============================================================================= 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. TYR 9 0.840 2.413 30.459 24.281 -99.200 -91.000 TRP 20 1.040 13.072 40.990 14.824 -99.200 -91.000 TRP6 20 1.020 13.063 38.637 14.591 -99.200 -91.000 PHE 23 1.000 15.395 37.665 9.773 -99.200 -91.000 PHE 41 1.000 5.601 42.171 14.660 -99.200 -91.000 TYR 42 0.840 -0.344 38.493 18.455 -99.200 -91.000 TYR 47 0.840 -5.653 25.559 8.841 -99.200 -91.000 TRP 48 1.040 -1.482 25.879 16.701 -99.200 -91.000 TRP6 48 1.020 -0.536 25.807 18.870 -99.200 -91.000 HIS 49 0.900 -4.147 35.179 17.235 -99.200 -91.000 HIS 50 0.900 -0.112 33.908 19.248 -99.200 -91.000 HIS 55 0.900 5.419 40.525 24.074 -99.200 -91.000 HIS 56 0.900 5.810 46.968 18.607 -99.200 -91.000 TYR 64 0.840 5.852 35.075 26.102 -99.200 -91.000 TRP 67 1.040 8.188 24.506 27.209 -99.200 -91.000 TRP6 67 1.020 9.227 23.463 25.355 -99.200 -91.000 PHE 75 1.000 -2.665 24.518 33.724 -99.200 -91.000 TYR 87 0.840 11.688 22.121 39.792 -99.200 -91.000 PHE 119 1.000 0.039 26.374 25.316 -99.200 -91.000 TRP 120 1.040 -6.035 23.727 29.996 -99.200 -91.000 TRP6 120 1.020 -8.165 23.560 28.983 -99.200 -91.000 PHE 130 1.000 2.091 30.167 6.622 -99.200 -91.000 HIS 131 0.900 -1.707 34.626 1.499 -99.200 -91.000 HIS 137 0.900 9.208 26.608 -4.718 -99.200 -91.000 PHE 140 1.000 7.425 28.215 7.936 -99.200 -91.000 HIS 149 0.900 16.073 22.806 17.132 -99.200 -91.000 HIS 161 0.900 18.127 14.826 32.036 -99.200 -91.000 PHE 163 1.000 11.543 23.425 34.514 -99.200 -91.000 TYR 164 0.840 13.558 22.381 29.941 -99.200 -91.000 PHE 169 1.000 10.436 19.081 27.085 -99.200 -91.000 TYR 175 0.840 25.580 16.540 18.052 -99.200 -91.000 PHE 189 1.000 21.438 18.583 20.767 -99.200 -91.000 HIS 191 0.900 12.998 12.353 22.639 -99.200 -91.000 HIS 197 0.900 17.265 18.780 18.082 -99.200 -91.000 PHE 201 1.000 19.152 21.520 28.490 -99.200 -91.000 HIS 212 0.900 20.000 26.787 17.469 -99.200 -91.000 TYR 217 0.840 11.557 27.321 5.099 -99.200 -91.000 HIS 219 0.900 7.026 21.369 -0.557 -99.200 -91.000 TYR 225 0.840 13.470 32.858 -2.924 -99.200 -91.000 HIS 227 0.900 22.635 28.829 1.870 -99.200 -91.000 PHE 230 1.000 19.016 34.412 6.570 -99.200 -91.000 HIS 244 0.900 22.144 20.120 13.227 -99.200 -91.000 PHE 252 1.000 20.539 29.386 6.158 -99.200 -91.000 TYR 253 0.840 22.774 26.416 13.443 -99.200 -91.000 TRP 260 1.040 17.262 36.197 19.137 -99.200 -91.000 TRP6 260 1.020 15.812 34.962 17.731 -99.200 -91.000 TRP 266 1.040 13.144 19.503 3.263 -99.200 -91.000 TRP6 266 1.020 14.564 18.004 2.113 -99.200 -91.000 TYR 277 0.840 29.437 9.479 22.714 -99.200 -91.000 TYR 278 0.840 24.846 11.421 16.953 -99.200 -91.000 PHE 283 1.000 27.342 16.373 4.547 -99.200 -91.000 HIS 285 0.900 24.921 22.163 10.460 -99.200 -91.000 TYR 292 0.840 26.308 36.827 14.285 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ehzA1 GLN 4 HA -0.03 -0.12 0.19 -0.75 4.36 3.65 2ehzA1 GLN 4 HB2 -0.03 0.02 -0.02 -0.04 2.15 2.08 2ehzA1 GLN 4 HB3 -0.03 0.08 -0.04 -0.04 2.02 1.98 2ehzA1 GLN 4 HG2 -0.02 -0.04 0.03 -0.04 2.40 2.33 2ehzA1 GLN 4 HG3 -0.02 -0.04 0.03 -0.04 2.39 2.32 2ehzA1 GLN 4 HE21 -0.01 0.00 -0.00 -0.04 6.97 6.92 2ehzA1 GLN 4 HE22 -0.02 -0.03 0.01 -0.04 7.69 7.61 2ehzA1 ALA 5 H -0.04 0.03 0.07 -0.55 8.40 7.92 2ehzA1 ALA 5 HA -0.04 -0.04 0.52 -0.75 4.34 4.02 2ehzA1 ALA 5 HB3 -0.04 -0.01 0.10 -0.04 1.41 1.43 2ehzA1 ALA 6 H -0.04 0.08 0.26 -0.55 8.40 8.15 2ehzA1 ALA 6 HA -0.09 0.22 0.66 -0.75 4.34 4.38 2ehzA1 ALA 6 HB3 -0.10 0.05 -0.01 -0.04 1.41 1.30 2ehzA1 VAL 7 H -0.14 0.76 0.33 -0.55 8.24 8.64 2ehzA1 VAL 7 HA -0.02 0.08 0.73 -0.75 4.13 4.16 2ehzA1 VAL 7 HB -0.35 0.09 0.07 -0.04 2.12 1.88 2ehzA1 VAL 7 HG13 -0.00 -0.03 -0.15 -0.04 0.97 0.75 2ehzA1 VAL 7 HG23 0.01 -0.01 -0.01 -0.04 0.95 0.90 2ehzA1 ILE 8 H 0.01 0.62 0.42 -0.55 8.25 8.75 2ehzA1 ILE 8 HA -0.07 0.44 1.05 -0.75 4.18 4.84 2ehzA1 ILE 8 HB 0.02 -0.03 0.11 -0.04 1.89 1.95 2ehzA1 ILE 8 HG12 0.02 0.02 -0.22 -0.04 1.49 1.27 2ehzA1 ILE 8 HG13 0.07 -0.01 -0.22 -0.04 1.21 1.00 2ehzA1 ILE 8 HG23 -0.02 0.04 -0.04 -0.04 0.93 0.87 2ehzA1 ILE 8 HD13 0.06 -0.03 -0.14 -0.04 0.88 0.73 2ehzA1 GLU 9 H 0.14 0.21 0.25 -0.55 8.60 8.64 2ehzA1 GLU 9 HA 0.15 0.11 0.17 -0.75 4.29 3.96 2ehzA1 GLU 9 HB2 0.05 -0.01 -0.08 -0.04 2.09 2.01 2ehzA1 GLU 9 HB3 0.08 0.27 -0.06 -0.04 1.99 2.24 2ehzA1 GLU 9 HG2 0.16 -0.05 -0.20 -0.04 2.34 2.20 2ehzA1 GLU 9 HG3 0.18 -0.13 -0.32 -0.04 2.34 2.03 2ehzA1 LEU 10 H 0.21 0.25 0.09 -0.55 8.37 8.37 2ehzA1 LEU 10 HA -0.39 0.11 0.82 -0.75 4.35 4.14 2ehzA1 LEU 10 HB2 -0.16 0.04 0.15 -0.04 1.64 1.62 2ehzA1 LEU 10 HB3 -0.08 -0.01 0.27 -0.04 1.64 1.78 2ehzA1 LEU 10 HG -0.32 -0.03 -0.23 -0.04 1.64 1.02 2ehzA1 LEU 10 HD13 -1.18 0.03 -0.00 -0.04 0.93 -0.27 2ehzA1 LEU 10 HD23 -0.20 0.02 -0.13 -0.04 0.89 0.54 2ehzA1 GLY 11 H 0.00 0.57 0.40 -0.55 8.43 8.86 2ehzA1 GLY 11 HA2 -0.09 0.01 0.43 -0.51 4.01 3.85 2ehzA1 GLY 11 HA3 0.62 -0.01 0.30 -0.51 4.01 4.41 2ehzA1 TYR 12 H -0.26 0.38 0.32 -0.55 8.29 8.17 2ehzA1 TYR 12 HA -0.02 0.32 0.80 -0.75 4.56 4.91 2ehzA1 TYR 12 HB2 0.17 0.01 -0.00 -0.04 3.06 3.20 2ehzA1 TYR 12 HB3 0.11 0.08 -0.12 -0.04 2.98 3.02 2ehzA1 TYR 12 HD2 -0.03 -0.00 -0.34 -0.04 7.15 6.74 2ehzA1 TYR 12 HE2 -0.75 -0.02 -0.24 -0.04 6.85 5.80 2ehzA1 MET 13 H 0.20 0.61 0.40 -0.55 8.47 9.14 2ehzA1 MET 13 HA 0.03 0.10 0.64 -0.75 4.52 4.54 2ehzA1 MET 13 HB2 -0.19 0.08 0.22 -0.04 2.15 2.22 2ehzA1 MET 13 HB3 -0.18 0.01 -0.02 -0.04 2.03 1.80 2ehzA1 MET 13 HG2 -0.06 0.08 0.01 -0.04 2.63 2.63 2ehzA1 MET 13 HG3 -0.12 -0.06 -0.22 -0.04 2.56 2.12 2ehzA1 MET 13 HE3 -0.27 -0.01 -0.13 -0.04 2.10 1.66 2ehzA1 GLY 14 H -0.51 0.69 0.41 -0.55 8.43 8.47 2ehzA1 GLY 14 HA2 -0.30 0.25 1.12 -0.51 4.01 4.57 2ehzA1 GLY 14 HA3 -1.36 0.01 0.38 -0.51 4.01 2.54 2ehzA1 ILE 15 H -0.22 0.78 0.45 -0.55 8.25 8.70 2ehzA1 ILE 15 HA -0.19 0.05 0.95 -0.75 4.18 4.23 2ehzA1 ILE 15 HB -0.04 0.06 -0.03 -0.04 1.89 1.83 2ehzA1 ILE 15 HG12 -0.30 0.08 -0.02 -0.04 1.49 1.21 2ehzA1 ILE 15 HG13 -0.39 -0.07 -0.20 -0.04 1.21 0.52 2ehzA1 ILE 15 HG23 -0.17 -0.02 -0.23 -0.04 0.93 0.47 2ehzA1 ILE 15 HD13 -0.67 -0.01 -0.18 -0.04 0.88 -0.01 2ehzA1 SER 16 H -0.05 0.64 0.30 -0.55 8.46 8.80 2ehzA1 SER 16 HA -0.03 0.34 1.00 -0.75 4.49 5.04 2ehzA1 SER 16 HB2 0.01 0.14 0.04 -0.04 3.95 4.09 2ehzA1 SER 16 HB3 -0.04 0.00 0.01 -0.04 3.93 3.86 2ehzA1 VAL 17 H -0.03 0.81 0.24 -0.55 8.24 8.71 2ehzA1 VAL 17 HA 0.03 0.11 0.90 -0.75 4.13 4.41 2ehzA1 VAL 17 HB 0.07 -0.10 -0.10 -0.04 2.12 1.94 2ehzA1 VAL 17 HG13 -0.88 0.02 -0.35 -0.04 0.97 -0.27 2ehzA1 VAL 17 HG23 -0.06 0.06 -0.31 -0.04 0.95 0.60 2ehzA1 LYS 18 H 0.10 0.21 0.07 -0.55 8.42 8.25 2ehzA1 LYS 18 HA 0.04 0.10 0.78 -0.75 4.32 4.49 2ehzA1 LYS 18 HB2 0.06 0.03 0.05 -0.04 1.87 1.97 2ehzA1 LYS 18 HB3 0.04 0.04 0.07 -0.04 1.79 1.90 2ehzA1 LYS 18 HG2 0.04 0.17 -0.08 -0.04 1.46 1.56 2ehzA1 LYS 18 HG3 0.06 -0.14 -0.22 -0.04 1.46 1.12 2ehzA1 LYS 18 HD2 0.04 0.01 -0.03 -0.04 1.69 1.67 2ehzA1 LYS 18 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 2ehzA1 LYS 18 HE2 0.04 0.10 0.00 -0.04 2.99 3.09 2ehzA1 LYS 18 HE3 0.05 -0.01 -0.15 -0.04 2.99 2.84 2ehzA1 ASP 19 H 0.17 0.04 -0.17 -0.55 8.40 7.89 2ehzA1 ASP 19 HA 0.04 0.29 0.93 -0.75 4.63 5.13 2ehzA1 ASP 19 HB2 0.05 0.12 -0.11 -0.04 2.71 2.72 2ehzA1 ASP 19 HB3 0.09 -0.01 0.14 -0.04 2.70 2.88 2ehzA1 PRO 20 HA 0.28 0.07 0.33 -0.51 4.44 4.61 2ehzA1 PRO 20 HB2 -0.13 0.08 -0.10 -0.04 2.28 2.09 2ehzA1 PRO 20 HB3 -0.15 0.09 -0.05 -0.04 2.02 1.87 2ehzA1 PRO 20 HG2 -0.25 0.07 0.04 -0.04 2.03 1.86 2ehzA1 PRO 20 HG3 -0.68 0.06 -0.01 -0.04 2.03 1.37 2ehzA1 PRO 20 HD2 -0.04 0.19 0.13 -0.04 3.68 3.91 2ehzA1 PRO 20 HD3 -0.05 0.16 -0.35 -0.04 3.65 3.37 2ehzA1 ASP 21 H 0.01 0.17 -0.15 -0.55 8.40 7.88 2ehzA1 ASP 21 HA -0.03 0.11 0.42 -0.75 4.63 4.37 2ehzA1 ASP 21 HB2 -0.00 -0.02 0.06 -0.04 2.71 2.71 2ehzA1 ASP 21 HB3 -0.01 0.07 -0.02 -0.04 2.70 2.69 2ehzA1 ALA 22 H 0.05 0.09 -0.23 -0.55 8.40 7.77 2ehzA1 ALA 22 HA -0.01 0.10 0.47 -0.75 4.34 4.14 2ehzA1 ALA 22 HB3 -0.06 0.04 0.07 -0.04 1.41 1.43 2ehzA1 TRP 23 H 0.30 0.39 -0.26 -0.55 7.97 7.86 2ehzA1 TRP 23 HA 0.12 0.03 0.47 -0.75 4.62 4.48 2ehzA1 TRP 23 HB2 0.16 0.06 0.08 -0.04 3.23 3.49 2ehzA1 TRP 23 HB3 0.31 0.02 -0.10 -0.04 3.23 3.41 2ehzA1 TRP 23 HD1 -0.03 0.02 -0.13 -0.04 7.22 7.05 2ehzA1 TRP 23 HE1 -0.17 -0.04 -0.16 -0.04 10.20 9.79 2ehzA1 TRP 23 HE3 0.24 0.00 -0.05 -0.04 7.59 7.74 2ehzA1 TRP 23 HZ2 -0.74 -0.06 -0.10 -0.04 7.44 6.50 2ehzA1 TRP 23 HZ3 0.26 0.04 -0.10 -0.04 7.13 7.29 2ehzA1 TRP 23 HH2 -0.25 0.05 -0.12 -0.04 7.19 6.83 2ehzA1 LYS 24 H 0.18 0.48 -0.13 -0.55 8.42 8.40 2ehzA1 LYS 24 HA 0.17 0.02 0.43 -0.75 4.32 4.19 2ehzA1 LYS 24 HB2 -0.06 0.09 0.16 -0.04 1.87 2.02 2ehzA1 LYS 24 HB3 -0.08 0.00 0.01 -0.04 1.79 1.68 2ehzA1 LYS 24 HG2 -0.71 -0.03 -0.02 -0.04 1.46 0.66 2ehzA1 LYS 24 HG3 -0.49 0.15 0.02 -0.04 1.46 1.09 2ehzA1 LYS 24 HD2 -0.25 -0.03 -0.05 -0.04 1.69 1.32 2ehzA1 LYS 24 HD3 -0.29 0.02 -0.03 -0.04 1.68 1.34 2ehzA1 LYS 24 HE2 -1.01 -0.02 -0.07 -0.04 2.99 1.85 2ehzA1 LYS 24 HE3 -1.14 -0.02 -0.12 -0.04 2.99 1.67 2ehzA1 SER 25 H 0.05 0.44 -0.12 -0.55 8.46 8.28 2ehzA1 SER 25 HA 0.02 0.06 0.46 -0.75 4.49 4.27 2ehzA1 SER 25 HB2 0.00 0.00 0.14 -0.04 3.95 4.06 2ehzA1 SER 25 HB3 -0.01 -0.00 0.03 -0.04 3.93 3.91 2ehzA1 PHE 26 H 0.11 0.58 -0.11 -0.55 8.34 8.36 2ehzA1 PHE 26 HA -0.16 0.03 0.48 -0.75 4.62 4.21 2ehzA1 PHE 26 HB2 -0.36 0.05 0.12 -0.04 3.15 2.92 2ehzA1 PHE 26 HB3 -0.41 0.01 0.18 -0.04 3.06 2.80 2ehzA1 PHE 26 HD2 -0.50 0.01 -0.05 -0.04 7.28 6.69 2ehzA1 PHE 26 HE2 -0.33 0.04 -0.04 -0.04 7.38 7.00 2ehzA1 PHE 26 HZ 0.10 0.05 -0.09 -0.04 7.32 7.34 2ehzA1 ALA 27 H 0.25 0.67 -0.11 -0.55 8.40 8.66 2ehzA1 ALA 27 HA 0.05 -0.01 0.29 -0.75 4.34 3.91 2ehzA1 ALA 27 HB3 0.37 -0.00 0.02 -0.04 1.41 1.76 2ehzA1 THR 28 H 0.07 0.47 -0.23 -0.55 8.28 8.05 2ehzA1 THR 28 HA 0.09 0.17 0.52 -0.75 4.39 4.41 2ehzA1 THR 28 HB 0.02 0.19 0.07 -0.04 4.32 4.56 2ehzA1 THR 28 HG23 0.07 0.02 0.10 -0.04 1.22 1.36 2ehzA1 ASP 29 H -0.02 0.56 0.06 -0.55 8.40 8.45 2ehzA1 ASP 29 HA 0.01 0.09 0.33 -0.75 4.63 4.31 2ehzA1 ASP 29 HB2 -0.05 0.07 0.13 -0.04 2.71 2.82 2ehzA1 ASP 29 HB3 -0.02 -0.04 0.01 -0.04 2.70 2.61 2ehzA1 MET 30 H -0.19 0.39 0.03 -0.55 8.47 8.16 2ehzA1 MET 30 HA -0.09 0.09 0.51 -0.75 4.52 4.28 2ehzA1 MET 30 HB2 -0.94 0.14 0.11 -0.04 2.15 1.42 2ehzA1 MET 30 HB3 -0.53 -0.04 0.03 -0.04 2.03 1.44 2ehzA1 MET 30 HG2 -0.25 -0.02 0.07 -0.04 2.63 2.38 2ehzA1 MET 30 HG3 -0.37 -0.04 0.01 -0.04 2.56 2.12 2ehzA1 MET 30 HE3 -0.10 0.01 -0.22 -0.04 2.10 1.75 2ehzA1 LEU 31 H -0.06 0.18 -0.27 -0.55 8.37 7.67 2ehzA1 LEU 31 HA 0.27 0.20 0.94 -0.75 4.35 5.00 2ehzA1 LEU 31 HB2 0.09 0.13 0.11 -0.04 1.64 1.93 2ehzA1 LEU 31 HB3 0.21 -0.07 0.02 -0.04 1.64 1.76 2ehzA1 LEU 31 HG -0.45 0.03 -0.21 -0.04 1.64 0.98 2ehzA1 LEU 31 HD13 0.13 -0.03 -0.09 -0.04 0.93 0.90 2ehzA1 LEU 31 HD23 0.18 0.04 -0.16 -0.04 0.89 0.90 2ehzA1 GLY 32 H 0.12 0.29 -0.06 -0.55 8.43 8.23 2ehzA1 GLY 32 HA2 0.13 0.08 0.36 -0.51 4.01 4.07 2ehzA1 GLY 32 HA3 0.26 0.06 0.59 -0.51 4.01 4.41 2ehzA1 LEU 33 H 0.24 0.31 -0.07 -0.55 8.37 8.31 2ehzA1 LEU 33 HA 0.40 0.13 0.59 -0.75 4.35 4.71 2ehzA1 LEU 33 HB2 0.19 -0.04 -0.08 -0.04 1.64 1.67 2ehzA1 LEU 33 HB3 0.16 -0.01 0.01 -0.04 1.64 1.77 2ehzA1 LEU 33 HG 0.14 0.02 -0.09 -0.04 1.64 1.67 2ehzA1 LEU 33 HD13 0.14 -0.03 -0.07 -0.04 0.93 0.93 2ehzA1 LEU 33 HD23 -0.37 0.00 -0.08 -0.04 0.89 0.39 2ehzA1 GLN 34 H 0.38 0.47 0.27 -0.55 8.47 9.04 2ehzA1 GLN 34 HA 0.10 0.17 0.85 -0.75 4.36 4.73 2ehzA1 GLN 34 HB2 0.00 