE 189 H 0.15 0.43 0.11 -0.55 8.25 8.39 2z5fA1 ILE 189 HA 0.17 0.32 0.91 -0.75 4.18 4.83 2z5fA1 ILE 189 HB 0.17 0.01 0.01 -0.04 1.89 2.04 2z5fA1 ILE 189 HG12 0.48 0.01 -0.24 -0.04 1.49 1.70 2z5fA1 ILE 189 HG13 0.48 -0.05 -0.68 -0.04 1.21 0.93 2z5fA1 ILE 189 HG23 0.23 -0.04 -0.32 -0.04 0.93 0.76 2z5fA1 ILE 189 HD13 0.52 -0.00 -0.31 -0.04 0.88 1.04 2z5fA1 LEU 190 H -0.56 0.62 0.32 -0.55 8.37 8.20 2z5fA1 LEU 190 HA -0.31 0.10 0.83 -0.75 4.35 4.22 2z5fA1 LEU 190 HB2 -1.62 0.07 0.08 -0.04 1.64 0.12 2z5fA1 LEU 190 HB3 -0.85 -0.00 0.21 -0.04 1.64 0.96 2z5fA1 LEU 190 HG -0.23 -0.07 -0.33 -0.04 1.64 0.98 2z5fA1 LEU 190 HD13 -0.15 -0.00 -0.02 -0.04 0.93 0.72 2z5fA1 LEU 190 HD23 -0.18 -0.00 -0.16 -0.04 0.89 0.51 2z5fA1 PHE 191 H 0.03 0.23 0.11 -0.55 8.34 8.16 2z5fA1 PHE 191 HA 0.00 0.28 0.81 -0.75 4.62 4.96 2z5fA1 PHE 191 HB2 -0.11 0.08 0.02 -0.04 3.15 3.09 2z5fA1 PHE 191 HB3 -0.06 -0.04 0.18 -0.04 3.06 3.09 2z5fA1 PHE 191 HD2 -0.03 0.01 -0.26 -0.04 7.28 6.96 2z5fA1 PHE 191 HE2 -0.13 -0.06 -0.14 -0.04 7.38 7.01 2z5fA1 PHE 191 HZ 0.36 -0.08 -0.09 -0.04 7.32 7.46 2z5fA1 LEU 192 H -0.30 0.72 0.36 -0.55 8.37 8.60 2z5fA1 LEU 192 HA 0.00 0.17 0.93 -0.75 4.35 4.70 2z5fA1 LEU 192 HB2 -0.18 -0.01 -0.03 -0.04 1.64 1.38 2z5fA1 LEU 192 HB3 -0.09 -0.07 -0.02 -0.04 1.64 1.43 2z5fA1 LEU 192 HG -0.15 0.08 -0.32 -0.04 1.64 1.22 2z5fA1 LEU 192 HD13 -0.15 -0.00 -0.13 -0.04 0.93 0.60 2z5fA1 LEU 192 HD23 -0.05 0.02 -0.13 -0.04 0.89 0.69 2z5fA1 TYR 193 H 0.16 0.18 0.20 -0.55 8.29 8.28 2z5fA1 TYR 193 HA 0.13 0.43 1.12 -0.75 4.56 5.49 2z5fA1 TYR 193 HB2 0.07 -0.04 0.17 -0.04 3.06 3.22 2z5fA1 TYR 193 HB3 0.13 -0.20 0.06 -0.04 2.98 2.94 2z5fA1 TYR 193 HD2 -0.01 -0.03 -0.01 -0.04 7.15 7.06 2z5fA1 TYR 193 HE2 -0.96 0.01 -0.11 -0.04 6.85 5.76 2z5fA1 TYR 194 H 0.41 0.71 0.35 -0.55 8.29 9.20 2z5fA1 TYR 194 HA 0.11 0.12 0.32 -0.75 4.56 4.35 2z5fA1 TYR 194 HB2 0.19 0.27 0.03 -0.04 3.06 3.50 2z5fA1 TYR 194 HB3 0.24 -0.18 0.19 -0.04 2.98 3.19 2z5fA1 TYR 194 HD2 0.28 0.05 -0.25 -0.04 7.15 7.19 2z5fA1 TYR 194 HE2 0.17 -0.05 -0.29 -0.04 6.85 6.64 2z5fA1 GLU 195 H 0.40 0.09 -0.07 -0.55 8.60 8.48 2z5fA1 GLU 195 HA 0.25 0.07 0.35 -0.75 4.29 4.21 2z5fA1 GLU 195 HB2 0.16 0.01 0.08 -0.04 2.09 2.30 2z5fA1 GLU 195 HB3 0.14 0.06 -0.03 -0.04 1.99 2.11 2z5fA1 GLU 195 HG2 0.18 0.17 -0.03 -0.04 2.34 2.62 2z5fA1 GLU 195 HG3 0.29 -0.04 -0.01 -0.04 2.34 2.54 2z5fA1 ASP 196 H 0.16 0.14 -0.26 -0.55 8.40 7.90 2z5fA1 ASP 196 HA 0.06 0.06 0.49 -0.75 4.63 4.48 2z5fA1 ASP 196 HB2 0.11 0.16 0.14 -0.04 2.71 3.08 2z5fA1 ASP 196 HB3 0.06 0.04 0.00 -0.04 2.70 2.76 2z5fA1 MET 197 H -0.03 0.37 -0.15 -0.55 8.47 8.10 2z5fA1 MET 197 HA -0.14 0.05 0.37 -0.75 4.52 4.04 2z5fA1 MET 197 HB2 -0.41 -0.00 0.02 -0.04 2.15 1.72 2z5fA1 MET 197 HB3 -0.61 0.09 0.08 -0.04 2.03 1.56 2z5fA1 MET 197 HG2 -2.10 -0.01 -0.09 -0.04 2.63 0.39 2z5fA1 MET 197 HG3 -1.08 0.03 -0.15 -0.04 2.56 1.32 2z5fA1 MET 197 HE3 -0.41 0.01 -0.15 -0.04 2.10 1.51 2z5fA1 LYS 198 H 0.06 0.34 -0.23 -0.55 8.42 8.04 2z5fA1 LYS 198 HA 0.32 0.09 0.48 -0.75 4.32 4.47 2z5fA1 LYS 198 HB2 0.03 0.01 0.05 -0.04 1.87 1.91 2z5fA1 LYS 198 HB3 0.11 0.01 0.09 -0.04 1.79 1.96 2z5fA1 LYS 198 HG2 0.06 -0.19 0.03 -0.04 1.46 1.32 2z5fA1 LYS 198 HG3 0.06 0.04 -0.01 -0.04 1.46 1.50 2z5fA1 LYS 198 HD2 0.03 0.02 0.09 -0.04 1.69 1.79 2z5fA1 LYS 198 HD3 -0.18 0.01 0.02 -0.04 1.68 1.49 2z5fA1 LYS 198 HE2 -0.10 -0.06 0.17 -0.04 2.99 2.96 2z5fA1 LYS 198 HE3 -0.03 -0.03 0.10 -0.04 2.99 2.99 2z5fA1 GLU 199 H 0.07 0.39 -0.13 -0.55 8.60 8.38 2z5fA1 GLU 199 HA 0.05 0.06 0.57 -0.75 4.29 4.22 2z5fA1 GLU 199 HB2 0.05 -0.08 0.12 -0.04 2.09 2.14 2z5fA1 GLU 199 HB3 0.05 0.01 0.17 -0.04 1.99 2.18 2z5fA1 GLU 199 HG2 0.03 0.03 -0.27 -0.04 2.34 2.09 2z5fA1 GLU 199 HG3 0.03 -0.03 0.07 -0.04 2.34 2.37 2z5fA1 ASN 200 H 0.04 0.68 -0.10 -0.55 8.53 8.60 2z5fA1 ASN 200 HA 0.04 0.16 0.79 -0.75 4.76 5.00 2z5fA1 ASN 200 HB2 0.03 0.02 -0.13 -0.04 2.88 2.77 2z5fA1 ASN 200 HB3 0.02 -0.01 0.19 -0.04 2.79 2.95 2z5fA1 ASN 200 HD21 0.02 0.01 0.02 -0.04 7.03 7.04 2z5fA1 ASN 200 HD22 0.02 0.04 0.01 -0.04 7.74 7.77 2z5fA1 PRO 201 HA -0.04 0.03 0.51 -0.51 4.44 4.42 2z5fA1 PRO 201 HB2 0.07 -0.02 -0.04 -0.04 2.28 2.25 2z5fA1 PRO 201 HB3 0.12 0.10 0.11 -0.04 2.02 2.31 2z5fA1 PRO 201 HG2 0.09 -0.05 0.07 -0.04 2.03 2.09 2z5fA1 PRO 201 HG3 0.16 0.09 0.07 -0.04 2.03 2.31 2z5fA1 PRO 201 HD2 0.06 0.07 0.06 -0.04 3.68 3.83 2z5fA1 PRO 201 HD3 0.10 0.32 -0.26 -0.04 3.65 