============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 19 1.040 16.971 52.385 20.174 -99.200 -91.000 TRP6 19 1.020 17.187 50.885 18.354 -99.200 -91.000 TYR 31 0.840 17.006 39.621 28.025 -99.200 -91.000 HIS 33 0.900 10.756 32.377 23.096 -99.200 -91.000 PHE 42 1.000 14.989 27.127 42.908 -99.200 -91.000 HIS 72 0.900 21.589 32.026 33.809 -99.200 -91.000 HIS 95 0.900 18.870 28.572 18.262 -99.200 -91.000 PHE 98 1.000 11.696 35.953 18.783 -99.200 -91.000 TYR 109 0.840 20.518 46.606 23.130 -99.200 -91.000 TYR 111 0.840 27.302 38.609 26.538 -99.200 -91.000 PHE 112 1.000 28.987 45.513 24.230 -99.200 -91.000 TYR 128 0.840 32.685 52.868 36.349 -99.200 -91.000 HIS 129 0.900 39.732 51.235 36.282 -99.200 -91.000 PHE 135 1.000 30.270 43.613 32.388 -99.200 -91.000 HIS 143 0.900 32.568 35.821 26.053 -99.200 -91.000 TYR 151 0.840 40.582 23.719 19.244 -99.200 -91.000 TRP 152 1.040 39.198 20.738 24.842 -99.200 -91.000 TRP6 152 1.020 38.666 20.889 27.136 -99.200 -91.000 PHE 155 1.000 39.613 22.601 15.596 -99.200 -91.000 TYR 166 0.840 34.570 18.827 32.924 -99.200 -91.000 PHE 178 1.000 27.624 29.535 39.818 -99.200 -91.000 HIS 193 0.900 37.270 44.696 58.992 -99.200 -91.000 HIS 194 0.900 32.888 41.275 53.273 -99.200 -91.000 HIS 196 0.900 36.319 32.385 54.512 -99.200 -91.000 PHE 201 1.000 29.721 28.327 49.144 -99.200 -91.000 TYR 209 0.840 24.982 25.071 36.922 -99.200 -91.000 TYR 215 0.840 24.782 11.771 37.819 -99.200 -91.000 PHE 221 1.000 18.283 8.981 26.216 -99.200 -91.000 PHE 229 1.000 13.695 15.535 24.641 -99.200 -91.000 PHE 240 1.000 33.848 14.587 36.264 -99.200 -91.000 HIS 244 0.900 35.503 7.540 34.652 -99.200 -91.000 PHE 248 1.000 37.628 2.283 33.114 -99.200 -91.000 HIS 258 0.900 39.816 6.376 23.307 -99.200 -91.000 PHE 284 1.000 25.059 -2.524 32.062 -99.200 -91.000 TYR 291 0.840 35.466 9.113 38.388 -99.200 -91.000 PHE 295 1.000 35.458 14.842 40.768 -99.200 -91.000 TYR 311 0.840 36.892 24.754 51.322 -99.200 -91.000 TYR 318 0.840 15.653 25.389 48.910 -99.200 -91.000 HIS 322 0.900 15.672 22.375 45.587 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh4B1 THR 2 HA 0.00 0.02 0.22 -0.75 4.39 3.88 2dh4B1 THR 2 HB 0.00 -0.04 0.11 -0.04 4.32 4.35 2dh4B1 THR 2 HG23 0.00 0.05 0.06 -0.04 1.22 1.29 2dh4B1 LYS 3 H 0.00 0.15 0.14 -0.55 8.42 8.16 2dh4B1 LYS 3 HA 0.00 0.16 0.52 -0.75 4.32 4.25 2dh4B1 LYS 3 HB2 0.00 -0.02 0.08 -0.04 1.87 1.89 2dh4B1 LYS 3 HB3 0.00 0.05 0.07 -0.04 1.79 1.87 2dh4B1 LYS 3 HG2 0.00 -0.04 0.07 -0.04 1.46 1.45 2dh4B1 LYS 3 HG3 0.00 0.03 0.05 -0.04 1.46 1.50 2dh4B1 LYS 3 HD2 0.00 0.02 0.02 -0.04 1.69 1.69 2dh4B1 LYS 3 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 2dh4B1 LYS 3 HE2 0.00 0.00 -0.01 -0.04 2.99 2.94 2dh4B1 LYS 3 HE3 0.00 0.01 0.01 -0.04 2.99 2.96 2dh4B1 ASN 4 H 0.00 0.04 -0.02 -0.55 8.53 8.00 2dh4B1 ASN 4 HA 0.00 0.16 0.49 -0.75 4.76 4.65 2dh4B1 ASN 4 HB2 0.00 -0.06 0.12 -0.04 2.88 2.90 2dh4B1 ASN 4 HB3 0.00 0.07 -0.05 -0.04 2.79 2.78 2dh4B1 ASN 4 HD21 0.00 0.04 0.01 -0.04 7.03 7.03 2dh4B1 ASN 4 HD22 0.00 0.02 0.01 -0.04 7.74 7.73 2dh4B1 LYS 5 H 0.00 0.09 -0.11 -0.55 8.42 7.84 2dh4B1 LYS 5 HA 0.00 0.08 0.39 -0.75 4.32 4.04 2dh4B1 LYS 5 HB2 0.00 -0.03 0.09 -0.04 1.87 1.89 2dh4B1 LYS 5 HB3 0.00 0.14 -0.00 -0.04 1.79 1.88 2dh4B1 LYS 5 HG2 0.00 0.04 -0.00 -0.04 1.46 1.46 2dh4B1 LYS 5 HG3 0.00 0.01 -0.05 -0.04 1.46 1.38 2dh4B1 LYS 5 HD2 0.00 -0.05 0.08 -0.04 1.69 1.68 2dh4B1 LYS 5 HD3 0.00 -0.01 0.00 -0.04 1.68 1.63 2dh4B1 LYS 5 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 2dh4B1 LYS 5 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 2dh4B1 MET 6 H 0.00 0.37 -0.34 -0.55 8.47 7.96 2dh4B1 MET 6 HA 0.00 0.04 0.38 -0.75 4.52 4.19 2dh4B1 MET 6 HB2 0.00 0.21 0.17 -0.04 2.15 2.49 2dh4B1 MET 6 HB3 0.00 -0.01 0.15 -0.04 2.03 2.13 2dh4B1 MET 6 HG2 0.00 -0.05 -0.01 -0.04 2.63 2.53 2dh4B1 MET 6 HG3 0.00 0.01 0.00 -0.04 2.56 2.53 2dh4B1 MET 6 HE3 0.00 -0.00 -0.04 -0.04 2.10 2.02 2dh4B1 GLU 7 H 0.00 0.37 -0.24 -0.55 8.60 8.19 2dh4B1 GLU 7 HA 0.00 0.02 0.37 -0.75 4.29 3.93 2dh4B1 GLU 7 HB2 0.00 0.18 0.18 -0.04 2.09 2.40 2dh4B1 GLU 7 HB3 0.00 -0.04 -0.03 -0.04 1.99 1.88 2dh4B1 GLU 7 HG2 0.00 -0.05 0.07 -0.04 2.34 2.32 2dh4B1 GLU 7 HG3 0.00 0.12 0.15 -0.04 2.34 2.58 2dh4B1 ALA 8 H 0.00 0.36 -0.32 -0.55 8.40 7.90 2dh4B1 ALA 8 HA 0.00 0.02 0.46 -0.75 4.34 4.07 2dh4B1 ALA 8 HB3 0.00 0.02 0.10 -0.04 1.41 1.50 2dh4B1 LYS 9 H 0.00 0.65 -0.05 -0.55 8.42 8.47 2dh4B1 LYS 9 HA 0.00 0.01 0.45 -0.75 4.32 4.03 2dh4B1 LYS 9 HB2 0.00 0.13 0.15 -0.04 1.87 2.11 2dh4B1 LYS 9 HB3 0.00 -0.05 0.05 -0.04 1.79 1.76 2dh4B1 LYS 9 HG2 0.00 -0.04 0.02 -0.04 1.46 1.40 2dh4B1 LYS 9 HG3 0.00 0.10 0.06 -0.04 1.46 1.58 2dh4B1 LYS 9 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.60 2dh4B1 LYS 9 HD3 0.00 -0.00 0.00 -0.04 1.68 1.64 2dh4B1 LYS 9 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2dh4B1 LYS 9 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 2dh4B1 ILE 10 H 0.00 0.44 -0.21 -0.55 8.25 7.93 2dh4B1 ILE 10 HA 0.00 0.04 0.51 -0.75 4.18 3.98 2dh4B1 ILE 10 HB 0.00 0.06 0.16 -0.04 1.89 2.07 2dh4B1 ILE 10 HG12 0.00 0.23 0.02 -0.04 1.49 1.70 2dh4B1 ILE 10 HG13 0.00 -0.05 -0.03 -0.04 1.21 1.10 2dh4B1 ILE 10 HG23 0.00 -0.01 -0.07 -0.04 0.93 0.81 2dh4B1 ILE 10 HD13 0.00 -0.01 -0.03 -0.04 0.88 0.80 2dh4B1 ASP 11 H 0.00 0.62 -0.06 -0.55 8.40 8.41 2dh4B1 ASP 11 HA 0.00 -0.00 0.34 -0.75 4.63 4.22 2dh4B1 ASP 11 HB2 0.00 0.01 0.14 -0.04 2.71 2.81 2dh4B1 ASP 11 HB3 0.00 0.09 0.20 -0.04 2.70 2.95 2dh4B1 GLU 12 H 0.00 0.49 -0.17 -0.55 8.60 8.37 2dh4B1 GLU 12 HA 0.00 0.02 0.37 -0.75 4.29 3.93 2dh4B1 GLU 12 HB2 0.00 -0.02 0.09 -0.04 2.09 2.13 2dh4B1 GLU 12 HB3 0.00 0.11 0.13 -0.04 1.99 2.19 2dh4B1 GLU 12 HG2 0.01 0.03 -0.27 -0.04 2.34 2.06 2dh4B1 GLU 12 HG3 0.00 -0.03 -0.01 -0.04 2.34 2.26 2dh4B1 LEU 13 H 0.01 0.42 -0.23 -0.55 8.37 8.02 2dh4B1 LEU 13 HA 0.01 -0.00 0.46 -0.75 4.35 4.06 2dh4B1 LEU 13 HB2 0.01 0.03 0.18 -0.04 1.64 1.81 2dh4B1 LEU 13 HB3 0.01 0.14 0.24 -0.04 1.64 1.99 2dh4B1 LEU 13 HG 0.01 0.03 -0.19 -0.04 1.64 1.45 2dh4B1 LEU 13 HD13 0.02 -0.02 0.04 -0.04 0.93 0.92 2dh4B1 LEU 13 HD23 0.01 -0.02 0.00 -0.04 0.89 0.84 2dh4B1 ILE 14 H 0.00 0.56 -0.02 -0.55 8.25 8.24 2dh4B1 ILE 14 HA 0.00 0.08 0.45 -0.75 4.18 3.96 2dh4B1 ILE 14 HB 0.00 -0.06 0.11 -0.04 1.89 1.90 2dh4B1 ILE 14 HG12 0.00 0.18 0.14 -0.04 1.49 1.77 2dh4B1 ILE 14 HG13 0.00 0.04 -0.23 -0.04 1.21 0.98 2dh4B1 ILE 14 HG23 0.00 0.03 0.04 -0.04 0.93 0.96 2dh4B1 ILE 14 HD13 0.00 -0.05 -0.05 -0.04 0.88 0.73 2dh4B1 ASN 15 H 0.00 0.29 -0.52 -0.55 8.53 7.75 2dh4B1 ASN 15 HA 0.00 0.13 0.89 -0.75 4.76 5.03 2dh4B1 ASN 15 HB2 0.00 0.11 0.10 -0.04 2.88 3.05 2dh4B1 ASN 15 HB3 0.00 -0.10 0.13 -0.04 2.79 2.78 2dh4B1 ASN 15 HD21 0.00 -0.13 -0.03 -0.04 7.03 6.83 2dh4B1 ASN 15 HD22 0.00 0.51 0.05 -0.04 7.74 8.26 2dh4B1 ASN 16 H 0.01 0.38 -0.27 -0.55 8.53 8.10 2dh4B1 ASN 16 HA 0.01 0.10 0.96 -0.75 4.76 5.06 2dh4B1 ASN 16 HB2 0.01 0.12 0.13 -0.04 2.88 3.10 2dh4B1 ASN 16 HB3 0.01 -0.03 0.11 -0.04 2.79 2.85 2dh4B1 ASN 16 HD21 0.01 -0.13 -0.03 -0.04 7.03 6.84 2dh4B1 ASN 16 HD22 0.01 0.02 -0.05 -0.04 7.74 7.68 2dh4B1 ASP 17 H 0.01 0.02 0.13 -0.55 8.40 8.01 2dh4B1 ASP 17 HA 0.01 0.09 0.47 -0.75 4.63 4.44 2dh4B1 ASP 17 HB2 0.02 -0.05 0.05 -0.04 2.71 2.69 2dh4B1 ASP 17 HB3 0.02 0.06 0.09 -0.04 2.70 2.82 2dh4B1 PRO 18 HA 0.03 0.07 0.46 -0.51 4.44 4.49 2dh4B1 PRO 18 HB2 0.03 0.03 -0.04 -0.04 2.28 2.26 2dh4B1 PRO 18 HB3 0.01 0.03 0.10 -0.04 2.02 2.12 2dh4B1 PRO 18 HG2 -0.01 -0.01 0.06 -0.04 2.03 2.03 2dh4B1 PRO 18 HG3 -0.03 0.03 0.06 -0.04 2.03 2.05 2dh4B1 PRO 18 HD2 -0.00 0.03 0.22 -0.04 3.68 3.89 2dh4B1 PRO 18 HD3 -0.00 0.18 0.17 -0.04 3.65 3.96 2dh4B1 VAL 19 H 0.07 0.10 0.16 -0.55 8.24 8.02 2dh4B1 VAL 19 HA 0.09 0.10 0.60 -0.75 4.13 