0.16 -0.05 -0.04 2.15 2.22 2ehzA1 GLN 34 HB3 0.32 -0.15 0.11 -0.04 2.02 2.25 2ehzA1 GLN 34 HG2 0.12 -0.05 -0.44 -0.04 2.40 1.98 2ehzA1 GLN 34 HG3 0.05 0.11 0.02 -0.04 2.39 2.54 2ehzA1 GLN 34 HE21 0.06 0.05 -0.04 -0.04 6.97 7.00 2ehzA1 GLN 34 HE22 0.07 0.03 -0.03 -0.04 7.69 7.72 2ehzA1 VAL 35 H 0.10 0.21 0.16 -0.55 8.24 8.16 2ehzA1 VAL 35 HA 0.23 0.23 0.90 -0.75 4.13 4.73 2ehzA1 VAL 35 HB 0.04 0.02 0.17 -0.04 2.12 2.31 2ehzA1 VAL 35 HG13 -0.04 -0.03 -0.16 -0.04 0.97 0.70 2ehzA1 VAL 35 HG23 0.13 -0.00 -0.01 -0.04 0.95 1.03 2ehzA1 LEU 36 H 0.25 0.72 0.32 -0.55 8.37 9.12 2ehzA1 LEU 36 HA 0.10 0.17 0.84 -0.75 4.35 4.71 2ehzA1 LEU 36 HB2 0.07 0.09 -0.05 -0.04 1.64 1.71 2ehzA1 LEU 36 HB3 0.15 -0.04 0.09 -0.04 1.64 1.80 2ehzA1 LEU 36 HG 0.12 -0.14 -0.31 -0.04 1.64 1.28 2ehzA1 LEU 36 HD13 0.04 0.01 -0.06 -0.04 0.93 0.87 2ehzA1 LEU 36 HD23 -0.36 0.02 -0.04 -0.04 0.89 0.47 2ehzA1 ASP 37 H 0.10 0.30 0.09 -0.55 8.40 8.33 2ehzA1 ASP 37 HA 0.20 0.10 1.05 -0.75 4.63 5.22 2ehzA1 ASP 37 HB2 0.03 0.02 0.01 -0.04 2.71 2.73 2ehzA1 ASP 37 HB3 0.05 0.05 0.17 -0.04 2.70 2.93 2ehzA1 GLU 38 H 0.22 0.19 0.15 -0.55 8.60 8.62 2ehzA1 GLU 38 HA 0.10 0.22 0.68 -0.75 4.29 4.54 2ehzA1 GLU 38 HB2 0.27 -0.03 0.07 -0.04 2.09 2.35 2ehzA1 GLU 38 HB3 0.12 0.04 0.15 -0.04 1.99 2.25 2ehzA1 GLU 38 HG2 0.19 -0.05 -0.23 -0.04 2.34 2.21 2ehzA1 GLU 38 HG3 0.16 0.04 -0.06 -0.04 2.34 2.44 2ehzA1 GLY 39 H 0.08 0.05 -0.27 -0.55 8.43 7.74 2ehzA1 GLY 39 HA2 0.04 0.03 0.23 -0.51 4.01 3.80 2ehzA1 GLY 39 HA3 0.04 0.14 0.46 -0.51 4.01 4.14 2ehzA1 GLU 40 H 0.05 -0.03 -0.20 -0.55 8.60 7.87 2ehzA1 GLU 40 HA -0.00 0.11 0.55 -0.75 4.29 4.19 2ehzA1 GLU 40 HB2 -0.04 0.11 0.10 -0.04 2.09 2.23 2ehzA1 GLU 40 HB3 -0.05 -0.13 0.04 -0.04 1.99 1.81 2ehzA1 GLU 40 HG2 0.02 0.03 -0.01 -0.04 2.34 2.33 2ehzA1 GLU 40 HG3 0.06 0.04 -0.12 -0.04 2.34 2.28 2ehzA1 LYS 41 H -0.03 0.14 0.19 -0.55 8.42 8.17 2ehzA1 LYS 41 HA -0.02 0.14 0.33 -0.75 4.32 4.02 2ehzA1 LYS 41 HB2 -0.00 0.02 0.05 -0.04 1.87 1.89 2ehzA1 LYS 41 HB3 0.00 0.05 0.12 -0.04 1.79 1.91 2ehzA1 LYS 41 HG2 -0.01 0.04 0.10 -0.04 1.46 1.56 2ehzA1 LYS 41 HG3 -0.03 -0.13 0.18 -0.04 1.46 1.44 2ehzA1 LYS 41 HD2 -0.01 0.01 -0.10 -0.04 1.69 1.55 2ehzA1 LYS 41 HD3 0.00 0.02 0.00 -0.04 1.68 1.66 2ehzA1 LYS 41 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 2ehzA1 LYS 41 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.95 2ehzA1 ASP 42 H -0.15 0.01 -0.26 -0.55 8.40 7.45 2ehzA1 ASP 42 HA -0.31 0.22 0.76 -0.75 4.63 4.54 2ehzA1 ASP 42 HB2 -0.03 0.03 0.10 -0.04 2.71 2.77 2ehzA1 ASP 42 HB3 -0.04 0.01 -0.10 -0.04 2.70 2.52 2ehzA1 ARG 43 H -0.37 0.30 -0.09 -0.55 8.46 7.74 2ehzA1 ARG 43 HA -0.36 0.25 0.76 -0.75 4.34 4.24 2ehzA1 ARG 43 HB2 -0.70 0.08 -0.02 -0.04 1.90 1.22 2ehzA1 ARG 43 HB3 -0.37 0.03 -0.27 -0.04 1.80 1.15 2ehzA1 ARG 43 HG2 -0.23 -0.19 -0.10 -0.04 1.67 1.12 2ehzA1 ARG 43 HG3 -0.56 0.03 -0.27 -0.04 1.67 0.83 2ehzA1 ARG 43 HD2 -0.09 0.04 -0.10 -0.04 3.22 3.03 2ehzA1 ARG 43 HD3 -0.38 0.04 -0.13 -0.04 3.22 2.72 2ehzA1 PHE 44 H -0.59 0.57 0.35 -0.55 8.34 8.11 2ehzA1 PHE 44 HA -0.32 0.05 0.54 -0.75 4.62 4.14 2ehzA1 PHE 44 HB2 0.00 0.08 0.21 -0.04 3.15 3.40 2ehzA1 PHE 44 HB3 -0.00 0.02 0.08 -0.04 3.06 3.11 2ehzA1 PHE 44 HD2 0.17 0.08 -0.15 -0.04 7.28 7.34 2ehzA1 PHE 44 HE2 0.07 -0.04 -0.15 -0.04 7.38 7.22 2ehzA1 PHE 44 HZ 0.16 -0.06 -0.17 -0.04 7.32 7.22 2ehzA1 TYR 45 H 0.32 0.66 0.42 -0.55 8.29 9.13 2ehzA1 TYR 45 HA -0.15 0.21 1.17 -0.75 4.56 5.04 2ehzA1 TYR 45 HB2 0.02 0.02 0.12 -0.04 3.06 3.18 2ehzA1 TYR 45 HB3 0.01 0.04 0.07 -0.04 2.98 3.05 2ehzA1 TYR 45 HD2 -0.36 0.06 -0.05 -0.04 7.15 6.76 2ehzA1 TYR 45 HE2 -0.24 -0.02 -0.09 -0.04 6.85 6.46 2ehzA1 LEU 46 H 0.13 0.70 0.44 -0.55 8.37 9.10 2ehzA1 LEU 46 HA 0.22 0.41 1.05 -0.75 4.35 5.27 2ehzA1 LEU 46 HB2 0.09 -0.10 0.15 -0.04 1.64 1.75 2ehzA1 LEU 46 HB3 0.14 0.04 0.01 -0.04 1.64 1.80 2ehzA1 LEU 46 HG 0.13 -0.07 -0.29 -0.04 1.64 1.37 2ehzA1 LEU 46 HD13 0.23 -0.01 -0.12 -0.04 0.93 0.99 2ehzA1 LEU 46 HD23 0.37 0.03 -0.13 -0.04 0.89 1.12 2ehzA1 ARG 47 H 0.20 0.73 0.35 -0.55 8.46 9.18 2ehzA1 ARG 47 HA 0.11 -0.02 0.95 -0.75 4.34 4.63 2ehzA1 ARG 47 HB2 0.29 -0.03 0.03 -0.04 1.90 2.16 2ehzA1 ARG 47 HB3 0.20 0.04 0.07 -0.04 1.80 2.07 2ehzA1 ARG 47 HG2 0.10 0.17 -0.03 -0.04 1.67 1.87 2ehzA1 ARG 47 HG3 0.14 -0.07 -0.12 -0.04 1.67 1.58 2ehzA1 ARG 47 HD2 0.01 -0.06 -0.03 -0.04 3.22 3.10 2ehzA1 ARG 47 HD3 0.13 -0.07 -0.06 -0.04 3.22 3.18 2ehzA1 MET 48 H -0.07 0.06 0.18 -0.55 8.47 8.09 2ehzA1 MET 48 HA -0.69 0.21 0.88 -0.75 4.52 4.17 2ehzA1 MET 48 HB2 -0.33 -0.02 -0.04 -0.04 2.15 1.72 2ehzA1 MET 48 HB3 -0.53 0.00 0.05 -0.04 2.03 1.51 2ehzA1 MET 48 HG2 -0.80 0.06 -0.11 -0.04 2.63 1.75 2ehzA1 MET 48 HG3 -0.28 -0.11 -0.42 -0.04 2.56 1.71 2ehzA1 MET 48 HE3 -0.62 0.06 0.04 -0.04 2.10 1.54 2ehzA1 ASP 49 H -0.06 0.22 0.18 -0.55 8.40 8.19 2ehzA1 ASP 49 HA -0.15 0.13 0.61 -0.75 4.63 4.47 2ehzA1 ASP 49 HB2 0.04 -0.10 0.21 -0.04 2.71 2.82 2ehzA1 ASP 49 HB3 -0.13 0.21 -0.12 -0.04 2.70 2.62 2ehzA1 TYR 50 H 0.26 0.10 0.14 -0.55 8.29 8.24 2ehzA1 TYR 50 HA 0.17 0.31 0.45 -0.75 4.56 4.74 2ehzA1 TYR 50 HB2 0.21 -0.06 0.03 -0.04 3.06 3.20 2ehzA1 TYR 50 HB3 0.14 -0.06 -0.18 -0.04 2.98 2.84 2ehzA1 TYR 50 HD2 0.12 0.09 -0.06 -0.04 7.15 7.26 2ehzA1 TYR 50 HE2 0.09 0.08 -0.01 -0.04 6.85 6.96 2ehzA1 TRP 51 H 0.57 -0.07 -0.21 -0.55 7.97 7.71 2ehzA1 TRP 51 HA 0.07 0.03 0.55 -0.75 4.62 4.52 2ehzA1 TRP 51 HB2 0.01 -0.12 -0.07 -0.04 3.23 3.01 2ehzA1 TRP 51 HB3 -0.04 0.18 0.05 -0.04 3.23 3.38 2ehzA1 TRP 51 HD1 0.10 -0.18 -0.02 -0.04 7.22 7.08 2ehzA1 TRP 51 HE1 0.08 -0.03 -0.02 -0.04 10.20 10.19 2ehzA1 TRP 51 HE3 -0.04 0.20 0.10 -0.04 7.59 7.81 2ehzA1 TRP 51 HZ2 0.12 -0.02 -0.02 -0.04 7.44 7.48 2ehzA1 TRP 51 HZ3 0.26 -0.06 -0.12 -0.04 7.13 7.17 2ehzA1 TRP 51 HH2 0.33 -0.07 -0.01 -0.04 7.19 7.40 2ehzA1 HIS 52 H 0.10 0.57 0.31 -0.55 8.41 8.83 2ehzA1 HIS 52 HA 0.06 0.05 0.44 -0.75 4.63 4.42 2ehzA1 HIS 52 HB2 -0.07 -0.05 0.03 -0.04 3.26 3.13 2ehzA1 HIS 52 HB3 -0.12 0.03 0.13 -0.04 3.20 3.20 2ehzA1 HIS 52 HD2 -0.05 -0.02 -0.02 -0.04 6.97 6.83 2ehzA1 HIS 52 HE1 -1.17 -0.05 -0.12 -0.04 7.75 6.36 2ehzA1 HIS 53 H -0.01 0.24 -0.09 -0.55 8.41 8.00 2ehzA1 HIS 53 HA 0.09 0.10 0.33 -0.75 4.63 4.39 2ehzA1 HIS 53 HB2 0.19 0.00 0.07 -0.04 3.26 3.48 2ehzA1 HIS 53 HB3 0.01 0.09 -0.15 -0.04 3.20 3.11 2ehzA1 HIS 53 HD2 0.16 -0.07 -0.59 -0.04 6.97 6.43 2ehzA1 HIS 53 HE1 -0.19 0.12 -0.15 -0.04 7.75 7.50 2ehzA1 ARG 54 H 0.17 0.54 0.41 -0.55 8.46 9.03 2ehzA1 ARG 54 HA 0.09 0.29 1.00 -0.75 4.34 4.96 2ehzA1 ARG 54 HB2 -0.07 0.01 0.06 -0.04 1.90 1.86 2ehzA1 ARG 54 HB3 -0.12 0.01 0.07 -0.04 1.80 1.72 2ehzA1 ARG 54 HG2 -0.12 -0.17 -0.15 -0.04 1.67 1.19 2ehzA1 ARG 54 HG3 -0.29 -0.00 -0.02 -0.04 1.67 1.32 2ehzA1 ARG 54 HD2 -0.47 0.17 0.18 -0.04 3.22 3.06 2ehzA1 ARG 54 HD3 -0.31 0.17 0.16 -0.04 3.22 3.19 2ehzA1 ILE 55 H 0.18 0.41 0.35 -0.55 8.25 8.63 2ehzA1 ILE 55 HA 0.08 0.33 1.09 -0.75 4.18 4.92 2ehzA1 ILE 55 HB 0.02 -0.08 0.09 -0.04 1.89 1.89 2ehzA1 ILE 55 HG12 -0.02 0.05 -0.16 -0.04 1.49 1.32 2ehzA1 ILE 55 HG13 -0.01 -0.11 -0.46 -0.04 1.21 0.59 2ehzA1 ILE 55 HG23 -0.10 -0.01 -0.23 -0.04 0.93 0.55 2ehzA1 ILE 55 HD13 0.04 0.00 -0.14 -0.04 0.88 0.74 2ehzA1 VAL 56 H -0.00 0.68 0.42 -0.55 8.24 8.79 2ehzA1 VAL 56 HA -0.36 0.19 1.02 -0.75 4.13 4.23 2ehzA1 VAL 56 HB -0.06 -0.10 0.18 -0.04 2.12 2.10 2ehzA1 VAL 56 HG13 -0.69 0.01 -0.11 -0.04 0.97 0.14 2ehzA1 VAL 56 HG23 -0.02 0.03 -0.09 -0.04 0.95 0.82 2ehzA1 VAL 57 H -0.72 0.80 0.31 -0.55 8.24 8.08 2ehzA1 VAL 57 HA -0.45 0.17 0.96 -0.75 4.13 4.06 2ehzA1 VAL 57 HB -1.82 -0.06 0.06 -0.04 2.12 0.27 2ehzA1 VAL 57 HG13 -0.53 -0.01 -0.22 -0.04 0.97 0.17 2ehzA1 VAL 57 HG23 -0.49 0.01 -0.25 -0.04 0.95 0.18 2ehzA1 HIS 58 H -0.12 0.75 0.37 -0.55 8.41 8.88 2ehzA1 HIS 58 HA -0.14 0.16 0.89 -0.75 4.63 4.79 2ehzA1 HIS 58 HB2 -0.09 -0.07 0.21 -0.04 3.26 3.27 2ehzA1 HIS 58 HB3 -0.05 0.11 0.10 -0.04 3.20 3.32 2ehzA1 HIS 58 HD2 -0.19 0.09 -0.03 -0.04 6.97 6.79 2ehzA1 HIS 58 HE1 0.03 0.00 -0.10 -0.04 7.75 7.64 2ehzA1 HIS 59 H 0.11 0.75 0.31 -0.55 8.41 9.04 2ehzA1 HIS 59 HA 0.02 0.04 0.51 -0.75 4.63 4.44 2ehzA1 HIS 59 HB2 0.03 0.05 0.11 -0.04 3.26 3.41 2ehzA1 HIS 59 HB3 0.04 -0.12 0.18 -0.04 3.20 3.26 2ehzA1 HIS 59 HD2 -0.00 -0.04 -0.35 -0.04 6.97 6.53 2ehzA1 HIS 59 HE1 0.09 0.02 -0.12 -0.04 7.75 7.70 2ehzA1 ASN 60 H 0.11 0.09 0.18 -0.55 8.53 8.36 2ehzA1 ASN 60 HA 0.06 0.01 0.40 -0.75 4.76 4.47 2ehzA1 ASN 60 HB2 0.06 0.07 -0.01 -0.04 2.88 2.96 2ehzA1 ASN 60 HB3 0.05 0.02 0.18 -0.04 2.79 2.99 2ehzA1 ASN 60 HD21 0.07 0.01 0.00 -0.04 7.03 7.08 2ehzA1 ASN 60 HD22 0.06 0.02 -0.04 -0.04 7.74 7.74 2ehzA1 GLY 61 H 0.05 0.19 -0.22 -0.55 8.43 7.91 2ehzA1 GLY 61 HA2 0.02 0.26 0.42 -0.51 4.01 4.20 2ehzA1 GLY 61 HA3 0.03 -0.17 -0.02 -0.51 4.01 3.34 2ehzA1 GLN 62 H 0.03 0.08 -0.05 -0.55 8.47 7.98 2ehzA1 GLN 62 HA 0.04 0.24 0.63 -0.75 4.36 4.52 2ehzA1 GLN 62 HB2 0.03 -0.02 -0.03 -0.04 2.15 2.08 2ehzA1 GLN 62 HB3 0.03 0.06 0.08 -0.04 2.02 2.15 2ehzA1 GLN 62 HG2 0.02 -0.01 -0.35 -0.04 2.40 2.01 2ehzA1 GLN 62 HG3 0.00 0.01 -0.04 -0.04 2.39 2.32 2ehzA1 GLN 62 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 2ehzA1 GLN 62 HE22 0.01 0.04 -0.09 -0.04 7.69 7.61 2ehzA1 ASP 63 H 0.07 -0.02 -0.24 -0.55 8.40 7.67 2ehzA1 ASP 63 HA 0.19 0.02 0.51 -0.75 4.63 4.58 2ehzA1 ASP 63 HB2 0.12 0.17 -0.06 -0.04 2.71 2.90 2ehzA1 ASP 63 HB3 0.18 0.25 0.42 -0.04 2.70 3.50 2ehzA1 ASP 64 H 0.11 0.20 0.10 -0.55 8.40 8.27 2ehzA1 ASP 64 HA 0.13 0.09 0.60 -0.75 4.63 4.70 2ehzA1 ASP 64 HB2 0.09 0.22 -0.29 -0.04 2.71 2.68 2ehzA1 ASP 64 HB3 0.01 0.08 -0.06 -0.04 2.70 2.69 2ehzA1 LEU 65 H -0.24 0.04 0.16 -0.55 8.37 7.78 2ehzA1 LEU 65 HA -0.26 0.08 0.69 -0.75 4.35 4.11 2ehzA1 LEU 65 HB2 -0.34 -0.02 0.08 -0.04 1.64 1.31 2ehzA1 LEU 65 HB3 -0.17 -0.05 0.08 -0.04 1.64 1.46 2ehzA1 LEU 65 HG -0.13 0.04 -0.37 -0.04 1.64 1.14 2ehzA1 LEU 65 HD13 -0.24 0.05 -0.06 -0.04 0.93 0.63 2ehzA1 LEU 65 HD23 -0.09 0.00 -0.15 -0.04 0.89 0.61 2ehzA1 GLU 66 H -0.27 0.66 0.39 -0.55 8.60 8.83 2ehzA1 GLU 66 HA -0.07 0.19 0.89 -0.75 4.29 4.54 2ehzA1 GLU 66 HB2 -0.45 -0.06 -0.22 -0.04 2.09 1.32 2ehzA1 GLU 66 HB3 -0.06 0.01 -0.10 -0.04 1.99 1.81 2ehzA1 GLU 66 HG2 -0.12 -0.10 -0.30 -0.04 2.34 1.78 2ehzA1 GLU 66 HG3 -0.20 0.03 -0.28 -0.04 2.34 1.85 2ehzA1 TYR 67 H -0.41 0.34 0.33 -0.55 8.29 7.99 2ehzA1 TYR 67 HA -0.00 0.30 0.48 -0.75 4.56 4.58 2ehzA1 TYR 67 HB2 0.06 0.04 -0.15 -0.04 3.06 2.97 2ehzA1 TYR 67 HB3 0.03 0.15 -0.04 -0.04 2.98 3.08 2ehzA1 TYR 67 HD2 0.11 0.07 -0.39 -0.04 7.15 6.90 2ehzA1 TYR 67 HE2 0.08 0.04 -0.22 -0.04 6.85 6.71 2ehzA1 LEU 68 H 0.10 0.59 0.30 -0.55 8.37 8.81 2ehzA1 LEU 68 HA -0.21 0.15 1.01 -0.75 4.35 4.54 2ehzA1 LEU 68 HB2 0.07 0.01 0.17 -0.04 1.64 1.84 2ehzA1 LEU 68 HB3 -0.67 0.03 0.04 -0.04 1.64 0.99 2ehzA1 LEU 68 HG -0.04 -0.03 -0.10 -0.04 1.64 1.42 2ehzA1 LEU 68 HD13 0.16 0.00 -0.04 -0.04 0.93 1.01 2ehzA1 LEU 68 HD23 -0.23 0.02 0.02 -0.04 0.89 0.66 2ehzA1 GLY 69 H -0.50 0.76 0.31 -0.55 8.43 8.45 2ehzA1 GLY 69 HA2 -0.21 0.16 0.86 -0.51 4.01 4.31 2ehzA1 GLY 69 HA3 -1.44 -0.03 0.26 -0.51 4.01 2.29 2ehzA1 TRP 70 H 0.28 0.87 0.37 -0.55 7.97 8.93 2ehzA1 TRP 70 HA 0.12 0.13 0.99 -0.75 4.62 5.10 2ehzA1 TRP 70 HB2 0.13 0.05 0.24 -0.04 3.23 3.61 2ehzA1 TRP 70 HB3 0.13 0.03 0.05 -0.04 3.23 3.40 2ehzA1 TRP 70 HD1 0.18 0.08 -0.01 -0.04 7.22 7.42 2ehzA1 TRP 70 HE1 0.25 -0.02 -0.06 -0.04 10.20 10.32 2ehzA1 TRP 70 HE3 0.18 0.12 -0.31 -0.04 7.59 7.53 2ehzA1 TRP 70 HZ2 0.07 -0.02 -0.07 -0.04 7.44 7.38 2ehzA1 TRP 70 HZ3 0.24 -0.06 -0.17 -0.04 7.13 