3.77 2z5fA1 LYS 202 H 0.03 0.16 -0.19 -0.55 8.42 7.87 2z5fA1 LYS 202 HA 0.02 0.08 0.36 -0.75 4.32 4.03 2z5fA1 LYS 202 HB2 0.03 0.04 0.06 -0.04 1.87 1.96 2z5fA1 LYS 202 HB3 0.03 -0.02 0.08 -0.04 1.79 1.84 2z5fA1 LYS 202 HG2 0.02 0.02 -0.21 -0.04 1.46 1.24 2z5fA1 LYS 202 HG3 0.02 -0.01 -0.03 -0.04 1.46 1.40 2z5fA1 LYS 202 HD2 0.02 0.01 -0.01 -0.04 1.69 1.67 2z5fA1 LYS 202 HD3 0.02 0.01 -0.04 -0.04 1.68 1.63 2z5fA1 LYS 202 HE2 0.03 -0.00 -0.04 -0.04 2.99 2.94 2z5fA1 LYS 202 HE3 0.02 0.02 -0.01 -0.04 2.99 2.98 2z5fA1 GLU 203 H 0.01 0.14 -0.17 -0.55 8.60 8.04 2z5fA1 GLU 203 HA 0.01 0.08 0.37 -0.75 4.29 4.00 2z5fA1 GLU 203 HB2 0.02 0.06 0.08 -0.04 2.09 2.20 2z5fA1 GLU 203 HB3 0.02 0.03 -0.02 -0.04 1.99 1.98 2z5fA1 GLU 203 HG2 0.02 -0.05 0.02 -0.04 2.34 2.29 2z5fA1 GLU 203 HG3 0.02 0.03 0.01 -0.04 2.34 2.37 2z5fA1 GLU 204 H -0.02 0.41 -0.18 -0.55 8.60 8.27 2z5fA1 GLU 204 HA -0.02 0.06 0.60 -0.75 4.29 4.18 2z5fA1 GLU 204 HB2 -0.10 0.09 0.10 -0.04 2.09 2.14 2z5fA1 GLU 204 HB3 -0.12 -0.03 -0.06 -0.04 1.99 1.73 2z5fA1 GLU 204 HG2 -0.02 0.23 -0.15 -0.04 2.34 2.37 2z5fA1 GLU 204 HG3 -0.06 -0.14 -0.46 -0.04 2.34 1.64 2z5fA1 ILE 205 H -0.05 0.79 0.02 -0.55 8.25 8.45 2z5fA1 ILE 205 HA -0.06 0.01 0.54 -0.75 4.18 3.92 2z5fA1 ILE 205 HB -0.01 0.06 0.10 -0.04 1.89 2.00 2z5fA1 ILE 205 HG12 -0.08 -0.04 -0.02 -0.04 1.49 1.30 2z5fA1 ILE 205 HG13 -0.10 0.04 0.07 -0.04 1.21 1.17 2z5fA1 ILE 205 HG23 -0.00 -0.01 -0.11 -0.04 0.93 0.76 2z5fA1 ILE 205 HD13 0.01 -0.02 -0.16 -0.04 0.88 0.67 2z5fA1 LYS 206 H -0.00 0.57 -0.17 -0.55 8.42 8.27 2z5fA1 LYS 206 HA 0.01 -0.00 0.47 -0.75 4.32 4.05 2z5fA1 LYS 206 HB2 0.01 0.10 0.13 -0.04 1.87 2.07 2z5fA1 LYS 206 HB3 0.02 -0.02 -0.00 -0.04 1.79 1.74 2z5fA1 LYS 206 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 2z5fA1 LYS 206 HG3 0.01 0.05 0.04 -0.04 1.46 1.52 2z5fA1 LYS 206 HD2 0.01 -0.04 -0.19 -0.04 1.69 1.43 2z5fA1 LYS 206 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 2z5fA1 LYS 206 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 2z5fA1 LYS 206 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.87 2z5fA1 LYS 207 H 0.00 0.39 -0.23 -0.55 8.42 8.03 2z5fA1 LYS 207 HA 0.03 0.01 0.53 -0.75 4.32 4.14 2z5fA1 LYS 207 HB2 -0.02 0.14 0.14 -0.04 1.87 2.09 2z5fA1 LYS 207 HB3 -0.00 -0.03 0.01 -0.04 1.79 1.73 2z5fA1 LYS 207 HG2 0.02 -0.04 0.06 -0.04 1.46 1.46 2z5fA1 LYS 207 HG3 0.01 0.24 0.16 -0.04 1.46 1.83 2z5fA1 LYS 207 HD2 0.01 -0.03 0.03 -0.04 1.69 1.65 2z5fA1 LYS 207 HD3 0.02 0.01 0.02 -0.04 1.68 1.69 2z5fA1 LYS 207 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.96 2z5fA1 LYS 207 HE3 0.02 -0.01 -0.12 -0.04 2.99 2.83 2z5fA1 ILE 208 H -0.01 0.39 -0.18 -0.55 8.25 7.91 2z5fA1 ILE 208 HA 0.09 0.04 0.43 -0.75 4.18 3.99 2z5fA1 ILE 208 HB -0.01 0.06 0.09 -0.04 1.89 1.99 2z5fA1 ILE 208 HG12 -0.06 -0.01 -0.05 -0.04 1.49 1.33 2z5fA1 ILE 208 HG13 -0.06 0.13 0.02 -0.04 1.21 1.26 2z5fA1 ILE 208 HG23 0.05 -0.00 -0.12 -0.04 0.93 0.82 2z5fA1 ILE 208 HD13 -0.12 -0.03 -0.10 -0.04 0.88 0.59 2z5fA1 ILE 209 H 0.02 0.55 -0.08 -0.55 8.25 8.19 2z5fA1 ILE 209 HA 0.03 0.02 0.34 -0.75 4.18 3.81 2z5fA1 ILE 209 HB 0.02 0.05 0.16 -0.04 1.89 2.08 2z5fA1 ILE 209 HG12 0.01 -0.03 -0.06 -0.04 1.49 1.38 2z5fA1 ILE 209 HG13 0.01 0.10 0.01 -0.04 1.21 1.30 2z5fA1 ILE 209 HG23 0.01 0.00 -0.21 -0.04 0.93 0.69 2z5fA1 ILE 209 HD13 0.01 -0.04 -0.14 -0.04 0.88 0.66 2z5fA1 ARG 210 H 0.05 0.57 -0.07 -0.55 8.46 8.45 2z5fA1 ARG 210 HA 0.03 0.06 0.48 -0.75 4.34 4.16 2z5fA1 ARG 210 HB2 0.07 0.04 0.11 -0.04 1.90 2.08 2z5fA1 ARG 210 HB3 0.04 -0.04 0.05 -0.04 1.80 1.81 2z5fA1 ARG 210 HG2 0.03 -0.04 0.06 -0.04 1.67 1.67 2z5fA1 ARG 210 HG3 0.03 0.42 0.15 -0.04 1.67 2.23 2z5fA1 ARG 210 HD2 0.03 -0.02 0.00 -0.04 3.22 3.19 2z5fA1 ARG 210 HD3 0.02 -0.08 -0.01 -0.04 3.22 3.11 2z5fA1 PHE 211 H 0.19 0.56 -0.10 -0.55 8.34 8.43 2z5fA1 PHE 211 HA 0.00 -0.01 0.46 -0.75 4.62 4.31 2z5fA1 PHE 211 HB2 0.00 -0.03 0.13 -0.04 3.15 3.21 2z5fA1 PHE 211 HB3 -0.01 0.07 0.15 -0.04 3.06 3.23 2z5fA1 PHE 211 HD2 -0.00 -0.01 -0.05 -0.04 7.28 7.17 2z5fA1 PHE 211 HE2 0.01 -0.03 -0.23 -0.04 7.38 7.09 2z5fA1 PHE 211 HZ 0.04 0.15 -0.06 -0.04 7.32 7.42 2z5fA1 LEU 212 H 0.07 0.48 -0.33 -0.55 8.37 8.04 2z5fA1 LEU 212 HA -0.21 0.10 0.44 -0.75 4.35 3.93 2z5fA1 LEU 212 HB2 0.01 0.03 0.03 -0.04 1.64 1.68 2z5fA1 LEU 212 HB3 -0.03 -0.03 0.07 -0.04 1.64 1.61 2z5fA1 LEU 212 HG 0.14 0.05 -0.05 -0.04 1.64 1.75 2z5fA1 LEU 212 HD13 0.04 -0.04 -0.10 -0.04 0.93 0.79 2z5fA1 LEU 212 HD23 -0.06 0.01 -0.13 -0.04 0.89 0.67 2z5fA1 GLU 213 H -0.04 0.39 -0.60 -0.55 8.60 7.81 2z5fA1 GLU 213 HA -0.02 0.02 0.32 -0.75 4.29 3.86 2z5fA1 GLU 213 HB2 -0.06 0.11 -0.10 -0.04 2.09 1.99 2z5fA1 GLU 213 HB3 -0.04 -0.12 0.18 -0.04 1.99 1.98 2z5fA1 GLU 213 HG2 -0.04 -0.09 0.05 -0.04 2.34 2.22 2z5fA1 GLU 213 HG3 -0.09 0.19 -0.06 -0.04 2.34 2.35 2z5fA1 LYS 214 H -0.01 0.52 -0.06 -0.55 8.42 8.32 2z5fA1 LYS 214 HA -0.01 0.15 0.79 -0.75 4.32 4.49 2z5fA1 LYS 214 HB2 0.00 -0.08 -0.05 -0.04 1.87 1.70 2z5fA1 LYS 214 HB3 -0.00 -0.07 -0.02 -0.04 1.79 1.66 2z5fA1 LYS 214 HG2 -0.02 0.23 -0.47 -0.04 1.46 1.16 2z5fA1 LYS 214 HG3 -0.01 -0.07 -0.16 -0.04 1.46 1.18 2z5fA1 LYS 214 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.63 2z5fA1 LYS 214 HD3 -0.02 0.05 -0.06 -0.04 1.68 1.61 2z5fA1 LYS 214 HE2 -0.01 0.15 -0.06 -0.04 2.99 3.04 2z5fA1 LYS 214 HE3 -0.01 -0.12 -0.00 -0.04 2.99 2.82 2z5fA1 ASN 215 H -0.00 0.26 0.07 -0.55 8.53 8.31 2z5fA1 ASN 215 HA 0.00 0.15 0.60 -0.75 4.76 4.77 2z5fA1 ASN 215 HB2 -0.00 -0.05 0.04 -0.04 2.88 2.83 2z5fA1 ASN 215 HB3 0.00 -0.02 0.04 -0.04 2.79 2.77 2z5fA1 ASN 215 HD21 -0.01 0.07 -0.08 -0.04 7.03 6.98 2z5fA1 ASN 215 HD22 -0.00 -0.03 0.05 -0.04 7.74 7.71 2z5fA1 LEU 216 H 0.01 0.26 0.02 -0.55 8.37 8.10 2z5fA1 LEU 216 HA 0.00 0.19 0.95 -0.75 4.35 4.73 2z5fA1 LEU 216 HB2 0.01 -0.02 -0.02 -0.04 1.64 1.56 2z5fA1 LEU 216 HB3 0.00 -0.05 -0.03 -0.04 1.64 1.53 2z5fA1 LEU 216 HG 0.00 -0.06 -0.36 -0.04 1.64 1.18 2z5fA1 LEU 216 HD13 0.00 0.03 -0.10 -0.04 0.93 0.82 2z5fA1 LEU 216 HD23 -0.00 0.08 -0.03 -0.04 0.89 0.89 2z5fA1 ASN 217 H 0.00 0.14 0.11 -0.55 8.53 8.24 2z5fA1 ASN 217 HA 0.01 0.19 0.37 -0.75 4.76 4.57 2z5fA1 ASN 217 HB2 0.00 -0.07 0.18 -0.04 2.88 2.95 2z5fA1 ASN 217 HB3 0.00 0.14 0.10 -0.04 2.79 2.99 2z5fA1 ASN 217 HD21 -0.00 0.06 0.03 -0.04 7.03 7.07 2z5fA1 ASN 217 HD22 -0.00 0.09 0.05 -0.04 7.74 7.84 2z5fA1 ASP 218 H 0.01 0.19 0.17 -0.55 8.40 8.22 2z5fA1 ASP 218 HA 0.01 0.13 0.25 -0.75 4.63 4.28 2z5fA1 ASP 218 HB2 0.01 0.01 0.15 -0.04 2.71 2.84 2z5fA1 ASP 218 HB3 0.01 0.04 0.02 -0.04 2.70 2.73 2z5fA1 GLU 219 H 0.01 0.07 -0.18 -0.55 8.60 7.95 2z5fA1 GLU 219 HA 0.01 0.12 0.51 -0.75 4.29 4.18 2z5fA1 GLU 219 HB2 0.00 0.01 0.08 -0.04 2.09 2.13 2z5fA1 GLU 219 HB3 0.00 -0.01 0.05 -0.04 1.99 1.99 2z5fA1 GLU 219 HG2 0.00 0.04 -0.13 -0.04 2.34 2.21 2z5fA1 GLU 219 HG3 0.00 0.01 0.03 -0.04 2.34 2.34 2z5fA1 ILE 220 H 0.01 0.09 -0.19 -0.55 8.25 7.60 2z5fA1 ILE 220 HA 0.01 0.12 0.44 -0.75 4.18 4.00 2z5fA1 ILE 220 HB 0.00 0.02 0.02 -0.04 1.89 1.89 2z5fA1 ILE 220 HG12 -0.01 0.13 0.01 -0.04 1.49 1.58 2z5fA1 ILE 220 HG13 -0.00 -0.16 -0.00 -0.04 1.21 1.01 2z5fA1 ILE 220 HG23 -0.00 0.03 -0.26 -0.04 0.93 0.65 2z5fA1 ILE 220 HD13 -0.00 -0.00 0.04 -0.04 0.88 0.87 2z5fA1 LEU 221 H 0.01 0.42 -0.23 -0.55 8.37 8.03 2z5fA1 LEU 221 HA 0.02 0.06 0.31 -0.75 4.35 3.99 2z5fA1 LEU 221 HB2 0.02 0.12 -0.03 -0.04 1.64 1.70 2z5fA1 LEU 221 HB3 0.02 0.03 0.06 -0.04 1.64 1.71 2z5fA1 LEU 221 HG 0.03 -0.05 -0.20 -0.04 1.64 1.37 2z5fA1 LEU 221 HD13 0.02 0.01 -0.04 -0.04 0.93 0.87 2z5fA1 LEU 221 HD23 0.02 0.01 -0.04 -0.04 0.89 0.83 2z5fA1 ASP 222 H 0.03 0.49 -0.19 -0.55 8.40 8.18 2z5fA1 ASP 222 HA 0.05 -0.01 0.43 -0.75 4.63 4.35 2z5fA1 ASP 222 HB2 0.02 0.12 0.20 -0.04 2.71 3.01 2z5fA1 ASP 222 HB3 0.03 -0.02 -0.03 -0.04 2.70 2.63 2z5fA1 ARG 223 H 0.04 0.48 -0.23 -0.55 8.46 8.20 2z5fA1 ARG 223 HA 0.11 -0.01 0.56 -0.75 4.34 4.24 2z5fA1 ARG 223 HB2 0.03 0.01 0.14 -0.04 1.90 2.04 2z5fA1 ARG 223 HB3 0.02 0.22 0.17 -0.04 1.80 2.18 2z5fA1 ARG 223 HG2 0.02 -0.02 -0.18 -0.04 1.67 1.44 2z5fA1 ARG 223 HG3 0.05 -0.07 0.06 -0.04 1.67 1.66 2z5fA1 ARG 223 HD2 -0.03 0.25 0.11 -0.04 3.22 3.51 2z5fA1 ARG 223 HD3 -0.02 -0.10 0.07 -0.04 3.22 3.12 2z5fA1 ILE 224 H 0.05 0.52 -0.13 -0.55 8.25 8.14 2z5fA1 ILE 224 HA 0.10 0.03 0.42 -0.75 4.18 3.98 2z5fA1 ILE 224 HB 0.05 0.06 0.10 -0.04 1.89 2.06 2z5fA1 ILE 224 HG12 0.01 -0.05 -0.07 -0.04 1.49 1.34 2z5fA1 ILE 224 HG13 0.02 0.29 -0.03 -0.04 1.21 1.45 2z5fA1 ILE 224 HG23 0.06 -0.01 -0.10 -0.04 0.93 0.85 2z5fA1 ILE 224 HD13 0.01 -0.00 -0.19 -0.04 0.88 0.65 2z5fA1 ILE 225 H 0.09 0.61 -0.10 -0.55 8.25 8.30 2z5fA1 ILE 225 HA 0.12 0.00 0.24 -0.75 4.18 3.80 2z5fA1 ILE 225 HB 0.10 0.11 0.14 -0.04 1.89 2.19 2z5fA1 ILE 225 HG12 0.06 -0.09 -0.16 -0.04 1.49 1.26 2z5fA1 ILE 225 HG13 0.06 0.14 -0.01 -0.04 1.21 1.36 2z5fA1 ILE 225 HG23 0.11 -0.02 -0.11 -0.04 0.93 0.87 2z5fA1 ILE 225 HD13 0.05 -0.04 -0.10 -0.04 0.88 0.75 2z5fA1 HIS 226 H 0.20 0.45 -0.30 -0.55 8.41 8.22 2z5fA1 HIS 226 HA 0.07 -0.01 0.42 -0.75 4.63 4.36 2z5fA1 HIS 226 HB2 0.05 0.01 0.10 -0.04 3.26 3.38 2z5fA1 HIS 226 HB3 0.06 0.08 0.17 -0.04 3.20 3.47 2z5fA1 HIS 226 HD2 0.05 0.02 -0.10 -0.04 6.97 6.90 2z5fA1 HIS 226 HE1 0.02 -0.03 -0.02 -0.04 7.75 7.67 2z5fA1 HIS 227 H 0.21 0.67 -0.02 -0.55 8.41 8.73 2z5fA1 HIS 227 HA -0.11 -0.01 0.45 -0.75 4.63 4.20 2z5fA1 HIS 227 HB2 0.03 -0.03 0.10 -0.04 3.26 3.32 2z5fA1 HIS 227 HB3 0.04 0.10 0.13 -0.04 3.20 3.42 2z5fA1 HIS 227 HD2 0.03 0.02 -0.22 -0.04 6.97 6.75 2z5fA1 HIS 227 HE1 -0.03 0.01 -0.08 -0.04 7.75 7.61 2z5fA1 THR 228 H 0.12 0.44 -0.42 -0.55 8.28 7.87 2z5fA1 THR 228 HA 0.00 0.13 0.70 -0.75 4.39 4.47 2z5fA1 THR 228 HB 0.42 -0.07 0.09 -0.04 4.32 4.71 2z5fA1 THR 228 HG23 0.22 -0.01 -0.20 -0.04 1.22 1.19 2z5fA1 SER 229 H -0.02 0.32 -0.33 -0.55 8.46 7.89 2z5fA1 SER 229 HA 0.08 0.10 0.64 -0.75 4.49 4.55 2z5fA1 SER 229 HB2 0.03 -0.13 0.14 -0.04 3.95 3.95 2z5fA1 SER 229 HB3 0.05 0.21 0.18 -0.04 3.93 4.33 2z5fA1 PHE 230 H -0.00 0.18 0.16 -0.55 8.34 8.13 2z5fA1 PHE 230 HA -0.27 0.07 0.23 -0.75 4.62 3.89 2z5fA1 PHE 230 HB2 -0.34 0.06 0.14 -0.04 3.15 2.97 2z5fA1 PHE 230 HB3 -0.16 -0.01 0.13 -0.04 3.06 2.98 2z5fA1 PHE 230 HD2 -0.17 -0.02 -0.14 -0.04 7.28 6.91 2z5fA1 PHE 230 HE2 -0.06 -0.04 -0.24 -0.04 7.38 6.99 2z5fA1 PHE 230 HZ -0.04 0.15 -0.88 -0.04 7.32 6.51 2z5fA1 GLU 231 H 0.04 0.09 -0.12 -0.55 8.60 8.05 2z5fA1 GLU 231 HA -0.12 0.08 0.18 -0.75 4.29 3.68 2z5fA1 GLU 231 HB2 -0.01 0.00 0.01 -0.04 2.09 2.05 2z5fA1 GLU 231 HB3 -0.01 0.05 0.00 -0.04 1.99 1.99 2z5fA1 GLU 231 HG2 0.11 -0.08 0.06 -0.04 2.34 2.38 2z5fA1 GLU 231 HG3 0.05 0.03 0.01 -0.04 2.34 2.39 2z5fA1 VAL 232 H -0.14 0.08 -0.45 -0.55 8.24 7.17 2z5fA1 VAL 232 HA -0.14 0.05 0.46 -0.75 4.13 3.75 2z5fA1 VAL 232 HB -0.24 0.12 0.07 -0.04 2.12 2.03 2z5fA1 VAL 232 HG13 -0.21 -0.02 -0.08 -0.04 0.97 0.62 2z5fA1 VAL 232 HG23 -0.40 -0.03 -0.03 -0.04 0.95 0.45 2z5fA1 MET 233 H -0.21 0.66 -0.05 -0.55 8.47 8.32 2z5fA1 MET 233 HA -0.19 0.00 0.32 -0.75 4.52 3.90 2z5fA1 MET 233 HB2 -0.21 0.05 -0.03 -0.04 2.15 1.92 2z5fA1 MET 233 HB3 -0.11 -0.10 -0.07 -0.04 2.03 1.70 2z5fA1 MET 233 HG2 -0.17 -0.04 0.03 -0.04 2.63 2.41 2z5fA1 MET 233 HG3 -0.16 0.19 0.08 -0.04 2.56 2.63 2z5fA1 MET 233 HE3 0.09 -0.01 -0.15 -0.04 2.10 1.98 2z5fA1 LYS 234 H -0.41 0.65 -0.29 -0.55 8.42 7.81 2z5fA1 LYS 234 HA -0.23 -0.06 0.27 -0.75 4.32 3.54 2z5fA1 LYS 234 HB2 -0.38 -0.01 0.03 -0.04 1.87 1.48 2z5fA1 LYS 234 HB3 -1.14 -0.03 -0.00 -0.04 1.79 0.58 2z5fA1 LYS 234 HG2 -0.39 0.11 0.03 -0.04 1.46 1.17 2z5fA1 LYS 234 HG3 -0.21 0.03 -0.12 -0.04 1.46 1.11 2z5fA1 LYS 234 HD2 -0.14 0.02 -0.08 -0.04 1.69 1.45 2z5fA1 LYS 234 HD3 -0.44 -0.07 -0.17 -0.04 1.68 0.96 2z5fA1 LYS 234 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.91 2z5fA1 LYS 234 HE3 -0.02 -0.12 -0.03 -0.04 2.99 2.78 2z5fA1 ASP 235 H -0.16 0.37 -0.27 -0.55 8.40 7.79 2z5fA1 ASP 235 HA -0.07 0.11 0.78 -0.75 4.63 4.70 2z5fA1 ASP 235 HB2 -0.08 0.12 0.12 -0.04 2.71 2.82 2z5fA1 ASP 235 HB3 -0.05 -0.07 0.15 -0.04 2.70 2.68 2z5fA1 ASN 236 H -0.11 0.45 -0.33 -0.55 8.53 7.99 2z5fA1 ASN 236 HA -0.07 0.14 0.64 -0.75 4.76 4.72 2z5fA1 ASN 236 HB2 -0.13 0.11 0.01 -0.04 2.88 2.83 2z5fA1 ASN 236 HB3 -0.12 0.08 0.22 -0.04 2.79 2.93 2z5fA1 ASN 236 HD21 -0.04 0.06 -0.06 -0.04 7.03 6.95 2z5fA1 ASN 236 HD22 -0.21 0.09 -0.04 -0.04 7.74 7.54 2z5fA1 PRO 237 HA 0.01 0.03 0.25 -0.51 4.44 4.21 2z5fA1 PRO 237 HB2 0.08 0.01 0.05 -0.04 2.28 2.38 2z5fA1 PRO 237 HB3 0.01 0.07 0.06 -0.04 2.02 2.13 2z5fA1 PRO 237 HG2 -0.04 0.03 0.04 -0.04 2.03 2.02 2z5fA1 PRO 237 HG3 -0.01 0.06 0.08 -0.04 2.03 2.13 2z5fA1 PRO 237 HD2 -0.05 0.06 0.23 -0.04 3.68 3.87 2z5fA1 PRO 237 HD3 -0.04 0.44 0.37 -0.04 3.65 4.37 2z5fA1 LEU 238 H -0.09 0.16 -0.37 -0.55 8.37 7.51 2z5fA1 LEU 238 HA -0.11 0.09 0.68 -0.75 4.35 4.26 2z5fA1 LEU 238 HB2 -0.15 0.05 -0.01 -0.04 1.64 1.49 2z5fA1 LEU 238 HB3 -0.30 0.10 0.16 -0.04 1.64 1.55 2z5fA1 LEU 238 HG -0.21 -0.08 -0.02 -0.04 1.64 1.29 2z5fA1 LEU 238 HD13 -0.20 0.09 0.00 -0.04 0.93 0.79 2z5fA1 LEU 238 HD23 -0.77 -0.01 -0.20 -0.04 0.89 -0.13 2z5fA1 VAL 239 H -0.07 0.46 -0.09 -0.55 8.24 7.99 2z5fA1 VAL 239 HA -0.19 0.13 1.10 -0.75 4.13 4.42 2z5fA1 VAL 239 HB -0.02 -0.05 0.05 -0.04 2.12 2.06 2z5fA1 VAL 239 HG13 -0.05 -0.00 -0.17 -0.04 0.97 0.71 2z5fA1 VAL 239 