4.16 2dh4B1 VAL 19 HB 0.06 -0.03 0.15 -0.04 2.12 2.26 2dh4B1 VAL 19 HG13 0.03 -0.03 -0.12 -0.04 0.97 0.81 2dh4B1 VAL 19 HG23 0.03 0.03 0.03 -0.04 0.95 1.00 2dh4B1 TRP 20 H 0.18 0.31 0.15 -0.55 7.97 8.06 2dh4B1 TRP 20 HA -0.02 0.07 0.71 -0.75 4.62 4.63 2dh4B1 TRP 20 HB2 -0.01 0.10 -0.23 -0.04 3.23 3.05 2dh4B1 TRP 20 HB3 -0.00 0.02 0.04 -0.04 3.23 3.25 2dh4B1 TRP 20 HD1 0.01 -0.01 -0.15 -0.04 7.22 7.03 2dh4B1 TRP 20 HE1 -0.01 -0.01 -0.07 -0.04 10.20 10.07 2dh4B1 TRP 20 HE3 -0.03 0.13 0.07 -0.04 7.59 7.72 2dh4B1 TRP 20 HZ2 -0.19 0.04 -0.23 -0.04 7.44 7.03 2dh4B1 TRP 20 HZ3 -0.06 0.02 -0.01 -0.04 7.13 7.04 2dh4B1 TRP 20 HH2 -0.13 0.03 -0.07 -0.04 7.19 6.98 2dh4B1 SER 21 H -0.57 0.09 0.13 -0.55 8.46 7.57 2dh4B1 SER 21 HA -0.14 0.30 0.86 -0.75 4.49 4.76 2dh4B1 SER 21 HB2 -0.16 -0.03 0.19 -0.04 3.95 3.91 2dh4B1 SER 21 HB3 -0.15 0.14 0.04 -0.04 3.93 3.92 2dh4B1 SER 22 H -0.12 0.23 0.19 -0.55 8.46 8.21 2dh4B1 SER 22 HA -0.10 0.16 0.52 -0.75 4.49 4.31 2dh4B1 SER 22 HB2 -0.03 0.07 0.08 -0.04 3.95 4.02 2dh4B1 SER 22 HB3 -0.03 0.07 0.12 -0.04 3.93 4.05 2dh4B1 GLN 23 H -0.18 0.03 -0.15 -0.55 8.47 7.62 2dh4B1 GLN 23 HA -0.11 0.15 0.46 -0.75 4.36 4.11 2dh4B1 GLN 23 HB2 -0.17 -0.06 0.07 -0.04 2.15 1.95 2dh4B1 GLN 23 HB3 -0.12 0.09 0.00 -0.04 2.02 1.95 2dh4B1 GLN 23 HG2 -0.07 0.07 0.02 -0.04 2.40 2.38 2dh4B1 GLN 23 HG3 -0.07 0.06 0.00 -0.04 2.39 2.35 2dh4B1 GLN 23 HE21 -0.05 0.03 0.02 -0.04 6.97 6.93 2dh4B1 GLN 23 HE22 -0.05 0.08 -0.02 -0.04 7.69 7.66 2dh4B1 ASN 24 H -0.48 -0.02 -0.21 -0.55 8.53 7.27 2dh4B1 ASN 24 HA -0.45 0.08 0.39 -0.75 4.76 4.03 2dh4B1 ASN 24 HB2 -2.05 0.11 0.15 -0.04 2.88 1.05 2dh4B1 ASN 24 HB3 -2.47 0.09 0.01 -0.04 2.79 0.39 2dh4B1 ASN 24 HD21 -0.23 0.06 0.01 -0.04 7.03 6.83 2dh4B1 ASN 24 HD22 -0.33 0.01 0.00 -0.04 7.74 7.39 2dh4B1 GLU 25 H -0.61 0.47 -0.21 -0.55 8.60 7.71 2dh4B1 GLU 25 HA 0.34 0.03 0.32 -0.75 4.29 4.23 2dh4B1 GLU 25 HB2 0.10 0.05 0.08 -0.04 2.09 2.28 2dh4B1 GLU 25 HB3 -0.00 0.11 0.11 -0.04 1.99 2.16 2dh4B1 GLU 25 HG2 0.18 -0.01 -0.04 -0.04 2.34 2.44 2dh4B1 GLU 25 HG3 0.17 0.00 -0.13 -0.04 2.34 2.33 2dh4B1 SER 26 H -0.09 0.41 -0.30 -0.55 8.46 7.93 2dh4B1 SER 26 HA 0.02 0.04 0.46 -0.75 4.49 4.26 2dh4B1 SER 26 HB2 -0.05 0.08 0.15 -0.04 3.95 4.09 2dh4B1 SER 26 HB3 -0.01 -0.03 -0.02 -0.04 3.93 3.83 2dh4B1 LEU 27 H -0.09 0.44 -0.10 -0.55 8.37 8.08 2dh4B1 LEU 27 HA -0.01 0.01 0.43 -0.75 4.35 4.02 2dh4B1 LEU 27 HB2 -0.06 0.11 0.21 -0.04 1.64 1.86 2dh4B1 LEU 27 HB3 -0.01 -0.02 0.04 -0.04 1.64 1.61 2dh4B1 LEU 27 HG -0.08 0.10 0.06 -0.04 1.64 1.68 2dh4B1 LEU 27 HD13 -0.07 -0.02 0.01 -0.04 0.93 0.80 2dh4B1 LEU 27 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 2dh4B1 ILE 28 H 0.03 0.48 -0.15 -0.55 8.25 8.06 2dh4B1 ILE 28 HA 0.01 0.03 0.32 -0.75 4.18 3.79 2dh4B1 ILE 28 HB 0.09 0.09 0.04 -0.04 1.89 2.07 2dh4B1 ILE 28 HG12 0.24 0.20 0.06 -0.04 1.49 1.94 2dh4B1 ILE 28 HG13 0.34 -0.04 -0.02 -0.04 1.21 1.45 2dh4B1 ILE 28 HG23 -0.18 -0.02 -0.00 -0.04 0.93 0.68 2dh4B1 ILE 28 HD13 0.08 -0.02 -0.06 -0.04 0.88 0.84 2dh4B1 SER 29 H 0.03 0.35 -0.49 -0.55 8.46 7.80 2dh4B1 SER 29 HA 0.08 0.09 0.72 -0.75 4.49 4.63 2dh4B1 SER 29 HB2 0.06 0.08 0.09 -0.04 3.95 4.14 2dh4B1 SER 29 HB3 0.11 -0.13 0.11 -0.04 3.93 3.99 2dh4B1 LYS 30 H -0.09 0.48 -0.19 -0.55 8.42 8.06 2dh4B1 LYS 30 HA -0.14 -0.03 0.29 -0.75 4.32 3.69 2dh4B1 LYS 30 HB2 -0.36 0.12 0.15 -0.04 1.87 1.74 2dh4B1 LYS 30 HB3 -0.70 -0.06 -0.01 -0.04 1.79 0.98 2dh4B1 LYS 30 HG2 0.01 -0.08 0.04 -0.04 1.46 1.40 2dh4B1 LYS 30 HG3 -0.04 0.20 0.15 -0.04 1.46 1.73 2dh4B1 LYS 30 HD2 0.04 0.09 0.12 -0.04 1.69 1.90 2dh4B1 LYS 30 HD3 0.21 -0.03 0.03 -0.04 1.68 1.85 2dh4B1 LYS 30 HE2 0.08 -0.03 -0.01 -0.04 2.99 2.99 2dh4B1 LYS 30 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.94 2dh4B1 PRO 31 HA -0.59 0.03 0.41 -0.51 4.44 3.79 2dh4B1 PRO 31 HB2 -0.03 0.06 -0.06 -0.04 2.28 2.20 2dh4B1 PRO 31 HB3 -0.00 -0.05 -0.02 -0.04 2.02 1.90 2dh4B1 PRO 31 HG2 -0.07 0.10 -0.22 -0.04 2.03 1.80 2dh4B1 PRO 31 HG3 -0.32 0.01 -0.06 -0.04 2.03 1.63 2dh4B1 PRO 31 HD2 -0.13 0.27 -0.18 -0.04 3.68 3.59 2dh4B1 PRO 31 HD3 -0.35 0.15 0.03 -0.04 3.65 3.44 2dh4B1 TYR 32 H 0.05 0.28 -0.36 -0.55 8.29 7.71 2dh4B1 TYR 32 HA -0.00 0.04 0.51 -0.75 4.56 4.36 2dh4B1 TYR 32 HB2 0.01 -0.01 0.05 -0.04 3.06 3.07 2dh4B1 TYR 32 HB3 0.01 0.12 0.13 -0.04 2.98 3.20 2dh4B1 TYR 32 HD2 0.00 0.00 -0.13 -0.04 7.15 6.98 2dh4B1 TYR 32 HE2 0.00 0.00 -0.02 -0.04 6.85 6.79 2dh4B1 ASN 33 H 0.07 0.65 0.04 -0.55 8.53 8.74 2dh4B1 ASN 33 HA 0.02 0.02 0.40 -0.75 4.76 4.44 2dh4B1 ASN 33 HB2 0.03 0.06 0.07 -0.04 2.88 3.00 2dh4B1 ASN 33 HB3 0.05 -0.03 0.02 -0.04 2.79 2.79 2dh4B1 ASN 33 HD21 0.07 -0.04 -0.05 -0.04 7.03 6.97 2dh4B1 ASN 33 HD22 0.04 -0.00 -0.08 -0.04 7.74 7.66 2dh4B1 HIS 34 H 0.06 0.48 -0.34 -0.55 8.41 8.06 2dh4B1 HIS 34 HA 0.07 0.03 0.36 -0.75 4.63 4.33 2dh4B1 HIS 34 HB2 0.31 0.03 0.09 -0.04 3.26 3.65 2dh4B1 HIS 34 HB3 0.15 0.10 0.13 -0.04 3.20 3.54 2dh4B1 HIS 34 HD2 0.10 -0.08 -0.18 -0.04 6.97 6.77 2dh4B1 HIS 34 HE1 0.02 -0.06 -0.02 -0.04 7.75 7.65 2dh4B1 ILE 35 H -0.03 0.35 -0.15 -0.55 8.25 7.87 2dh4B1 ILE 35 HA -0.09 0.09 0.48 -0.75 4.18 3.91 2dh4B1 ILE 35 HB -0.02 -0.01 0.15 -0.04 1.89 1.97 2dh4B1 ILE 35 HG12 -0.06 0.01 0.12 -0.04 1.49 1.52 2dh4B1 ILE 35 HG13 0.01 -0.03 0.06 -0.04 1.21 1.21 2dh4B1 ILE 35 HG23 -0.33 0.05 -0.06 -0.04 0.93 0.56 2dh4B1 ILE 35 HD13 -0.05 -0.02 -0.00 -0.04 0.88 0.77 2dh4B1 LEU 36 H -0.19 0.35 -0.39 -0.55 8.37 7.59 2dh4B1 LEU 36 HA -0.13 0.02 0.42 -0.75 4.35 3.92 2dh4B1 LEU 36 HB2 -0.07 0.24 0.12 -0.04 1.64 1.89 2dh4B1 LEU 36 HB3 -0.04 -0.08 0.06 -0.04 1.64 1.54 2dh4B1 LEU 36 HG -0.31 0.14 -0.03 -0.04 1.64 1.40 2dh4B1 LEU 36 HD13 0.10 -0.03 -0.02 -0.04 0.93 0.94 2dh4B1 LEU 36 HD23 -0.15 -0.02 -0.02 -0.04 0.89 0.65 2dh4B1 LEU 37 H -0.13 0.38 -0.47 -0.55 8.37 7.60 2dh4B1 LEU 37 HA -0.04 0.01 0.54 -0.75 4.35 4.10 2dh4B1 LEU 37 HB2 -0.19 0.14 0.09 -0.04 1.64 1.64 2dh4B1 LEU 37 HB3 -0.07 -0.10 0.12 -0.04 1.64 1.55 2dh4B1 LEU 37 HG -0.09 0.18 0.07 -0.04 1.64 1.76 2dh4B1 LEU 37 HD13 -0.08 -0.03 0.03 -0.04 0.93 0.81 2dh4B1 LEU 37 HD23 -0.02 -0.03 -0.03 -0.04 0.89 0.77 2dh4B1 LYS 38 H -0.07 0.46 -0.44 -0.55 8.42 7.82 2dh4B1 LYS 38 HA -0.01 0.06 0.58 -0.75 4.32 4.19 2dh4B1 LYS 38 HB2 -0.03 -0.06 0.12 -0.04 1.87 1.86 2dh4B1 LYS 38 HB3 -0.02 0.17 0.18 -0.04 1.79 2.08 2dh4B1 LYS 38 HG2 0.04 0.16 0.02 -0.04 1.46 1.64 2dh4B1 LYS 38 HG3 0.03 -0.09 -0.02 -0.04 1.46 1.33 2dh4B1 LYS 38 HD2 0.02 -0.10 -0.04 -0.04 1.69 1.53 2dh4B1 LYS 38 HD3 0.03 -0.01 -0.06 -0.04 1.68 1.60 2dh4B1 LYS 38 HE2 0.09 0.30 0.03 -0.04 2.99 3.37 2dh4B1 LYS 38 HE3 0.08 -0.14 -0.03 -0.04 2.99 2.86 2dh4B1 PRO 39 HA 0.05 0.14 0.84 -0.51 4.44 4.96 2dh4B1 PRO 39 HB2 0.09 -0.15 0.17 -0.04 2.28 2.35 2dh4B1 PRO 39 HB3 0.05 0.09 0.07 -0.04 2.02 2.19 2dh4B1 PRO 39 HG2 0.08 0.00 -0.02 -0.04 2.03 2.05 2dh4B1 PRO 39 HG3 0.06 0.03 0.07 -0.04 2.03 2.15 2dh4B1 PRO 39 HD2 0.04 0.06 0.24 -0.04 3.68 3.97 2dh4B1 PRO 39 HD3 0.02 0.23 0.25 -0.04 3.65 4.12 2dh4B1 GLY 40 H 0.12 0.03 0.21 -0.55 8.43 8.25 2dh4B1 GLY 40 HA2 0.32 -0.03 0.42 -0.51 4.01 4.21 2dh4B1 GLY 40 HA3 0.14 0.41 0.90 -0.51 4.01 4.95 2dh4B1 LYS 41 H 0.08 0.17 -0.02 -0.55 8.42 8.09 2dh4B1 LYS 41 HA 0.04 0.15 0.38 -0.75 4.32 4.14 2dh4B1 LYS 41 HB2 0.04 0.19 0.10 -0.04 1.87 2.15 2dh4B1 LYS 41 HB3 0.03 -0.05 0.08 -0.04 1.79 1.80 2dh4B1 LYS 41 HG2 0.02 -0.08 -0.03 -0.04 1.46 1.32 2dh4B1 LYS 41 HG3 0.04 0.06 0.03 -0.04 1.46 1.54 2dh4B1 LYS 41 HD2 0.02 0.10 0.01 -0.04 1.69 1.78 2dh4B1 LYS 41 HD3 0.02 -0.05 -0.06 -0.04 1.68 1.55 2dh4B1 LYS 41 HE2 0.02 -0.04 -0.04 -0.04 2.99 2.89 2dh4B1 LYS 41 HE3 0.04 0.03 -0.02 -0.04 2.99 3.00 2dh4B1 ASN 42 H 0.02 0.06 -0.09 -0.55 8.53 7.98 2dh4B1 ASN 42 HA -0.04 0.12 0.52 -0.75 4.76 4.61 2dh4B1 ASN 42 HB2 -0.11 -0.03 0.08 -0.04 2.88 2.78 2dh4B1 ASN 42 HB3 -0.17 0.04 -0.01 -0.04 2.79 2.61 2dh4B1 ASN 42 HD21 -0.02 0.06 0.01 -0.04 7.03 7.04 2dh4B1 ASN 42 HD22 -0.02 -0.03 0.04 -0.04 7.74 7.69 2dh4B1 PHE 43 H 0.12 0.14 -0.34 -0.55 8.34 7.71 2dh4B1 PHE 43 HA 0.03 0.03 0.42 -0.75 4.62 4.35 2dh4B1 PHE 43 HB2 0.02 0.31 0.11 -0.04 3.15 3.54 2dh4B1 PHE 43 HB3 0.02 0.03 -0.18 -0.04 3.06 2.88 2dh4B1 PHE 43 HD2 0.01 -0.02 0.02 -0.04 7.28 7.25 2dh4B1 PHE 43 HE2 -0.16 -0.00 -0.01 -0.04 7.38 7.17 2dh4B1 PHE 43 HZ -0.05 0.00 -0.01 -0.04 7.32 7.22 2dh4B1 ARG 44 H 0.09 0.44 -0.10 -0.55 8.46 8.34 2dh4B1 ARG 44 HA -0.00 0.03 0.43 -0.75 4.34 4.05 2dh4B1 ARG 44 HB2 -0.08 0.22 0.11 -0.04 1.90 2.11 2dh4B1 ARG 44 HB3 -0.05 0.03 0.05 -0.04 1.80 1.78 2dh4B1 ARG 44 HG2 -0.16 -0.03 -0.06 -0.04 1.67 1.37 2dh4B1 ARG 44 HG3 -0.17 -0.09 0.06 -0.04 1.67 1.43 2dh4B1 ARG 44 HD2 -0.40 0.21 0.01 -0.04 3.22 3.00 2dh4B1 ARG 44 HD3 -0.60 0.01 -0.03 -0.04 3.22 2.56 2dh4B1 LEU 45 H 0.00 0.49 -0.20 -0.55 8.37 8.12 2dh4B1 LEU 45 HA -0.00 0.03 0.41 -0.75 4.35 4.02 2dh4B1 LEU 45 HB2 -0.00 0.09 0.13 -0.04 1.64 1.81 2dh4B1 LEU 45 HB3 -0.02 0.07 0.15 -0.04 1.64 1.79 2dh4B1 LEU 45 HG -0.01 -0.06 -0.14 -0.04 1.64 1.40 2dh4B1 LEU 45 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.89 2dh4B1 LEU 45 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.80 2dh4B1 ASN 46 H -0.00 0.54 -0.31 -0.55 8.53 8.22 2dh4B1 ASN 46 HA 0.01 -0.03 0.36 -0.75 4.76 4.34 2dh4B1 ASN 46 HB2 -0.05 0.06 0.14 -0.04 2.88 2.99 2dh4B1 ASN 46 HB3 0.08 0.25 0.21 -0.04 2.79 3.29 2dh4B1 ASN 46 HD21 0.21 -0.05 -0.10 -0.04 7.03 7.05 2dh4B1 ASN 46 HD22 0.17 0.08 -0.15 -0.04 7.74 7.80 2dh4B1 LEU 47 H 0.07 0.54 -0.14 -0.55 8.37 8.30 2dh4B1 LEU 47 HA 0.10 -0.03 0.37 -0.75 4.35 4.03 2dh4B1 LEU 47 HB2 0.11 0.03 0.11 -0.04 1.64 1.84 2dh4B1 LEU 47 HB3 0.04 0.17 0.12 -0.04 1.64 1.94 2dh4B1 LEU 47 HG 0.10 -0.01 -0.19 -0.04 1.64 1.50 2dh4B1 LEU 47 HD13 0.18 -0.02 0.03 -0.04 0.93 1.07 2dh4B1 LEU 47 HD23 0.14 0.00 -0.02 -0.04 0.89 0.97 2dh4B1 ILE 48 H 0.02 0.46 -0.26 -0.55 8.25 7.91 2dh4B1 ILE 48 HA 0.02 -0.00 0.43 -0.75 4.18 3.87 2dh4B1 ILE 48 HB 0.00 0.11 0.19 -0.04 1.89 2.15 2dh4B1 ILE 48 HG12 -0.01 -0.05 -0.01 -0.04 1.49 1.38 2dh4B1 ILE 48 HG13 -0.02 0.14 0.04 -0.04 1.21 1.33 2dh4B1 ILE 48 HG23 0.00 -0.02 -0.14 -0.04 0.93 0.74 2dh4B1 ILE 48 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.73 2dh4B1 VAL 49 H 0.02 0.80 -0.00 -0.55 8.24 8.51 2dh4B1 VAL 49 HA 0.01 -0.01 0.40 -0.75 4.13 3.77 2dh4B1 VAL 49 HB 0.01 0.10 0.19 -0.04 2.12 2.38 2dh4B1 VAL 49 HG13 0.00 -0.02 -0.12 -0.04 0.97 0.78 2dh4B1 VAL 49 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.93 2dh4B1 GLN 50 H 0.04 0.78 -0.05 -0.55 8.47 8.69 2dh4B1 GLN 50 HA 0.02 -0.00 0.37 -0.75 4.36 3.99 2dh4B1 GLN 50 HB2 0.07 0.10 0.12 -0.04 2.15 2.40 2dh4B1 GLN 50 HB3 0.05 -0.08 -0.02 -0.04 2.02 1.94 2dh4B1 GLN 50 HG2 0.07 0.26 -0.05 -0.04 2.40 2.64 2dh4B1 GLN 50 HG3 0.10 -0.06 -0.05 -0.04 2.39 2.34 2dh4B1 GLN 50 HE21 0.01 -0.03 -0.04 -0.04 6.97 6.88 2dh4B1 GLN 50 HE22 0.04 0.04 -0.01 -0.04 7.69 7.72 2dh4B1 ILE 51 H 0.04 0.63 -0.10 -0.55 8.25 8.28 2dh4B1 ILE 51 HA 0.02 0.00 0.43 -0.75 4.18 3.87 2dh4B1 ILE 51 HB 0.03 0.13 0.14 -0.04 1.89 2.16 2dh4B1 ILE 51 HG12 0.10 -0.07 0.04 -0.04 1.49 1.53 2dh4B1 ILE 51 HG13 0.09 0.10 0.13 -0.04 1.21 1.49 2dh4B1 ILE 51 HG23 0.01 -0.03 -0.01 -0.04 0.93 0.86 2dh4B1 ILE 51 HD13 0.11 -0.03 -0.06 -0.04 0.88 0.87 2dh4B1 ASN 52 H 0.01 0.46 -0.53 -0.55 8.53 7.92 2dh4B1 ASN 52 HA -0.02 -0.05 0.49 -0.75 4.76 4.42 2dh4B1 ASN 52 HB2 0.00 0.16 0.12 -0.04 2.88 3.12 2dh4B1 ASN 52 HB3 -0.00 0.11 0.09 -0.04 2.79 2.95 2dh4B1 ASN 52 HD21 -0.00 0.36 0.06 -0.04 7.03 7.40 2dh4B1 ASN 52 HD22 -0.00 -0.00 -0.00 -0.04 7.74 7.69 2dh4B1 ARG 53 H -0.00 0.61 -0.38 -0.55 8.46 8.14 2dh4B1 ARG 53 HA -0.01 0.01 0.45 -0.75 4.34 4.04 2dh4B1 ARG 53 HB2 -0.01 0.17 0.16 -0.04 1.90 2.18 2dh4B1 ARG 53 HB3 -0.01 -0.06 0.06 -0.04 1.80 1.75 2dh4B1 ARG 53 HG2 -0.00 -0.06 0.05 -0.04 1.67 1.62 2dh4B1 ARG 53 HG3 0.00 0.10 0.09 -0.04 1.67 1.83 2dh4B1 ARG 53 HD2 0.01 -0.06 0.03 -0.04 3.22 3.16 2dh4B1 ARG 53 HD3 0.00 0.01 0.05 -0.04 3.22 3.24 2dh4B1 VAL 54 H -0.02 0.31 -0.24 -0.55 8.24 7.74 2dh4B1 VAL 54 HA -0.01 0.14 0.74 -0.75 4.13 4.24 2dh4B1 VAL 54 HB -0.04 0.06 0.15 -0.04 2.12 2.25 2dh4B1 VAL 54 HG13 -0.02 -0.01 -0.03 -0.04 0.97 0.87 2dh4B1 VAL 54 HG23 -0.03 -0.02 -0.02 -0.04 0.95 0.83 2dh4B1 MET 55 H -0.05 0.26 0.08 -0.55 8.47 8.21 2dh4B1 MET 55 HA -0.15 0.16 0.59 -0.75 4.52 4.36 2dh4B1 MET 55 HB2 -0.05 -0.10 0.04 -0.04 2.15 2.00 2dh4B1 MET 55 HB3 -0.09 0.10 -0.00 -0.04 2.03 1.99 2dh4B1 MET 55 HG2 -0.08 0.22 0.03 -0.04 2.63 2.76 2dh4B1 MET 55 HG3 -0.09 -0.09 -0.13 -0.04 2.56 2.22 2dh4B1 MET 55 HE3 -0.64 0.06 -0.02 -0.04 2.10 1.45 2dh4B1 ASN 56 H -0.02 0.56 0.00 -0.55 8.53 8.53 2dh4B1 ASN 56 HA -0.00 0.09 0.34 -0.75 4.76 4.43 2dh4B1 ASN 56 HB2 0.01 0.08 -0.02 -0.04 2.88 2.91 2dh4B1 ASN 56 HB3 0.00 -0.10 0.15 -0.04 2.79 2.80 2dh4B1 ASN 56 HD21 0.01 0.06 -0.13 -0.04 7.03 6.92 2dh4B1 ASN 56 HD22 0.02 -0.03 -0.28 -0.04 7.74 7.41 2dh4B1 LEU 57 H -0.01 0.01 -0.08 -0.55 8.37 7.74 2dh4B1 LEU 57 HA 0.00 0.21 0.56 -0.75 4.35 4.37 2dh4B1 LEU 57 HB2 0.00 -0.10 -0.05 -0.04 1.64 1.44 2dh4B1 LEU 57 HB3 0.00 0.02 0.01 -0.04 1.64 1.63 2dh4B1 LEU 57 HG -0.01 -0.08 -0.04 -0.04 1.64 1.47 2dh4B1 LEU 57 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.76 2dh4B1 LEU 57 HD23 -0.01 0.09 -0.22 -0.04 0.89 0.71 2dh4B1 PRO 58 HA 0.00 0.10 0.47 -0.51 4.44 4.50 2dh4B1 PRO 58 HB2 0.00 -0.11 0.08 -0.04 2.28 2.22 2dh4B1 PRO 58 HB3 0.00 0.11 0.16 -0.04 2.02 2.26 2dh4B1 PRO 58 HG2 0.01 -0.21 0.13 -0.04 2.03 1.91 2dh4B1 PRO 58 HG3 0.01 0.11 0.13 -0.04 2.03 2.24 2dh4B1 PRO 58 HD2 0.01 0.14 0.26 -0.04 3.68 4.04 2dh4B1 PRO 58 HD3 0.01 0.25 0.27 -0.04 3.65 4.13 2dh4B1 LYS 59 H 0.00 0.17 0.17 -0.55 8.42 8.21 2dh4B1 LYS 59 HA 0.00 0.12 0.29 -0.75 4.32 3.98 2dh4B1 LYS 59 HB2 0.00 -0.03 0.13 -0.04 1.87 1.93 2dh4B1 LYS 59 HB3 0.00 0.03 0.04 -0.04 1.79 1.82 2dh4B1 LYS 59 HG2 -0.00 0.07 0.06 -0.04 1.46 1.54 2dh4B1 LYS 59 HG3 -0.00 -0.01 0.13 -0.04 1.46 1.54 2dh4B1 LYS 59 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.67 2dh4B1 LYS 59 HD3 -0.00 0.00 0.02 -0.04 1.68 1.66 2dh4B1 LYS 59 HE2 -0.00 0.00 0.02 -0.04 2.99 2.97 2dh4B1 LYS 59 HE3 -0.00 -0.00 0.01 -0.04 2.99 2.95 2dh4B1 ASP 60 H 0.00 0.09 -0.12 -0.55 8.40 7.83 2dh4B1 ASP 60 HA 0.00 0.08 0.42 -0.75 4.63 4.38 2dh4B1 ASP 60 HB2 0.00 -0.04 0.10 -0.04 2.71 2.73 2dh4B1 ASP 60 HB3 0.00 0.11 -0.06 -0.04 2.70 2.71 2dh4B1 GLN 61 H 0.01 0.13 -0.19 -0.55 8.47 7.87 2dh4B1 GLN 61 HA 0.01 0.10 0.45 -0.75 4.36 4.17 2dh4B1 GLN 61 HB2 0.01 -0.04 0.14 -0.04 2.15 2.22 2dh4B1 GLN 61 HB3 0.01 0.10 0.07 -0.04 2.02 2.15 2dh4B1 GLN 61 HG2 0.01 -0.06 -0.07 -0.04 2.40 2.25 2dh4B1 GLN 61 HG3 0.01 0.05 0.14 -0.04 2.39 2.56 2dh4B1 GLN 61 HE21 0.02 -0.05 0.12 -0.04 6.97 7.02 2dh4B1 GLN 61 HE22 0.02 0.39 0.22 -0.04 7.69 8.28 2dh4B1 LEU 62 H 0.00 0.52 -0.23 -0.55 8.37 8.11 2dh4B1 LEU 62 HA 0.01 0.04 0.37 -0.75 4.35 4.00 2dh4B1 LEU 62 HB2 0.00 0.11 -0.09 -0.04 1.64 1.62 2dh4B1 LEU 62 HB3 0.00 0.07 -0.01 -0.04 1.64 1.66 2dh4B1 LEU 62 HG 0.00 -0.09 -0.07 -0.04 1.64 1.44 2dh4B1 LEU 62 HD13 0.00 0.01 -0.04 -0.04 0.93 0.86 2dh4B1 LEU 62 HD23 0.00 0.00 -0.11 -0.04 0.89 0.74 2dh4B1 ALA 63 H 0.01 0.51 -0.27 -0.55 8.40 8.10 2dh4B1 ALA 63 HA 0.01 -0.00 0.44 -0.75 4.34 4.03 2dh4B1 ALA 63 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 2dh4B1 ILE 64 H 0.01 0.41 -0.26 -0.55 8.25 7.86 2dh4B1 ILE 64 HA 0.01 0.02 0.46 -0.75 4.18 3.92 2dh4B1 ILE 64 HB 0.01 0.17 0.13 -0.04 1.89 2.16 2dh4B1 ILE 64 HG12 0.01 -0.07 -0.00 -0.04 1.49 1.39 2dh4B1 ILE 64 HG13 0.01 0.06 0.04 -0.04 1.21 1.28 2dh4B1 ILE 64 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 