7.10 2ehzA1 TRP 70 HH2 0.16 0.11 -0.23 -0.04 7.19 7.19 2ehzA1 ARG 71 H 0.16 0.55 0.44 -0.55 8.46 9.06 2ehzA1 ARG 71 HA -1.00 0.23 0.73 -0.75 4.34 3.55 2ehzA1 ARG 71 HB2 -0.09 -0.04 0.08 -0.04 1.90 1.80 2ehzA1 ARG 71 HB3 0.04 -0.07 0.14 -0.04 1.80 1.87 2ehzA1 ARG 71 HG2 -0.07 0.17 -0.09 -0.04 1.67 1.63 2ehzA1 ARG 71 HG3 -0.39 -0.06 0.04 -0.04 1.67 1.22 2ehzA1 ARG 71 HD2 0.53 -0.02 -0.03 -0.04 3.22 3.66 2ehzA1 ARG 71 HD3 0.21 -0.01 -0.10 -0.04 3.22 3.28 2ehzA1 VAL 72 H -0.12 0.65 0.44 -0.55 8.24 8.66 2ehzA1 VAL 72 HA 0.01 0.28 0.83 -0.75 4.13 4.49 2ehzA1 VAL 72 HB 0.04 -0.11 0.07 -0.04 2.12 2.08 2ehzA1 VAL 72 HG13 0.05 0.05 -0.26 -0.04 0.97 0.77 2ehzA1 VAL 72 HG23 0.22 0.01 -0.21 -0.04 0.95 0.94 2ehzA1 ALA 73 H 0.01 0.22 0.19 -0.55 8.40 8.27 2ehzA1 ALA 73 HA 0.05 0.10 0.30 -0.75 4.34 4.02 2ehzA1 ALA 73 HB3 -0.00 0.02 0.13 -0.04 1.41 1.51 2ehzA1 GLY 74 H -0.04 0.10 0.01 -0.55 8.43 7.96 2ehzA1 GLY 74 HA2 -0.13 0.16 0.56 -0.51 4.01 4.09 2ehzA1 GLY 74 HA3 -0.26 0.07 0.32 -0.51 4.01 3.64 2ehzA1 LYS 75 H -1.24 0.22 0.14 -0.55 8.42 6.99 2ehzA1 LYS 75 HA -1.00 0.06 0.36 -0.75 4.32 2.98 2ehzA1 LYS 75 HB2 -1.52 0.04 0.12 -0.04 1.87 0.46 2ehzA1 LYS 75 HB3 -0.54 0.06 0.08 -0.04 1.79 1.36 2ehzA1 LYS 75 HG2 -0.13 -0.04 -0.07 -0.04 1.46 1.18 2ehzA1 LYS 75 HG3 -0.15 0.01 0.02 -0.04 1.46 1.30 2ehzA1 LYS 75 HD2 -0.14 0.01 -0.02 -0.04 1.69 1.50 2ehzA1 LYS 75 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2ehzA1 LYS 75 HE2 0.30 0.02 -0.02 -0.04 2.99 3.25 2ehzA1 LYS 75 HE3 0.08 -0.01 -0.00 -0.04 2.99 3.02 2ehzA1 PRO 76 HA -0.08 0.11 0.46 -0.51 4.44 4.42 2ehzA1 PRO 76 HB2 -0.09 0.05 -0.02 -0.04 2.28 2.18 2ehzA1 PRO 76 HB3 -0.07 0.09 0.06 -0.04 2.02 2.06 2ehzA1 PRO 76 HG2 -0.12 0.10 0.03 -0.04 2.03 1.99 2ehzA1 PRO 76 HG3 -0.13 0.08 0.04 -0.04 2.03 1.97 2ehzA1 PRO 76 HD2 -0.25 0.02 -0.10 -0.04 3.68 3.32 2ehzA1 PRO 76 HD3 -0.35 0.07 0.12 -0.04 3.65 3.45 2ehzA1 GLU 77 H -0.10 0.12 -0.27 -0.55 8.60 7.81 2ehzA1 GLU 77 HA -0.03 0.11 0.48 -0.75 4.29 4.09 2ehzA1 GLU 77 HB2 -0.01 -0.09 0.13 -0.04 2.09 2.07 2ehzA1 GLU 77 HB3 -0.01 0.07 0.08 -0.04 1.99 2.09 2ehzA1 GLU 77 HG2 -0.03 0.09 0.10 -0.04 2.34 2.46 2ehzA1 GLU 77 HG3 -0.04 0.08 0.01 -0.04 2.34 2.35 2ehzA1 PHE 78 H 0.08 0.44 -0.13 -0.55 8.34 8.18 2ehzA1 PHE 78 HA 0.04 0.06 0.34 -0.75 4.62 4.30 2ehzA1 PHE 78 HB2 0.12 0.01 -0.09 -0.04 3.15 3.15 2ehzA1 PHE 78 HB3 -0.08 0.11 0.13 -0.04 3.06 3.18 2ehzA1 PHE 78 HD2 0.19 0.02 -0.26 -0.04 7.28 7.18 2ehzA1 PHE 78 HE2 0.18 0.13 -0.17 -0.04 7.38 7.48 2ehzA1 PHE 78 HZ 0.15 0.08 -0.42 -0.04 7.32 7.09 2ehzA1 GLU 79 H 0.11 0.59 -0.12 -0.55 8.60 8.63 2ehzA1 GLU 79 HA -0.04 0.02 0.36 -0.75 4.29 3.87 2ehzA1 GLU 79 HB2 0.01 0.08 0.14 -0.04 2.09 2.28 2ehzA1 GLU 79 HB3 0.02 -0.01 0.00 -0.04 1.99 1.96 2ehzA1 GLU 79 HG2 0.17 -0.03 -0.00 -0.04 2.34 2.44 2ehzA1 GLU 79 HG3 0.20 0.09 0.05 -0.04 2.34 2.63 2ehzA1 ALA 80 H -0.03 0.48 -0.15 -0.55 8.40 8.15 2ehzA1 ALA 80 HA -0.04 0.02 0.43 -0.75 4.34 4.00 2ehzA1 ALA 80 HB3 -0.04 0.01 0.12 -0.04 1.41 1.47 2ehzA1 LEU 81 H -0.07 0.58 -0.19 -0.55 8.37 8.14 2ehzA1 LEU 81 HA -0.08 0.10 0.41 -0.75 4.35 4.02 2ehzA1 LEU 81 HB2 -0.07 0.05 0.01 -0.04 1.64 1.59 2ehzA1 LEU 81 HB3 -0.11 0.01 0.03 -0.04 1.64 1.53 2ehzA1 LEU 81 HG -0.14 -0.07 -0.18 -0.04 1.64 1.22 2ehzA1 LEU 81 HD13 -0.13 0.00 -0.05 -0.04 0.93 0.71 2ehzA1 LEU 81 HD23 -0.07 -0.02 -0.12 -0.04 0.89 0.63 2ehzA1 GLY 82 H -0.20 0.56 -0.16 -0.55 8.43 8.08 2ehzA1 GLY 82 HA2 -0.14 -0.00 0.37 -0.51 4.01 3.72 2ehzA1 GLY 82 HA3 -0.20 0.05 0.26 -0.51 4.01 3.61 2ehzA1 GLN 83 H -0.07 0.55 -0.18 -0.55 8.47 8.23 2ehzA1 GLN 83 HA -0.02 -0.00 0.43 -0.75 4.36 4.00 2ehzA1 GLN 83 HB2 -0.03 0.04 0.12 -0.04 2.15 2.24 2ehzA1 GLN 83 HB3 -0.03 0.11 0.10 -0.04 2.02 2.16 2ehzA1 GLN 83 HG2 -0.01 -0.02 0.00 -0.04 2.40 2.33 2ehzA1 GLN 83 HG3 -0.01 -0.01 -0.05 -0.04 2.39 2.28 2ehzA1 GLN 83 HE21 -0.00 0.01 0.01 -0.04 6.97 6.94 2ehzA1 GLN 83 HE22 -0.01 -0.01 0.05 -0.04 7.69 7.68 2ehzA1 LYS 84 H -0.05 0.47 -0.22 -0.55 8.42 8.07 2ehzA1 LYS 84 HA -0.01 -0.01 0.45 -0.75 4.32 3.99 2ehzA1 LYS 84 HB2 -0.05 0.12 0.16 -0.04 1.87 2.06 2ehzA1 LYS 84 HB3 -0.06 0.11 0.12 -0.04 1.79 1.92 2ehzA1 LYS 84 HG2 -0.03 -0.04 -0.06 -0.04 1.46 1.29 2ehzA1 LYS 84 HG3 -0.02 -0.07 0.05 -0.04 1.46 1.38 2ehzA1 LYS 84 HD2 -0.05 -0.06 0.01 -0.04 1.69 1.55 2ehzA1 LYS 84 HD3 -0.08 0.14 0.02 -0.04 1.68 1.72 2ehzA1 LYS 84 HE2 -0.04 -0.07 0.05 -0.04 2.99 2.88 2ehzA1 LYS 84 HE3 -0.03 -0.10 0.03 -0.04 2.99 2.84 2ehzA1 LEU 85 H -0.04 0.59 -0.16 -0.55 8.37 8.22 2ehzA1 LEU 85 HA 0.12 0.02 0.41 -0.75 4.35 4.15 2ehzA1 LEU 85 HB2 -0.02 0.14 0.10 -0.04 1.64 1.81 2ehzA1 LEU 85 HB3 0.07 -0.06 -0.13 -0.04 1.64 1.48 2ehzA1 LEU 85 HG -0.16 0.08 -0.05 -0.04 1.64 1.47 2ehzA1 LEU 85 HD13 -0.11 -0.02 -0.17 -0.04 0.93 0.58 2ehzA1 LEU 85 HD23 -0.37 -0.02 -0.08 -0.04 0.89 0.39 2ehzA1 ILE 86 H 0.01 0.47 -0.15 -0.55 8.25 8.03 2ehzA1 ILE 86 HA 0.04 0.17 0.45 -0.75 4.18 4.09 2ehzA1 ILE 86 HB 0.00 0.06 0.19 -0.04 1.89 2.10 2ehzA1 ILE 86 HG12 0.02 -0.02 0.05 -0.04 1.49 1.49 2ehzA1 ILE 86 HG13 0.01 0.10 0.06 -0.04 1.21 1.33 2ehzA1 ILE 86 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.78 2ehzA1 ILE 86 HD13 -0.00 -0.04 -0.07 -0.04 0.88 0.72 2ehzA1 ASP 87 H 0.01 0.66 -0.07 -0.55 8.40 8.45 2ehzA1 ASP 87 HA -0.00 -0.02 0.38 -0.75 4.63 4.23 2ehzA1 ASP 87 HB2 0.00 0.12 0.15 -0.04 2.71 2.94 2ehzA1 ASP 87 HB3 -0.00 -0.07 0.05 -0.04 2.70 2.63 2ehzA1 ALA 88 H 0.05 0.38 -0.39 -0.55 8.40 7.89 2ehzA1 ALA 88 HA -0.02 0.06 0.59 -0.75 4.34 4.21 2ehzA1 ALA 88 HB3 0.13 -0.01 0.11 -0.04 1.41 1.59 2ehzA1 GLY 89 H -0.02 0.45 -0.40 -0.55 8.43 7.91 2ehzA1 GLY 89 HA2 -0.07 0.03 0.27 -0.51 4.01 3.73 2ehzA1 GLY 89 HA3 -0.16 0.04 0.54 -0.51 4.01 3.91 2ehzA1 TYR 90 H 0.07 0.45 -0.02 -0.55 8.29 8.23 2ehzA1 TYR 90 HA 0.01 0.06 0.65 -0.75 4.56 4.52 2ehzA1 TYR 90 HB2 0.04 0.01 -0.05 -0.04 3.06 3.02 2ehzA1 TYR 90 HB3 0.08 -0.01 -0.05 -0.04 2.98 2.96 2ehzA1 TYR 90 HD2 0.02 0.05 0.01 -0.04 7.15 7.18 2ehzA1 TYR 90 HE2 0.02 -0.02 -0.03 -0.04 6.85 6.77 2ehzA1 LYS 91 H 0.12 0.12 0.14 -0.55 8.42 8.26 2ehzA1 LYS 91 HA 0.05 0.13 0.74 -0.75 4.32 4.48 2ehzA1 LYS 91 HB2 0.03 -0.01 0.15 -0.04 1.87 2.01 2ehzA1 LYS 91 HB3 0.03 -0.03 0.03 -0.04 1.79 1.78 2ehzA1 LYS 91 HG2 0.01 -0.04 0.00 -0.04 1.46 1.39 2ehzA1 LYS 91 HG3 0.02 0.03 0.03 -0.04 1.46 1.50 2ehzA1 LYS 91 HD2 0.00 -0.04 -0.02 -0.04 1.69 1.59 2ehzA1 LYS 91 HD3 0.02 0.10 -0.12 -0.04 1.68 1.63 2ehzA1 LYS 91 HE2 0.00 -0.03 -0.06 -0.04 2.99 2.86 2ehzA1 LYS 91 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.87 2ehzA1 ILE 92 H 0.04 0.23 0.18 -0.55 8.25 8.16 2ehzA1 ILE 92 HA 0.05 0.30 0.96 -0.75 4.18 4.74 2ehzA1 ILE 92 HB 0.02 -0.04 -0.03 -0.04 1.89 1.81 2ehzA1 ILE 92 HG12 0.02 0.06 -0.04 -0.04 1.49 1.49 2ehzA1 ILE 92 HG13 0.02 -0.06 -0.33 -0.04 1.21 0.80 2ehzA1 ILE 92 HG23 0.05 0.02 -0.34 -0.04 0.93 0.63 2ehzA1 ILE 92 HD13 -0.04 -0.00 -0.10 -0.04 0.88 0.69 2ehzA1 ARG 93 H 0.05 0.59 0.31 -0.55 8.46 8.86 2ehzA1 ARG 93 HA 0.04 0.14 0.80 -0.75 4.34 4.57 2ehzA1 ARG 93 HB2 0.03 0.05 -0.05 -0.04 1.90 1.89 2ehzA1 ARG 93 HB3 0.04 -0.05 0.11 -0.04 1.80 1.86 2ehzA1 ARG 93 HG2 0.04 0.01 -0.27 -0.04 1.67 1.40 2ehzA1 ARG 93 HG3 0.03 0.02 0.06 -0.04 1.67 1.75 2ehzA1 ARG 93 HD2 0.02 -0.03 -0.04 -0.04 3.22 3.14 2ehzA1 ARG 93 HD3 0.02 0.03 -0.03 -0.04 3.22 3.20 2ehzA1 ILE 94 H 0.05 0.18 0.10 -0.55 8.25 8.04 2ehzA1 ILE 94 HA 0.14 0.12 0.91 -0.75 4.18 4.59 2ehzA1 ILE 94 HB 0.08 -0.02 0.13 -0.04 1.89 2.04 2ehzA1 ILE 94 HG12 0.04 0.02 -0.03 -0.04 1.49 1.49 2ehzA1 ILE 94 HG13 0.04 -0.07 -0.08 -0.04 1.21 1.06 2ehzA1 ILE 94 HG23 0.22 0.03 -0.04 -0.04 0.93 1.10 2ehzA1 ILE 94 HD13 0.05 0.01 -0.02 -0.04 0.88 0.87 2ehzA1 CYS 95 H 0.16 0.66 0.38 -0.55 8.50 9.15 2ehzA1 CYS 95 HA 0.05 0.03 0.45 -0.75 4.58 4.36 2ehzA1 CYS 95 HB2 0.07 0.07 0.03 -0.04 2.97 3.10 2ehzA1 CYS 95 HB3 0.03 -0.10 -0.03 -0.04 2.97 2.82 2ehzA1 ASP 96 H 0.02 0.06 0.16 -0.55 8.40 8.09 2ehzA1 ASP 96 HA 0.03 0.23 0.66 -0.75 4.63 4.80 2ehzA1 ASP 96 HB2 0.01 -0.10 0.21 -0.04 2.71 2.78 2ehzA1 ASP 96 HB3 0.02 0.13 0.14 -0.04 2.70 2.95 2ehzA1 LYS 97 H -0.00 0.18 0.16 -0.55 8.42 8.21 2ehzA1 LYS 97 HA -0.04 0.17 0.32 -0.75 4.32 4.01 2ehzA1 LYS 97 HB2 -0.02 -0.04 0.14 -0.04 1.87 1.91 2ehzA1 LYS 97 HB3 -0.03 0.07 0.03 -0.04 1.79 1.81 2ehzA1 LYS 97 HG2 -0.02 0.09 0.07 -0.04 1.46 1.55 2ehzA1 LYS 97 HG3 -0.00 -0.04 0.13 -0.04 1.46 1.50 2ehzA1 LYS 97 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.67 2ehzA1 LYS 97 HD3 -0.02 0.03 0.02 -0.04 1.68 1.67 2ehzA1 LYS 97 HE2 -0.00 0.03 0.03 -0.04 2.99 3.01 2ehzA1 LYS 97 HE3 0.01 -0.01 0.04 -0.04 2.99 2.98 2ehzA1 VAL 98 H -0.02 0.07 -0.11 -0.55 8.24 7.63 2ehzA1 VAL 98 HA -0.03 0.12 0.37 -0.75 4.13 3.84 2ehzA1 VAL 98 HB -0.01 -0.05 0.06 -0.04 2.12 2.08 2ehzA1 VAL 98 HG13 -0.02 0.03 -0.13 -0.04 0.97 0.81 2ehzA1 VAL 98 HG23 -0.02 0.01 0.02 -0.04 0.95 0.93 2ehzA1 GLU 99 H -0.02 0.06 -0.26 -0.55 8.60 7.84 2ehzA1 GLU 99 HA -0.04 0.09 0.38 -0.75 4.29 3.96 2ehzA1 GLU 99 HB2 -0.01 -0.06 0.06 -0.04 2.09 2.04 2ehzA1 GLU 99 HB3 -0.02 0.06 -0.14 -0.04 1.99 1.86 2ehzA1 GLU 99 HG2 -0.03 0.05 -0.02 -0.04 2.34 2.30 2ehzA1 GLU 99 HG3 -0.01 -0.05 -0.03 -0.04 2.34 2.21 2ehzA1 ALA 100 H -0.04 0.46 -0.23 -0.55 8.40 8.04 2ehzA1 ALA 100 HA -0.08 0.00 0.35 -0.75 4.34 3.85 2ehzA1 ALA 100 HB3 -0.10 0.06 -0.11 -0.04 1.41 1.21 2ehzA1 GLN 101 H -0.08 0.55 -0.17 -0.55 8.47 8.22 2ehzA1 GLN 101 HA -0.13 0.04 0.44 -0.75 4.36 3.96 2ehzA1 GLN 101 HB2 -0.06 0.06 0.15 -0.04 2.15 2.25 2ehzA1 GLN 101 HB3 -0.08 -0.04 -0.00 -0.04 2.02 1.86 2ehzA1 GLN 101 HG2 -0.10 -0.01 0.01 -0.04 2.40 2.26 2ehzA1 GLN 101 HG3 -0.08 0.10 0.04 -0.04 2.39 2.40 2ehzA1 GLN 101 HE21 -0.05 -0.03 -0.03 -0.04 6.97 6.82 2ehzA1 GLN 101 HE22 -0.08 0.03 -0.03 -0.04 7.69 7.58 2ehzA1 GLU 102 H -0.07 0.38 -0.27 -0.55 8.60 8.10 2ehzA1 GLU 102 HA -0.05 0.01 0.39 -0.75 4.29 3.89 2ehzA1 GLU 102 HB2 -0.04 -0.01 0.08 -0.04 2.09 2.07 2ehzA1 GLU 102 HB3 -0.07 0.15 0.08 -0.04 1.99 2.12 2ehzA1 GLU 102 HG2 -0.02 0.02 -0.26 -0.04 2.34 2.03 2ehzA1 GLU 102 HG3 -0.01 -0.04 -0.01 -0.04 2.34 2.23 2ehzA1 ARG 103 H -0.13 0.32 -0.33 -0.55 8.46 7.76 2ehzA1 ARG 103 HA -0.19 0.08 0.50 -0.75 4.34 3.97 2ehzA1 ARG 103 HB2 -0.20 0.07 -0.06 -0.04 1.90 1.66 2ehzA1 ARG 103 HB3 -0.49 -0.06 -0.07 -0.04 1.80 1.15 2ehzA1 ARG 103 HG2 -0.16 0.07 -0.08 -0.04 1.67 1.46 2ehzA1 ARG 103 HG3 -0.13 -0.05 -0.13 -0.04 1.67 1.33 2ehzA1 ARG 103 HD2 -0.40 -0.03 -0.14 -0.04 3.22 2.60 2ehzA1 ARG 103 HD3 -0.21 0.03 -0.21 -0.04 3.22 2.79 2ehzA1 MET 104 H -0.17 0.22 -0.56 -0.55 8.47 7.42 2ehzA1 MET 104 HA -0.20 0.02 0.29 -0.75 4.52 3.87 2ehzA1 MET 104 HB2 -0.22 0.11 0.07 -0.04 2.15 2.07 2ehzA1 MET 104 HB3 -0.28 -0.13 0.18 -0.04 2.03 1.76 2ehzA1 MET 104 HG2 -0.25 -0.01 -0.00 -0.04 2.63 2.33 2ehzA1 MET 104 HG3 -0.19 0.15 -0.29 -0.04 2.56 2.19 2ehzA1 MET 104 HE3 -0.31 0.00 -0.08 -0.04 2.10 1.68 2ehzA1 VAL 105 H -0.22 0.51 -0.02 -0.55 8.24 7.96 2ehzA1 VAL 105 HA -0.27 0.37 0.82 -0.75 4.13 4.31 2ehzA1 VAL 105 HB -0.08 0.03 -0.09 -0.04 2.12 1.94 2ehzA1 VAL 105 HG13 -0.48 0.00 -0.43 -0.04 0.97 0.02 2ehzA1 VAL 105 HG23 -0.13 -0.02 -0.30 -0.04 0.95 0.46 2ehzA1 LEU 106 H -0.58 0.45 0.36 -0.55 8.37 8.05 2ehzA1 LEU 106 HA -0.46 0.11 0.63 -0.75 4.35 3.87 2ehzA1 LEU 106 HB2 -2.19 -0.00 0.06 -0.04 1.64 -0.53 2ehzA1 LEU 106 HB3 -1.10 -0.07 0.05 -0.04 1.64 0.48 2ehzA1 LEU 106 HG -0.48 0.20 0.05 -0.04 1.64 1.38 2ehzA1 LEU 106 HD13 -0.28 -0.03 0.01 -0.04 0.93 0.59 2ehzA1 LEU 106 HD23 -0.25 -0.00 -0.08 -0.04 0.89 0.52 2ehzA1 GLY 107 H -0.89 0.42 0.16 -0.55 8.43 7.57 