HG23 -0.07 0.03 -0.02 -0.04 0.95 0.84 2z5fA1 ASN 240 H -0.03 0.35 0.08 -0.55 8.53 8.39 2z5fA1 ASN 240 HA 0.12 0.11 0.50 -0.75 4.76 4.74 2z5fA1 ASN 240 HB2 0.07 -0.09 0.18 -0.04 2.88 3.00 2z5fA1 ASN 240 HB3 -0.02 0.27 0.07 -0.04 2.79 3.06 2z5fA1 ASN 240 HD21 -0.04 -0.09 -0.16 -0.04 7.03 6.70 2z5fA1 ASN 240 HD22 -0.05 0.76 0.03 -0.04 7.74 8.44 2z5fA1 TYR 241 H -0.10 0.09 -0.63 -0.55 8.29 7.10 2z5fA1 TYR 241 HA 0.17 -0.02 0.20 -0.75 4.56 4.16 2z5fA1 TYR 241 HB2 -0.28 0.08 -0.32 -0.04 3.06 2.50 2z5fA1 TYR 241 HB3 0.00 0.02 0.13 -0.04 2.98 3.09 2z5fA1 TYR 241 HD2 -0.54 0.03 -0.08 -0.04 7.15 6.52 2z5fA1 TYR 241 HE2 -0.09 -0.02 -0.05 -0.04 6.85 6.65 2z5fA1 THR 242 H 0.04 0.11 -0.40 -0.55 8.28 7.47 2z5fA1 THR 242 HA -0.21 0.17 0.66 -0.75 4.39 4.25 2z5fA1 THR 242 HB -0.15 0.02 0.12 -0.04 4.32 4.27 2z5fA1 THR 242 HG23 -0.41 0.02 -0.02 -0.04 1.22 0.76 2z5fA1 HIS 243 H 0.20 -0.03 -0.29 -0.55 8.41 7.74 2z5fA1 HIS 243 HA -0.15 0.15 0.56 -0.75 4.63 4.43 2z5fA1 HIS 243 HB2 -0.86 0.02 0.10 -0.04 3.26 2.48 2z5fA1 HIS 243 HB3 -0.30 0.08 0.08 -0.04 3.20 3.03 2z5fA1 HIS 243 HD2 -0.60 0.04 -0.08 -0.04 6.97 6.29 2z5fA1 HIS 243 HE1 -0.46 -0.02 -0.05 -0.04 7.75 7.18 2z5fA1 LEU 244 H -0.18 0.20 -0.48 -0.55 8.37 7.36 2z5fA1 LEU 244 HA -0.31 0.13 0.60 -0.75 4.35 4.02 2z5fA1 LEU 244 HB2 0.02 0.13 0.07 -0.04 1.64 1.82 2z5fA1 LEU 244 HB3 -0.04 -0.00 0.04 -0.04 1.64 1.59 2z5fA1 LEU 244 HG -0.25 -0.10 -0.05 -0.04 1.64 1.20 2z5fA1 LEU 244 HD13 0.16 -0.01 -0.04 -0.04 0.93 1.01 2z5fA1 LEU 244 HD23 -0.24 0.01 -0.08 -0.04 0.89 0.54 2z5fA1 PRO 245 HA -0.02 0.08 0.44 -0.51 4.44 4.43 2z5fA1 PRO 245 HB2 -0.01 -0.17 -0.01 -0.04 2.28 2.05 2z5fA1 PRO 245 HB3 -0.01 0.05 0.12 -0.04 2.02 2.15 2z5fA1 PRO 245 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 2z5fA1 PRO 245 HG3 -0.02 0.14 0.11 -0.04 2.03 2.22 2z5fA1 PRO 245 HD2 -0.06 0.03 0.20 -0.04 3.68 3.81 2z5fA1 PRO 245 HD3 -0.10 0.24 0.22 -0.04 3.65 3.97 2z5fA1 THR 246 H 0.00 0.14 0.21 -0.55 8.28 8.08 2z5fA1 THR 246 HA 0.04 0.45 0.56 -0.75 4.39 4.68 2z5fA1 THR 246 HB 0.03 -0.01 0.16 -0.04 4.32 4.45 2z5fA1 THR 246 HG23 0.03 0.02 0.12 -0.04 1.22 1.35 2z5fA1 THR 247 H 0.00 0.00 -0.27 -0.55 8.28 7.46 2z5fA1 THR 247 HA -0.01 0.14 0.44 -0.75 4.39 4.21 2z5fA1 THR 247 HB 0.00 -0.05 0.04 -0.04 4.32 4.27 2z5fA1 THR 247 HG23 0.00 -0.01 -0.18 -0.04 1.22 1.00 2z5fA1 VAL 248 H -0.00 0.34 -0.49 -0.55 8.24 7.54 2z5fA1 VAL 248 HA -0.01 0.09 0.80 -0.75 4.13 4.25 2z5fA1 VAL 248 HB 0.00 0.12 0.07 -0.04 2.12 2.27 2z5fA1 VAL 248 HG13 0.04 -0.02 -0.09 -0.04 0.97 0.85 2z5fA1 VAL 248 HG23 0.02 -0.02 -0.08 -0.04 0.95 0.83 2z5fA1 MET 249 H -0.01 0.52 0.03 -0.55 8.47 8.47 2z5fA1 MET 249 HA -0.13 0.29 0.96 -0.75 4.52 4.89 2z5fA1 MET 249 HB2 0.03 0.03 0.06 -0.04 2.15 2.23 2z5fA1 MET 249 HB3 -0.29 -0.03 -0.11 -0.04 2.03 1.56 2z5fA1 MET 249 HG2 -0.16 0.04 -0.11 -0.04 2.63 2.36 2z5fA1 MET 249 HG3 -0.04 -0.09 -0.32 -0.04 2.56 2.08 2z5fA1 MET 249 HE3 0.02 -0.02 -0.06 -0.04 2.10 2.00 2z5fA1 ASP 250 H -0.10 0.97 0.27 -0.55 8.40 8.99 2z5fA1 ASP 250 HA 0.06 0.07 0.98 -0.75 4.63 4.98 2z5fA1 ASP 250 HB2 -0.00 0.17 0.08 -0.04 2.71 2.91 2z5fA1 ASP 250 HB3 -0.02 0.11 0.26 -0.04 2.70 3.00 2z5fA1 HIS 251 H 0.29 0.26 0.03 -0.55 8.41 8.45 2z5fA1 HIS 251 HA 0.04 0.31 0.27 -0.75 4.63 4.50 2z5fA1 HIS 251 HB2 0.04 0.02 0.03 -0.04 3.26 3.32 2z5fA1 HIS 251 HB3 0.06 -0.02 0.06 -0.04 3.20 3.26 2z5fA1 HIS 251 HD2 0.04 0.08 0.01 -0.04 6.97 7.06 2z5fA1 HIS 251 HE1 0.23 0.06 -0.07 -0.04 7.75 7.92 2z5fA1 SER 252 H 0.08 0.04 -0.44 -0.55 8.46 7.60 2z5fA1 SER 252 HA 0.06 0.10 0.48 -0.75 4.49 4.37 2z5fA1 SER 252 HB2 0.03 0.01 0.05 -0.04 3.95 4.01 2z5fA1 SER 252 HB3 0.04 -0.05 0.04 -0.04 3.93 3.93 2z5fA1 LYS 253 H 0.02 0.37 -0.26 -0.55 8.42 8.00 2z5fA1 LYS 253 HA 0.02 0.05 0.53 -0.75 4.32 4.17 2z5fA1 LYS 253 HB2 -0.03 0.07 -0.07 -0.04 1.87 1.80 2z5fA1 LYS 253 HB3 -0.01 -0.05 -0.13 -0.04 1.79 1.57 2z5fA1 LYS 253 HG2 0.00 -0.09 0.05 -0.04 1.46 1.38 2z5fA1 LYS 253 HG3 -0.00 0.20 0.06 -0.04 1.46 1.68 2z5fA1 LYS 253 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.67 2z5fA1 LYS 253 HD3 0.02 -0.03 -0.16 -0.04 1.68 1.48 2z5fA1 LYS 253 HE2 0.01 -0.05 -0.04 -0.04 2.99 2.87 2z5fA1 LYS 253 HE3 0.01 0.04 -0.00 -0.04 2.99 3.00 2z5fA1 SER 254 H -0.00 0.24 -0.10 -0.55 8.46 8.04 2z5fA1 SER 254 HA 0.03 0.10 0.31 -0.75 4.49 4.17 2z5fA1 SER 254 HB2 0.03 0.06 -0.09 -0.04 3.95 3.90 2z5fA1 SER 254 HB3 -0.02 -0.00 -0.07 -0.04 3.93 3.80 2z5fA1 