2dh4B1 ILE 64 HD13 0.01 -0.01 -0.06 -0.04 0.88 0.78 2dh4B1 VAL 65 H 0.01 0.45 -0.15 -0.55 8.24 8.00 2dh4B1 VAL 65 HA 0.02 0.03 0.34 -0.75 4.13 3.77 2dh4B1 VAL 65 HB 0.01 0.13 0.18 -0.04 2.12 2.40 2dh4B1 VAL 65 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 2dh4B1 VAL 65 HG23 0.01 0.04 -0.00 -0.04 0.95 0.96 2dh4B1 SER 66 H 0.01 0.52 -0.28 -0.55 8.46 8.16 2dh4B1 SER 66 HA 0.01 -0.01 0.35 -0.75 4.49 4.08 2dh4B1 SER 66 HB2 0.01 0.08 0.11 -0.04 3.95 4.10 2dh4B1 SER 66 HB3 0.01 0.19 0.15 -0.04 3.93 4.25 2dh4B1 GLN 67 H 0.02 0.53 -0.16 -0.55 8.47 8.31 2dh4B1 GLN 67 HA 0.04 -0.01 0.43 -0.75 4.36 4.06 2dh4B1 GLN 67 HB2 0.02 0.16 0.17 -0.04 2.15 2.46 2dh4B1 GLN 67 HB3 0.02 -0.06 -0.02 -0.04 2.02 1.92 2dh4B1 GLN 67 HG2 0.03 -0.07 0.03 -0.04 2.40 2.34 2dh4B1 GLN 67 HG3 0.02 0.09 0.08 -0.04 2.39 2.54 2dh4B1 GLN 67 HE21 0.01 -0.04 -0.14 -0.04 6.97 6.76 2dh4B1 GLN 67 HE22 0.01 0.03 -0.19 -0.04 7.69 7.50 2dh4B1 ILE 68 H 0.03 0.57 -0.25 -0.55 8.25 8.04 2dh4B1 ILE 68 HA 0.05 -0.00 0.42 -0.75 4.18 3.90 2dh4B1 ILE 68 HB 0.04 0.16 0.20 -0.04 1.89 2.25 2dh4B1 ILE 68 HG12 0.02 0.05 0.03 -0.04 1.49 1.54 2dh4B1 ILE 68 HG13 0.02 0.09 0.00 -0.04 1.21 1.28 2dh4B1 ILE 68 HG23 0.14 -0.03 -0.15 -0.04 0.93 0.86 2dh4B1 ILE 68 HD13 0.01 -0.02 -0.20 -0.04 0.88 0.63 2dh4B1 VAL 69 H 0.03 0.62 -0.08 -0.55 8.24 8.26 2dh4B1 VAL 69 HA 0.02 -0.02 0.35 -0.75 4.13 3.74 2dh4B1 VAL 69 HB -0.00 0.16 0.18 -0.04 2.12 2.42 2dh4B1 VAL 69 HG13 -0.07 -0.02 -0.17 -0.04 0.97 0.67 2dh4B1 VAL 69 HG23 -0.02 0.02 0.03 -0.04 0.95 0.93 2dh4B1 GLU 70 H 0.05 0.60 -0.14 -0.55 8.60 8.56 2dh4B1 GLU 70 HA 0.10 0.02 0.46 -0.75 4.29 4.11 2dh4B1 GLU 70 HB2 0.08 0.09 0.14 -0.04 2.09 2.36 2dh4B1 GLU 70 HB3 0.11 -0.04 0.00 -0.04 1.99 2.02 2dh4B1 GLU 70 HG2 0.03 0.15 0.04 -0.04 2.34 2.52 2dh4B1 GLU 70 HG3 0.05 -0.04 -0.01 -0.04 2.34 2.30 2dh4B1 LEU 71 H 0.09 0.57 -0.17 -0.55 8.37 8.32 2dh4B1 LEU 71 HA 0.23 -0.01 0.47 -0.75 4.35 4.28 2dh4B1 LEU 71 HB2 0.06 0.12 0.19 -0.04 1.64 1.96 2dh4B1 LEU 71 HB3 -0.00 -0.01 -0.02 -0.04 1.64 1.57 2dh4B1 LEU 71 HG 0.05 0.07 0.07 -0.04 1.64 1.79 2dh4B1 LEU 71 HD13 -0.04 -0.02 -0.10 -0.04 0.93 0.72 2dh4B1 LEU 71 HD23 -0.26 -0.03 0.02 -0.04 0.89 0.58 2dh4B1 LEU 72 H 0.11 0.61 -0.08 -0.55 8.37 8.45 2dh4B1 LEU 72 HA 0.21 0.01 0.43 -0.75 4.35 4.24 2dh4B1 LEU 72 HB2 0.06 0.08 0.15 -0.04 1.64 1.89 2dh4B1 LEU 72 HB3 0.04 -0.06 0.02 -0.04 1.64 1.60 2dh4B1 LEU 72 HG 0.14 0.16 0.09 -0.04 1.64 1.99 2dh4B1 LEU 72 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2dh4B1 LEU 72 HD23 0.11 -0.01 0.02 -0.04 0.89 0.96 2dh4B1 HIS 73 H 0.15 0.65 -0.09 -0.55 8.41 8.57 2dh4B1 HIS 73 HA -0.02 -0.02 0.39 -0.75 4.63 4.24 2dh4B1 HIS 73 HB2 -0.06 0.02 0.12 -0.04 3.26 3.30 2dh4B1 HIS 73 HB3 -0.01 0.07 0.17 -0.04 3.20 3.39 2dh4B1 HIS 73 HD2 -0.01 0.00 -0.11 -0.04 6.97 6.81 2dh4B1 HIS 73 HE1 -0.03 -0.06 -0.04 -0.04 7.75 7.57 2dh4B1 ASN 74 H 0.11 0.66 -0.10 -0.55 8.53 8.65 2dh4B1 ASN 74 HA -0.16 0.02 0.42 -0.75 4.76 4.28 2dh4B1 ASN 74 HB2 0.19 0.12 0.16 -0.04 2.88 3.31 2dh4B1 ASN 74 HB3 -0.19 -0.08 -0.01 -0.04 2.79 2.47 2dh4B1 ASN 74 HD21 -0.01 -0.04 -0.03 -0.04 7.03 6.91 2dh4B1 ASN 74 HD22 0.07 -0.02 -0.06 -0.04 7.74 7.69 2dh4B1 SER 75 H 0.09 0.67 -0.10 -0.55 8.46 8.56 2dh4B1 SER 75 HA -0.02 -0.04 0.46 -0.75 4.49 4.12 2dh4B1 SER 75 HB2 -0.16 0.10 0.14 -0.04 3.95 3.99 2dh4B1 SER 75 HB3 -0.71 -0.07 -0.00 -0.04 3.93 3.11 2dh4B1 SER 76 H 0.01 0.66 -0.19 -0.55 8.46 8.40 2dh4B1 SER 76 HA 0.05 -0.02 0.42 -0.75 4.49 4.19 2dh4B1 SER 76 HB2 0.01 -0.08 0.09 -0.04 3.95 3.93 2dh4B1 SER 76 HB3 0.11 0.10 0.13 -0.04 3.93 4.23 2dh4B1 LEU 77 H -0.14 0.51 -0.23 -0.55 8.37 7.97 2dh4B1 LEU 77 HA -0.06 0.01 0.55 -0.75 4.35 4.09 2dh4B1 LEU 77 HB2 -0.14 0.15 0.17 -0.04 1.64 1.77 2dh4B1 LEU 77 HB3 -0.07 -0.09 0.02 -0.04 1.64 1.46 2dh4B1 LEU 77 HG -0.58 0.36 0.07 -0.04 1.64 1.45 2dh4B1 LEU 77 HD13 -0.20 -0.02 -0.04 -0.04 0.93 0.63 2dh4B1 LEU 77 HD23 -0.09 -0.04 -0.03 -0.04 0.89 0.69 2dh4B1 LEU 78 H -0.04 0.64 0.01 -0.55 8.37 8.44 2dh4B1 LEU 78 HA 0.04 -0.05 0.47 -0.75 4.35 4.05 2dh4B1 LEU 78 HB2 -0.01 0.14 0.19 -0.04 1.64 1.91 2dh4B1 LEU 78 HB3 0.03 -0.08 -0.03 -0.04 1.64 1.53 2dh4B1 LEU 78 HG -0.01 0.15 0.07 -0.04 1.64 1.81 2dh4B1 LEU 78 HD13 0.09 -0.01 -0.08 -0.04 0.93 0.89 2dh4B1 LEU 78 HD23 0.07 -0.02 0.04 -0.04 0.89 0.94 2dh4B1 ILE 79 H -0.04 0.64 -0.12 -0.55 8.25 8.19 2dh4B1 ILE 79 HA -0.03 0.00 0.48 -0.75 4.18 3.88 2dh4B1 ILE 79 HB 0.01 0.11 0.14 -0.04 1.89 2.11 2dh4B1 ILE 79 HG12 0.00 -0.05 0.04 -0.04 1.49 1.44 2dh4B1 ILE 79 HG13 -0.06 0.00 0.04 -0.04 1.21 1.16 2dh4B1 ILE 79 HG23 0.04 -0.01 -0.10 -0.04 0.93 0.81 2dh4B1 ILE 79 HD13 -0.04 -0.01 -0.08 -0.04 0.88 0.71 2dh4B1 ASP 80 H -0.02 0.60 -0.16 -0.55 8.40 8.27 2dh4B1 ASP 80 HA -0.02 0.01 0.37 -0.75 4.63 4.24 2dh4B1 ASP 80 HB2 -0.02 0.10 0.15 -0.04 2.71 2.91 2dh4B1 ASP 80 HB3 -0.01 0.04 0.19 -0.04 2.70 2.87 2dh4B1 ASP 81 H -0.01 0.60 -0.21 -0.55 8.40 8.22 2dh4B1 ASP 81 HA 0.00 0.00 0.38 -0.75 4.63 4.27 2dh4B1 ASP 81 HB2 0.06 0.10 0.11 -0.04 2.71 2.94 2dh4B1 ASP 81 HB3 0.16 0.00 0.00 -0.04 2.70 2.83 2dh4B1 ILE 82 H -0.15 0.37 -0.34 -0.55 8.25 7.58 2dh4B1 ILE 82 HA -0.67 0.03 0.57 -0.75 4.18 3.36 2dh4B1 ILE 82 HB -0.12 0.21 0.20 -0.04 1.89 2.14 2dh4B1 ILE 82 HG12 -0.33 -0.08 0.04 -0.04 1.49 1.08 2dh4B1 ILE 82 HG13 -0.29 0.03 0.04 -0.04 1.21 0.95 2dh4B1 ILE 82 HG23 -0.10 -0.01 -0.08 -0.04 0.93 0.70 2dh4B1 ILE 82 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.76 2dh4B1 GLU 83 H -0.07 0.50 -0.07 -0.55 8.60 8.42 2dh4B1 GLU 83 HA -0.04 0.04 0.43 -0.75 4.29 3.96 2dh4B1 GLU 83 HB2 -0.02 0.05 0.17 -0.04 2.09 2.25 2dh4B1 GLU 83 HB3 -0.01 -0.03 0.05 -0.04 1.99 1.96 2dh4B1 GLU 83 HG2 -0.00 -0.03 0.02 -0.04 2.34 2.29 2dh4B1 GLU 83 HG3 -0.02 0.06 0.04 -0.04 2.34 2.37 2dh4B1 ASP 84 H -0.04 0.28 -0.36 -0.55 8.40 7.73 2dh4B1 ASP 84 HA -0.00 0.22 0.78 -0.75 4.63 4.87 2dh4B1 ASP 84 HB2 0.00 -0.06 -0.02 -0.04 2.71 2.59 2dh4B1 ASP 84 HB3 0.01 -0.06 0.07 -0.04 2.70 2.68 2dh4B1 ASN 85 H -0.06 0.25 -0.46 -0.55 8.53 7.72 2dh4B1 ASN 85 HA 0.01 -0.00 0.31 -0.75 4.76 4.33 2dh4B1 ASN 85 HB2 -0.01 0.03 -0.19 -0.04 2.88 2.67 2dh4B1 ASN 85 HB3 0.00 0.15 0.02 -0.04 2.79 2.93 2dh4B1 ASN 85 HD21 0.01 -0.07 0.03 -0.04 7.03 6.95 2dh4B1 ASN 85 HD22 0.00 0.08 0.03 -0.04 7.74 7.80 2dh4B1 ALA 86 H 0.05 0.36 -0.07 -0.55 8.40 8.20 2dh4B1 ALA 86 HA 0.02 0.15 0.56 -0.75 4.34 4.32 2dh4B1 ALA 86 HB3 0.04 -0.02 0.04 -0.04 1.41 1.44 2dh4B1 PRO 87 HA -0.06 0.11 0.64 -0.51 4.44 4.62 2dh4B1 PRO 87 HB2 -0.10 -0.02 0.03 -0.04 2.28 2.15 2dh4B1 PRO 87 HB3 -0.07 0.08 0.08 -0.04 2.02 2.07 2dh4B1 PRO 87 HG2 -0.18 -0.04 0.06 -0.04 2.03 1.84 2dh4B1 PRO 87 HG3 -0.14 0.05 0.08 -0.04 2.03 1.98 2dh4B1 PRO 87 HD2 -0.06 0.01 0.26 -0.04 3.68 3.86 2dh4B1 PRO 87 HD3 -0.04 0.35 0.27 -0.04 3.65 4.19 2dh4B1 LEU 88 H -0.05 0.18 -0.01 -0.55 8.37 7.94 2dh4B1 LEU 88 HA -0.02 0.40 0.87 -0.75 4.35 4.85 2dh4B1 LEU 88 HB2 -0.09 -0.08 -0.08 -0.04 1.64 1.35 2dh4B1 LEU 88 HB3 -0.03 -0.05 -0.22 -0.04 1.64 1.30 2dh4B1 LEU 88 HG -0.18 -0.10 -0.41 -0.04 1.64 0.91 2dh4B1 LEU 88 HD13 -0.30 -0.00 -0.12 -0.04 0.93 0.46 2dh4B1 LEU 88 HD23 -0.06 0.09 -0.34 -0.04 0.89 0.54 2dh4B1 ARG 89 H 0.03 0.83 0.03 -0.55 8.46 8.79 2dh4B1 ARG 89 HA 0.04 0.06 0.66 -0.75 4.34 4.34 2dh4B1 ARG 89 HB2 0.05 0.03 -0.07 -0.04 1.90 1.87 2dh4B1 ARG 89 HB3 0.06 0.02 -0.04 -0.04 1.80 1.80 2dh4B1 ARG 89 HG2 0.03 -0.02 -0.05 -0.04 1.67 1.59 2dh4B1 ARG 89 HG3 0.03 0.05 -0.20 -0.04 1.67 1.50 2dh4B1 ARG 89 HD2 0.02 0.04 -0.05 -0.04 3.22 3.19 2dh4B1 ARG 89 HD3 0.04 -0.06 -0.02 -0.04 3.22 3.15 2dh4B1 ARG 90 H 0.05 0.14 0.06 -0.55 8.46 8.16 2dh4B1 ARG 90 HA 0.05 0.03 0.36 -0.75 4.34 4.03 2dh4B1 ARG 90 HB2 0.03 0.13 -0.40 -0.04 1.90 1.62 2dh4B1 ARG 90 HB3 0.03 0.04 0.32 -0.04 1.80 2.14 2dh4B1 ARG 90 