2ehzA1 GLY 107 HA2 -0.30 0.16 0.61 -0.51 4.01 3.96 2ehzA1 GLY 107 HA3 -0.68 -0.04 0.29 -0.51 4.01 3.07 2ehzA1 LEU 108 H 0.03 0.28 0.15 -0.55 8.37 8.28 2ehzA1 LEU 108 HA 0.33 0.28 1.01 -0.75 4.35 5.22 2ehzA1 LEU 108 HB2 0.03 0.03 -0.34 -0.04 1.64 1.32 2ehzA1 LEU 108 HB3 0.05 -0.07 -0.07 -0.04 1.64 1.51 2ehzA1 LEU 108 HG 0.12 -0.01 -0.33 -0.04 1.64 1.37 2ehzA1 LEU 108 HD13 0.20 0.03 -0.10 -0.04 0.93 1.02 2ehzA1 LEU 108 HD23 -0.02 -0.03 -0.27 -0.04 0.89 0.53 2ehzA1 MET 109 H 0.41 0.74 0.42 -0.55 8.47 9.49 2ehzA1 MET 109 HA 0.18 0.18 0.93 -0.75 4.52 5.05 2ehzA1 MET 109 HB2 0.04 0.05 0.04 -0.04 2.15 2.23 2ehzA1 MET 109 HB3 0.07 -0.06 -0.01 -0.04 2.03 1.98 2ehzA1 MET 109 HG2 0.10 0.08 0.07 -0.04 2.63 2.84 2ehzA1 MET 109 HG3 0.09 -0.03 -0.19 -0.04 2.56 2.39 2ehzA1 MET 109 HE3 -0.80 -0.02 -0.09 -0.04 2.10 1.16 2ehzA1 LYS 110 H 0.09 0.61 0.39 -0.55 8.42 8.94 2ehzA1 LYS 110 HA 0.11 0.25 1.15 -0.75 4.32 5.08 2ehzA1 LYS 110 HB2 0.05 -0.04 0.09 -0.04 1.87 1.93 2ehzA1 LYS 110 HB3 0.05 0.07 0.01 -0.04 1.79 1.88 2ehzA1 LYS 110 HG2 0.04 0.06 -0.08 -0.04 1.46 1.44 2ehzA1 LYS 110 HG3 0.07 -0.10 -0.38 -0.04 1.46 1.00 2ehzA1 LYS 110 HD2 0.01 -0.04 -0.10 -0.04 1.69 1.52 2ehzA1 LYS 110 HD3 -0.01 0.04 -0.08 -0.04 1.68 1.60 2ehzA1 LYS 110 HE2 -0.09 0.03 -0.13 -0.04 2.99 2.75 2ehzA1 LYS 110 HE3 -0.02 -0.04 -0.17 -0.04 2.99 2.72 2ehzA1 THR 111 H 0.10 0.73 0.44 -0.55 8.28 9.00 2ehzA1 THR 111 HA 0.05 0.13 0.57 -0.75 4.39 4.38 2ehzA1 THR 111 HB 0.08 -0.04 -0.10 -0.04 4.32 4.22 2ehzA1 THR 111 HG23 0.17 -0.01 -0.20 -0.04 1.22 1.14 2ehzA1 GLU 112 H -0.03 0.32 0.21 -0.55 8.60 8.55 2ehzA1 GLU 112 HA -0.04 0.15 0.63 -0.75 4.29 4.27 2ehzA1 GLU 112 HB2 -0.08 -0.04 -0.22 -0.04 2.09 1.71 2ehzA1 GLU 112 HB3 -0.03 0.00 -0.10 -0.04 1.99 1.82 2ehzA1 GLU 112 HG2 -0.03 -0.04 -0.03 -0.04 2.34 2.20 2ehzA1 GLU 112 HG3 -0.09 0.03 -0.06 -0.04 2.34 2.17 2ehzA1 ASP 113 H -0.21 0.52 0.14 -0.55 8.40 8.30 2ehzA1 ASP 113 HA -1.61 0.20 0.62 -0.75 4.63 3.08 2ehzA1 ASP 113 HB2 -0.80 0.04 0.16 -0.04 2.71 2.07 2ehzA1 ASP 113 HB3 -0.36 0.07 0.08 -0.04 2.70 2.45 2ehzA1 PRO 114 HA -0.16 0.19 0.41 -0.51 4.44 4.36 2ehzA1 PRO 114 HB2 -0.14 -0.08 -0.08 -0.04 2.28 1.94 2ehzA1 PRO 114 HB3 -0.08 0.05 0.04 -0.04 2.02 1.99 2ehzA1 PRO 114 HG2 -0.09 0.17 -0.33 -0.04 2.03 1.74 2ehzA1 PRO 114 HG3 -0.11 0.12 0.02 -0.04 2.03 2.02 2ehzA1 PRO 114 HD2 -0.41 0.05 0.19 -0.04 3.68 3.46 2ehzA1 PRO 114 HD3 -1.25 0.17 0.22 -0.04 3.65 2.76 2ehzA1 GLY 115 H -0.19 0.07 -0.36 -0.55 8.43 7.40 2ehzA1 GLY 115 HA2 -0.09 0.04 0.64 -0.51 4.01 4.10 2ehzA1 GLY 115 HA3 -0.11 0.15 0.33 -0.51 4.01 3.88 2ehzA1 GLY 116 H -0.13 0.48 -0.37 -0.55 8.43 7.86 2ehzA1 GLY 116 HA2 -0.07 0.06 0.19 -0.51 4.01 3.68 2ehzA1 GLY 116 HA3 -0.05 0.14 0.55 -0.51 4.01 4.14 2ehzA1 ASN 117 H -0.08 -0.06 -0.17 -0.55 8.53 7.68 2ehzA1 ASN 117 HA -0.01 0.22 0.55 -0.75 4.76 4.77 2ehzA1 ASN 117 HB2 0.03 -0.13 0.07 -0.04 2.88 2.82 2ehzA1 ASN 117 HB3 0.03 0.05 -0.04 -0.04 2.79 2.79 2ehzA1 ASN 117 HD21 -0.03 0.51 0.06 -0.04 7.03 7.53 2ehzA1 ASN 117 HD22 -0.01 -0.16 -0.02 -0.04 7.74 7.51 2ehzA1 PRO 118 HA 0.04 0.15 0.64 -0.51 4.44 4.76 2ehzA1 PRO 118 HB2 0.12 0.07 0.27 -0.04 2.28 2.70 2ehzA1 PRO 118 HB3 0.07 0.00 0.15 -0.04 2.02 2.21 2ehzA1 PRO 118 HG2 0.03 0.12 0.16 -0.04 2.03 2.30 2ehzA1 PRO 118 HG3 0.02 0.03 0.12 -0.04 2.03 2.16 2ehzA1 PRO 118 HD2 0.01 0.01 0.08 -0.04 3.68 3.74 2ehzA1 PRO 118 HD3 -0.00 0.29 0.35 -0.04 3.65 4.25 2ehzA1 THR 119 H 0.10 0.72 0.35 -0.55 8.28 8.90 2ehzA1 THR 119 HA 0.27 0.13 0.91 -0.75 4.39 4.94 2ehzA1 THR 119 HB 0.17 -0.07 -0.16 -0.04 4.32 4.21 2ehzA1 THR 119 HG23 0.50 -0.00 -0.20 -0.04 1.22 1.49 2ehzA1 GLU 120 H 0.23 0.78 0.46 -0.55 8.60 9.52 2ehzA1 GLU 120 HA 0.20 0.28 1.17 -0.75 4.29 5.18 2ehzA1 GLU 120 HB2 0.15 -0.08 0.07 -0.04 2.09 2.19 2ehzA1 GLU 120 HB3 0.21 0.03 0.04 -0.04 1.99 2.23 2ehzA1 GLU 120 HG2 0.09 0.04 -0.13 -0.04 2.34 2.29 2ehzA1 GLU 120 HG3 0.14 -0.04 -0.26 -0.04 2.34 2.14 2ehzA1 ILE 121 H 0.27 0.58 0.33 -0.55 8.25 8.88 2ehzA1 ILE 121 HA 0.35 0.35 0.99 -0.75 4.18 5.13 2ehzA1 ILE 121 HB 0.14 -0.07 0.05 -0.04 1.89 1.98 2ehzA1 ILE 121 HG12 0.19 0.05 -0.07 -0.04 1.49 1.62 2ehzA1 ILE 121 HG13 0.23 -0.09 -0.50 -0.04 1.21 0.81 2ehzA1 ILE 121 HG23 0.17 0.00 -0.13 -0.04 0.93 0.92 2ehzA1 ILE 121 HD13 -0.03 0.00 -0.16 -0.04 0.88 0.64 2ehzA1 PHE 122 H 0.16 0.63 0.34 -0.55 8.34 8.92 2ehzA1 PHE 122 HA 0.30 0.19 0.93 -0.75 4.62 5.29 2ehzA1 PHE 122 HB2 0.05 0.16 0.09 -0.04 3.15 3.41 2ehzA1 PHE 122 HB3 0.22 -0.07 -0.26 -0.04 3.06 2.91 2ehzA1 PHE 122 HD2 0.05 0.01 -0.48 -0.04 7.28 6.81 2ehzA1 PHE 122 HE2 -0.01 0.02 -0.36 -0.04 7.38 6.99 2ehzA1 PHE 122 HZ 0.54 -0.01 -0.10 -0.04 7.32 7.70 2ehzA1 TRP 123 H -0.04 0.42 0.26 -0.55 7.97 8.06 2ehzA1 TRP 123 HA -0.14 0.24 0.63 -0.75 4.62 4.60 2ehzA1 TRP 123 HB2 -0.05 0.06 -0.08 -0.04 3.23 3.13 2ehzA1 TRP 123 HB3 -0.02 0.01 -0.20 -0.04 3.23 2.98 2ehzA1 TRP 123 HD1 -1.00 0.02 -0.15 -0.04 7.22 6.05 2ehzA1 TRP 123 HE1 -0.43 0.06 -0.11 -0.04 10.20 9.69 2ehzA1 TRP 123 HE3 -0.05 0.10 -0.07 -0.04 7.59 7.54 2ehzA1 TRP 123 HZ2 -0.09 0.07 -0.07 -0.04 7.44 7.30 2ehzA1 TRP 123 HZ3 -0.05 0.06 0.01 -0.04 7.13 7.11 2ehzA1 TRP 123 HH2 -0.05 0.05 -0.01 -0.04 7.19 7.14 2ehzA1 GLY 124 H 0.23 0.25 0.13 -0.55 8.43 8.49 2ehzA1 GLY 124 HA2 0.03 0.11 0.39 -0.51 4.01 4.02 2ehzA1 GLY 124 HA3 -0.43 -0.03 0.45 -0.51 4.01 3.49 2ehzA1 PRO 125 HA -0.26 0.22 0.58 -0.51 4.44 4.47 2ehzA1 PRO 125 HB2 -1.42 0.07 -0.08 -0.04 2.28 0.81 2ehzA1 PRO 125 HB3 -0.47 0.03 0.04 -0.04 2.02 1.57 2ehzA1 PRO 125 HG2 -0.55 0.01 -0.00 -0.04 2.03 1.44 2ehzA1 PRO 125 HG3 -0.47 0.04 0.02 -0.04 2.03 1.58 2ehzA1 PRO 125 HD2 -0.01 0.05 0.24 -0.04 3.68 3.92 2ehzA1 PRO 125 HD3 0.20 0.08 0.08 -0.04 3.65 3.97 2ehzA1 ARG 126 H -0.35 0.34 0.27 -0.55 8.46 8.17 2ehzA1 ARG 126 HA -0.22 0.08 0.75 -0.75 4.34 4.20 2ehzA1 ARG 126 HB2 -0.23 0.12 0.12 -0.04 1.90 1.87 2ehzA1 ARG 126 HB3 -0.22 -0.02 0.23 -0.04 1.80 1.74 2ehzA1 ARG 126 HG2 -0.07 -0.08 -0.35 -0.04 1.67 1.12 2ehzA1 ARG 126 HG3 -0.13 0.01 -0.01 -0.04 1.67 1.50 2ehzA1 ARG 126 HD2 -0.18 0.01 -0.02 -0.04 3.22 2.98 2ehzA1 ARG 126 HD3 -0.34 0.02 -0.01 -0.04 3.22 2.86 2ehzA1 ILE 127 H -0.17 0.25 0.18 -0.55 8.25 7.97 2ehzA1 ILE 127 HA -0.11 0.08 0.85 -0.75 4.18 4.24 2ehzA1 ILE 127 HB -0.10 -0.02 0.08 -0.04 1.89 1.81 2ehzA1 ILE 127 HG12 -0.30 0.14 -0.13 -0.04 1.49 1.15 2ehzA1 ILE 127 HG13 -0.19 -0.01 -0.07 -0.04 1.21 0.90 2ehzA1 ILE 127 HG23 0.04 -0.02 -0.26 -0.04 0.93 0.64 2ehzA1 ILE 127 HD13 -0.99 0.02 -0.34 -0.04 0.88 -0.48 2ehzA1 ASP 128 H 0.12 0.69 0.10 -0.55 8.40 8.77 2ehzA1 ASP 128 HA 0.05 0.09 0.90 -0.75 4.63 4.91 2ehzA1 ASP 128 HB2 0.12 0.23 0.12 -0.04 2.71 3.15 2ehzA1 ASP 128 HB3 0.10 -0.06 0.10 -0.04 2.70 2.79 2ehzA1 MET 129 H 0.01 0.28 -0.12 -0.55 8.47 8.08 2ehzA1 MET 129 HA -0.11 0.07 0.31 -0.75 4.52 4.03 2ehzA1 MET 129 HB2 -0.06 0.00 0.05 -0.04 2.15 2.11 2ehzA1 MET 129 HB3 -0.15 0.03 0.01 -0.04 2.03 1.89 2ehzA1 MET 129 HG2 -0.09 0.02 -0.04 -0.04 2.63 2.47 2ehzA1 MET 129 HG3 -0.13 0.02 -0.00 -0.04 2.56 2.41 2ehzA1 MET 129 HE3 -0.74 0.01 0.02 -0.04 2.10 1.35 2ehzA1 SER 130 H 0.05 0.03 -0.31 -0.55 8.46 7.68 2ehzA1 SER 130 HA 0.06 0.10 0.47 -0.75 4.49 4.36 2ehzA1 SER 130 HB2 0.04 0.03 0.06 -0.04 3.95 4.04 2ehzA1 SER 130 HB3 0.03 -0.04 0.05 -0.04 3.93 3.93 2ehzA1 ASN 131 H 0.17 0.43 -0.58 -0.55 8.53 8.00 2ehzA1 ASN 131 HA 0.08 0.18 0.82 -0.75 4.76 5.09 2ehzA1 ASN 131 HB2 0.07 -0.13 -0.12 -0.04 2.88 2.66 2ehzA1 ASN 131 HB3 0.10 0.04 0.15 -0.04 2.79 3.04 2ehzA1 ASN 131 HD21 0.03 -0.02 -0.04 -0.04 7.03 6.96 2ehzA1 ASN 131 HD22 0.04 -0.04 -0.01 -0.04 7.74 7.69 2ehzA1 PRO 132 HA -0.19 -0.06 0.34 -0.51 4.44 4.02 2ehzA1 PRO 132 HB2 0.01 0.13 -0.05 -0.04 2.28 2.33 2ehzA1 PRO 132 HB3 0.10 -0.04 0.07 -0.04 2.02 2.11 2ehzA1 PRO 132 HG2 0.04 0.03 0.01 -0.04 2.03 2.07 2ehzA1 PRO 132 HG3 0.11 -0.00 0.02 -0.04 2.03 2.12 2ehzA1 PRO 132 HD2 0.07 0.12 0.14 -0.04 3.68 3.97 2ehzA1 PRO 132 HD3 0.17 0.16 -0.24 -0.04 3.65 3.70 2ehzA1 PHE 133 H -0.11 -0.06 0.01 -0.55 8.34 7.63 2ehzA1 PHE 133 HA 0.02 0.06 0.36 -0.75 4.62 4.31 2ehzA1 PHE 133 HB2 -0.05 -0.07 -0.05 -0.04 3.15 2.94 2ehzA1 PHE 133 HB3 -0.08 -0.06 0.03 -0.04 3.06 2.91 2ehzA1 PHE 133 HD2 0.05 -0.04 -0.18 -0.04 7.28 7.07 2ehzA1 PHE 133 HE2 0.11 -0.02 -0.02 -0.04 7.38 7.41 2ehzA1 PHE 133 HZ 0.39 0.23 0.04 -0.04 7.32 7.94 2ehzA1 HIS 134 H -0.26 0.16 0.03 -0.55 8.41 7.79 2ehzA1 HIS 134 HA -0.37 0.16 0.74 -0.75 4.63 4.40 2ehzA1 HIS 134 HB2 -0.12 0.10 -0.12 -0.04 3.26 3.08 2ehzA1 HIS 134 HB3 -0.14 -0.06 0.12 -0.04 3.20 3.08 2ehzA1 HIS 134 HD2 -0.07 -0.05 -0.06 -0.04 6.97 6.75 2ehzA1 HIS 134 HE1 -0.08 -0.06 -0.02 -0.04 7.75 7.55 2ehzA1 PRO 135 HA -0.45 0.03 0.21 -0.51 4.44 3.72 2ehzA1 PRO 135 HB2 -0.10 0.14 0.11 -0.04 2.28 2.39 2ehzA1 PRO 135 HB3 -0.01 -0.01 0.14 -0.04 2.02 2.09 2ehzA1 PRO 135 HG2 -0.32 0.04 0.07 -0.04 2.03 1.79 2ehzA1 PRO 135 HG3 -0.17 -0.02 0.11 -0.04 2.03 1.90 2ehzA1 PRO 135 HD2 -0.49 0.07 0.15 -0.04 3.68 3.37 2ehzA1 PRO 135 HD3 -0.67 0.11 -0.01 -0.04 3.65 3.04 2ehzA1 GLY 136 H 0.04 0.34 -0.28 -0.55 8.43 7.97 2ehzA1 GLY 136 HA2 -0.06 -0.01 0.46 -0.51 4.01 3.89 2ehzA1 GLY 136 HA3 0.02 0.06 0.41 -0.51 4.01 3.99 2ehzA1 ARG 137 H -0.05 0.18 -0.20 -0.55 8.46 7.84 2ehzA1 ARG 137 HA -0.08 0.08 0.36 -0.75 4.34 3.94 2ehzA1 ARG 137 HB2 -0.05 -0.05 0.13 -0.04 1.90 1.89 2ehzA1 ARG 137 HB3 -0.00 0.10 -0.06 -0.04 1.80 1.80 2ehzA1 ARG 137 HG2 0.03 -0.10 -0.08 -0.04 1.67 1.48 2ehzA1 ARG 137 HG3 -0.09 0.14 -0.45 -0.04 1.67 1.23 2ehzA1 ARG 137 HD2 0.02 -0.08 -0.02 -0.04 3.22 3.11 2ehzA1 ARG 137 HD3 0.11 0.28 -0.05 -0.04 3.22 3.52 2ehzA1 PRO 138 HA -0.20 0.06 0.49 -0.51 4.44 4.29 2ehzA1 PRO 138 HB2 -0.26 -0.03 0.01 -0.04 2.28 1.95 2ehzA1 PRO 138 HB3 -0.19 0.02 0.05 -0.04 2.02 1.85 2ehzA1 PRO 138 HG2 -0.13 0.01 0.05 -0.04 2.03 1.91 2ehzA1 PRO 138 HG3 -0.13 0.05 0.04 -0.04 2.03 1.95 2ehzA1 PRO 138 HD2 -0.14 0.09 0.17 -0.04 3.68 3.75 2ehzA1 PRO 138 HD3 -0.10 0.14 0.14 -0.04 3.65 3.78 2ehzA1 LEU 139 H -0.19 0.23 0.22 -0.55 8.37 8.08 2ehzA1 LEU 139 HA -0.25 0.13 0.88 -0.75 4.35 4.36 2ehzA1 LEU 139 HB2 -0.09 0.13 0.10 -0.04 1.64 1.74 2ehzA1 LEU 139 HB3 -0.11 -0.27 -0.04 -0.04 1.64 1.17 2ehzA1 LEU 139 HG -0.04 0.19 -0.16 -0.04 1.64 1.58 2ehzA1 LEU 139 HD13 0.11 -0.01 -0.03 -0.04 0.93 0.96 2ehzA1 LEU 139 HD23 -0.06 0.02 -0.04 -0.04 0.89 0.77 2ehzA1 HIS 140 H -0.19 0.10 0.09 -0.55 8.41 7.86 2ehzA1 HIS 140 HA -0.18 0.15 0.62 -0.75 4.63 4.47 2ehzA1 HIS 140 HB2 -0.21 -0.17 0.07 -0.04 3.26 2.92 2ehzA1 HIS 140 HB3 -0.16 0.01 0.04 -0.04 3.20 3.05 2ehzA1 HIS 140 HD2 -0.19 0.00 -0.18 -0.04 6.97 6.56 2ehzA1 HIS 140 HE1 -0.09 0.03 -0.03 -0.04 7.75 7.61 2ehzA1 GLY 141 H -0.20 -0.01 -0.13 -0.55 8.43 7.55 2ehzA1 GLY 141 HA2 -0.40 0.26 0.79 -0.51 4.01 4.15 2ehzA1 GLY 141 HA3 -0.49 -0.16 0.34 -0.51 4.01 3.19 2ehzA1 LYS 142 H 0.06 0.02 0.19 -0.55 8.42 8.13 2ehzA1 LYS 142 HA 0.05 0.24 0.65 -0.75 4.32 4.50 2ehzA1 LYS 142 HB2 0.09 -0.01 0.26 -0.04 1.87 2.17 2ehzA1 LYS 142 HB3 0.13 0.14 -0.08 -0.04 1.79 1.93 2ehzA1 LYS 142 HG2 0.10 -0.15 -0.03 -0.04 1.46 1.34 2ehzA1 LYS 142 HG3 0.08 0.19 0.01 -0.04 1.46 1.71 2ehzA1 LYS 142 HD2 0.08 0.01 0.06 -0.04 1.69 1.80 2ehzA1 LYS 142 HD3 0.10 0.03 -0.03 -0.04 1.68 1.74 2ehzA1 LYS 142 HE2 0.11 -0.04 -0.01 -0.04 2.99 3.02 2ehzA1 LYS 142 HE3 0.09 0.02 0.03 -0.04 2.99 3.10 2ehzA1 PHE 143 H 0.05 0.26 0.25 -0.55 8.34 8.34 2ehzA1 PHE 143 HA 0.01 0.18 1.14 -0.75 4.62 5.20 2ehzA1 PHE 143 HB2 -0.26 0.09 0.14 -0.04 3.15 3.08 2ehzA1 PHE 143 HB3 -0.16 0.12 0.03 -0.04 3.06 3.01 2ehzA1 PHE 143 HD2 -0.42 