PRO 255 HA 0.27 0.01 0.57 -0.51 4.44 4.78 2z5fA1 PRO 255 HB2 0.13 0.08 -0.31 -0.04 2.28 2.14 2z5fA1 PRO 255 HB3 0.15 0.02 0.05 -0.04 2.02 2.19 2z5fA1 PRO 255 HG2 0.06 0.06 0.03 -0.04 2.03 2.15 2z5fA1 PRO 255 HG3 0.08 0.06 0.03 -0.04 2.03 2.15 2z5fA1 PRO 255 HD2 0.02 0.02 0.11 -0.04 3.68 3.79 2z5fA1 PRO 255 HD3 0.05 0.19 0.01 -0.04 3.65 3.85 2z5fA1 PHE 256 H 0.59 0.15 0.09 -0.55 8.34 8.63 2z5fA1 PHE 256 HA 0.11 0.09 0.47 -0.75 4.62 4.54 2z5fA1 PHE 256 HB2 0.13 0.03 0.06 -0.04 3.15 3.33 2z5fA1 PHE 256 HB3 0.33 0.18 0.09 -0.04 3.06 3.62 2z5fA1 PHE 256 HD2 0.17 0.05 -0.21 -0.04 7.28 7.24 2z5fA1 PHE 256 HE2 0.03 -0.05 -0.08 -0.04 7.38 7.24 2z5fA1 PHE 256 HZ -0.02 -0.15 -0.05 -0.04 7.32 7.07 2z5fA1 MET 257 H 0.37 0.20 -0.09 -0.55 8.47 8.41 2z5fA1 MET 257 HA 0.24 -0.03 0.55 -0.75 4.52 4.52 2z5fA1 MET 257 HB2 0.00 0.08 0.15 -0.04 2.15 2.34 2z5fA1 MET 257 HB3 -0.25 -0.02 -0.03 -0.04 2.03 1.68 2z5fA1 MET 257 HG2 0.38 -0.03 0.00 -0.04 2.63 2.95 2z5fA1 MET 257 HG3 0.02 0.12 -0.04 -0.04 2.56 2.62 2z5fA1 MET 257 HE3 0.24 0.00 -0.22 -0.04 2.10 2.08 2z5fA1 ARG 258 H 0.09 0.06 0.03 -0.55 8.46 8.10 2z5fA1 ARG 258 HA 0.08 0.18 0.10 -0.75 4.34 3.95 2z5fA1 ARG 258 HB2 -0.05 0.31 -0.03 -0.04 1.90 2.09 2z5fA1 ARG 258 HB3 -0.09 -0.26 0.13 -0.04 1.80 1.54 2z5fA1 ARG 258 HG2 -0.15 -0.06 -0.22 -0.04 1.67 1.20 2z5fA1 ARG 258 HG3 -0.10 0.08 -0.04 -0.04 1.67 1.57 2z5fA1 ARG 258 HD2 -0.64 0.00 -0.04 -0.04 3.22 2.50 2z5fA1 ARG 258 HD3 -0.16 0.09 -0.04 -0.04 3.22 3.08 2z5fA1 LYS 259 H -0.11 -0.20 0.16 -0.55 8.42 7.71 2z5fA1 LYS 259 HA -0.17 0.29 0.80 -0.75 4.32 4.48 2z5fA1 LYS 259 HB2 -0.17 -0.13 0.06 -0.04 1.87 1.59 2z5fA1 LYS 259 HB3 -0.19 -0.04 -0.08 -0.04 1.79 1.44 2z5fA1 LYS 259 HG2 -0.10 0.12 -0.35 -0.04 1.46 1.08 2z5fA1 LYS 259 HG3 -0.10 -0.05 -0.08 -0.04 1.46 1.19 2z5fA1 LYS 259 HD2 -0.09 -0.07 -0.02 -0.04 1.69 1.46 2z5fA1 LYS 259 HD3 -0.10 0.05 0.06 -0.04 1.68 1.66 2z5fA1 LYS 259 HE2 -0.05 -0.04 -0.03 -0.04 2.99 2.84 2z5fA1 LYS 259 HE3 -0.05 0.00 -0.00 -0.04 2.99 2.90 2z5fA1 GLY 260 H -0.29 -0.04 0.16 -0.55 8.43 7.71 2z5fA1 GLY 260 HA2 -0.26 0.00 0.28 -0.51 4.01 3.53 2z5fA1 GLY 260 HA3 -1.32 0.11 0.26 -0.51 4.01 2.55 2z5fA1 THR 261 H -0.16 0.03 -0.06 -0.55 8.28 7.55 2z5fA1 THR 261 HA -0.05 0.21 0.78 -0.75 4.39 4.58 2z5fA1 THR 261 HB -0.17 -0.04 -0.23 -0.04 4.32 3.85 2z5fA1 THR 261 HG23 -0.06 -0.01 -0.29 -0.04 1.22 0.82 2z5fA1 ALA 262 H 0.07 0.28 0.15 -0.55 8.40 8.35 2z5fA1 ALA 262 HA 0.13 0.06 0.85 -0.75 4.34 4.63 2z5fA1 ALA 262 HB3 0.17 0.02 -0.01 -0.04 1.41 1.55 2z5fA1 GLY 263 H 0.18 0.07 0.15 -0.55 8.43 8.29 2z5fA1 GLY 263 HA2 0.02 0.22 0.45 -0.51 4.01 4.18 2z5fA1 GLY 263 HA3 -0.08 0.25 0.73 -0.51 4.01 4.40 2z5fA1 ASP 264 H -0.01 0.11 -0.20 -0.55 8.40 7.75 2z5fA1 ASP 264 HA -0.13 0.19 0.35 -0.75 4.63 4.28 2z5fA1 ASP 264 HB2 -0.07 0.03 -0.04 -0.04 2.71 2.59 2z5fA1 ASP 264 HB3 -0.02 -0.01 -0.01 -0.04 2.70 2.61 2z5fA1 TRP 265 H 0.13 -0.03 -0.36 -0.55 7.97 7.17 2z5fA1 TRP 265 HA -0.01 0.12 0.30 -0.75 4.62 4.28 2z5fA1 TRP 265 HB2 -0.51 0.06 -0.10 -0.04 3.23 2.64 2z5fA1 TRP 265 HB3 -0.25 -0.05 -0.36 -0.04 3.23 2.52 2z5fA1 TRP 265 HD1 -0.20 -0.20 0.06 -0.04 7.22 6.83 2z5fA1 TRP 265 HE1 -0.19 0.52 0.16 -0.04 10.20 10.65 2z5fA1 TRP 265 HE3 -1.22 -0.05 -0.25 -0.04 7.59 6.03 2z5fA1 TRP 265 HZ2 -0.20 0.01 -0.05 -0.04 7.44 7.17 2z5fA1 TRP 265 HZ3 -0.32 0.02 -0.08 -0.04 7.13 6.72 2z5fA1 TRP 265 HH2 -0.20 0.04 -0.04 -0.04 7.19 6.95 2z5fA1 LYS 266 H -1.03 0.39 -0.40 -0.55 8.42 6.82 2z5fA1 LYS 266 HA -0.83 0.04 0.40 -0.75 4.32 3.17 2z5fA1 LYS 266 HB2 -0.69 0.13 0.08 -0.04 1.87 1.35 2z5fA1 LYS 266 HB3 -0.61 0.03 0.06 -0.04 1.79 1.23 2z5fA1 LYS 266 HG2 -1.90 -0.03 0.01 -0.04 1.46 -0.51 2z5fA1 LYS 266 HG3 -2.40 -0.08 0.04 -0.04 1.46 -1.02 2z5fA1 LYS 266 HD2 -0.52 0.08 0.05 -0.04 1.69 1.26 2z5fA1 LYS 266 HD3 -0.46 0.01 0.01 -0.04 1.68 1.19 2z5fA1 LYS 266 HE2 -0.26 -0.04 -0.03 -0.04 2.99 2.62 2z5fA1 LYS 266 HE3 -0.24 -0.02 -0.02 -0.04 2.99 2.67 2z5fA1 ASN 267 H -0.27 0.34 -0.33 -0.55 8.53 7.73 2z5fA1 ASN 267 HA -0.32 0.10 0.47 -0.75 4.76 4.25 2z5fA1 ASN 267 HB2 -0.53 0.10 0.08 -0.04 2.88 2.49 2z5fA1 ASN 267 HB3 -0.62 0.00 0.11 -0.04 2.79 2.24 2z5fA1 ASN 267 HD21 -0.20 -0.01 -0.04 -0.04 7.03 6.74 2z5fA1 ASN 267 HD22 -0.25 0.04 -0.01 -0.04 7.74 7.48 2z5fA1 TYR 268 H -0.02 0.21 -0.50 -0.55 8.29 7.42 2z5fA1 TYR 268 HA -0.27 0.20 0.83 -0.75 4.56 4.57 2z5fA1 TYR 268 HB2 -0.49 -0.00 0.04 -0.04 3.06 2.56 2z5fA1 TYR 