HG2 0.05 0.12 0.03 -0.04 1.67 1.83 2dh4B1 ARG 90 HG3 0.05 -0.01 0.07 -0.04 1.67 1.74 2dh4B1 ARG 90 HD2 0.06 -0.14 0.07 -0.04 3.22 3.16 2dh4B1 ARG 90 HD3 0.06 0.03 -0.05 -0.04 3.22 3.22 2dh4B1 GLY 91 H 0.06 0.03 -0.12 -0.55 8.43 7.85 2dh4B1 GLY 91 HA2 0.07 -0.02 0.25 -0.51 4.01 3.80 2dh4B1 GLY 91 HA3 0.05 0.09 0.26 -0.51 4.01 3.90 2dh4B1 GLN 92 H 0.03 0.34 -0.95 -0.55 8.47 7.35 2dh4B1 GLN 92 HA 0.03 0.21 1.06 -0.75 4.36 4.91 2dh4B1 GLN 92 HB2 0.01 0.15 0.02 -0.04 2.15 2.28 2dh4B1 GLN 92 HB3 0.06 0.07 -0.10 -0.04 2.02 2.02 2dh4B1 GLN 92 HG2 0.01 0.02 0.02 -0.04 2.40 2.40 2dh4B1 GLN 92 HG3 0.05 -0.13 0.14 -0.04 2.39 2.41 2dh4B1 GLN 92 HE21 0.00 -0.03 -0.00 -0.04 6.97 6.90 2dh4B1 GLN 92 HE22 -0.01 -0.02 0.00 -0.04 7.69 7.62 2dh4B1 THR 93 H 0.06 0.11 0.12 -0.55 8.28 8.02 2dh4B1 THR 93 HA -0.03 0.24 0.52 -0.75 4.39 4.38 2dh4B1 THR 93 HB -0.00 -0.04 0.07 -0.04 4.32 4.31 2dh4B1 THR 93 HG23 -0.12 0.05 -0.06 -0.04 1.22 1.06 2dh4B1 THR 94 H -0.05 0.46 0.11 -0.55 8.28 8.25 2dh4B1 THR 94 HA 0.09 0.08 0.37 -0.75 4.39 4.18 2dh4B1 THR 94 HB 0.16 -0.15 -0.04 -0.04 4.32 4.25 2dh4B1 THR 94 HG23 0.08 0.01 -0.39 -0.04 1.22 0.88 2dh4B1 SER 95 H 0.15 0.19 0.13 -0.55 8.46 8.38 2dh4B1 SER 95 HA -0.09 0.12 0.38 -0.75 4.49 4.14 2dh4B1 SER 95 HB2 0.17 -0.00 0.13 -0.04 3.95 4.21 2dh4B1 SER 95 HB3 0.27 -0.07 0.06 -0.04 3.93 4.16 2dh4B1 HIS 96 H 0.25 0.18 -0.23 -0.55 8.41 8.06 2dh4B1 HIS 96 HA 0.07 0.14 0.07 -0.75 4.63 4.15 2dh4B1 HIS 96 HB2 0.02 -0.06 -0.12 -0.04 3.26 3.07 2dh4B1 HIS 96 HB3 0.03 0.03 -0.01 -0.04 3.20 3.21 2dh4B1 HIS 96 HD2 -0.00 -0.05 -0.20 -0.04 6.97 6.68 2dh4B1 HIS 96 HE1 -0.00 0.31 -0.09 -0.04 7.75 7.92 2dh4B1 LEU 97 H -0.46 0.29 -0.55 -0.55 8.37 7.10 2dh4B1 LEU 97 HA -0.19 0.09 0.54 -0.75 4.35 4.03 2dh4B1 LEU 97 HB2 -0.28 0.18 0.02 -0.04 1.64 1.52 2dh4B1 LEU 97 HB3 -0.19 -0.02 0.04 -0.04 1.64 1.43 2dh4B1 LEU 97 HG -0.74 -0.02 -0.05 -0.04 1.64 0.79 2dh4B1 LEU 97 HD13 -0.14 0.02 0.06 -0.04 0.93 0.82 2dh4B1 LEU 97 HD23 -0.13 0.00 -0.07 -0.04 0.89 0.65 2dh4B1 ILE 98 H -0.24 0.32 -0.21 -0.55 8.25 7.57 2dh4B1 ILE 98 HA -0.30 0.18 0.82 -0.75 4.18 4.12 2dh4B1 ILE 98 HB -0.88 0.00 0.09 -0.04 1.89 1.05 2dh4B1 ILE 98 HG12 -0.31 -0.02 -0.05 -0.04 1.49 1.06 2dh4B1 ILE 98 HG13 -0.31 -0.03 -0.21 -0.04 1.21 0.62 2dh4B1 ILE 98 HG23 -0.96 -0.01 -0.14 -0.04 0.93 -0.23 2dh4B1 ILE 98 HD13 -0.52 -0.01 -0.11 -0.04 0.88 0.20 2dh4B1 PHE 99 H -0.07 0.68 0.18 -0.55 8.34 8.58 2dh4B1 PHE 99 HA -0.03 0.23 0.94 -0.75 4.62 5.01 2dh4B1 PHE 99 HB2 -0.00 0.00 0.01 -0.04 3.15 3.11 2dh4B1 PHE 99 HB3 0.00 -0.04 0.11 -0.04 3.06 3.09 2dh4B1 PHE 99 HD2 -0.05 0.03 0.02 -0.04 7.28 7.24 2dh4B1 PHE 99 HE2 -0.12 0.00 -0.04 -0.04 7.38 7.18 2dh4B1 PHE 99 HZ 0.03 0.02 -0.08 -0.04 7.32 7.25 2dh4B1 GLY 100 H 0.02 0.20 -0.37 -0.55 8.43 7.73 2dh4B1 GLY 100 HA2 0.04 0.11 0.36 -0.51 4.01 4.01 2dh4B1 GLY 100 HA3 0.06 0.09 0.70 -0.51 4.01 4.35 2dh4B1 VAL 101 H 0.07 0.18 0.17 -0.55 8.24 8.12 2dh4B1 VAL 101 HA 0.10 0.02 0.55 -0.75 4.13 4.05 2dh4B1 VAL 101 HB 0.05 0.03 0.16 -0.04 2.12 2.31 2dh4B1 VAL 101 HG13 0.01 0.00 -0.09 -0.04 0.97 0.85 2dh4B1 VAL 101 HG23 0.07 0.03 0.06 -0.04 0.95 1.07 2dh4B1 PRO 102 HA 0.04 0.08 0.40 -0.51 4.44 4.45 2dh4B1 PRO 102 HB2 0.04 0.04 0.05 -0.04 2.28 2.36 2dh4B1 PRO 102 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 2dh4B1 PRO 102 HG2 0.03 0.08 0.07 -0.04 2.03 2.16 2dh4B1 PRO 102 HG3 0.03 0.06 0.05 -0.04 2.03 2.13 2dh4B1 PRO 102 HD2 0.05 0.11 0.06 -0.04 3.68 3.86 2dh4B1 PRO 102 HD3 0.04 0.06 0.18 -0.04 3.65 3.89 2dh4B1 SER 103 H 0.07 0.25 -0.16 -0.55 8.46 8.06 2dh4B1 SER 103 HA 0.04 0.03 0.47 -0.75 4.49 4.29 2dh4B1 SER 103 HB2 0.12 0.23 0.04 -0.04 3.95 4.30 2dh4B1 SER 103 HB3 0.05 -0.02 0.01 -0.04 3.93 3.94 2dh4B1 THR 104 H 0.09 0.44 -0.39 -0.55 8.28 7.88 2dh4B1 THR 104 HA 0.06 0.01 0.29 -0.75 4.39 4.00 2dh4B1 THR 104 HB 0.10 0.08 0.07 -0.04 4.32 4.53 2dh4B1 THR 104 HG23 0.10 -0.03 -0.12 -0.04 1.22 1.13 2dh4B1 ILE 105 H 0.05 0.63 -0.04 -0.55 8.25 8.34 2dh4B1 ILE 105 HA 0.02 0.02 0.45 -0.75 4.18 3.91 2dh4B1 ILE 105 HB 0.03 0.10 0.15 -0.04 1.89 2.14 2dh4B1 ILE 105 HG12 0.01 -0.03 0.05 -0.04 1.49 1.48 2dh4B1 ILE 105 HG13 0.02 0.08 0.10 -0.04 1.21 1.37 2dh4B1 ILE 105 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 2dh4B1 ILE 105 HD13 0.02 -0.01 -0.04 -0.04 0.88 0.80 2dh4B1 ASN 106 H 0.04 0.52 -0.14 -0.55 8.53 8.41 2dh4B1 ASN 106 HA 0.06 0.02 0.38 -0.75 4.76 4.46 2dh4B1 ASN 106 HB2 0.03 0.01 0.11 -0.04 2.88 2.99 2dh4B1 ASN 106 HB3 0.03 0.08 0.16 -0.04 2.79 3.02 2dh4B1 ASN 106 HD21 -0.00 -0.01 0.00 -0.04 7.03 6.97 2dh4B1 ASN 106 HD22 0.03 -0.00 0.03 -0.04 7.74 7.76 2dh4B1 THR 107 H 0.04 0.63 -0.13 -0.55 8.28 8.27 2dh4B1 THR 107 HA 0.12 0.01 0.45 -0.75 4.39 4.21 2dh4B1 THR 107 HB 0.04 0.02 0.15 -0.04 4.32 4.49 2dh4B1 THR 107 HG23 0.11 -0.07 -0.06 -0.04 1.22 1.15 2dh4B1 ALA 108 H 0.02 0.63 -0.14 -0.55 8.40 8.36 2dh4B1 ALA 108 HA -0.05 -0.01 0.43 -0.75 4.34 3.96 2dh4B1 ALA 108 HB3 -0.11 0.02 0.14 -0.04 1.41 1.41 2dh4B1 ASN 109 H -0.00 0.63 -0.09 -0.55 8.53 8.52 2dh4B1 ASN 109 HA -0.05 -0.01 0.39 -0.75 4.76 4.33 2dh4B1 ASN 109 HB2 0.13 0.13 0.15 -0.04 2.88 3.25 2dh4B1 ASN 109 HB3 0.28 -0.06 -0.00 -0.04 2.79 2.96 2dh4B1 ASN 109 HD21 0.12 -0.03 -0.01 -0.04 7.03 7.06 2dh4B1 ASN 109 HD22 0.12 -0.02 -0.03 -0.04 7.74 7.78 2dh4B1 TYR 110 H 0.19 0.69 -0.12 -0.55 8.29 8.50 2dh4B1 TYR 110 HA 0.16 -0.03 0.42 -0.75 4.56 4.36 2dh4B1 TYR 110 HB2 0.00 0.03 0.12 -0.04 3.06 3.18 2dh4B1 TYR 110 HB3 -0.01 0.16 0.21 -0.04 2.98 3.30 2dh4B1 TYR 110 HD2 -0.05 0.03 -0.02 -0.04 7.15 7.08 2dh4B1 TYR 110 HE2 -0.08 -0.00 -0.06 -0.04 6.85 6.67 2dh4B1 MET 111 H -0.03 0.63 -0.20 -0.55 8.47 8.33 2dh4B1 MET 111 HA -0.36 -0.05 0.46 -0.75 4.52 3.82 2dh4B1 MET 111 HB2 -0.17 0.17 0.19 -0.04 2.15 2.30 2dh4B1 MET 111 HB3 -0.27 -0.07 0.09 -0.04 2.03 1.73 2dh4B1 MET 111 HG2 -0.09 0.29 0.12 -0.04 2.63 2.91 2dh4B1 MET 111 HG3 -0.63 -0.06 0.03 -0.04 2.56 1.87 2dh4B1 MET 111 HE3 -0.06 0.00 -0.01 -0.04 2.10 1.99 2dh4B1 TYR 112 H -0.12 0.45 -0.21 -0.55 8.29 7.86 2dh4B1 TYR 112 HA -0.08 0.02 0.43 -0.75 4.56 4.18 2dh4B1 TYR 112 HB2 -0.35 0.22 0.18 -0.04 3.06 3.07 2dh4B1 TYR 112 HB3 -0.36 -0.06 -0.01 -0.04 2.98 2.50 2dh4B1 TYR 112 HD2 -0.07 -0.02 0.02 -0.04 7.15 7.04 2dh4B1 TYR 112 HE2 0.04 0.02 -0.02 -0.04 6.85 6.84 2dh4B1 PHE 113 H -0.02 0.46 -0.19 -0.55 8.34 8.04 2dh4B1 PHE 113 HA 0.04 0.01 0.52 -0.75 4.62 4.44 2dh4B1 PHE 113 HB2 -0.06 0.16 0.16 -0.04 3.15 3.37 2dh4B1 PHE 113 HB3 -0.05 -0.05 0.04 -0.04 3.06 2.96 2dh4B1 PHE 113 HD2 0.05 0.06 0.01 -0.04 7.28 7.35 2dh4B1 PHE 113 HE2 0.06 -0.02 -0.03 -0.04 7.38 7.35 2dh4B1 PHE 113 HZ 0.03 -0.02 -0.03 -0.04 7.32 7.27 2dh4B1 ARG 114 H -0.18 0.40 -0.12 -0.55 8.46 8.00 2dh4B1 ARG 114 HA -0.15 0.02 0.48 -0.75 4.34 3.94 2dh4B1 ARG 114 HB2 -0.27 0.10 0.16 -0.04 1.90 1.85 2dh4B1 ARG 114 HB3 -0.20 -0.04 0.02 -0.04 1.80 1.54 2dh4B1 ARG 114 HG2 -0.94 0.21 0.00 -0.04 1.67 0.90 2dh4B1 ARG 114 HG3 -0.73 -0.03 -0.05 -0.04 1.67 0.82 2dh4B1 ARG 114 HD2 -0.22 -0.02 0.02 -0.04 3.22 2.96 2dh4B1 ARG 114 HD3 -0.49 -0.01 -0.04 -0.04 3.22 2.63 2dh4B1 ALA 115 H -0.04 0.63 -0.21 -0.55 8.40 8.24 2dh4B1 ALA 115 HA -0.01 0.01 0.44 -0.75 4.34 4.02 2dh4B1 ALA 115 HB3 0.16 0.04 0.12 -0.04 1.41 1.69 2dh4B1 MET 116 H -0.03 0.52 -0.10 -0.55 8.47 8.30 2dh4B1 MET 116 HA -1.08 -0.01 0.44 -0.75 4.52 3.11 2dh4B1 MET 116 HB2 -0.12 0.06 0.13 -0.04 2.15 2.17 2dh4B1 MET 116 HB3 -0.03 0.15 0.15 -0.04 2.03 2.25 2dh4B1 MET 116 HG2 -0.21 -0.03 -0.10 -0.04 2.63 2.25 2dh4B1 MET 116 HG3 -0.50 -0.04 0.04 -0.04 2.56 2.03 2dh4B1 MET 116 HE3 0.03 -0.01 -0.03 -0.04 2.10 2.05 2dh4B1 GLN 117 H -0.07 0.45 -0.34 -0.55 8.47 7.96 2dh4B1 GLN 117 HA -0.04 -0.02 0.42 -0.75 4.36 3.96 2dh4B1 GLN 117 HB2 -0.03 0.09 0.15 -0.04 2.15 2.32 2dh4B1 GLN 117 HB3 -0.05 