0.08 -0.03 -0.04 7.28 6.87 2ehzA1 PHE 143 HE2 -0.15 0.05 -0.15 -0.04 7.38 7.09 2ehzA1 PHE 143 HZ 0.11 0.19 -0.20 -0.04 7.32 7.38 2ehzA1 VAL 144 H 0.14 0.75 0.23 -0.55 8.24 8.81 2ehzA1 VAL 144 HA 0.06 0.01 0.73 -0.75 4.13 4.18 2ehzA1 VAL 144 HB 0.05 0.01 0.12 -0.04 2.12 2.26 2ehzA1 VAL 144 HG13 0.01 0.01 -0.12 -0.04 0.97 0.83 2ehzA1 VAL 144 HG23 0.08 -0.03 -0.20 -0.04 0.95 0.76 2ehzA1 THR 145 H 0.01 0.07 -0.04 -0.55 8.28 7.76 2ehzA1 THR 145 HA -0.09 0.61 0.65 -0.75 4.39 4.81 2ehzA1 THR 145 HB -0.25 0.01 -0.00 -0.04 4.32 4.03 2ehzA1 THR 145 HG23 -0.17 0.01 -0.27 -0.04 1.22 0.75 2ehzA1 GLY 146 H -0.05 0.10 0.12 -0.55 8.43 8.06 2ehzA1 GLY 146 HA2 0.09 0.05 0.37 -0.51 4.01 4.01 2ehzA1 GLY 146 HA3 0.05 0.02 0.43 -0.51 4.01 4.00 2ehzA1 ASP 147 H 0.05 0.14 0.23 -0.55 8.40 8.27 2ehzA1 ASP 147 HA 0.07 0.09 0.35 -0.75 4.63 4.38 2ehzA1 ASP 147 HB2 0.03 -0.00 0.12 -0.04 2.71 2.81 2ehzA1 ASP 147 HB3 0.03 0.02 0.16 -0.04 2.70 2.87 2ehzA1 GLN 148 H 0.01 0.43 -0.47 -0.55 8.47 7.88 2ehzA1 GLN 148 HA 0.02 -0.00 0.71 -0.75 4.36 4.34 2ehzA1 GLN 148 HB2 -0.01 0.25 -0.05 -0.04 2.15 2.31 2ehzA1 GLN 148 HB3 -0.00 -0.04 0.04 -0.04 2.02 1.98 2ehzA1 GLN 148 HG2 0.00 -0.17 -0.15 -0.04 2.40 2.04 2ehzA1 GLN 148 HG3 0.01 -0.07 -0.10 -0.04 2.39 2.18 2ehzA1 GLN 148 HE21 -0.01 0.02 -0.08 -0.04 6.97 6.85 2ehzA1 GLN 148 HE22 0.00 -0.04 -0.06 -0.04 7.69 7.55 2ehzA1 GLY 149 H -0.04 0.38 -0.37 -0.55 8.43 7.86 2ehzA1 GLY 149 HA2 -0.18 0.02 0.27 -0.51 4.01 3.61 2ehzA1 GLY 149 HA3 -0.05 -0.04 0.51 -0.51 4.01 3.91 2ehzA1 LEU 150 H -0.19 0.55 0.30 -0.55 8.37 8.48 2ehzA1 LEU 150 HA -0.24 0.01 0.26 -0.75 4.35 3.63 2ehzA1 LEU 150 HB2 -0.22 -0.09 0.05 -0.04 1.64 1.34 2ehzA1 LEU 150 HB3 -0.29 0.08 0.08 -0.04 1.64 1.47 2ehzA1 LEU 150 HG -0.17 0.02 -0.04 -0.04 1.64 1.41 2ehzA1 LEU 150 HD13 -0.14 -0.01 -0.37 -0.04 0.93 0.37 2ehzA1 LEU 150 HD23 -0.15 0.02 -0.35 -0.04 0.89 0.37 2ehzA1 GLY 151 H -0.07 0.24 -0.01 -0.55 8.43 8.04 2ehzA1 GLY 151 HA2 -0.07 -0.02 0.40 -0.51 4.01 3.81 2ehzA1 GLY 151 HA3 -0.12 0.29 0.58 -0.51 4.01 4.25 2ehzA1 HIS 152 H -0.24 0.32 0.31 -0.55 8.41 8.25 2ehzA1 HIS 152 HA 0.03 0.30 0.87 -0.75 4.63 5.07 2ehzA1 HIS 152 HB2 0.11 -0.07 -0.31 -0.04 3.26 2.96 2ehzA1 HIS 152 HB3 -0.03 0.28 -0.08 -0.04 3.20 3.32 2ehzA1 HIS 152 HD2 -0.26 0.05 -0.12 -0.04 6.97 6.59 2ehzA1 HIS 152 HE1 0.55 -0.02 -0.24 -0.04 7.75 7.99 2ehzA1 CYS 153 H 0.17 0.50 0.21 -0.55 8.50 8.83 2ehzA1 CYS 153 HA -0.13 0.28 0.96 -0.75 4.58 4.94 2ehzA1 CYS 153 HB2 -0.01 0.00 0.05 -0.04 2.97 2.97 2ehzA1 CYS 153 HB3 -0.12 0.06 -0.03 -0.04 2.97 2.84 2ehzA1 ILE 154 H -0.44 0.32 0.22 -0.55 8.25 7.79 2ehzA1 ILE 154 HA -0.07 0.36 0.90 -0.75 4.18 4.61 2ehzA1 ILE 154 HB -0.09 -0.11 0.11 -0.04 1.89 1.76 2ehzA1 ILE 154 HG12 -0.16 0.02 -0.13 -0.04 1.49 1.18 2ehzA1 ILE 154 HG13 0.03 -0.03 -0.19 -0.04 1.21 0.97 2ehzA1 ILE 154 HG23 0.02 0.01 -0.17 -0.04 0.93 0.74 2ehzA1 ILE 154 HD13 0.14 -0.00 -0.16 -0.04 0.88 0.81 2ehzA1 VAL 155 H 0.04 0.50 0.29 -0.55 8.24 8.52 2ehzA1 VAL 155 HA -0.02 0.20 1.09 -0.75 4.13 4.64 2ehzA1 VAL 155 HB -0.00 0.05 0.15 -0.04 2.12 2.28 2ehzA1 VAL 155 HG13 -0.02 -0.03 -0.18 -0.04 0.97 0.69 2ehzA1 VAL 155 HG23 0.08 0.00 -0.09 -0.04 0.95 0.90 2ehzA1 ARG 156 H -0.01 0.50 0.32 -0.55 8.46 8.72 2ehzA1 ARG 156 HA 0.01 0.04 0.53 -0.75 4.34 4.17 2ehzA1 ARG 156 HB2 0.00 0.16 0.14 -0.04 1.90 2.16 2ehzA1 ARG 156 HB3 -0.02 -0.07 0.15 -0.04 1.80 1.82 2ehzA1 ARG 156 HG2 -0.02 -0.07 -0.24 -0.04 1.67 1.30 2ehzA1 ARG 156 HG3 0.00 0.06 0.06 -0.04 1.67 1.75 2ehzA1 ARG 156 HD2 -0.00 -0.05 -0.03 -0.04 3.22 3.10 2ehzA1 ARG 156 HD3 0.01 0.11 -0.10 -0.04 3.22 3.20 2ehzA1 GLN 157 H -0.01 0.33 0.36 -0.55 8.47 8.60 2ehzA1 GLN 157 HA -0.10 0.08 0.65 -0.75 4.36 4.25 2ehzA1 GLN 157 HB2 -0.08 0.14 -0.08 -0.04 2.15 2.09 2ehzA1 GLN 157 HB3 -0.18 -0.20 -0.09 -0.04 2.02 1.51 2ehzA1 GLN 157 HG2 -0.17 0.15 -0.48 -0.04 2.40 1.85 2ehzA1 GLN 157 HG3 -0.91 -0.06 -0.16 -0.04 2.39 1.22 2ehzA1 GLN 157 HE21 -0.07 -0.11 -0.03 -0.04 6.97 6.72 2ehzA1 GLN 157 HE22 -0.22 0.05 -0.16 -0.04 7.69 7.32 2ehzA1 THR 158 H -0.07 0.09 0.09 -0.55 8.28 7.84 2ehzA1 THR 158 HA -0.02 0.26 0.94 -0.75 4.39 4.81 2ehzA1 THR 158 HB -0.02 0.01 0.08 -0.04 4.32 4.34 2ehzA1 THR 158 HG23 -0.03 0.02 -0.08 -0.04 1.22 1.09 2ehzA1 ASP 159 H -0.07 0.08 -0.04 -0.55 8.40 7.82 2ehzA1 ASP 159 HA -0.01 0.19 0.75 -0.75 4.63 4.80 2ehzA1 ASP 159 HB2 -0.02 0.16 -0.16 -0.04 2.71 2.65 2ehzA1 ASP 159 HB3 -0.03 -0.05 0.13 -0.04 2.70 2.70 2ehzA1 VAL 160 H 0.01 0.26 0.03 -0.55 8.24 7.99 2ehzA1 VAL 160 HA 0.00 0.09 0.26 -0.75 4.13 3.72 2ehzA1 VAL 160 HB 0.06 0.02 0.07 -0.04 2.12 2.23 2ehzA1 VAL 160 HG13 0.24 0.03 -0.17 -0.04 0.97 1.03 2ehzA1 VAL 160 HG23 0.12 0.04 -0.16 -0.04 0.95 0.91 2ehzA1 ALA 161 H 0.03 0.12 -0.09 -0.55 8.40 7.91 2ehzA1 ALA 161 HA 0.07 0.11 0.39 -0.75 4.34 4.16 2ehzA1 ALA 161 HB3 0.02 0.03 0.05 -0.04 1.41 1.47 2ehzA1 GLU 162 H 0.01 0.06 -0.31 -0.55 8.60 7.82 2ehzA1 GLU 162 HA 0.06 0.12 0.46 -0.75 4.29 4.18 2ehzA1 GLU 162 HB2 -0.02 0.03 0.11 -0.04 2.09 2.16 2ehzA1 GLU 162 HB3 -0.00 0.04 -0.00 -0.04 1.99 1.98 2ehzA1 GLU 162 HG2 0.01 0.06 0.02 -0.04 2.34 2.39 2ehzA1 GLU 162 HG3 0.00 -0.08 0.01 -0.04 2.34 2.23 2ehzA1 ALA 163 H -0.07 0.47 -0.07 -0.55 8.40 8.19 2ehzA1 ALA 163 HA -0.12 -0.01 0.48 -0.75 4.34 3.94 2ehzA1 ALA 163 HB3 -0.56 0.01 0.04 -0.04 1.41 0.85 2ehzA1 HIS 164 H 0.19 0.68 -0.13 -0.55 8.41 8.61 2ehzA1 HIS 164 HA 0.26 0.01 0.33 -0.75 4.63 4.47 2ehzA1 HIS 164 HB2 0.19 -0.02 0.04 -0.04 3.26 3.43 2ehzA1 HIS 164 HB3 0.09 0.08 0.11 -0.04 3.20 3.44 2ehzA1 HIS 164 HD2 0.08 -0.06 -0.05 -0.04 6.97 6.89 2ehzA1 HIS 164 HE1 0.03 -0.00 -0.02 -0.04 7.75 7.72 2ehzA1 LYS 165 H 0.17 0.47 -0.19 -0.55 8.42 8.32 2ehzA1 LYS 165 HA 0.11 0.03 0.44 -0.75 4.32 4.14 2ehzA1 LYS 165 HB2 0.12 0.02 0.15 -0.04 1.87 2.11 2ehzA1 LYS 165 HB3 0.14 0.10 0.19 -0.04 1.79 2.18 2ehzA1 LYS 165 HG2 0.17 0.01 -0.16 -0.04 1.46 1.45 2ehzA1 LYS 165 HG3 0.10 -0.02 0.04 -0.04 1.46 1.54 2ehzA1 LYS 165 HD2 0.07 -0.05 0.00 -0.04 1.69 1.67 2ehzA1 LYS 165 HD3 0.11 -0.01 0.01 -0.04 1.68 1.75 2ehzA1 LYS 165 HE2 0.05 -0.01 0.00 -0.04 2.99 2.99 2ehzA1 LYS 165 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2ehzA1 PHE 166 H 0.13 0.46 -0.14 -0.55 8.34 8.23 2ehzA1 PHE 166 HA -0.35 0.05 0.43 -0.75 4.62 4.00 2ehzA1 PHE 166 HB2 -0.27 0.02 0.14 -0.04 3.15 3.01 2ehzA1 PHE 166 HB3 -0.42 0.07 0.23 -0.04 3.06 2.90 2ehzA1 PHE 166 HD2 -1.50 0.02 -0.05 -0.04 7.28 5.71 2ehzA1 PHE 166 HE2 -0.61 -0.00 -0.11 -0.04 7.38 6.62 2ehzA1 PHE 166 HZ -0.25 -0.02 -0.21 -0.04 7.32 6.79 2ehzA1 TYR 167 H -0.02 0.59 -0.01 -0.55 8.29 8.29 2ehzA1 TYR 167 HA -0.52 0.01 0.42 -0.75 4.56 3.71 2ehzA1 TYR 167 HB2 -0.23 0.08 0.01 -0.04 3.06 2.88 2ehzA1 TYR 167 HB3 -0.78 -0.04 -0.06 -0.04 2.98 2.06 2ehzA1 TYR 167 HD2 -0.81 0.10 -0.07 -0.04 7.15 6.33 2ehzA1 TYR 167 HE2 -0.31 -0.04 -0.06 -0.04 6.85 6.40 2ehzA1 SER 168 H -0.15 0.61 -0.22 -0.55 8.46 8.14 2ehzA1 SER 168 HA -0.09 0.27 0.50 -0.75 4.49 4.42 2ehzA1 SER 168 HB2 -0.07 0.05 0.14 -0.04 3.95 4.03 2ehzA1 SER 168 HB3 -0.05 0.00 0.04 -0.04 3.93 3.87 2ehzA1 LEU 169 H -0.16 0.51 -0.14 -0.55 8.37 8.03 2ehzA1 LEU 169 HA -0.09 0.02 0.47 -0.75 4.35 4.00 2ehzA1 LEU 169 HB2 -0.08 0.03 0.14 -0.04 1.64 1.70 2ehzA1 LEU 169 HB3 -0.35 0.12 0.15 -0.04 1.64 1.52 2ehzA1 LEU 169 HG -0.07 -0.03 0.01 -0.04 1.64 1.51 2ehzA1 LEU 169 HD13 0.07 0.01 -0.09 -0.04 0.93 0.87 2ehzA1 LEU 169 HD23 -0.23 -0.02 -0.33 -0.04 0.89 0.27 2ehzA1 LEU 170 H -0.33 0.35 -0.27 -0.55 8.37 7.57 2ehzA1 LEU 170 HA -0.20 0.03 0.48 -0.75 4.35 3.91 2ehzA1 LEU 170 HB2 -0.12 0.11 0.11 -0.04 1.64 1.69 2ehzA1 LEU 170 HB3 -0.09 -0.13 0.10 -0.04 1.64 1.48 2ehzA1 LEU 170 HG -1.06 0.20 -0.02 -0.04 1.64 0.72 2ehzA1 LEU 170 HD13 -0.55 -0.04 -0.09 -0.04 0.93 0.21 2ehzA1 LEU 170 HD23 -0.38 -0.02 -0.10 -0.04 0.89 0.35 2ehzA1 GLY 171 H -0.06 0.42 -0.53 -0.55 8.43 7.71 2ehzA1 GLY 171 HA2 -0.08 0.06 0.29 -0.51 4.01 3.78 2ehzA1 GLY 171 HA3 -0.12 0.03 0.82 -0.51 4.01 4.22 2ehzA1 PHE 172 H 0.24 0.38 0.04 -0.55 8.34 8.45 2ehzA1 PHE 172 HA -0.18 0.26 0.68 -0.75 4.62 4.62 2ehzA1 PHE 172 HB2 -0.15 -0.04 -0.27 -0.04 3.15 2.65 2ehzA1 PHE 172 HB3 -0.19 -0.08 -0.16 -0.04 3.06 2.59 2ehzA1 PHE 172 HD2 -0.22 0.07 -0.29 -0.04 7.28 6.80 2ehzA1 PHE 172 HE2 -0.49 -0.06 -0.16 -0.04 7.38 6.63 2ehzA1 PHE 172 HZ -2.44 -0.05 -0.17 -0.04 7.32 4.62 2ehzA1 ARG 173 H -0.28 0.55 0.37 -0.55 8.46 8.55 2ehzA1 ARG 173 HA -0.09 0.12 0.84 -0.75 4.34 4.47 2ehzA1 ARG 173 HB2 -0.13 0.08 -0.05 -0.04 1.90 1.76 2ehzA1 ARG 173 HB3 -0.59 0.02 0.11 -0.04 1.80 1.29 2ehzA1 ARG 173 HG2 0.06 -0.02 -0.04 -0.04 1.67 1.63 2ehzA1 ARG 173 HG3 -0.01 -0.03 -0.03 -0.04 1.67 1.56 2ehzA1 ARG 173 HD2 0.01 0.01 0.06 -0.04 3.22 3.25 2ehzA1 ARG 173 HD3 0.03 -0.02 0.01 -0.04 3.22 3.20 2ehzA1 GLY 174 H 0.06 0.18 0.18 -0.55 8.43 8.31 2ehzA1 GLY 174 HA2 0.11 0.02 0.38 -0.51 4.01 4.01 2ehzA1 GLY 174 HA3 0.07 0.37 1.01 -0.51 4.01 4.95 2ehzA1 ASP 175 H 0.10 0.30 0.21 -0.55 8.40 8.47 2ehzA1 ASP 175 HA 0.10 0.10 0.61 -0.75 4.63 4.69 2ehzA1 ASP 175 HB2 0.06 0.01 -0.30 -0.04 2.71 2.43 2ehzA1 ASP 175 HB3 0.01 0.11 0.04 -0.04 2.70 2.83 2ehzA1 VAL 176 H -0.01 0.11 0.11 -0.55 8.24 7.91 2ehzA1 VAL 176 HA 0.07 0.10 0.47 -0.75 4.13 4.03 2ehzA1 VAL 176 HB -0.06 0.00 0.11 -0.04 2.12 2.14 2ehzA1 VAL 176 HG13 -0.01 0.00 -0.17 -0.04 0.97 0.75 2ehzA1 VAL 176 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 2ehzA1 GLU 177 H 0.30 0.49 0.56 -0.55 8.60 9.41 2ehzA1 GLU 177 HA -0.00 0.37 1.14 -0.75 4.29 5.04 2ehzA1 GLU 177 HB2 0.20 -0.06 0.12 -0.04 2.09 2.31 2ehzA1 GLU 177 HB3 -0.05 -0.08 0.14 -0.04 1.99 1.96 2ehzA1 GLU 177 HG2 0.01 0.22 0.13 -0.04 2.34 2.66 2ehzA1 GLU 177 HG3 0.14 0.06 -0.10 -0.04 2.34 2.40 2ehzA1 TYR 178 H 0.36 0.30 0.34 -0.55 8.29 8.74 2ehzA1 TYR 178 HA 0.22 0.33 1.01 -0.75 4.56 5.36 2ehzA1 TYR 178 HB2 0.23 -0.10 0.10 -0.04 3.06 3.25 2ehzA1 TYR 178 HB3 0.16 0.08 -0.12 -0.04 2.98 3.05 2ehzA1 TYR 178 HD2 0.11 0.01 -0.25 -0.04 7.15 6.97 2ehzA1 TYR 178 HE2 -0.37 -0.02 -0.22 -0.04 6.85 6.20 2ehzA1 ARG 179 H 0.26 0.65 0.20 -0.55 8.46 9.02 2ehzA1 ARG 179 HA 0.11 0.20 0.72 -0.75 4.34 4.62 2ehzA1 ARG 179 HB2 0.16 0.01 0.12 -0.04 1.90 2.16 2ehzA1 ARG 179 HB3 0.06 -0.01 -0.02 -0.04 1.80 1.78 2ehzA1 ARG 179 HG2 -0.04 0.02 -0.13 -0.04 1.67 1.48 2ehzA1 ARG 179 HG3 -0.13 -0.03 -0.28 -0.04 1.67 1.19 2ehzA1 ARG 179 HD2 -0.44 -0.01 -0.11 -0.04 3.22 2.62 2ehzA1 ARG 179 HD3 -0.17 0.01 -0.08 -0.04 3.22 2.94 2ehzA1 ILE 180 H 0.13 0.65 0.11 -0.55 8.25 8.59 2ehzA1 ILE 180 HA 0.14 0.32 0.76 -0.75 4.18 4.65 2ehzA1 ILE 180 HB 0.10 -0.09 0.05 -0.04 1.89 1.90 2ehzA1 ILE 180 HG12 0.23 0.13 -0.23 -0.04 1.49 1.57 2ehzA1 ILE 180 HG13 0.28 -0.17 -0.32 -0.04 1.21 0.96 2ehzA1 ILE 180 HG23 0.08 0.05 -0.14 -0.04 0.93 0.88 2ehzA1 ILE 180 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 2ehzA1 PRO 181 HA 0.05 0.10 0.60 -0.51 4.44 4.68 2ehzA1 PRO 181 HB2 0.05 0.03 -0.03 -0.04 2.28 2.28 2ehzA1 PRO 181 HB3 0.05 0.01 0.10 -0.04 2.02 2.14 2ehzA1 PRO 181 HG2 0.06 0.00 0.11 -0.04 2.03 2.16 2ehzA1 PRO 181 HG3 0.06 0.01 0.11 -0.04 2.03 2.17 2ehzA1 PRO 181 HD2 0.10 0.20 0.34 -0.04 3.68 4.28 2ehzA1 PRO 181 HD3 0.09 0.18 0.28 -0.04 3.65 4.15 2ehzA1 LEU 182 H 0.04 0.68 0.30 -0.55 8.37 8.85 2ehzA1 LEU 182 HA 0.04 0.23 0.84 -0.75 4.35 4.70 2ehzA1 LEU 182 HB2 0.03 -0.07 0.01 -0.04 1.64 1.57 2ehzA1 LEU 182 HB3 0.03 -0.07 0.07 -0.04 1.64 1.63 2ehzA1 LEU 182 HG 0.04 0.04 -0.17 -0.04 1.64 1.50 2ehzA1 LEU 182 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.76 2ehzA1 LEU 182 HD23 0.03 0.03 -0.09 -0.04 0.89 0.83 2ehzA1 