268 HB3 -1.49 -0.06 -0.04 -0.04 2.98 1.34 2z5fA1 TYR 268 HD2 -0.31 0.01 -0.02 -0.04 7.15 6.78 2z5fA1 TYR 268 HE2 -0.06 0.01 -0.04 -0.04 6.85 6.71 2z5fA1 PHE 269 H 0.49 0.41 0.16 -0.55 8.34 8.85 2z5fA1 PHE 269 HA 0.52 -0.04 0.43 -0.75 4.62 4.78 2z5fA1 PHE 269 HB2 0.38 0.03 0.07 -0.04 3.15 3.59 2z5fA1 PHE 269 HB3 0.30 0.06 -0.11 -0.04 3.06 3.26 2z5fA1 PHE 269 HD2 0.21 0.04 -0.04 -0.04 7.28 7.45 2z5fA1 PHE 269 HE2 -0.39 0.04 -0.01 -0.04 7.38 6.98 2z5fA1 PHE 269 HZ -0.59 0.01 0.01 -0.04 7.32 6.71 2z5fA1 THR 270 H 0.26 0.04 0.21 -0.55 8.28 8.24 2z5fA1 THR 270 HA 0.12 0.26 0.71 -0.75 4.39 4.73 2z5fA1 THR 270 HB 0.08 -0.02 0.19 -0.04 4.32 4.54 2z5fA1 THR 270 HG23 0.12 0.07 0.07 -0.04 1.22 1.43 2z5fA1 VAL 271 H 0.08 0.23 0.15 -0.55 8.24 8.16 2z5fA1 VAL 271 HA 0.14 0.12 0.56 -0.75 4.13 4.20 2z5fA1 VAL 271 HB 0.06 -0.01 0.13 -0.04 2.12 2.25 2z5fA1 VAL 271 HG13 0.06 0.02 -0.04 -0.04 0.97 0.96 2z5fA1 VAL 271 HG23 0.05 0.03 0.06 -0.04 0.95 1.05 2z5fA1 ALA 272 H 0.08 0.10 -0.10 -0.55 8.40 7.94 2z5fA1 ALA 272 HA 0.07 0.14 0.54 -0.75 4.34 4.33 2z5fA1 ALA 272 HB3 0.04 0.03 0.06 -0.04 1.41 1.50 2z5fA1 GLN 273 H 0.10 0.03 -0.16 -0.55 8.47 7.89 2z5fA1 GLN 273 HA 0.04 0.10 0.51 -0.75 4.36 4.26 2z5fA1 GLN 273 HB2 0.13 0.00 0.16 -0.04 2.15 2.41 2z5fA1 GLN 273 HB3 -0.10 0.05 -0.03 -0.04 2.02 1.89 2z5fA1 GLN 273 HG2 -0.13 0.08 0.05 -0.04 2.40 2.37 2z5fA1 GLN 273 HG3 0.00 -0.05 0.08 -0.04 2.39 2.38 2z5fA1 GLN 273 HE21 -0.58 0.01 -0.09 -0.04 6.97 6.27 2z5fA1 GLN 273 HE22 -0.35 0.05 0.03 -0.04 7.69 7.38 2z5fA1 ASN 274 H 0.26 0.55 -0.29 -0.55 8.53 8.50 2z5fA1 ASN 274 HA 0.42 -0.01 0.43 -0.75 4.76 4.85 2z5fA1 ASN 274 HB2 0.37 0.15 0.05 -0.04 2.88 3.41 2z5fA1 ASN 274 HB3 0.20 0.11 0.07 -0.04 2.79 3.14 2z5fA1 ASN 274 HD21 0.21 -0.02 -0.05 -0.04 7.03 7.13 2z5fA1 ASN 274 HD22 0.18 0.04 -0.05 -0.04 7.74 7.87 2z5fA1 GLU 275 H 0.14 0.49 -0.15 -0.55 8.60 8.54 2z5fA1 GLU 275 HA 0.10 0.04 0.45 -0.75 4.29 4.13 2z5fA1 GLU 275 HB2 0.08 0.05 0.19 -0.04 2.09 2.37 2z5fA1 GLU 275 HB3 0.06 -0.01 0.02 -0.04 1.99 2.03 2z5fA1 GLU 275 HG2 0.07 -0.02 0.04 -0.04 2.34 2.39 2z5fA1 GLU 275 HG3 0.08 0.08 0.07 -0.04 2.34 2.54 2z5fA1 LYS 276 H 0.11 0.45 -0.16 -0.55 8.42 8.27 2z5fA1 LYS 276 HA 0.06 0.04 0.36 -0.75 4.32 4.03 2z5fA1 LYS 276 HB2 0.05 0.03 0.12 -0.04 1.87 2.03 2z5fA1 LYS 276 HB3 0.08 0.07 0.15 -0.04 1.79 2.05 2z5fA1 LYS 276 HG2 0.02 -0.03 -0.10 -0.04 1.46 1.31 2z5fA1 LYS 276 HG3 0.01 -0.00 0.02 -0.04 1.46 1.45 2z5fA1 LYS 276 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 2z5fA1 LYS 276 HD3 -0.00 0.00 -0.06 -0.04 1.68 1.58 2z5fA1 LYS 276 HE2 -0.04 0.01 -0.02 -0.04 2.99 2.90 2z5fA1 LYS 276 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.90 2z5fA1 PHE 277 H 0.30 0.63 -0.08 -0.55 8.34 8.63 2z5fA1 PHE 277 HA 0.12 0.02 0.45 -0.75 4.62 4.46 2z5fA1 PHE 277 HB2 0.18 0.11 0.13 -0.04 3.15 3.53 2z5fA1 PHE 277 HB3 0.19 0.06 0.16 -0.04 3.06 3.42 2z5fA1 PHE 277 HD2 0.06 0.05 -0.20 -0.04 7.28 7.15 2z5fA1 PHE 277 HE2 -0.06 -0.00 -0.07 -0.04 7.38 7.20 2z5fA1 PHE 277 HZ -0.20 -0.09 -0.23 -0.04 7.32 6.76 2z5fA1 ASP 278 H 0.26 0.67 -0.14 -0.55 8.40 8.65 2z5fA1 ASP 278 HA 0.21 -0.07 0.34 -0.75 4.63 4.35 2z5fA1 ASP 278 HB2 0.11 0.14 0.18 -0.04 2.71 3.09 2z5fA1 ASP 278 HB3 0.08 -0.03 0.02 -0.04 2.70 2.73 2z5fA1 ALA 279 H 0.10 0.44 -0.27 -0.55 8.40 8.12 2z5fA1 ALA 279 HA 0.05 0.00 0.40 -0.75 4.34 4.04 2z5fA1 ALA 279 HB3 0.03 0.02 0.13 -0.04 1.41 1.55 2z5fA1 ILE 280 H -0.01 0.51 0.02 -0.55 8.25 8.22 2z5fA1 ILE 280 HA -0.13 0.03 0.55 -0.75 4.18 3.88 2z5fA1 ILE 280 HB -0.15 0.07 0.20 -0.04 1.89 1.96 2z5fA1 ILE 280 HG12 -0.10 -0.01 0.05 -0.04 1.49 1.39 2z5fA1 ILE 280 HG13 -0.06 -0.02 0.08 -0.04 1.21 1.17 2z5fA1 ILE 280 HG23 -0.36 -0.00 -0.06 -0.04 0.93 0.47 2z5fA1 ILE 280 HD13 -0.05 0.00 -0.03 -0.04 0.88 0.76 2z5fA1 TYR 281 H 0.05 0.66 -0.02 -0.55 8.29 8.44 2z5fA1 TYR 281 HA -0.13 -0.03 0.47 -0.75 4.56 4.11 2z5fA1 TYR 281 HB2 0.08 0.05 0.08 -0.04 3.06 3.23 2z5fA1 TYR 281 HB3 0.10 0.13 0.11 -0.04 2.98 3.28 2z5fA1 TYR 281 HD2 0.23 0.04 -0.16 -0.04 7.15 7.22 2z5fA1 TYR 281 HE2 0.01 -0.02 -0.04 -0.04 6.85 6.76 2z5fA1 GLU 282 H 0.13 0.58 -0.16 -0.55 8.60 8.61 2z5fA1 GLU 282 HA 0.12 -0.02 0.38 -0.75 4.29 4.02 2z5fA1 GLU 282 HB2 0.10 0.11 0.17 -0.04 2.09 2.44 2z5fA1 GLU 282 HB3 0.04 0.07 0.15 -0.04 1.99 2.21 2z5fA1 GLU 282 HG2 0.08 -0.03 0.08 -0.04 2.34 2.43 2z5fA1 GLU 282 HG3 0.06 -0.02 0.03 -0.04 2.34 2.37 2z5fA1 THR 283 H -0.05 0.45 -0.06 -0.55 8.28 8.07 2z5fA1 THR 283 HA -0.06 0.00 0.46 -0.75 4.39 4.04 2z5fA1 THR 283 HB -0.15 0.13 0.20 -0.04 4.32 4.46 2z5fA1 THR 283 HG23 -0.09 -0.02 -0.06 -0.04 1.22 1.01 2z5fA1 GLU 284 H -0.29 0.53 -0.12 -0.55 8.60 8.17 2z5fA1 GLU 284 HA -0.20 0.05 0.52 -0.75 4.29 3.90 2z5fA1 GLU 284 HB2 -0.74 0.07 0.18 -0.04 2.09 1.56 2z5fA1 GLU 284 HB3 -0.34 -0.12 0.02 -0.04 1.99 1.51 2z5fA1 GLU 284 HG2 -0.68 0.12 0.06 -0.04 2.34 1.80 2z5fA1 GLU 284 HG3 -1.79 -0.11 0.03 -0.04 2.34 0.43 2z5fA1 MET 285 H -0.16 0.44 -0.10 -0.55 8.47 8.09 2z5fA1 MET 285 HA -0.08 0.17 0.78 -0.75 4.52 4.64 2z5fA1 MET 285 HB2 -0.24 0.07 -0.03 -0.04 2.15 1.91 2z5fA1 MET 285 HB3 -0.05 -0.05 0.05 -0.04 2.03 1.95 2z5fA1 MET 285 HG2 -0.45 0.07 -0.00 -0.04 2.63 2.20 2z5fA1 MET 285 HG3 -0.98 -0.12 -0.02 -0.04 2.56 1.39 2z5fA1 MET 285 HE3 0.12 -0.02 -0.03 -0.04 2.10 2.13 2z5fA1 SER 286 H -0.03 0.53 0.13 -0.55 8.46 8.54 2z5fA1 SER 286 HA 0.04 0.02 0.31 -0.75 4.49 4.11 2z5fA1 SER 286 HB2 0.02 -0.05 0.10 -0.04 3.95 3.98 2z5fA1 SER 286 HB3 0.02 0.05 0.21 -0.04 3.93 4.18 2z5fA1 LYS 287 H -0.02 0.08 -0.21 -0.55 8.42 7.71 2z5fA1 LYS 287 HA -0.01 0.10 0.47 -0.75 4.32 4.13 2z5fA1 LYS 287 HB2 -0.02 0.03 -0.01 -0.04 1.87 1.83 2z5fA1 LYS 287 HB3 -0.01 -0.01 0.09 -0.04 1.79 1.82 2z5fA1 LYS 287 HG2 -0.01 0.01 -0.02 -0.04 1.46 1.40 2z5fA1 LYS 287 HG3 -0.02 -0.04 0.01 -0.04 1.46 1.37 2z5fA1 LYS 287 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 2z5fA1 LYS 287 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.61 2z5fA1 LYS 287 HE2 -0.03 0.07 0.02 -0.04 2.99 3.01 2z5fA1 LYS 287 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 2z5fA1 THR 288 H -0.04 0.30 -0.34 -0.55 8.28 7.64 2z5fA1 THR 288 HA -0.06 0.12 0.72 -0.75 4.39 4.42 2z5fA1 THR 288 HB -0.25 -0.10 0.14 -0.04 4.32 4.07 2z5fA1 THR 288 HG23 -0.05 -0.01 0.04 -0.04 1.22 1.16 2z5fA1 ALA 289 H -0.29 0.11 0.13 -0.55 8.40 7.80 2z5fA1 ALA 289 HA -0.11 0.22 0.57 -0.75 4.34 4.27 2z5fA1 ALA 289 HB3 0.02 0.00 0.08 -0.04 1.41 1.47 2z5fA1 LEU 290 H -0.47 0.00 -0.33 -0.55 8.37 7.02 2z5fA1 LEU 290 HA -0.62 0.07 0.58 -0.75 4.35 3.62 2z5fA1 LEU 290 HB2 -0.05 0.04 0.01 -0.04 1.64 1.60 2z5fA1 LEU 290 HB3 0.16 -0.09 -0.06 -0.04 1.64 1.61 2z5fA1 LEU 290 HG -1.59 -0.04 -0.08 -0.04 1.64 -0.11 2z5fA1 LEU 290 HD13 -0.18 0.01 -0.08 -0.04 0.93 0.64 2z5fA1 LEU 290 HD23 -0.40 0.01 -0.07 -0.04 0.89 0.38 2z5fA1 GLN 291 H -0.12 0.13 0.00 -0.55 8.47 7.93 2z5fA1 GLN 291 HA 0.06 0.18 0.72 -0.75 4.36 4.57 2z5fA1 GLN 291 HB2 -0.11 -0.03 0.12 -0.04 2.15 2.09 2z5fA1 GLN 291 HB3 -0.05 -0.02 0.02 -0.04 2.02 1.93 2z5fA1 GLN 291 HG2 -0.06 0.14 -0.37 -0.04 2.40 2.08 2z5fA1 GLN 291 HG3 -0.02 -0.05 -0.06 -0.04 2.39 2.22 2z5fA1 GLN 291 HE21 0.01 0.03 -0.01 -0.04 6.97 6.95 2z5fA1 GLN 291 HE22 -0.02 -0.02 -0.10 -0.04 7.69 7.51 2z5fA1 PHE 292 H 0.42 0.17 -0.03 -0.55 8.34 8.36 2z5fA1 PHE 292 HA -0.10 0.07 0.55 -0.75 4.62 4.39 2z5fA1 PHE 292 HB2 0.23 0.03 0.02 -0.04 3.15 3.39 2z5fA1 PHE 292 HB3 0.12 -0.05 -0.03 -0.04 3.06 3.06 2z5fA1 PHE 292 HD2 0.44 -0.02 -0.14 -0.04 7.28 7.51 2z5fA1 PHE 292 HE2 0.45 -0.01 -0.33 -0.04 7.38 7.45 2z5fA1 PHE 292 HZ 0.43 0.06 -0.12 -0.04 7.32 7.65 2z5fA1 ARG 293 H 0.04 0.11 0.22 -0.55 8.46 8.28 2z5fA1 ARG 293 HA 0.03 0.18 0.74 -0.75 4.34 4.54 2z5fA1 ARG 293 HB2 0.02 -0.10 0.18 -0.04 1.90 1.95 2z5fA1 ARG 293 HB3 0.06 0.08 -0.03 -0.04 1.80 1.87 2z5fA1 ARG 293 HG2 0.00 0.05 0.09 -0.04 1.67 1.77 2z5fA1 ARG 293 HG3 -0.05 0.06 0.00 -0.04 1.67 1.64 2z5fA1 ARG 293 HD2 0.04 0.17 0.07 -0.04 3.22 3.46 2z5fA1 ARG 293 HD3 0.01 0.03 0.04 -0.04 3.22 3.26 2z5fA1 THR 294 H 0.04 0.25 0.12 -0.55 8.28 8.14 2z5fA1 THR 294 HA 0.01 0.06 0.84 -0.75 4.39 4.55 2z5fA1 THR 294 HB -0.20 -0.07 0.15 -0.04 4.32 4.16 2z5fA1 THR 294 HG23 -0.45 -0.01 -0.10 -0.04 1.22 0.62 2z5fA1 GLU 295 H 0.10 0.29 0.02 -0.55 8.60 8.47 2z5fA1 GLU 295 HA 0.11 0.02 0.23 -0.75 4.29 3.90 2z5fA1 GLU 295 HB2 0.02 0.12 0.06 -0.04 2.09 2.25 2z5fA1 GLU 295 HB3 0.09 0.05 -0.08 -0.04 1.99 2.00 2z5fA1 GLU 295 HG2 0.09 -0.15 -0.12 -0.04 2.34 2.13 2z5fA1 GLU 295 HG3 0.05 0.04 -0.26 -0.04 2.34 2.12 2z5fA1 ILE 296 H 0.04 0.24 -0.00 -0.55 8.25 7.98 2z5fA1 ILE 296 HA 0.04 0.27 0.77 -0.75 4.18 4.51 2z5fA1 ILE 296 HB 0.04 0.09 0.06 -0.04 1.89 2.04 2z5fA1 ILE 296 HG12 0.05 -0.08 0.06 -0.04 1.49 1.48 2z5fA1 ILE 296 HG13 0.03 0.07 0.05 -0.04 1.21 1.33 2z5fA1 ILE 296 HG23 0.09 0.00 -0.19 -0.04 0.93 0.79 2z5fA1 ILE 296 HD13 0.06 0.02 -0.06 -0.04 0.88 0.86