0.15 0.15 -0.04 2.02 2.23 2dh4B1 GLN 117 HG2 -0.03 -0.02 -0.07 -0.04 2.40 2.25 2dh4B1 GLN 117 HG3 -0.03 -0.04 0.05 -0.04 2.39 2.33 2dh4B1 GLN 117 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.87 2dh4B1 GLN 117 HE22 -0.02 -0.02 -0.00 -0.04 7.69 7.61 2dh4B1 LEU 118 H -0.07 0.42 -0.23 -0.55 8.37 7.94 2dh4B1 LEU 118 HA -0.02 0.01 0.35 -0.75 4.35 3.93 2dh4B1 LEU 118 HB2 -0.03 0.16 0.12 -0.04 1.64 1.85 2dh4B1 LEU 118 HB3 -0.01 -0.06 0.02 -0.04 1.64 1.54 2dh4B1 LEU 118 HG -0.04 0.16 0.04 -0.04 1.64 1.76 2dh4B1 LEU 118 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.77 2dh4B1 LEU 118 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.79 2dh4B1 VAL 119 H -0.13 0.42 -0.36 -0.55 8.24 7.62 2dh4B1 VAL 119 HA -0.03 0.01 0.42 -0.75 4.13 3.77 2dh4B1 VAL 119 HB -0.21 0.24 0.15 -0.04 2.12 2.26 2dh4B1 VAL 119 HG13 -0.13 -0.03 -0.18 -0.04 0.97 0.58 2dh4B1 VAL 119 HG23 -0.34 0.03 0.05 -0.04 0.95 0.65 2dh4B1 SER 120 H 0.04 0.37 -0.18 -0.55 8.46 8.14 2dh4B1 SER 120 HA 0.29 0.02 0.41 -0.75 4.49 4.45 2dh4B1 SER 120 HB2 -0.16 -0.04 0.15 -0.04 3.95 3.85 2dh4B1 SER 120 HB3 0.09 -0.04 0.11 -0.04 3.93 4.05 2dh4B1 GLN 121 H 0.01 0.47 -0.74 -0.55 8.47 7.67 2dh4B1 GLN 121 HA -0.01 0.14 0.81 -0.75 4.36 4.55 2dh4B1 GLN 121 HB2 -0.00 0.17 0.11 -0.04 2.15 2.38 2dh4B1 GLN 121 HB3 -0.00 -0.09 0.12 -0.04 2.02 2.01 2dh4B1 GLN 121 HG2 -0.01 -0.05 -0.02 -0.04 2.40 2.27 2dh4B1 GLN 121 HG3 -0.02 -0.01 -0.23 -0.04 2.39 2.10 2dh4B1 GLN 121 HE21 -0.00 -0.04 -0.03 -0.04 6.97 6.85 2dh4B1 GLN 121 HE22 -0.00 -0.03 -0.01 -0.04 7.69 7.61 2dh4B1 LEU 122 H 0.05 0.55 -0.16 -0.55 8.37 8.25 2dh4B1 LEU 122 HA 0.02 0.04 0.61 -0.75 4.35 4.27 2dh4B1 LEU 122 HB2 0.05 0.14 0.14 -0.04 1.64 1.93 2dh4B1 LEU 122 HB3 0.03 -0.06 0.05 -0.04 1.64 1.62 2dh4B1 LEU 122 HG 0.01 0.11 0.03 -0.04 1.64 1.76 2dh4B1 LEU 122 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 2dh4B1 LEU 122 HD23 0.02 -0.04 -0.02 -0.04 0.89 0.81 2dh4B1 THR 123 H 0.06 0.38 -0.16 -0.55 8.28 8.01 2dh4B1 THR 123 HA 0.03 0.11 0.50 -0.75 4.39 4.27 2dh4B1 THR 123 HB 0.05 0.19 -0.23 -0.04 4.32 4.29 2dh4B1 THR 123 HG23 0.12 -0.01 -0.31 -0.04 1.22 0.99 2dh4B1 THR 124 H 0.02 0.07 0.17 -0.55 8.28 7.99 2dh4B1 THR 124 HA -0.04 0.31 0.92 -0.75 4.39 4.82 2dh4B1 THR 124 HB -0.03 -0.01 0.14 -0.04 4.32 4.39 2dh4B1 THR 124 HG23 -0.02 0.02 -0.10 -0.04 1.22 1.08 2dh4B1 LYS 125 H 0.03 0.01 0.08 -0.55 8.42 8.00 2dh4B1 LYS 125 HA 0.02 0.10 0.59 -0.75 4.32 4.28 2dh4B1 LYS 125 HB2 0.05 -0.03 0.19 -0.04 1.87 2.04 2dh4B1 LYS 125 HB3 0.04 -0.00 0.10 -0.04 1.79 1.89 2dh4B1 LYS 125 HG2 0.02 0.03 0.07 -0.04 1.46 1.54 2dh4B1 LYS 125 HG3 0.03 -0.01 0.13 -0.04 1.46 1.57 2dh4B1 LYS 125 HD2 0.03 -0.00 0.06 -0.04 1.69 1.73 2dh4B1 LYS 125 HD3 0.02 0.06 0.06 -0.04 1.68 1.78 2dh4B1 LYS 125 HE2 0.03 0.10 0.06 -0.04 2.99 3.14 2dh4B1 LYS 125 HE3 0.04 -0.17 0.07 -0.04 2.99 2.89 2dh4B1 GLU 126 H 0.03 0.18 0.24 -0.55 8.60 8.51 2dh4B1 GLU 126 HA 0.09 0.09 0.31 -0.75 4.29 4.02 2dh4B1 GLU 126 HB2 0.04 -0.00 0.11 -0.04 2.09 2.20 2dh4B1 GLU 126 HB3 0.07 -0.00 0.01 -0.04 1.99 2.03 2dh4B1 GLU 126 HG2 -0.00 0.06 0.15 -0.04 2.34 2.51 2dh4B1 GLU 126 HG3 0.01 -0.00 0.06 -0.04 2.34 2.37 2dh4B1 PRO 127 HA 0.10 0.12 0.60 -0.51 4.44 4.75 2dh4B1 PRO 127 HB2 0.05 0.03 0.06 -0.04 2.28 2.37 2dh4B1 PRO 127 HB3 0.04 0.07 0.06 -0.04 2.02 2.15 2dh4B1 PRO 127 HG2 0.04 0.08 0.05 -0.04 2.03 2.15 2dh4B1 PRO 127 HG3 0.05 0.06 0.01 -0.04 2.03 2.11 2dh4B1 PRO 127 HD2 0.05 0.04 0.01 -0.04 3.68 3.74 2dh4B1 PRO 127 HD3 0.05 0.06 0.12 -0.04 3.65 3.85 2dh4B1 LEU 128 H 0.07 0.12 -0.12 -0.55 8.37 7.90 2dh4B1 LEU 128 HA 0.05 0.09 0.39 -0.75 4.35 4.13 2dh4B1 LEU 128 HB2 0.05 0.01 0.10 -0.04 1.64 1.76 2dh4B1 LEU 128 HB3 0.07 -0.01 0.09 -0.04 1.64 1.75 2dh4B1 LEU 128 HG 0.05 -0.03 -0.21 -0.04 1.64 1.41 2dh4B1 LEU 128 HD13 0.04 0.01 -0.05 -0.04 0.93 0.88 2dh4B1 LEU 128 HD23 0.04 0.01 -0.00 -0.04 0.89 0.89 2dh4B1 TYR 129 H 0.19 0.58 -0.24 -0.55 8.29 8.27 2dh4B1 TYR 129 HA 0.01 0.04 0.26 -0.75 4.56 4.12 2dh4B1 TYR 129 HB2 -0.00 0.06 -0.11 -0.04 3.06 2.97 2dh4B1 TYR 129 HB3 0.01 0.03 0.02 -0.04 2.98 3.00 2dh4B1 TYR 129 HD2 -0.04 0.05 -0.11 -0.04 7.15 7.02 2dh4B1 TYR 129 HE2 -0.09 -0.02 -0.10 -0.04 6.85 6.59 2dh4B1 HIS 130 H 0.23 0.44 -0.26 -0.55 8.41 8.28 2dh4B1 HIS 130 HA -0.19 -0.00 0.41 -0.75 4.63 4.09 2dh4B1 HIS 130 HB2 0.07 0.11 0.18 -0.04 3.26 3.58 2dh4B1 HIS 130 HB3 0.01 0.08 0.09 -0.04 3.20 3.34 2dh4B1 HIS 130 HD2 0.04 0.01 0.02 -0.04 6.97 6.99 2dh4B1 HIS 130 HE1 -0.00 -0.01 -0.01 -0.04 7.75 7.68 2dh4B1 ASN 131 H 0.06 0.44 -0.24 -0.55 8.53 8.25 2dh4B1 ASN 131 HA 0.00 -0.02 0.45 -0.75 4.76 4.45 2dh4B1 ASN 131 HB2 0.02 0.15 0.13 -0.04 2.88 3.13 2dh4B1 ASN 131 HB3 0.01 -0.05 0.05 -0.04 2.79 2.75 2dh4B1 ASN 131 HD21 0.01 -0.06 -0.06 -0.04 7.03 6.88 2dh4B1 ASN 131 HD22 0.02 0.03 -0.01 -0.04 7.74 7.74 2dh4B1 LEU 132 H -0.06 0.58 -0.13 -0.55 8.37 8.21 2dh4B1 LEU 132 HA -0.01 0.02 0.48 -0.75 4.35 4.08 2dh4B1 LEU 132 HB2 -0.16 0.10 0.11 -0.04 1.64 1.65 2dh4B1 LEU 132 HB3 -0.05 -0.06 0.03 -0.04 1.64 1.53 2dh4B1 LEU 132 HG 0.00 0.25 -0.06 -0.04 1.64 1.79 2dh4B1 LEU 132 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.82 2dh4B1 LEU 132 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.81 2dh4B1 ILE 133 H -0.30 0.62 -0.07 -0.55 8.25 7.95 2dh4B1 ILE 133 HA -0.15 0.03 0.47 -0.75 4.18 3.78 2dh4B1 ILE 133 HB -0.32 0.14 0.16 -0.04 1.89 1.83 2dh4B1 ILE 133 HG12 -0.99 0.09 -0.00 -0.04 1.49 0.55 2dh4B1 ILE 133 HG13 -0.51 -0.02 -0.01 -0.04 1.21 0.62 2dh4B1 ILE 133 HG23 -0.09 -0.02 -0.09 -0.04 0.93 0.69 2dh4B1 ILE 133 HD13 -0.24 -0.01 0.02 -0.04 0.88 0.61 2dh4B1 THR 134 H 0.02 0.58 -0.16 -0.55 8.28 8.17 2dh4B1 THR 134 HA 0.05 -0.03 0.41 -0.75 4.39 4.08 2dh4B1 THR 134 HB 0.02 0.17 0.16 -0.04 4.32 4.63 2dh4B1 THR 134 HG23 0.01 -0.03 -0.07 -0.04 1.22 1.09 2dh4B1 ILE 135 H 0.02 0.48 -0.29 -0.55 8.25 7.91 2dh4B1 ILE 135 HA 0.02 -0.02 0.42 -0.75 4.18 3.85 2dh4B1 ILE 135 HB 0.04 0.18 0.19 -0.04 1.89 2.26 2dh4B1 ILE 135 HG12 0.02 -0.09 -0.01 -0.04 1.49 1.37 2dh4B1 ILE 135 HG13 0.02 0.06 0.05 -0.04 1.21 1.29 2dh4B1 ILE 135 HG23 0.03 -0.03 -0.13 -0.04 0.93 0.76 2dh4B1 ILE 135 HD13 0.02 -0.02 -0.20 -0.04 0.88 0.64 2dh4B1 PHE 136 H 0.15 0.56 -0.11 -0.55 8.34 8.39 2dh4B1 PHE 136 HA -0.05 -0.01 0.37 -0.75 4.62 4.17 2dh4B1 PHE 136 HB2 -0.06 0.08 0.15 -0.04 3.15 3.28 2dh4B1 PHE 136 HB3 -0.07 0.12 0.25 -0.04 3.06 3.32 2dh4B1 PHE 136 HD2 -0.06 0.02 -0.08 -0.04 7.28 7.11 2dh4B1 PHE 136 HE2 -0.10 -0.01 -0.09 -0.04 7.38 7.14 2dh4B1 PHE 136 HZ -0.14 0.13 0.02 -0.04 7.32 7.29 2dh4B1 ASN 137 H 0.15 0.71 -0.10 -0.55 8.53 8.75 2dh4B1 ASN 137 HA -0.01 -0.01 0.34 -0.75 4.76 4.33 2dh4B1 ASN 137 HB2 0.09 0.15 0.13 -0.04 2.88 3.21 2dh4B1 ASN 137 HB3 0.04 0.03 0.14 -0.04 2.79 2.95 2dh4B1 ASN 137 HD21 0.03 -0.03 -0.02 -0.04 7.03 6.98 2dh4B1 ASN 137 HD22 0.04 0.02 -0.02 -0.04 7.74 7.74 2dh4B1 GLU 138 H 0.00 0.67 -0.04 -0.55 8.60 8.69 2dh4B1 GLU 138 HA -0.03 -0.02 0.39 -0.75 4.29 3.88 2dh4B1 GLU 138 HB2 -0.01 0.14 0.19 -0.04 2.09 2.38 2dh4B1 GLU 138 HB3 -0.02 -0.08 -0.01 -0.04 1.99 1.84 2dh4B1 GLU 138 HG2 -0.01 -0.09 0.05 -0.04 2.34 2.26 2dh4B1 GLU 138 HG3 0.01 0.17 0.14 -0.04 2.34 2.62 2dh4B1 GLU 139 H -0.06 0.69 -0.08 -0.55 8.60 8.60 2dh4B1 GLU 139 HA -0.05 0.01 0.59 -0.75 4.29 4.08 2dh4B1 GLU 139 HB2 -0.09 0.11 0.11 -0.04 2.09 2.17 2dh4B1 GLU 139 HB3 -0.07 0.06 0.10 -0.04 1.99 2.03 2dh4B1 GLU 139 HG2 -0.02 0.12 0.05 -0.04 2.34 2.44 2dh4B1 GLU 139 HG3 -0.02 -0.06 -0.12 -0.04 2.34 2.10 2dh4B1 LEU 140 H -0.21 0.56 -0.16 -0.55 8.37 8.01 2dh4B1 LEU 140 HA -0.18 0.01 0.59 -0.75 4.35 4.01 2dh4B1 LEU 140 HB2 -0.40 0.17 0.16 -0.04 1.64 1.53 2dh4B1 LEU 140 HB3 -0.32 -0.06 0.02 -0.04 1.64 1.24 2dh4B1 LEU 140 HG -0.54 0.00 0.01 -0.04 1.64 1.07 2dh4B1 LEU 140 HD13 -1.23 0.00 -0.02 -0.04 0.93 -0.36 2dh4B1 LEU 140 HD23 -0.45 -0.02 0.03 -0.04 0.89 0.40 2dh4B1 ILE 141 H -0.09 0.64 -0.06 -0.55 8.25 8.19 2dh4B1 ILE 141 HA -0.05 -0.00 0.46 -0.75 4.18 3.84 2dh4B1 ILE 141 HB -0.04 0.15 0.20 -0.04 1.89 2.16 2dh4B1 ILE 141 HG12 -0.06 -0.06 0.04 -0.04 1.49 1.37 2dh4B1 ILE 141 HG13 -0.07 0.07 0.07 -0.04 1.21 1.24 2dh4B1 ILE 141 HG23 -0.03 -0.03 -0.13 -0.04 0.93 0.70 2dh4B1 ILE 141 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 2dh4B1 ASN 142 H -0.05 0.49 -0.20 -0.55 8.53 8.23 2dh4B1 ASN 142 HA -0.04 -0.04 0.43 -0.75 4.76 4.37 2dh4B1 ASN 142 HB2 -0.04 0.11 0.23 -0.04 2.88 3.13 2dh4B1 ASN 142 HB3 -0.04 -0.02 0.09 -0.04 2.79 2.78 2dh4B1 ASN 142 HD21 -0.02 -0.06 -0.05 -0.04 7.03 6.86 2dh4B1 ASN 142 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.65 2dh4B1 LEU 143 H -0.07 0.56 -0.09 -0.55 8.37 8.23 2dh4B1 LEU 143 HA -0.09 0.14 0.49 -0.75 4.35 4.14 2dh4B1 LEU 143 HB2 -0.11 -0.04 0.17 -0.04 1.64 1.62 2dh4B1 LEU 143 HB3 -0.15 0.07 0.23 -0.04 1.64 1.75 2dh4B1 LEU 143 HG -0.36 -0.04 -0.30 -0.04 1.64 0.90 2dh4B1 LEU 143 HD13 -0.10 -0.04 0.15 -0.04 0.93 0.90 2dh4B1 LEU 143 HD23 -0.19 -0.02 0.01 -0.04 0.89 0.65 2dh4B1 HIS 144 H 0.06 0.63 -0.16 -0.55 8.41 8.39 2dh4B1 HIS 144 HA -0.06 0.02 0.55 -0.75 4.63 4.38 2dh4B1 HIS 144 HB2 -0.09 0.13 0.14 -0.04 3.26 3.40 2dh4B1 HIS 144 HB3 -0.06 -0.06 0.02 -0.04 3.20 3.07 2dh4B1 HIS 144 HD2 -0.02 -0.02 0.01 -0.04 6.97 6.89 2dh4B1 HIS 144 HE1 -0.57 -0.02 -0.02 -0.04 7.75 7.10 2dh4B1 ARG 145 H -0.00 0.58 -0.12 -0.55 8.46 8.36 2dh4B1 ARG 145 HA -0.05 0.02 0.52 -0.75 4.34 4.08 2dh4B1 ARG 145 HB2 -0.05 0.12 0.21 -0.04 1.90 2.14 2dh4B1 ARG 145 HB3 -0.07 -0.06 -0.00 -0.04 1.80 1.63 2dh4B1 ARG 145 HG2 -0.04 -0.06 0.04 -0.04 1.67 1.57 2dh4B1 ARG 145 HG3 -0.02 0.20 0.07 -0.04 1.67 1.88 2dh4B1 ARG 145 HD2 -0.03 0.00 -0.07 -0.04 3.22 3.08 2dh4B1 ARG 145 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.08 2dh4B1 GLY 146 H -0.08 0.63 -0.12 -0.55 8.43 8.32 2dh4B1 GLY 146 HA2 -0.16 -0.01 0.47 -0.51 4.01 3.80 2dh4B1 GLY 146 HA3 -0.11 0.00 0.41 -0.51 4.01 3.80 2dh4B1 GLN 147 H -0.11 0.60 -0.16 -0.55 8.47 8.25 2dh4B1 GLN 147 HA -0.09 -0.01 0.47 -0.75 4.36 3.98 2dh4B1 GLN 147 HB2 -0.12 0.04 0.14 -0.04 2.15 2.17 2dh4B1 GLN 147 HB3 -0.12 0.08 0.19 -0.04 2.02 2.13 2dh4B1 GLN 147 HG2 -0.09 -0.00 -0.02 -0.04 2.40 2.25 2dh4B1 GLN 147 HG3 -0.04 -0.02 -0.12 -0.04 2.39 2.16 2dh4B1 GLN 147 HE21 -0.02 -0.02 0.00 -0.04 6.97 6.90 2dh4B1 GLN 147 HE22 -0.02 0.01 -0.03 -0.04 7.69 7.60 2dh4B1 GLY 148 H -0.07 0.60 -0.23 -0.55 8.43 8.17 2dh4B1 GLY 148 HA2 -0.02 0.00 0.34 -0.51 4.01 3.83 2dh4B1 GLY 148 HA3 -0.04 0.08 0.36 -0.51 4.01 3.90 2dh4B1 LEU 149 H -0.23 0.49 -0.24 -0.55 8.37 7.84 2dh4B1 LEU 149 HA -0.43 0.02 0.42 -0.75 4.35 3.60 2dh4B1 LEU 149 HB2 -0.37 0.11 0.13 -0.04 1.64 1.47 2dh4B1 LEU 149 HB3 -0.63 0.05 0.14 -0.04 1.64 1.16 2dh4B1 LEU 149 HG -1.85 -0.04 -0.06 -0.04 1.64 -0.35 2dh4B1 LEU 149 HD13 -0.38 -0.01 0.01 -0.04 0.93 0.51 2dh4B1 LEU 149 HD23 -0.18 -0.02 -0.03 -0.04 0.89 0.62 2dh4B1 ASP 150 H -0.31 0.55 -0.06 -0.55 8.40 8.02 2dh4B1 ASP 150 HA -0.12 -0.04 0.41 -0.75 4.63 4.12 2dh4B1 ASP 150 HB2 -0.13 0.11 0.17 -0.04 2.71 2.82 2dh4B1 ASP 150 HB3 -0.05 0.09 0.14 -0.04 2.70 2.84 2dh4B1 ILE 151 H -0.06 0.63 -0.16 -0.55 8.25 8.12 2dh4B1 ILE 151 HA 0.05 0.04 0.42 -0.75 4.18 3.93 2dh4B1 ILE 151 HB 0.01 0.10 0.15 -0.04 1.89 2.12 2dh4B1 ILE 151 HG12 0.01 0.05 0.02 -0.04 1.49 1.52 2dh4B1 ILE 151 HG13 -0.00 -0.04 0.04 -0.04 1.21 1.17 2dh4B1 ILE 151 HG23 0.05 -0.01 -0.11 -0.04 0.93 0.82 2dh4B1 ILE 151 HD13 0.00 -0.02 -0.07 -0.04 0.88 0.75 2dh4B1 TYR 152 H 0.05 0.59 -0.11 -0.55 8.29 8.26 2dh4B1 TYR 152 HA 0.21 0.00 0.36 -0.75 4.56 4.38 2dh4B1 TYR 152 HB2 -0.08 0.08 0.15 -0.04 3.06 3.17 2dh4B1 TYR 152 HB3 -0.23 0.02 0.19 -0.04 2.98 2.92 2dh4B1 TYR 152 HD2 0.05 0.02 -0.21 -0.04 7.15 6.97 2dh4B1 TYR 152 HE2 -0.38 -0.02 -0.06 -0.04 6.85 6.34 2dh4B1 TRP 153 H 0.13 0.65 -0.09 -0.55 7.97 8.12 2dh4B1 TRP 153 HA 0.22 -0.03 0.30 -0.75 4.62 4.35 2dh4B1 TRP 153 HB2 0.11 0.09 0.17 -0.04 3.23 3.56 2dh4B1 TRP 153 HB3 0.10 -0.01 0.04 -0.04 3.23 3.33 2dh4B1 TRP 153 HD1 0.23 -0.01 -0.08 -0.04 7.22 7.31 2dh4B1 TRP 153 HE1 0.01 -0.05 -0.07 -0.04 10.20 10.05 2dh4B1 TRP 153 HE3 0.10 0.05 0.02 -0.04 7.59 7.71 2dh4B1 TRP 153 HZ2 0.01 -0.05 -0.09 -0.04 7.44 7.27 2dh4B1 TRP 153 HZ3 0.06 -0.02 -0.03 -0.04 7.13 7.09 2dh4B1 TRP 153 HH2 0.02 0.08 -0.41 -0.04 7.19 6.84 2dh4B1 ARG 154 H 0.26 0.39 -0.19 -0.55 8.46 8.36 2dh4B1 ARG 154 HA 0.14 0.09 0.46 -0.75 4.34 4.28 2dh4B1 ARG 154 HB2 0.14 -0.16 0.11 -0.04 1.90 1.95 2dh4B1 ARG 154 HB3 0.09 0.08 0.21 -0.04 1.80 2.14 2dh4B1 ARG 154 HG2 0.04 0.05 -0.16 -0.04 1.67 1.57 2dh4B1 ARG 154 HG3 0.06 0.01 -0.34 -0.04 1.67 1.36 2dh4B1 ARG 154 HD2 0.03 0.28 -0.02 -0.04 3.22 3.46 2dh4B1 ARG 154 HD3 0.06 -0.20 -0.08 -0.04 3.22 2.96 2dh4B1 ASP 155 H 0.08 0.63 0.04 -0.55 8.40 8.60 2dh4B1 ASP 155 HA -0.05 0.14 0.53 -0.75 4.63 4.50 2dh4B1 ASP 155 HB2 -0.02 0.04 0.12 -0.04 2.71 2.81 2dh4B1 ASP 155 HB3 -0.18 -0.08 0.09 -0.04 2.70 2.49 2dh4B1 PHE 156 H 0.14 0.47 -0.23 -0.55 8.34 8.16 2dh4B1 PHE 156 HA -0.12 0.17 0.90 -0.75 4.62 4.82 2dh4B1 PHE 156 HB2 -0.38 0.24 0.08 -0.04 3.15 3.05 2dh4B1 PHE 156 HB3 -0.10 -0.19 0.10 -0.04 3.06 2.83 2dh4B1 PHE 156 HD2 -0.49 0.04 0.04 -0.04 7.28 6.83 2dh4B1 PHE 156 HE2 -0.15 -0.04 -0.01 -0.04 7.38 7.14 2dh4B1 PHE 156 HZ -0.02 -0.05 -0.02 -0.04 7.32 7.20 2dh4B1 LEU 157 H 0.09 0.36 -0.24 -0.55 8.37 8.03 2dh4B1 LEU 157 HA 0.09 -0.15 0.45 -0.75 4.35 3.99 2dh4B1 LEU 157 HB2 0.08 0.22 0.26 -0.04 1.64 2.15 2dh4B1 LEU 157 HB3 0.03 0.06 0.07 -0.04 1.64 1.76 2dh4B1 LEU 157 HG 0.01 -0.06 -0.04 -0.04 1.64 1.51 2dh4B1 LEU 157 HD13 0.01 -0.03 0.02 -0.04 0.93 0.89 2dh4B1 LEU 157 HD23 -0.01 -0.00 -0.02 -0.04 0.89 0.83 2dh4B1 PRO 158 HA 0.04 0.05 0.30 -0.51 4.44 4.32 2dh4B1 PRO 158 HB2 0.03 -0.02 0.12 -0.04 2.28 2.37 2dh4B1 PRO 158 HB3 0.00 0.00 0.05 -0.04 2.02 2.03 2dh4B1 PRO 158 HG2 0.03 -0.01 0.01 -0.04 2.03 2.02 2dh4B1 PRO 158 HG3 0.01 -0.01 0.03 -0.04 2.03 2.02 2dh4B1 PRO 158 HD2 0.02 0.07 0.25 -0.04 3.68 3.98 2dh4B1 PRO 158 HD3 0.01 0.14 0.14 -0.04 3.65 3.90 2dh4B1 GLU 159 H 0.13 0.87 0.24 -0.55 8.60 9.29 2dh4B1 GLU 159 HA 0.09 0.00 0.40 -0.75 4.29 4.03 2dh4B1 GLU 159 HB2 0.22 0.11 0.15 -0.04 2.09 2.53 2dh4B1 GLU 159 HB3 0.23 -0.04 0.05 -0.04 1.99 2.19 2dh4B1 GLU 159 HG2 0.11 -0.04 -0.09 -0.04 2.34 2.28 2dh4B1 GLU 159 HG3 0.13 -0.03 0.04 -0.04 2.34 2.43 2dh4B1 ILE 160 H 0.14 0.22 -0.17 -0.55 8.25 7.90 2dh4B1 ILE 160 HA 0.02 0.19 0.95 -0.75 4.18 4.59 2dh4B1 ILE 160 HB 0.25 0.01 -0.01 -0.04 1.89 2.10 2dh4B1 ILE 160 HG12 0.09 0.03 -0.13 -0.04 1.49 1.44 2dh4B1 ILE 160 HG13 0.20 -0.05 -0.39 -0.04 1.21 0.93 2dh4B1 ILE 160 HG23 -0.09 -0.03 -0.27 -0.04 0.93 0.50 2dh4B1 ILE 160 HD13 0.25 -0.01 -0.10 -0.04 0.88 0.98 2dh4B1 ILE 161 H -0.08 0.21 0.03 -0.55 8.25 7.87 2dh4B1 ILE 161 HA -0.17 0.24 0.89 -0.75 4.18 4.39 2dh4B1 ILE 161 HB -0.04 -0.05 0.10 -0.04 1.89 1.86 2dh4B1 ILE 161 HG12 -0.05 0.06 -0.05 -0.04 1.49 1.40 2dh4B1 ILE 161 HG13 -0.01 0.05 -0.34 -0.04 1.21 0.87 2dh4B1 ILE 161 HG23 -0.08 0.01 -0.15 -0.04 0.93 0.66 2dh4B1 ILE 161 HD13 0.06 -0.01 -0.05 -0.04 0.88 0.84 2dh4B1 PRO 162 HA -0.42 0.02 0.51 -0.51 4.44 4.04 2dh4B1 PRO 162 HB2 -0.77 0.01 -0.06 -0.04 2.28 1.42 2dh4B1 PRO 162 HB3 -2.08 0.03 0.00 -0.04 2.02 -0.07 2dh4B1 PRO 162 HG2 -0.45 -0.02 -0.00 -0.04 2.03 1.52 2dh4B1 PRO 162 HG3 -1.10 0.07 0.02 -0.04 2.03 0.98 2dh4B1 PRO 162 HD2 -0.33 0.12 0.18 -0.04 3.68 3.60 2dh4B1 PRO 162 HD3 -0.80 0.24 -0.01 -0.04 3.65 3.04 2dh4B1 THR 163 H -0.18 0.04 0.18 -0.55 8.28 7.77 2dh4B1 THR 163 HA -0.14 0.30 0.75 -0.75 4.39 4.54 2dh4B1 THR 163 HB -0.06 -0.02 0.18 -0.04 4.32 4.38 2dh4B1 THR 163 HG23 -0.07 0.06 0.05 -0.04 1.22 1.22 2dh4B1 GLN 