PRO 183 HA 0.03 0.11 0.42 -0.51 4.44 4.49 2ehzA1 PRO 183 HB2 0.02 0.00 0.04 -0.04 2.28 2.31 2ehzA1 PRO 183 HB3 0.02 0.05 0.11 -0.04 2.02 2.16 2ehzA1 PRO 183 HG2 0.02 0.06 0.09 -0.04 2.03 2.16 2ehzA1 PRO 183 HG3 0.03 0.07 0.11 -0.04 2.03 2.20 2ehzA1 PRO 183 HD2 0.03 0.06 0.19 -0.04 3.68 3.92 2ehzA1 PRO 183 HD3 0.03 0.21 0.23 -0.04 3.65 4.08 2ehzA1 ASN 184 H 0.02 0.06 -0.29 -0.55 8.53 7.78 2ehzA1 ASN 184 HA 0.02 0.18 0.51 -0.75 4.76 4.72 2ehzA1 ASN 184 HB2 0.01 0.04 0.15 -0.04 2.88 3.04 2ehzA1 ASN 184 HB3 0.02 0.01 0.06 -0.04 2.79 2.83 2ehzA1 ASN 184 HD21 0.02 0.00 -0.03 -0.04 7.03 6.98 2ehzA1 ASN 184 HD22 0.01 0.04 0.00 -0.04 7.74 7.75 2ehzA1 GLY 185 H 0.02 0.51 -0.43 -0.55 8.43 7.98 2ehzA1 GLY 185 HA2 0.02 0.05 0.31 -0.51 4.01 3.88 2ehzA1 GLY 185 HA3 0.02 0.11 0.61 -0.51 4.01 4.24 2ehzA1 MET 186 H 0.02 -0.05 -0.35 -0.55 8.47 7.54 2ehzA1 MET 186 HA 0.02 0.15 0.60 -0.75 4.52 4.54 2ehzA1 MET 186 HB2 0.02 -0.06 -0.07 -0.04 2.15 2.00 2ehzA1 MET 186 HB3 0.02 0.02 0.06 -0.04 2.03 2.09 2ehzA1 MET 186 HG2 0.01 0.05 -0.05 -0.04 2.63 2.61 2ehzA1 MET 186 HG3 0.02 0.00 -0.12 -0.04 2.56 2.42 2ehzA1 MET 186 HE3 0.01 0.01 0.00 -0.04 2.10 2.08 2ehzA1 THR 187 H 0.02 0.20 0.12 -0.55 8.28 8.07 2ehzA1 THR 187 HA 0.04 0.26 0.81 -0.75 4.39 4.74 2ehzA1 THR 187 HB 0.02 -0.05 0.05 -0.04 4.32 4.30 2ehzA1 THR 187 HG23 0.05 0.01 -0.38 -0.04 1.22 0.86 2ehzA1 ALA 188 H 0.05 0.75 0.16 -0.55 8.40 8.81 2ehzA1 ALA 188 HA 0.04 0.07 0.74 -0.75 4.34 4.44 2ehzA1 ALA 188 HB3 0.05 0.01 0.01 -0.04 1.41 1.43 2ehzA1 GLU 189 H 0.04 0.15 0.20 -0.55 8.60 8.44 2ehzA1 GLU 189 HA 0.08 0.43 1.08 -0.75 4.29 5.13 2ehzA1 GLU 189 HB2 0.02 -0.08 0.19 -0.04 2.09 2.19 2ehzA1 GLU 189 HB3 0.02 -0.02 0.02 -0.04 1.99 1.97 2ehzA1 GLU 189 HG2 0.00 0.08 -0.03 -0.04 2.34 2.35 2ehzA1 GLU 189 HG3 0.01 0.04 -0.09 -0.04 2.34 2.26 2ehzA1 LEU 190 H 0.17 0.55 0.33 -0.55 8.37 8.88 2ehzA1 LEU 190 HA -0.04 0.21 0.99 -0.75 4.35 4.75 2ehzA1 LEU 190 HB2 0.32 -0.06 0.08 -0.04 1.64 1.94 2ehzA1 LEU 190 HB3 -0.20 0.03 -0.08 -0.04 1.64 1.34 2ehzA1 LEU 190 HG 0.07 0.01 -0.33 -0.04 1.64 1.36 2ehzA1 LEU 190 HD13 -0.01 0.00 -0.14 -0.04 0.93 0.74 2ehzA1 LEU 190 HD23 -0.02 0.03 -0.21 -0.04 0.89 0.65 2ehzA1 SER 191 H -0.29 0.79 0.37 -0.55 8.46 8.78 2ehzA1 SER 191 HA 0.02 0.22 0.83 -0.75 4.49 4.81 2ehzA1 SER 191 HB2 -0.42 0.03 0.02 -0.04 3.95 3.54 2ehzA1 SER 191 HB3 -0.15 0.06 -0.23 -0.04 3.93 3.56 2ehzA1 PHE 192 H 0.08 0.57 0.24 -0.55 8.34 8.68 2ehzA1 PHE 192 HA -0.29 0.15 1.05 -0.75 4.62 4.77 2ehzA1 PHE 192 HB2 -0.08 0.03 0.11 -0.04 3.15 3.18 2ehzA1 PHE 192 HB3 -0.22 0.05 -0.05 -0.04 3.06 2.80 2ehzA1 PHE 192 HD2 -0.57 0.02 -0.15 -0.04 7.28 6.54 2ehzA1 PHE 192 HE2 -0.15 -0.01 -0.19 -0.04 7.38 6.99 2ehzA1 PHE 192 HZ -0.34 0.00 -0.17 -0.04 7.32 6.77 2ehzA1 MET 193 H -0.06 0.70 0.41 -0.55 8.47 8.96 2ehzA1 MET 193 HA 0.06 0.40 1.15 -0.75 4.52 5.37 2ehzA1 MET 193 HB2 -0.18 -0.08 -0.04 -0.04 2.15 1.81 2ehzA1 MET 193 HB3 0.03 0.04 -0.17 -0.04 2.03 1.89 2ehzA1 MET 193 HG2 -0.03 0.10 -0.56 -0.04 2.63 2.10 2ehzA1 MET 193 HG3 -0.27 -0.13 -0.53 -0.04 2.56 1.59 2ehzA1 MET 193 HE3 -0.25 0.06 -0.34 -0.04 2.10 1.52 2ehzA1 HIS 194 H -0.19 0.75 0.45 -0.55 8.41 8.88 2ehzA1 HIS 194 HA 0.14 -0.05 0.98 -0.75 4.63 4.94 2ehzA1 HIS 194 HB2 0.04 0.09 0.07 -0.04 3.26 3.42 2ehzA1 HIS 194 HB3 0.09 0.30 -0.06 -0.04 3.20 3.49 2ehzA1 HIS 194 HD2 -0.01 -0.01 -0.24 -0.04 6.97 6.67 2ehzA1 HIS 194 HE1 0.04 0.05 -0.09 -0.04 7.75 7.71 2ehzA1 CYS 195 H 0.04 0.07 0.12 -0.55 8.50 8.19 2ehzA1 CYS 195 HA -0.27 0.28 0.74 -0.75 4.58 4.57 2ehzA1 CYS 195 HB2 -0.55 0.32 -0.08 -0.04 2.97 2.62 2ehzA1 CYS 195 HB3 -1.57 -0.04 -0.27 -0.04 2.97 1.06 2ehzA1 ASN 196 H 0.08 0.19 0.15 -0.55 8.53 8.40 2ehzA1 ASN 196 HA 0.02 0.11 0.42 -0.75 4.76 4.55 2ehzA1 ASN 196 HB2 0.02 -0.13 0.30 -0.04 2.88 3.03 2ehzA1 ASN 196 HB3 0.01 0.42 0.18 -0.04 2.79 3.36 2ehzA1 ASN 196 HD21 0.07 -0.12 -0.15 -0.04 7.03 6.80 2ehzA1 ASN 196 HD22 0.04 0.65 0.15 -0.04 7.74 8.54 2ehzA1 ALA 197 H 0.01 0.19 0.10 -0.55 8.40 8.16 2ehzA1 ALA 197 HA -0.03 0.12 0.31 -0.75 4.34 3.99 2ehzA1 ALA 197 HB3 -0.01 -0.00 0.06 -0.04 1.41 1.42 2ehzA1 ARG 198 H 0.02 0.05 -0.30 -0.55 8.46 7.67 2ehzA1 ARG 198 HA -0.01 0.06 0.45 -0.75 4.34 4.08 2ehzA1 ARG 198 HB2 0.02 0.04 0.09 -0.04 1.90 2.00 2ehzA1 ARG 198 HB3 0.05 -0.05 -0.09 -0.04 1.80 1.67 2ehzA1 ARG 198 HG2 -0.03 -0.06 -0.17 -0.04 1.67 1.36 2ehzA1 ARG 198 HG3 -0.01 -0.07 -0.02 -0.04 1.67 1.53 2ehzA1 ARG 198 HD2 0.07 0.05 -0.06 -0.04 3.22 3.24 2ehzA1 ARG 198 HD3 0.06 -0.12 -0.17 -0.04 3.22 2.95 2ehzA1 ASP 199 H -0.04 0.15 0.13 -0.55 8.40 8.10 2ehzA1 ASP 199 HA -0.03 0.01 0.14 -0.75 4.63 4.00 2ehzA1 ASP 199 HB2 -0.00 0.27 -0.01 -0.04 2.71 2.93 2ehzA1 ASP 199 HB3 0.01 -0.15 0.03 -0.04 2.70 2.55 2ehzA1 HIS 200 H -0.24 0.14 -0.19 -0.55 8.41 7.58 2ehzA1 HIS 200 HA 0.16 0.21 0.23 -0.75 4.63 4.47 2ehzA1 HIS 200 HB2 0.07 0.03 -0.04 -0.04 3.26 3.28 2ehzA1 HIS 200 HB3 0.16 0.08 -0.10 -0.04 3.20 3.29 2ehzA1 HIS 200 HD2 -0.57 0.02 -0.34 -0.04 6.97 6.03 2ehzA1 HIS 200 HE1 -0.19 -0.12 -0.13 -0.04 7.75 7.27 2ehzA1 SER 201 H 0.27 0.58 0.38 -0.55 8.46 9.15 2ehzA1 SER 201 HA 0.25 0.24 0.98 -0.75 4.49 5.20 2ehzA1 SER 201 HB2 0.48 0.01 0.06 -0.04 3.95 4.45 2ehzA1 SER 201 HB3 0.61 -0.06 0.10 -0.04 3.93 4.55 2ehzA1 ILE 202 H 0.18 0.42 0.34 -0.55 8.25 8.64 2ehzA1 ILE 202 HA 0.11 0.27 0.85 -0.75 4.18 4.66 2ehzA1 ILE 202 HB 0.11 0.00 -0.12 -0.04 1.89 1.84 2ehzA1 ILE 202 HG12 -0.57 -0.04 -0.05 -0.04 1.49 0.79 2ehzA1 ILE 202 HG13 -0.06 0.03 0.01 -0.04 1.21 1.15 2ehzA1 ILE 202 HG23 -0.79 -0.00 -0.11 -0.04 0.93 -0.02 2ehzA1 ILE 202 HD13 0.22 0.03 0.08 -0.04 0.88 1.17 2ehzA1 ALA 203 H -0.09 0.49 0.42 -0.55 8.40 8.67 2ehzA1 ALA 203 HA -0.83 0.18 0.78 -0.75 4.34 3.73 2ehzA1 ALA 203 HB3 -0.72 -0.01 -0.02 -0.04 1.41 0.63 2ehzA1 PHE 204 H -0.84 0.64 0.38 -0.55 8.34 7.97 2ehzA1 PHE 204 HA -0.15 0.07 0.67 -0.75 4.62 4.46 2ehzA1 PHE 204 HB2 -0.07 0.07 0.04 -0.04 3.15 3.15 2ehzA1 PHE 204 HB3 -0.10 0.22 0.06 -0.04 3.06 3.20 2ehzA1 PHE 204 HD2 -0.14 0.02 -0.33 -0.04 7.28 6.79 2ehzA1 PHE 204 HE2 -0.29 0.01 -0.19 -0.04 7.38 6.87 2ehzA1 PHE 204 HZ -0.03 0.05 -0.32 -0.04 7.32 6.98 2ehzA1 GLY 205 H 0.08 0.27 0.24 -0.55 8.43 8.47 2ehzA1 GLY 205 HA2 0.10 0.11 0.48 -0.51 4.01 4.19 2ehzA1 GLY 205 HA3 0.04 0.14 0.46 -0.51 4.01 4.13 2ehzA1 ALA 206 H 0.05 0.21 0.07 -0.55 8.40 8.18 2ehzA1 ALA 206 HA 0.02 0.32 0.76 -0.75 4.34 4.69 2ehzA1 ALA 206 HB3 0.02 -0.03 0.06 -0.04 1.41 1.42 2ehzA1 MET 207 H 0.03 0.32 -0.10 -0.55 8.47 8.17 2ehzA1 MET 207 HA 0.02 0.17 0.82 -0.75 4.52 4.78 2ehzA1 MET 207 HB2 0.03 -0.00 -0.06 -0.04 2.15 2.08 2ehzA1 MET 207 HB3 0.03 0.11 0.01 -0.04 2.03 2.13 2ehzA1 MET 207 HG2 0.03 -0.23 -0.32 -0.04 2.63 2.07 2ehzA1 MET 207 HG3 0.02 0.02 -0.11 -0.04 2.56 2.46 2ehzA1 MET 207 HE3 0.03 0.01 -0.03 -0.04 2.10 2.07 2ehzA1 PRO 208 HA 0.01 0.07 0.52 -0.51 4.44 4.53 2ehzA1 PRO 208 HB2 0.02 0.02 -0.03 -0.04 2.28 2.24 2ehzA1 PRO 208 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 2ehzA1 PRO 208 HG2 0.02 0.03 0.10 -0.04 2.03 2.13 2ehzA1 PRO 208 HG3 0.02 0.03 0.08 -0.04 2.03 2.11 2ehzA1 PRO 208 HD2 0.02 0.06 0.23 -0.04 3.68 3.95 2ehzA1 PRO 208 HD3 0.02 0.15 0.18 -0.04 3.65 3.96 2ehzA1 ALA 209 H 0.02 0.24 0.14 -0.55 8.40 8.25 2ehzA1 ALA 209 HA 0.04 0.05 0.66 -0.75 4.34 4.34 2ehzA1 ALA 209 HB3 0.03 0.03 -0.09 -0.04 1.41 1.35 2ehzA1 ALA 210 H 0.04 0.16 0.11 -0.55 8.40 8.16 2ehzA1 ALA 210 HA 0.02 0.10 0.51 -0.75 4.34 4.22 2ehzA1 ALA 210 HB3 0.04 0.01 0.07 -0.04 1.41 1.49 2ehzA1 LYS 211 H 0.06 0.05 -0.15 -0.55 8.42 7.83 2ehzA1 LYS 211 HA 0.04 0.22 0.91 -0.75 4.32 4.74 2ehzA1 LYS 211 HB2 0.11 0.07 0.03 -0.04 1.87 2.04 2ehzA1 LYS 211 HB3 0.07 -0.18 0.13 -0.04 1.79 1.77 2ehzA1 LYS 211 HG2 0.12 0.10 -0.01 -0.04 1.46 1.63 2ehzA1 LYS 211 HG3 0.12 -0.10 -0.15 -0.04 1.46 1.28 2ehzA1 LYS 211 HD2 0.32 -0.03 0.02 -0.04 1.69 1.95 2ehzA1 LYS 211 HD3 0.39 0.05 0.15 -0.04 1.68 2.23 2ehzA1 LYS 211 HE2 0.15 -0.10 0.00 -0.04 2.99 3.00 2ehzA1 LYS 211 HE3 0.24 -0.07 0.04 -0.04 2.99 3.16 2ehzA1 ARG 212 H -0.01 0.18 0.15 -0.55 8.46 8.23 2ehzA1 ARG 212 HA -0.02 0.11 0.55 -0.75 4.34 4.22 2ehzA1 ARG 212 HB2 -0.08 -0.11 0.16 -0.04 1.90 1.82 2ehzA1 ARG 212 HB3 -0.06 -0.03 0.01 -0.04 1.80 1.68 2ehzA1 ARG 212 HG2 -0.03 0.06 -0.01 -0.04 1.67 1.65 2ehzA1 ARG 212 HG3 -0.02 0.00 0.09 -0.04 1.67 1.70 2ehzA1 ARG 212 HD2 -0.04 0.11 0.08 -0.04 3.22 3.32 2ehzA1 ARG 212 HD3 -0.04 -0.07 -0.02 -0.04 3.22 3.05 2ehzA1 LEU 213 H -0.11 0.06 -0.09 -0.55 8.37 7.69 2ehzA1 LEU 213 HA -0.15 0.21 0.81 -0.75 4.35 4.47 2ehzA1 LEU 213 HB2 -0.43 -0.07 0.01 -0.04 1.64 1.10 2ehzA1 LEU 213 HB3 -0.66 -0.04 0.09 -0.04 1.64 1.00 2ehzA1 LEU 213 HG -0.55 0.00 -0.43 -0.04 1.64 0.62 2ehzA1 LEU 213 HD13 -0.29 0.06 -0.10 -0.04 0.93 0.56 2ehzA1 LEU 213 HD23 -1.70 -0.01 -0.17 -0.04 0.89 -1.03 2ehzA1 ASN 214 H -0.02 0.63 0.30 -0.55 8.53 8.89 2ehzA1 ASN 214 HA 0.17 0.09 0.76 -0.75 4.76 5.02 2ehzA1 ASN 214 HB2 0.10 0.03 -0.05 -0.04 2.88 2.91 2ehzA1 ASN 214 HB3 0.10 0.02 0.08 -0.04 2.79 2.95 2ehzA1 ASN 214 HD21 0.13 -0.05 -0.38 -0.04 7.03 6.69 2ehzA1 ASN 214 HD22 0.13 0.03 -0.01 -0.04 7.74 7.86 2ehzA1 HIS 215 H -0.04 0.31 0.28 -0.55 8.41 8.42 2ehzA1 HIS 215 HA 0.34 0.27 0.48 -0.75 4.63 4.96 2ehzA1 HIS 215 HB2 0.26 0.10 -0.14 -0.04 3.26 3.45 2ehzA1 HIS 215 HB3 0.31 0.02 -0.23 -0.04 3.20 3.26 2ehzA1 HIS 215 HD2 0.03 0.05 -0.53 -0.04 6.97 6.47 2ehzA1 HIS 215 HE1 0.25 0.01 -0.19 -0.04 7.75 7.77 2ehzA1 LEU 216 H 0.38 0.54 0.28 -0.55 8.37 9.03 2ehzA1 LEU 216 HA -0.08 0.28 0.95 -0.75 4.35 4.74 2ehzA1 LEU 216 HB2 -0.11 -0.03 -0.04 -0.04 1.64 1.43 2ehzA1 LEU 216 HB3 0.36 -0.02 0.09 -0.04 1.64 2.03 2ehzA1 LEU 216 HG 0.05 -0.02 -0.49 -0.04 1.64 1.14 2ehzA1 LEU 216 HD13 -0.10 0.05 -0.12 -0.04 0.93 0.72 2ehzA1 LEU 216 HD23 0.16 -0.02 -0.16 -0.04 0.89 0.83 2ehzA1 MET 217 H -0.26 0.73 0.30 -0.55 8.47 8.69 2ehzA1 MET 217 HA -0.12 0.22 0.96 -0.75 4.52 4.83 2ehzA1 MET 217 HB2 -0.52 -0.06 -0.06 -0.04 2.15 1.47 2ehzA1 MET 217 HB3 -1.15 -0.13 0.11 -0.04 2.03 0.82 2ehzA1 MET 217 HG2 -0.15 0.41 0.02 -0.04 2.63 2.86 2ehzA1 MET 217 HG3 -0.05 -0.10 -0.14 -0.04 2.56 2.23 2ehzA1 MET 217 HE3 0.03 -0.02 -0.25 -0.04 2.10 1.81 2ehzA1 LEU 218 H -0.10 0.39 0.19 -0.55 8.37 8.30 2ehzA1 LEU 218 HA -0.12 0.27 0.92 -0.75 4.35 4.67 2ehzA1 LEU 218 HB2 -0.08 -0.04 0.05 -0.04 1.64 1.53 2ehzA1 LEU 218 HB3 -0.17 0.04 0.03 -0.04 1.64 1.50 2ehzA1 LEU 218 HG -0.03 -0.09 -0.35 -0.04 1.64 1.14 2ehzA1 LEU 218 HD13 -0.08 -0.01 -0.10 -0.04 0.93 0.70 2ehzA1 LEU 218 HD23 -0.16 0.06 -0.08 -0.04 0.89 0.67 2ehzA1 GLU 219 H -0.00 0.33 0.21 -0.55 8.60 8.59 2ehzA1 GLU 219 HA 0.02 0.21 0.91 -0.75 4.29 4.68 2ehzA1 GLU 219 HB2 -0.00 -0.01 -0.12 -0.04 2.09 1.92 2ehzA1 GLU 219 HB3 0.03 0.09 0.15 -0.04 1.99 2.21 2ehzA1 GLU 219 HG2 0.09 0.15 -0.19 -0.04 2.34 2.35 2ehzA1 GLU 219 HG3 0.06 -0.07 -0.20 -0.04 2.34 2.09 2ehzA1 TYR 220 H 0.20 0.68 0.44 -0.55 8.29 9.06 2ehzA1 TYR 220 HA -0.08 0.22 0.90 -0.75 4.56 4.84 2ehzA1 TYR 220 HB2 0.18 0.04 0.15 -0.04 3.06 3.39 2ehzA1 TYR 220 HB3 0.04 -0.20 0.16 -0.04 2.98 2.93 2ehzA1 TYR 220 HD2 -0.18 0.04 0.05 -0.04 7.15 7.02 2ehzA1 TYR 220 HE2 -0.03 0.08 0.01 -0.04 6.85 6.87 2ehzA1 THR 221 H 0.20 0.59 0.26 -0.55 8.28 8.78 2ehzA1 THR 221 HA 0.28 0.13 0.66 -0.75 4.39 4.70 2ehzA1 THR 221 HB 0.27 0.03 0.03 -0.04 4.32 4.61 2ehzA1 THR 221 HG23 0.14 0.02 -0.25 -0.04 1.22 1.09 2ehzA1 HIS 222 H 0.32 0.12 -0.00 -0.55 8.41 8.30 2ehzA1 HIS 222 HA -0.02 0.26 0.92 -0.75 4.63 5.04 2ehzA1 HIS 222 HB2 -0.05 -0.07 0.12 -0.04 3.26 3.22 2ehzA1 HIS 222 HB3 -0.18 -0.13 -0.03 -0.04 3.20 2.83 2ehzA1 HIS 222 HD2 -0.05 -0.01 -0.06 -0.04 6.97 6.81 2ehzA1 HIS 222 HE1 0.06 0.05 -0.03 -0.04 7.75 7.78 2ehzA1 MET 223 H -1.01 0.27 0.16 -0.55 8.47 7.34 2ehzA1 MET 223 HA -1.08 0.11 0.38 -0.75 4.52 3.17 2ehzA1 MET 223 HB2 -2.85 0.08 0.13 -0.04 2.15 -0.53 2ehzA1 MET 223 HB3 -0.87 0.00 0.11 -0.04 2.03 1.23 2ehzA1 MET 223 HG2 -0.46 -0.03 -0.13 -0.04 2.63 1.97 2ehzA1 MET 223 HG3 -0.66 0.02 0.05 -0.04 2.56 1.93 2ehzA1 MET 223 HE3 -0.26 -0.00 -0.03 -0.04 2.10 1.78 2ehzA1 GLU 224 H -0.34 0.08 -0.24 -0.55 8.60 7.55 2ehzA1 GLU 224 HA -0.26 0.10 0.36 -0.75 4.29 3.74 2ehzA1 GLU 224 HB2 -0.52 -0.05 0.04 -0.04 2.09 1.51 2ehzA1 GLU 224 HB3 -0.80 0.08 0.01 -0.04 1.99 1.24 2ehzA1 GLU 224 HG2 -0.48 0.08 0.02 -0.04 2.34 1.92 2ehzA1 GLU 224 HG3 -0.30 0.03 0.01 -0.04 2.34 2.04 2ehzA1 ASP 225 H -0.19 0.17 -0.22 -0.55 8.40 7.61 2ehzA1 ASP 225 HA -0.13 0.13 0.57 -0.75 4.63 4.45 2ehzA1 ASP 225 HB2 -0.44 0.05 0.17 -0.04 2.71 2.45 2ehzA1 ASP 225 HB3 -0.84 0.16 0.05 -0.04 2.70 2.04 2ehzA1 LEU 226 H -0.28 0.26 -0.12 -0.55 8.37 7.69 2ehzA1 LEU 226 HA -0.02 0.10 0.48 -0.75 4.35 4.15 2ehzA1 LEU 226 HB2 0.28 0.03 -0.03 -0.04 1.64 1.88 2ehzA1 LEU 226 HB3 -0.02 0.07 0.11 -0.04 1.64 1.76 2ehzA1 LEU 226 HG 0.15 -0.02 -0.38 -0.04 1.64 1.34 2ehzA1 LEU 226 HD13 0.37 -0.01 -0.19 -0.04 0.93 1.07 2ehzA1 LEU 226 HD23 0.25 -0.02 -0.15 -0.04 0.89 0.93 2ehzA1 GLY 227 H -0.11 0.54 -0.08 -0.55 8.43 8.23 2ehzA1 GLY 227 HA2 0.01 0.01 0.38 -0.51 4.01 3.89 2ehzA1 GLY 227 HA3 -0.04 0.04 0.28 -0.51 4.01 3.78 2ehzA1 TYR 228 H 0.07 0.49 -0.15 -0.55 8.29 8.15 2ehzA1 TYR 228 HA -0.01 -0.01 0.46 -0.75 4.56 4.24 2ehzA1 TYR 228 HB2 -0.01 -0.00 0.14 -0.04 3.06 3.15 2ehzA1 TYR 228 HB3 -0.06 0.08 0.15 -0.04 2.98 3.11 2ehzA1 TYR 228 HD2 -0.01 0.02 -0.10 -0.04 7.15 7.02 2ehzA1 TYR 228 HE2 -0.02 0.04 -0.02 -0.04 6.85 6.80 2ehzA1 THR 229 H 0.10 0.56 -0.13 -0.55 8.28 8.26 2ehzA1 THR 229 HA 0.20 0.12 0.54 -0.75 4.39 4.50 2ehzA1 THR 229 HB 0.26 0.02 0.24 -0.04 4.32 4.79 2ehzA1 THR 229 HG23 0.48 0.02 -0.03 -0.04 1.22 1.66 2ehzA1 HIS 230 H 0.20 0.61 -0.09 -0.55 8.41 8.58 2ehzA1 HIS 230 HA -0.59 -0.01 0.41 -0.75 4.63 3.69 2ehzA1 HIS 230 HB2 -0.25 0.03 0.09 -0.04 3.26 3.09 2ehzA1 HIS 230 HB3 -0.17 0.12 0.17 -0.04 3.20 3.27 2ehzA1 HIS 230 HD2 -2.16 0.01 0.01 -0.04 6.97 4.78 2ehzA1 HIS 230 HE1 -0.14 -0.01 -0.02 -0.04 7.75 7.54 2ehzA1 GLN 231 H -0.07 0.58 -0.13 -0.55 8.47 8.31 2ehzA1 GLN 231 HA -0.22 -0.06 0.42 -0.75 4.36 3.76 2ehzA1 GLN 231 HB2 -0.28 0.17 0.19 -0.04 2.15 2.18 2ehzA1 GLN 231 HB3 -0.20 -0.07 0.06 -0.04 2.02 1.77 2ehzA1 GLN 231 HG2 -0.04 0.17 0.09 -0.04 2.40 2.58 2ehzA1 GLN 231 HG3 -0.07 -0.06 -0.01 -0.04 2.39 2.21 2ehzA1 GLN 231 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.86 2ehzA1 GLN 231 HE22 0.05 0.01 -0.03 -0.04 7.69 7.68 2ehzA1 GLN 232 H -0.16 0.58 -0.16 -0.55 8.47 8.19 2ehzA1 GLN 232 HA -0.19 -0.04 0.46 -0.75 4.36 3.85 2ehzA1 GLN 232 HB2 0.04 0.24 0.25 -0.04 2.15 2.63 2ehzA1 GLN 232 HB3 -0.12 -0.10 0.01 -0.04 2.02 1.77 2ehzA1 GLN 232 HG2 -0.53 0.13 0.06 -0.04 2.40 2.02 2ehzA1 GLN 232 HG3 0.00 0.11 0.03 -0.04 2.39 2.50 2ehzA1 GLN 232 HE21 0.03 -0.11 -0.03 -0.04 6.97 6.82 2ehzA1 GLN 232 HE22 0.05 0.41 -0.03 -0.04 7.69 8.08 2ehzA1 PHE 233 H 0.28 0.53 -0.08 -0.55 8.34 8.52 2ehzA1 PHE 233 HA -0.01 -0.02 0.46 -0.75 4.62 4.29 2ehzA1 PHE 233 HB2 -0.13 0.12 0.18 -0.04 3.15 3.28 2ehzA1 PHE 233 HB3 -0.01 0.04 -0.04 -0.04 3.06 3.01 2ehzA1 PHE 233 HD2 0.16 0.22 -0.02 -0.04 7.28 7.59 2ehzA1 PHE 233 HE2 0.13 0.11 -0.11 -0.04 7.38 7.47 2ehzA1 PHE 233 HZ 0.17 -0.05 -0.10 -0.04 7.32 7.29 2ehzA1 VAL 234 H -0.15 0.49 -0.08 -0.55 8.24 7.95 2ehzA1 VAL 234 HA -0.08 0.02 0.40 -0.75 4.13 3.72 2ehzA1 VAL 234 HB -0.19 0.07 0.17 -0.04 2.12 2.13 2ehzA1 VAL 234 HG13 -0.10 -0.02 -0.07 -0.04 0.97 0.74 2ehzA1 VAL 234 HG23 -0.41 0.04 0.03 -0.04 0.95 0.57 2ehzA1 LYS 235 H -0.12 0.74 0.01 -0.55 8.42 8.50 2ehzA1 LYS 235 HA -0.07 -0.02 0.38 -0.75 4.32 3.85 2ehzA1 LYS 235 HB2 -0.12 0.11 0.18 -0.04 1.87 2.00 2ehzA1 LYS 235 HB3 -0.08 -0.06 -0.01 -0.04 1.79 1.60 2ehzA1 LYS 235 HG2 -0.08 -0.07 0.05 -0.04 1.46 1.32 2ehzA1 LYS 235 HG3 -0.12 0.08 0.09 -0.04 1.46 1.47 2ehzA1 LYS 235 HD2 -0.16 0.03 -0.07 -0.04 1.69 1.45 2ehzA1 LYS 235 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.52 2ehzA1 LYS 235 HE2 -0.10 -0.02 -0.01 -0.04 2.99 2.82 2ehzA1 LYS 235 HE3 -0.09 -0.02 -0.02 -0.04 2.99 2.82 2ehzA1 ASN 236 H -0.09 0.53 -0.25 -0.55 8.53 8.17 2ehzA1 ASN 236 HA -0.06 0.08 0.61 -0.75 4.76 4.63 2ehzA1 ASN 236 HB2 -0.14 0.19 0.10 -0.04 2.88 2.98 2ehzA1 ASN 236 HB3 -0.10 -0.09 0.12 -0.04 2.79 2.68 2ehzA1 ASN 236 HD21 -0.09 -0.08 -0.02 -0.04 7.03 6.80 2ehzA1 ASN 236 HD22 -0.13 0.44 0.12 -0.04 7.74 8.13 2ehzA1 GLU 237 H -0.05 0.38 -0.56 -0.55 8.60 7.82 2ehzA1 GLU 237 HA -0.02 0.07 0.28 -0.75 4.29 3.87 2ehzA1 GLU 237 HB2 -0.02 0.07 -0.16 -0.04 2.09 1.93 2ehzA1 GLU 237 HB3 -0.01 -0.10 0.18 -0.04 1.99 2.01 2ehzA1 GLU 237 HG2 -0.02 -0.03 0.03 -0.04 2.34 2.29 2ehzA1 GLU 237 HG3 -0.03 0.15 -0.09 -0.04 2.34 2.32 2ehzA1 ILE 238 H -0.03 0.46 -0.16 -0.55 8.25 7.97 2ehzA1 ILE 238 HA -0.00 0.05 0.69 -0.75 4.18 4.16 2ehzA1 ILE 238 HB -0.04 -0.04 0.08 -0.04 1.89 1.85 2ehzA1 ILE 238 HG12 -0.12 -0.01 -0.06 -0.04 1.49 1.26 2ehzA1 ILE 238 HG13 -0.15 0.05 -0.16 -0.04 1.21 0.91 2ehzA1 ILE 238 HG23 0.04 0.01 -0.05 -0.04 0.93 0.89 2ehzA1 ILE 238 HD13 -0.43 -0.01 -0.05 -0.04 0.88 0.35 2ehzA1 ASP 239 H 0.06 0.11 0.13 -0.55 8.40 8.16 2ehzA1 ASP 239 HA 0.07 0.03 0.30 -0.75 4.63 4.27 2ehzA1 ASP 239 HB2 -0.02 -0.05 0.13 -0.04 2.71 2.73 2ehzA1 ASP 239 HB3 -0.07 0.00 -0.12 -0.04 2.70 2.47 2ehzA1 ILE 240 H 0.07 0.16 0.17 -0.55 8.25 8.10 2ehzA1 ILE 240 HA 0.12 0.20 0.97 -0.75 4.18 4.72 2ehzA1 ILE 240 HB 0.07 -0.05 0.14 -0.04 1.89 2.01 2ehzA1 ILE 240 HG12 0.20 0.01 -0.05 -0.04 1.49 1.61 2ehzA1 ILE 240 HG13 0.15 0.21 -0.19 -0.04 1.21 1.33 2ehzA1 ILE 240 HG23 0.21 -0.02 -0.26 -0.04 0.93 0.82 2ehzA1 ILE 240 HD13 -0.18 -0.02 -0.04 -0.04 0.88 0.60 2ehzA1 ALA 241 H -0.00 0.41 0.15 -0.55 8.40 8.41 2ehzA1 ALA 241 HA 0.04 0.21 0.63 -0.75 4.34 4.46 2ehzA1 ALA 241 HB3 -0.06 0.01 -0.00 -0.04 1.41 1.33 2ehzA1 LEU 242 H 0.13 0.27 0.13 -0.55 8.37 8.35 2ehzA1 LEU 242 HA 0.08 0.36 0.72 -0.75 4.35 4.75 2ehzA1 LEU 242 HB2 -0.01 -0.11 0.02 -0.04 1.64 1.50 2ehzA1 LEU 242 HB3 0.06 0.02 -0.13 -0.04 1.64 1.55 2ehzA1 LEU 242 HG -0.23 -0.08 -0.36 -0.04 1.64 0.92 2ehzA1 LEU 242 HD13 -0.72 -0.02 -0.14 -0.04 0.93 0.01 2ehzA1 LEU 242 HD23 -0.04 0.11 -0.35 -0.04 0.89 0.57 2ehzA1 GLN 243 H 0.14 0.60 0.06 -0.55 8.47 8.73 2ehzA1 GLN 243 HA 0.20 0.09 0.45 -0.75 4.36 4.35 2ehzA1 GLN 243 HB2 0.10 0.03 0.06 -0.04 2.15 2.30 2ehzA1 GLN 243 HB3 0.08 -0.01 0.12 -0.04 2.02 2.16 2ehzA1 GLN 243 HG2 0.10 0.03 -0.10 -0.04 2.40 2.39 2ehzA1 GLN 243 HG3 0.07 0.03 -0.03 -0.04 2.39 2.42 2ehzA1 GLN 243 HE21 0.03 0.02 -0.00 -0.04 6.97 6.98 2ehzA1 GLN 243 HE22 0.05 0.03 -0.01 -0.04 7.69 7.71 2ehzA1 LEU 244 H 0.03 0.08 0.17 -0.55 8.37 8.11 2ehzA1 LEU 244 HA 0.08 0.31 0.45 -0.75 4.35 4.44 2ehzA1 LEU 244 HB2 -0.31 -0.01 0.15 -0.04 1.64 1.43 2ehzA1 LEU 244 HB3 -0.07 -0.05 0.08 -0.04 1.64 1.56 2ehzA1 LEU 244 HG -0.04 0.03 -0.08 -0.04 1.64 1.51 2ehzA1 LEU 244 HD13 -0.10 0.03 -0.16 -0.04 0.93 0.66 2ehzA1 LEU 244 HD23 -0.14 -0.01 -0.05 -0.04 0.89 0.65 2ehzA1 GLY 245 H -0.19 0.59 0.46 -0.55 8.43 8.74 2ehzA1 GLY 245 HA2 -0.22 0.04 0.43 -0.51 4.01 3.75 2ehzA1 GLY 245 HA3 -0.84 0.00 0.47 -0.51 4.01 3.13 2ehzA1 ILE 246 H -0.67 0.48 0.22 -0.55 8.25 7.73 2ehzA1 ILE 246 HA -0.26 0.48 1.09 -0.75 4.18 4.74 2ehzA1 ILE 246 HB -0.70 -0.10 0.03 -0.04 1.89 1.07 2ehzA1 ILE 246 HG12 -0.11 0.09 -0.21 -0.04 1.49 1.22 2ehzA1 ILE 246 HG13 -0.25 -0.13 -0.37 -0.04 1.21 0.41 2ehzA1 ILE 246 HG23 -0.16 0.04 -0.36 -0.04 0.93 0.41 2ehzA1 ILE 246 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 2ehzA1 HIS 247 H -0.04 0.45 0.11 -0.55 8.41 8.38 2ehzA1 HIS 247 HA 0.06 0.07 0.50 -0.75 4.63 4.51 2ehzA1 HIS 247 HB2 0.04 -0.11 0.08 -0.04 3.26 3.23 2ehzA1 HIS 247 HB3 0.02 -0.14 -0.03 -0.04 3.20 3.02 2ehzA1 HIS 247 HD2 0.15 -0.01 -0.11 -0.04 6.97 6.95 2ehzA1 HIS 247 HE1 -0.09 0.04 -0.17 -0.04 7.75 7.49 2ehzA1 ALA 248 H 0.05 0.16 0.19 -0.55 8.40 8.26 2ehzA1 ALA 248 HA -0.28 0.14 0.51 -0.75 4.34 3.95 2ehzA1 ALA 248 HB3 -0.78 0.03 0.09 -0.04 1.41 0.71 2ehzA1 ASN 249 H -0.15 -0.02 -0.14 -0.55 8.53 7.67 2ehzA1 ASN 249 HA -0.13 0.23 0.56 -0.75 4.76 4.67 2ehzA1 ASN 249 HB2 -0.05 0.10 -0.05 -0.04 2.88 2.84 2ehzA1 ASN 249 HB3 -0.01 0.05 0.00 -0.04 2.79 2.79 2ehzA1 ASN 249 HD21 -1.60 -0.02 -0.12 -0.04 7.03 5.25 2ehzA1 ASN 249 HD22 -0.94 0.08 -0.08 -0.04 7.74 6.75 2ehzA1 ASP 250 H 0.03 -0.04 -0.10 -0.55 8.40 7.74 2ehzA1 ASP 250 HA -0.00 0.37 0.68 -0.75 4.63 4.93 2ehzA1 ASP 250 HB2 0.01 0.01 0.15 -0.04 2.71 2.84 2ehzA1 ASP 250 HB3 0.12 0.02 -0.06 -0.04 2.70 2.74 2ehzA1 LYS 251 H -0.01 0.23 -0.35 -0.55 8.42 7.73 2ehzA1 LYS 251 HA -0.07 0.17 0.26 -0.75 4.32 3.92 2ehzA1 LYS 251 HB2 -0.08 0.14 0.10 -0.04 1.87 1.99 2ehzA1 LYS 251 HB3 -0.08 -0.06 0.13 -0.04 1.79 1.75 2ehzA1 LYS 251 HG2 -0.05 0.01 -0.52 -0.04 1.46 0.85 2ehzA1 LYS 251 HG3 -0.06 -0.04 -0.10 -0.04 1.46 1.22 2ehzA1 LYS 251 HD2 -0.07 -0.08 -0.02 -0.04 1.69 1.47 2ehzA1 LYS 251 HD3 -0.10 0.09 -0.10 -0.04 1.68 1.52 2ehzA1 LYS 251 HE2 -0.04 -0.09 -0.02 -0.04 2.99 2.79 2ehzA1 LYS 251 HE3 -0.07 -0.05 0.02 -0.04 2.99 2.85 2ehzA1 ALA 252 H 0.08 -0.17 -0.43 -0.55 8.40 7.33 2ehzA1 ALA 252 HA -0.07 0.35 0.38 -0.75 4.34 4.24 2ehzA1 ALA 252 HB3 0.10 -0.05 -0.18 -0.04 1.41 1.24 2ehzA1 LEU 253 H 0.05 0.59 0.33 -0.55 8.37 8.80 2ehzA1 LEU 253 HA -0.00 0.25 0.88 -0.75 4.35 4.73 2ehzA1 LEU 253 HB2 0.19 0.02 0.11 -0.04 1.64 1.93 2ehzA1 LEU 253 HB3 0.37 -0.05 0.24 -0.04 1.64 2.15 2ehzA1 LEU 253 HG 0.13 -0.00 -0.19 -0.04 1.64 1.54 2ehzA1 LEU 253 HD13 0.04 0.04 -0.04 -0.04 0.93 0.93 2ehzA1 LEU 253 HD23 0.20 -0.02 -0.03 -0.04 0.89 0.99 2ehzA1 THR 254 H 0.03 0.63 0.38 -0.55 8.28 8.77 2ehzA1 THR 254 HA 0.11 0.27 1.04 -0.75 4.39 5.05 2ehzA1 THR 254 HB -0.12 0.20 -0.07 -0.04 4.32 4.29 2ehzA1 THR 254 HG23 0.11 -0.02 -0.46 -0.04 1.22 0.81 2ehzA1 PHE 255 H -0.15 0.52 0.27 -0.55 8.34 8.42 2ehzA1 PHE 255 HA 0.20 0.19 0.25 -0.75 4.62 4.51 2ehzA1 PHE 255 HB2 0.10 0.09 0.13 -0.04 3.15 3.42 2ehzA1 PHE 255 HB3 -0.02 -0.10 -0.05 -0.04 3.06 2.85 2ehzA1 PHE 255 HD2 -0.04 -0.00 -0.17 -0.04 7.28 7.02 2ehzA1 PHE 255 HE2 -0.48 0.02 -0.09 -0.04 7.38 6.79 2ehzA1 PHE 255 HZ -0.51 0.08 -0.20 -0.04 7.32 6.65 2ehzA1 TYR 256 H 0.39 0.64 0.24 -0.55 8.29 9.01 2ehzA1 TYR 256 HA -0.27 0.39 1.14 -0.75 4.56 5.07 2ehzA1 TYR 256 HB2 -0.04 -0.21 0.18 -0.04 3.06 2.94 2ehzA1 TYR 256 HB3 -0.08 0.01 -0.06 -0.04 2.98 2.81 2ehzA1 TYR 256 HD2 -0.17 0.02 -0.23 -0.04 7.15 6.73 2ehzA1 TYR 256 HE2 -1.07 -0.02 -0.23 -0.04 6.85 5.48 2ehzA1 GLY 257 H -0.20 0.73 0.37 -0.55 8.43 8.77 2ehzA1 GLY 257 HA2 0.07 0.13 1.11 -0.51 4.01 4.81 2ehzA1 GLY 257 HA3 -0.11 0.07 0.32 -0.51 4.01 3.78 2ehzA1 ALA 258 H 0.05 0.65 0.22 -0.55 8.40 8.78 2ehzA1 ALA 258 HA -0.12 0.05 0.45 -0.75 4.34 3.97 2ehzA1 ALA 258 HB3 -0.15 0.00 0.07 -0.04 1.41 1.29 2ehzA1 THR 259 H -0.26 0.45 0.23 -0.55 8.28 8.15 2ehzA1 THR 259 HA -1.27 0.25 0.82 -0.75 4.39 3.43 2ehzA1 THR 259 HB -1.35 -0.02 0.09 -0.04 4.32 2.99 2ehzA1 THR 259 HG23 -0.39 0.03 -0.13 -0.04 1.22 0.69 2ehzA1 PRO 260 HA -0.38 0.16 0.46 -0.51 4.44 4.18 2ehzA1 PRO 260 HB2 -0.65 -0.05 -0.06 -0.04 2.28 1.48 2ehzA1 PRO 260 HB3 -0.38 0.03 0.05 -0.04 2.02 1.68 2ehzA1 PRO 260 HG2 -1.27 0.02 -0.15 -0.04 2.03 0.59 2ehzA1 PRO 260 HG3 -0.84 0.12 -0.02 -0.04 2.03 1.25 2ehzA1 PRO 260 HD2 -2.72 0.05 0.12 -0.04 3.68 1.09 2ehzA1 PRO 260 HD3 -2.90 0.22 0.14 -0.04 3.65 1.07 2ehzA1 SER 261 H -0.33 0.05 -0.43 -0.55 8.46 7.21 2ehzA1 SER 261 HA 0.08 0.14 0.75 -0.75 4.49 4.70 2ehzA1 SER 261 HB2 -0.38 -0.01 -0.05 -0.04 3.95 3.48 2ehzA1 SER 261 HB3 0.20 0.18 0.09 -0.04 3.93 4.35 2ehzA1 GLY 262 H -0.22 0.41 -0.24 -0.55 8.43 7.82 2ehzA1 GLY 262 HA2 0.11 0.03 0.34 -0.51 4.01 3.98 2ehzA1 GLY 262 HA3 0.08 0.15 0.53 -0.51 4.01 4.26 2ehzA1 TRP 263 H -0.08 0.09 -0.45 -0.55 7.97 6.99 2ehzA1 TRP 263 HA 0.18 0.13 0.79 -0.75 4.62 4.96 2ehzA1 TRP 263 HB2 0.14 0.06 -0.07 -0.04 3.23 3.32 2ehzA1 TRP 263 HB3 0.12 0.10 0.11 -0.04 3.23 3.52 2ehzA1 TRP 263 HD1 0.10 0.33 -0.02 -0.04 7.22 7.59 2ehzA1 TRP 263 HE1 0.07 -0.04 -0.33 -0.04 10.20 9.86 2ehzA1 TRP 263 HE3 0.18 0.28 -0.44 -0.04 7.59 7.56 2ehzA1 TRP 263 HZ2 -0.08 -0.03 -0.19 -0.04 7.44 7.11 2ehzA1 TRP 263 HZ3 0.21 0.03 -0.17 -0.04 7.13 7.16 2ehzA1 TRP 263 HH2 0.25 0.01 -0.16 -0.04 7.19 7.25 2ehzA1 LEU 264 H 0.56 0.52 0.23 -0.55 8.37 9.14 2ehzA1 LEU 264 HA 0.15 0.21 0.61 -0.75 4.35 4.56 2ehzA1 LEU 264 HB2 0.38 0.01 0.07 -0.04 1.64 2.06 2ehzA1 LEU 264 HB3 0.23 0.06 -0.11 -0.04 1.64 1.78 2ehzA1 LEU 264 HG 0.24 -0.04 -0.03 -0.04 1.64 1.77 2ehzA1 LEU 264 HD13 0.13 -0.02 -0.10 -0.04 0.93 0.89 2ehzA1 LEU 264 HD23 -0.13 0.00 -0.36 -0.04 0.89 0.35 2ehzA1 ILE 265 H 0.14 0.66 0.30 -0.55 8.25 8.80 2ehzA1 ILE 265 HA 0.31 0.18 0.96 -0.75 4.18 4.88 2ehzA1 ILE 265 HB 0.31 -0.06 0.00 -0.04 1.89 2.10 2ehzA1 ILE 265 HG12 0.17 -0.00 -0.08 -0.04 1.49 1.54 2ehzA1 ILE 265 HG13 0.05 0.00 -0.10 -0.04 1.21 1.12 2ehzA1 ILE 265 HG23 0.22 0.04 -0.06 -0.04 0.93 1.09 2ehzA1 ILE 265 HD13 0.30 0.01 -0.05 -0.04 0.88 1.10 2ehzA1 GLU 266 H 0.01 0.73 0.28 -0.55 8.60 9.06 2ehzA1 GLU 266 HA -0.55 0.44 1.11 -0.75 4.29 4.54 2ehzA1 GLU 266 HB2 -0.62 -0.07 -0.17 -0.04 2.09 1.19 2ehzA1 GLU 266 HB3 -0.16 -0.11 0.04 -0.04 1.99 1.72 2ehzA1 GLU 266 HG2 -0.38 0.03 -0.22 -0.04 2.34 1.73 2ehzA1 GLU 266 HG3 -1.27 0.10 -0.19 -0.04 2.34 0.94 2ehzA1 PRO 267 HA -0.08 0.19 0.80 -0.51 4.44 4.84 2ehzA1 PRO 267 HB2 0.04 -0.03 0.05 -0.04 2.28 2.29 2ehzA1 PRO 267 HB3 0.23 0.06 0.13 -0.04 2.02 2.39 2ehzA1 PRO 267 HG2 -0.54 0.05 -0.01 -0.04 2.03 1.49 2ehzA1 PRO 267 HG3 -0.14 0.01 -0.03 -0.04 2.03 1.84 2ehzA1 PRO 267 HD2 -1.47 0.11 0.17 -0.04 3.68 2.45 2ehzA1 PRO 267 HD3 -0.61 0.18 -0.28 -0.04 3.65 2.89 2ehzA1 GLY 268 H 0.06 0.41 0.50 -0.55 8.43 8.85 2ehzA1 GLY 268 HA2 0.17 0.30 0.97 -0.51 4.01 4.93 2ehzA1 GLY 268 HA3 0.08 -0.03 0.25 -0.51 4.01 3.79 2ehzA1 TRP 269 H 0.22 0.51 0.29 -0.55 7.97 8.44 2ehzA1 TRP 269 HA 0.09 0.17 0.76 -0.75 4.62 4.88 2ehzA1 TRP 269 HB2 0.14 0.02 -0.19 -0.04 3.23 3.16 2ehzA1 TRP 269 HB3 0.07 0.02 0.01 -0.04 3.23 3.29 2ehzA1 TRP 269 HD1 0.09 0.26 -0.42 -0.04 7.22 7.10 2ehzA1 TRP 269 HE1 -0.03 0.32 0.03 -0.04 10.20 10.48 2ehzA1 TRP 269 HE3 0.02 0.01 -0.04 -0.04 7.59 7.53 2ehzA1 TRP 269 HZ2 -0.04 0.03 0.05 -0.04 7.44 7.43 2ehzA1 TRP 269 HZ3 -0.00 0.03 -0.01 -0.04 7.13 7.11 2ehzA1 TRP 269 HH2 -0.02 0.03 0.01 -0.04 7.19 7.17 2ehzA1 ARG 270 H -0.64 0.22 0.16 -0.55 8.46 7.65 2ehzA1 ARG 270 HA -0.75 0.07 0.32 -0.75 4.34 3.22 2ehzA1 ARG 270 HB2 -2.77 -0.11 -0.22 -0.04 1.90 -1.24 2ehzA1 ARG 270 HB3 -0.69 0.13 0.22 -0.04 1.80 1.42 2ehzA1 ARG 270 HG2 -0.49 0.07 0.02 -0.04 1.67 1.22 2ehzA1 ARG 270 HG3 -0.93 -0.04 0.03 -0.04 1.67 0.69 2ehzA1 ARG 270 HD2 -0.28 -0.02 0.02 -0.04 3.22 2.90 2ehzA1 ARG 270 HD3 -0.55 -0.07 0.02 -0.04 3.22 2.59 2ehzA1 GLY 271 H -0.17 -0.01 -0.04 -0.55 8.43 7.66 2ehzA1 GLY 271 HA2 -0.07 0.12 0.49 -0.51 4.01 4.04 2ehzA1 GLY 271 HA3 -0.06 -0.05 0.25 -0.51 4.01 3.64 2ehzA1 ALA 272 H -0.06 0.64 0.32 -0.55 8.40 8.76 2ehzA1 ALA 272 HA -0.08 0.05 0.60 -0.75 4.34 4.15 2ehzA1 ALA 272 HB3 -0.06 -0.00 0.04 -0.04 1.41 1.35 2ehzA1 THR 273 H -0.05 0.05 0.14 -0.55 8.28 7.87 2ehzA1 THR 273 HA -0.05 0.21 0.54 -0.75 4.39 4.35 2ehzA1 THR 273 HB -0.04 -0.02 0.11 -0.04 4.32 4.32 2ehzA1 THR 273 HG23 -0.04 0.05 0.02 -0.04 1.22 1.20 2ehzA1 ALA 274 H -0.08 0.54 0.13 -0.55 8.40 8.45 2ehzA1 ALA 274 HA -0.14 -0.01 0.39 -0.75 4.34 3.82 2ehzA1 ALA 274 HB3 -0.40 0.03 -0.16 -0.04 1.41 0.84 2ehzA1 ILE 275 H -0.19 0.21 0.16 -0.55 8.25 7.89 2ehzA1 ILE 275 HA -0.09 0.16 0.86 -0.75 4.18 4.36 2ehzA1 ILE 275 HB -0.02 -0.16 0.08 -0.04 1.89 1.75 2ehzA1 ILE 275 HG12 -0.02 0.02 0.06 -0.04 1.49 1.51 2ehzA1 ILE 275 HG13 -0.00 0.04 -0.03 -0.04 1.21 1.17 2ehzA1 ILE 275 HG23 -0.04 0.05 -0.11 -0.04 0.93 0.79 2ehzA1 ILE 275 HD13 0.00 -0.01 0.01 -0.04 0.88 0.84 2ehzA1 ASP 276 H 0.00 0.13 0.08 -0.55 8.40 8.07 2ehzA1 ASP 276 HA 0.22 0.16 0.51 -0.75 4.63 4.77 2ehzA1 ASP 276 HB2 0.05 -0.03 0.07 -0.04 2.71 2.75 2ehzA1 ASP 276 HB3 0.08 0.00 0.04 -0.04 2.70 2.77 2ehzA1 GLU 277 H 0.02 0.02 -0.19 -0.55 8.60 7.91 2ehzA1 GLU 277 HA 0.03 0.06 0.53 -0.75 4.29 4.15 2ehzA1 GLU 277 HB2 0.00 -0.00 0.08 -0.04 2.09 2.12 2ehzA1 GLU 277 HB3 0.00 0.07 -0.03 -0.04 1.99 2.00 2ehzA1 GLU 277 HG2 0.00 0.02 -0.00 -0.04 2.34 2.32 2ehzA1 GLU 277 HG3 0.01 0.03 -0.05 -0.04 2.34 2.29 2ehzA1 ALA 278 H 0.03 0.11 0.18 -0.55 8.40 8.17 2ehzA1 ALA 278 HA 0.03 0.07 0.39 -0.75 4.34 4.08 2ehzA1 ALA 278 HB3 0.02 0.00 0.06 -0.04 1.41 1.46 2ehzA1 GLU 279 H -0.05 0.24 0.27 -0.55 8.60 8.51 2ehzA1 GLU 279 HA -0.08 0.10 0.54 -0.75 4.29 4.10 2ehzA1 GLU 279 HB2 -0.26 -0.02 0.17 -0.04 2.09 1.94 2ehzA1 GLU 279 HB3 -0.10 0.05 -0.03 -0.04 1.99 1.87 2ehzA1 GLU 279 HG2 -0.08 0.01 0.04 -0.04 2.34 2.28 2ehzA1 GLU 279 HG3 -0.41 -0.01 -0.14 -0.04 2.34 1.74 2ehzA1 TYR 280 H -0.36 0.18 0.19 -0.55 8.29 7.75 2ehzA1 TYR 280 HA -0.72 0.29 0.78 -0.75 4.56 4.16 2ehzA1 TYR 280 HB2 -0.19 -0.06 -0.20 -0.04 3.06 2.56 2ehzA1 TYR 280 HB3 -0.18 0.09 -0.19 -0.04 2.98 2.65 2ehzA1 TYR 280 HD2 -0.11 0.03 -0.17 -0.04 7.15 6.86 2ehzA1 TYR 280 HE2 -0.04 0.00 -0.10 -0.04 6.85 6.66 2ehzA1 TYR 281 H -0.25 0.60 0.34 -0.55 8.29 8.43 2ehzA1 TYR 281 HA -0.27 0.15 0.90 -0.75 4.56 4.58 2ehzA1 TYR 281 HB2 -0.52 -0.05 0.03 -0.04 3.06 2.48 2ehzA1 TYR 281 HB3 -0.19 0.07 0.18 -0.04 2.98 3.00 2ehzA1 TYR 281 HD2 -0.74 0.06 -0.03 -0.04 7.15 6.40 2ehzA1 TYR 281 HE2 -0.24 -0.01 -0.10 -0.04 6.85 6.47 2ehzA1 VAL 282 H 0.06 0.18 0.20 -0.55 8.24 8.13 2ehzA1 VAL 282 HA 0.18 0.29 1.01 -0.75 4.13 4.86 2ehzA1 VAL 282 HB 0.11 0.06 0.27 -0.04 2.12 2.52 2ehzA1 VAL 282 HG13 0.12 -0.00 -0.04 -0.04 0.97 1.01 2ehzA1 VAL 282 HG23 0.05 -0.01 0.01 -0.04 0.95 0.96 2ehzA1 GLY 283 H 0.17 0.15 0.06 -0.55 8.43 8.27 2ehzA1 GLY 283 HA2 0.24 0.19 0.39 -0.51 4.01 4.32 2ehzA1 GLY 283 HA3 0.14 0.03 0.45 -0.51 4.01 4.11 2ehzA1 ASP 284 H 0.15 0.58 0.22 -0.55 8.40 8.80 2ehzA1 ASP 284 HA 0.10 -0.13 0.64 -0.75 4.63 4.49 2ehzA1 ASP 284 HB2 0.14 0.06 -0.21 -0.04 2.71 2.66 2ehzA1 ASP 284 HB3 0.00 0.17 0.03 -0.04 2.70 2.87 2ehzA1 ILE 285 H -0.16 0.37 0.17 -0.55 8.25 8.07 2ehzA1 ILE 285 HA -0.06 0.07 0.41 -0.75 4.18 3.85 2ehzA1 ILE 285 HB -0.58 -0.00 0.05 -0.04 1.89 1.32 2ehzA1 ILE 285 HG12 -0.14 0.00 -0.03 -0.04 1.49 1.28 2ehzA1 ILE 285 HG13 -0.19 -0.05 -0.33 -0.04 1.21 0.60 2ehzA1 ILE 285 HG23 -0.00 -0.01 -0.05 -0.04 0.93 0.83 2ehzA1 ILE 285 HD13 -0.13 0.01 -0.07 -0.04 0.88 0.65 2ehzA1 PHE 286 H -0.46 0.30 0.06 -0.55 8.34 7.68 2ehzA1 PHE 286 HA -0.00 0.07 0.13 -0.75 4.62 4.07 2ehzA1 PHE 286 HB2 -0.02 -0.11 0.14 -0.04 3.15 3.11 2ehzA1 PHE 286 HB3 -0.01 0.25 0.31 -0.04 3.06 3.57 2ehzA1 PHE 286 HD2 -0.04 0.12 -0.38 -0.04 7.28 6.93 2ehzA1 PHE 286 HE2 -0.04 0.01 -0.13 -0.04 7.38 7.18 2ehzA1 PHE 286 HZ -0.02 0.02 -0.10 -0.04 7.32 7.17 2ehzA1 GLY 287 H 0.22 0.12 0.10 -0.55 8.43 8.33 2ehzA1 GLY 287 HA2 0.10 0.01 0.35 -0.51 4.01 3.96 2ehzA1 GLY 287 HA3 0.03 0.22 0.74 -0.51 4.01 4.50 2ehzA1 HIS 288 H -0.03 0.53 -0.27 -0.55 8.41 8.10 2ehzA1 HIS 288 HA 0.07 0.33 0.17 -0.75 4.63 4.45 2ehzA1 HIS 288 HB2 0.01 0.07 -0.19 -0.04 3.26 3.11 2ehzA1 HIS 288 HB3 0.01 -0.06 0.11 -0.04 3.20 3.22 2ehzA1 HIS 288 HD2 0.15 0.35 -0.12 -0.04 6.97 7.30 2ehzA1 HIS 288 HE1 -1.20 -0.09 -0.34 -0.04 7.75 6.07 2ehzA1 GLY 289 H 0.10 0.03 -0.29 -0.55 8.43 7.72 2ehzA1 GLY 289 HA2 0.07 0.07 0.62 -0.51 4.01 4.26 2ehzA1 GLY 289 HA3 0.07 0.06 0.21 -0.51 4.01 3.84 2ehzA1 VAL 290 H 0.05 0.07 0.11 -0.55 8.24 7.92 2ehzA1 VAL 290 HA 0.05 0.31 0.48 -0.75 4.13 4.21 2ehzA1 VAL 290 HB 0.04 -0.07 0.07 -0.04 2.12 2.13 2ehzA1 VAL 290 HG13 0.05 0.07 -0.22 -0.04 0.97 0.83 2ehzA1 VAL 290 HG23 0.03 0.03 -0.27 -0.04 0.95 0.71 2ehzA1 GLU 291 H 0.07 0.56 0.12 -0.55 8.60 8.80 2ehzA1 GLU 291 HA 0.05 0.12 0.81 -0.75 4.29 4.52 2ehzA1 GLU 291 HB2 0.07 -0.09 -0.07 -0.04 2.09 1.95 2ehzA1 GLU 291 HB3 0.07 0.28 0.20 -0.04 1.99 2.50 2ehzA1 GLU 291 HG2 0.05 -0.01 -0.05 -0.04 2.34 2.29 2ehzA1 GLU 291 HG3 0.04 -0.02 0.02 -0.04 2.34 2.34 2ehzA1 ALA 292 H 0.08 0.67 0.32 -0.55 8.40 8.91 2ehzA1 ALA 292 HA 0.10 0.02 0.61 -0.75 4.34 4.32 2ehzA1 ALA 292 HB3 0.14 -0.02 -0.05 -0.04 1.41 1.44 2ehzA1 THR 293 H 0.10 0.10 0.20 -0.55 8.28 8.13 2ehzA1 THR 293 HA 0.11 0.15 0.68 -0.75 4.39 4.58 2ehzA1 THR 293 HB 0.04 -0.06 0.13 -0.04 4.32 4.39 2ehzA1 THR 293 HG23 0.05 0.05 0.01 -0.04 1.22 1.28 2ehzA1 GLY 294 H 0.05 0.13 0.14 -0.55 8.43 8.21 2ehzA1 GLY 294 HA2 -0.05 0.01 0.28 -0.51 4.01 3.74 2ehzA1 GLY 294 HA3 -0.13 0.11 0.42 -0.51 4.01 3.91 2ehzA1 TYR 295 H 0.16 0.08 -0.15 -0.55 8.29 7.83 2ehzA1 TYR 295 HA 0.06 0.28 0.84 -0.75 4.56 4.98 2ehzA1 TYR 295 HB2 0.05 0.09 -0.07 -0.04 3.06 3.09 2ehzA1 TYR 295 HB3 0.08 -0.12 0.09 -0.04 2.98 2.98 2ehzA1 TYR 295 HD2 0.06 0.13 -0.22 -0.04 7.15 7.08 2ehzA1 TYR 295 HE2 0.03 -0.01 -0.06 -0.04 6.85 6.77 2ehzA1 GLY 296 H 0.28 0.22 0.12 -0.55 8.43 8.51 2ehzA1 GLY 296 HA2 0.11 0.05 0.36 -0.51 4.01 4.02 2ehzA1 GLY 296 HA3 0.16 0.04 0.34 -0.51 4.01 4.04 2ehzA1 LEU 297 H 0.12 0.06 -0.51 -0.55 8.37 7.50 2ehzA1 LEU 297 HA 0.01 0.14 0.88 -0.75 4.35 4.63 2ehzA1 LEU 297 HB2 -0.13 -0.03 -0.02 -0.04 1.64 1.42 2ehzA1 LEU 297 HB3 -0.14 0.09 -0.08 -0.04 1.64 1.47 2ehzA1 LEU 297 HG 0.02 -0.10 -0.42 -0.04 1.64 1.10 2ehzA1 LEU 297 HD13 -0.44 -0.00 -0.18 -0.04 0.93 0.27 2ehzA1 LEU 297 HD23 -0.02 0.04 -0.13 -0.04 0.89 0.74 2ehzA1 ASP 298 H 0.03 0.18 0.05 -0.55 8.40 8.10 2ehzA1 ASP 298 HA 0.05 0.18 0.76 -0.75 4.63 4.88 2ehzA1 ASP 298 HB2 0.03 0.01 0.01 -0.04 2.71 2.72 2ehzA1 ASP 298 HB3 0.04 -0.03 0.14 -0.04 2.70 2.80 2ehzA1 VAL 299 H 0.00 0.09 -0.06 -0.55 8.24 7.72 2ehzA1 VAL 299 HA 0.02 0.15 0.90 -0.75 4.13 4.45 2ehzA1 VAL 299 HB 0.01 -0.03 0.03 -0.04 2.12 2.10 2ehzA1 VAL 299 HG13 0.03 0.08 -0.01 -0.04 0.97 1.02 2ehzA1 VAL 299 HG23 0.02 -0.03 -0.10 -0.04 0.95 0.81 2ehzA1 LYS 300 H 0.03 0.10 0.15 -0.55 8.42 8.15 2ehzA1 LYS 300 HA 0.03 0.16 0.44 -0.75 4.32 4.20 2ehzA1 LYS 300 HB2 0.06 0.03 0.12 -0.04 1.87 2.03 2ehzA1 LYS 300 HB3 0.04 -0.09 0.18 -0.04 1.79 1.89 2ehzA1 LYS 300 HG2 0.04 -0.05 0.10 -0.04 1.46 1.51 2ehzA1 LYS 300 HG3 0.05 0.03 -0.18 -0.04 1.46 1.32 2ehzA1 LYS 300 HD2 0.05 0.16 -0.00 -0.04 1.69 1.85 2ehzA1 LYS 300 HD3 0.04 -0.06 0.05 -0.04 1.68 1.67 2ehzA1 LYS 300 HE2 0.04 -0.02 -0.00 -0.04 2.99 2.97 2ehzA1 LYS 300 HE3 0.05 0.01 -0.04 -0.04 2.99 2.97 2ehzA1 LEU 301 H 0.07 0.46 0.20 -0.55 8.37 8.55 2ehzA1 LEU 301 HA 0.05 0.21 0.74 -0.75 4.35 4.60 2ehzA1 LEU 301 HB2 0.12 0.06 0.02 -0.04 1.64 1.81 2ehzA1 LEU 301 HB3 0.06 -0.13 0.05 -0.04 1.64 1.58 2ehzA1 LEU 301 HG -0.09 0.12 -0.06 -0.04 1.64 1.56 2ehzA1 LEU 301 HD13 -0.14 -0.03 -0.11 -0.04 0.93 0.60 2ehzA1 LEU 301 HD23 -0.07 0.01 -0.18 -0.04 0.89 0.62 2ehzA1 SER 302 H 0.09 0.23 -0.18 -0.55 8.46 8.04 2ehzA1 SER 302 HA 0.10 0.18 0.50 -0.75 4.49 4.51 2ehzA1 SER 302 HB2 0.08 0.22 -0.14 -0.04 3.95 4.08 2ehzA1 SER 302 HB3 0.09 -0.10 -0.38 -0.04 3.93 3.50