164 H -0.09 0.23 0.12 -0.55 8.47 8.19 2dh4B1 GLN 164 HA -0.12 0.12 0.37 -0.75 4.36 3.98 2dh4B1 GLN 164 HB2 -0.16 0.08 0.09 -0.04 2.15 2.12 2dh4B1 GLN 164 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 2dh4B1 GLN 164 HG2 0.11 -0.01 -0.21 -0.04 2.40 2.25 2dh4B1 GLN 164 HG3 -0.16 -0.00 0.02 -0.04 2.39 2.21 2dh4B1 GLN 164 HE21 0.27 0.04 -0.02 -0.04 6.97 7.21 2dh4B1 GLN 164 HE22 -0.42 -0.02 -0.02 -0.04 7.69 7.20 2dh4B1 GLU 165 H 0.04 0.12 -0.10 -0.55 8.60 8.10 2dh4B1 GLU 165 HA 0.13 0.12 0.47 -0.75 4.29 4.26 2dh4B1 GLU 165 HB2 0.07 0.05 0.08 -0.04 2.09 2.25 2dh4B1 GLU 165 HB3 0.05 -0.04 0.08 -0.04 1.99 2.03 2dh4B1 GLU 165 HG2 0.07 0.02 -0.25 -0.04 2.34 2.13 2dh4B1 GLU 165 HG3 0.08 0.02 -0.00 -0.04 2.34 2.39 2dh4B1 MET 166 H 0.05 0.04 -0.26 -0.55 8.47 7.76 2dh4B1 MET 166 HA 0.17 0.09 0.36 -0.75 4.52 4.39 2dh4B1 MET 166 HB2 -0.07 0.01 0.15 -0.04 2.15 2.20 2dh4B1 MET 166 HB3 0.24 0.09 -0.00 -0.04 2.03 2.32 2dh4B1 MET 166 HG2 0.11 0.09 0.02 -0.04 2.63 2.80 2dh4B1 MET 166 HG3 0.04 -0.08 0.05 -0.04 2.56 2.52 2dh4B1 MET 166 HE3 -0.00 0.04 -0.06 -0.04 2.10 2.04 2dh4B1 TYR 167 H 0.18 0.55 -0.24 -0.55 8.29 8.23 2dh4B1 TYR 167 HA 0.45 0.05 0.35 -0.75 4.56 4.66 2dh4B1 TYR 167 HB2 -0.01 0.06 -0.00 -0.04 3.06 3.06 2dh4B1 TYR 167 HB3 0.05 0.10 0.14 -0.04 2.98 3.23 2dh4B1 TYR 167 HD2 0.23 0.12 -0.17 -0.04 7.15 7.29 2dh4B1 TYR 167 HE2 0.22 0.02 -0.02 -0.04 6.85 7.02 2dh4B1 LEU 168 H 0.31 0.59 -0.15 -0.55 8.37 8.57 2dh4B1 LEU 168 HA 0.19 -0.01 0.47 -0.75 4.35 4.24 2dh4B1 LEU 168 HB2 0.19 0.05 0.19 -0.04 1.64 2.03 2dh4B1 LEU 168 HB3 0.17 -0.03 0.04 -0.04 1.64 1.77 2dh4B1 LEU 168 HG 0.43 0.12 0.06 -0.04 1.64 2.21 2dh4B1 LEU 168 HD13 0.31 -0.02 -0.06 -0.04 0.93 1.12 2dh4B1 LEU 168 HD23 0.35 -0.01 0.01 -0.04 0.89 1.19 2dh4B1 ASN 169 H 0.13 0.62 -0.16 -0.55 8.53 8.58 2dh4B1 ASN 169 HA 0.04 0.02 0.47 -0.75 4.76 4.53 2dh4B1 ASN 169 HB2 0.11 0.10 0.13 -0.04 2.88 3.17 2dh4B1 ASN 169 HB3 0.04 -0.03 0.02 -0.04 2.79 2.78 2dh4B1 ASN 169 HD21 0.06 -0.05 -0.07 -0.04 7.03 6.93 2dh4B1 ASN 169 HD22 0.08 -0.03 -0.08 -0.04 7.74 7.67 2dh4B1 MET 170 H 0.10 0.51 -0.16 -0.55 8.47 8.38 2dh4B1 MET 170 HA -0.11 0.02 0.49 -0.75 4.52 4.16 2dh4B1 MET 170 HB2 -0.09 0.02 0.11 -0.04 2.15 2.15 2dh4B1 MET 170 HB3 -0.00 0.15 0.21 -0.04 2.03 2.35 2dh4B1 MET 170 HG2 -0.32 0.03 0.18 -0.04 2.63 2.48 2dh4B1 MET 170 HG3 -0.57 -0.01 -0.02 -0.04 2.56 1.93 2dh4B1 MET 170 HE3 -0.12 0.03 0.01 -0.04 2.10 1.98 2dh4B1 VAL 171 H -0.15 0.56 -0.13 -0.55 8.24 7.97 2dh4B1 VAL 171 HA -0.10 -0.04 0.43 -0.75 4.13 3.66 2dh4B1 VAL 171 HB -0.10 0.13 0.17 -0.04 2.12 2.28 2dh4B1 VAL 171 HG13 0.00 -0.02 -0.10 -0.04 0.97 0.82 2dh4B1 VAL 171 HG23 -0.46 0.02 0.02 -0.04 0.95 0.50 2dh4B1 MET 172 H -0.02 0.52 -0.15 -0.55 8.47 8.27 2dh4B1 MET 172 HA -0.03 -0.03 0.38 -0.75 4.52 4.09 2dh4B1 MET 172 HB2 -0.00 0.13 0.15 -0.04 2.15 2.39 2dh4B1 MET 172 HB3 -0.01 -0.02 -0.02 -0.04 2.03 1.94 2dh4B1 MET 172 HG2 0.01 0.05 0.05 -0.04 2.63 2.70 2dh4B1 MET 172 HG3 0.01 -0.03 -0.01 -0.04 2.56 2.49 2dh4B1 MET 172 HE3 -0.01 0.00 -0.02 -0.04 2.10 2.03 2dh4B1 ASN 173 H -0.04 0.36 -0.43 -0.55 8.53 7.86 2dh4B1 ASN 173 HA -0.03 0.04 0.57 -0.75 4.76 4.58 2dh4B1 ASN 173 HB2 -0.07 0.11 0.29 -0.04 2.88 3.17 2dh4B1 ASN 173 HB3 -0.06 0.07 0.15 -0.04 2.79 2.91 2dh4B1 ASN 173 HD21 -0.03 -0.09 -0.03 -0.04 7.03 6.84 2dh4B1 ASN 173 HD22 -0.04 0.25 0.03 -0.04 7.74 7.93 2dh4B1 LYS 174 H -0.07 0.68 0.22 -0.55 8.42 8.69 2dh4B1 LYS 174 HA -0.07 0.11 0.50 -0.75 4.32 4.11 2dh4B1 LYS 174 HB2 -0.09 -0.05 -0.05 -0.04 1.87 1.64 2dh4B1 LYS 174 HB3 -0.05 -0.07 0.11 -0.04 1.79 1.74 2dh4B1 LYS 174 HG2 -0.00 -0.00 -0.29 -0.04 1.46 1.13 2dh4B1 LYS 174 HG3 -0.05 0.02 -0.05 -0.04 1.46 1.33 2dh4B1 LYS 174 HD2 -0.00 0.01 -0.06 -0.04 1.69 1.59 2dh4B1 LYS 174 HD3 -0.05 0.04 -0.12 -0.04 1.68 1.52 2dh4B1 LYS 174 HE2 -0.01 -0.04 -0.06 -0.04 2.99 2.84 2dh4B1 LYS 174 HE3 0.06 -0.01 -0.07 -0.04 2.99 2.93 2dh4B1 THR 175 H -0.00 0.42 0.10 -0.55 8.28 8.25 2dh4B1 THR 175 HA 0.09 0.12 0.62 -0.75 4.39 4.47 2dh4B1 THR 175 HB 0.04 0.05 0.03 -0.04 4.32 4.40 2dh4B1 THR 175 HG23 0.22 0.00 0.02 -0.04 1.22 1.42 2dh4B1 GLY 176 H 0.00 0.48 -0.09 -0.55 8.43 8.28 2dh4B1 GLY 176 HA2 0.05 -0.04 0.32 -0.51 4.01 3.82 2dh4B1 GLY 176 HA3 -0.00 0.17 0.33 -0.51 4.01 4.00 2dh4B1 GLY 177 H 0.00 0.41 -0.52 -0.55 8.43 7.77 2dh4B1 GLY 177 HA2 -0.02 -0.03 0.39 -0.51 4.01 3.84 2dh4B1 GLY 177 HA3 -0.04 0.18 0.31 -0.51 4.01 3.95 2dh4B1 LEU 178 H -0.00 0.29 -0.15 -0.55 8.37 7.97 2dh4B1 LEU 178 HA -0.07 0.07 0.52 -0.75 4.35 4.11 2dh4B1 LEU 178 HB2 -0.12 0.08 0.08 -0.04 1.64 1.63 2dh4B1 LEU 178 HB3 -0.14 -0.01 0.03 -0.04 1.64 1.47 2dh4B1 LEU 178 HG -0.07 0.04 0.00 -0.04 1.64 1.58 2dh4B1 LEU 178 HD13 0.00 0.01 -0.10 -0.04 0.93 0.80 2dh4B1 LEU 178 HD23 -0.10 -0.00 -0.09 -0.04 0.89 0.65 2dh4B1 PHE 179 H 0.20 0.35 -0.15 -0.55 8.34 8.18 2dh4B1 PHE 179 HA -0.06 0.06 0.51 -0.75 4.62 4.37 2dh4B1 PHE 179 HB2 -0.07 0.09 0.13 -0.04 3.15 3.26 2dh4B1 PHE 179 HB3 -0.06 -0.05 -0.04 -0.04 3.06 2.86 2dh4B1 PHE 179 HD2 -0.10 0.17 0.04 -0.04 7.28 7.34 2dh4B1 PHE 179 HE2 -0.26 -0.00 -0.02 -0.04 7.38 7.05 2dh4B1 PHE 179 HZ -0.49 0.01 -0.03 -0.04 7.32 6.77 2dh4B1 ARG 180 H 0.11 0.85 -0.00 -0.55 8.46 8.87 2dh4B1 ARG 180 HA 0.07 -0.04 0.41 -0.75 4.34 4.03 2dh4B1 ARG 180 HB2 0.03 0.22 0.07 -0.04 1.90 2.17 2dh4B1 ARG 180 HB3 0.02 -0.05 -0.07 -0.04 1.80 1.66 2dh4B1 ARG 180 HG2 0.03 -0.09 0.01 -0.04 1.67 1.58 2dh4B1 ARG 180 HG3 0.03 0.03 -0.02 -0.04 1.67 1.67 2dh4B1 ARG 180 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.11 2dh4B1 ARG 180 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.10 2dh4B1 LEU 181 H 0.00 0.52 -0.18 -0.55 8.37 8.16 2dh4B1 LEU 181 HA 0.00 0.02 0.39 -0.75 4.35 4.01 2dh4B1 LEU 181 HB2 -0.06 0.02 0.08 -0.04 1.64 1.64 2dh4B1 LEU 181 HB3 -0.05 0.04 0.18 -0.04 1.64 1.77 2dh4B1 LEU 181 HG -0.02 0.01 -0.14 -0.04 1.64 1.45 2dh4B1 LEU 181 HD13 0.07 -0.02 -0.15 -0.04 0.93 0.79 2dh4B1 LEU 181 HD23 -0.21 0.00 -0.03 -0.04 0.89 0.61 2dh4B1 THR 182 H -0.02 0.48 -0.27 -0.55 8.28 7.92 2dh4B1 THR 182 HA 0.00 0.03 0.32 -0.75 4.39 3.99 2dh4B1 THR 182 HB -0.02 0.08 0.15 -0.04 4.32 4.49 2dh4B1 THR 182 HG23 -0.01 -0.02 -0.08 -0.04 1.22 1.06 2dh4B1 LEU 183 H 0.04 0.50 -0.12 -0.55 8.37 8.24 2dh4B1 LEU 183 HA 0.03 0.03 0.35 -0.75 4.35 4.01 2dh4B1 LEU 183 HB2 0.09 0.05 0.08 -0.04 1.64 1.82 2dh4B1 LEU 183 HB3 0.07 0.03 0.10 -0.04 1.64 1.79 2dh4B1 LEU 183 HG 0.06 -0.04 -0.22 -0.04 1.64 1.40 2dh4B1 LEU 183 HD13 0.06 0.00 0.01 -0.04 0.93 0.97 2dh4B1 LEU 183 HD23 0.12 -0.07 -0.29 -0.04 0.89 0.62 2dh4B1 ARG 184 H 0.03 0.83 -0.09 -0.55 8.46 8.68 2dh4B1 ARG 184 HA 0.04 -0.03 0.48 -0.75 4.34 4.07 2dh4B1 ARG 184 HB2 0.02 0.13 0.12 -0.04 1.90 2.13 2dh4B1 ARG 184 HB3 0.03 -0.05 0.02 -0.04 1.80 1.76 2dh4B1 ARG 184 HG2 0.04 -0.09 0.03 -0.04 1.67 1.61 2dh4B1 ARG 184 HG3 0.04 0.07 0.09 -0.04 1.67 1.83 2dh4B1 ARG 184 HD2 0.02 -0.07 -0.03 -0.04 3.22 3.10 2dh4B1 ARG 184 HD3 0.02 0.05 -0.10 -0.04 3.22 3.14 2dh4B1 LEU 185 H 0.02 0.54 -0.20 -0.55 8.37 8.19 2dh4B1 LEU 185 HA 0.02 0.01 0.44 -0.75 4.35 4.06 2dh4B1 LEU 185 HB2 0.02 0.18 0.19 -0.04 1.64 2.00 2dh4B1 LEU 185 HB3 0.02 -0.05 -0.01 -0.04 1.64 1.56 2dh4B1 LEU 185 HG 0.05 0.19 0.08 -0.04 1.64 1.92 2dh4B1 LEU 185 HD13 0.06 -0.02 -0.02 -0.04 0.93 0.91 2dh4B1 LEU 185 HD23 0.04 -0.01 0.06 -0.04 0.89 0.94 2dh4B1 MET 186 H 0.01 0.49 -0.13 -0.55 8.47 8.29 2dh4B1 MET 186 HA -0.00 0.00 0.38 -0.75 4.52 4.14 2dh4B1 MET 186 HB2 -0.01 0.09 0.16 -0.04 2.15 2.35 2dh4B1 MET 186 HB3 -0.03 -0.05 -0.02 -0.04 2.03 1.89 2dh4B1 MET 186 HG2 -0.00 -0.06 -0.00 -0.04 2.63 2.52 2dh4B1 MET 186 HG3 0.01 0.12 0.06 -0.04 2.56 2.70 2dh4B1 MET 186 HE3 -0.00 0.03 -0.10 -0.04 2.10 1.99 2dh4B1 GLU 187 H -0.00 0.56 -0.09 -0.55 8.60 8.52 2dh4B1 GLU 187 HA -0.14 0.06 0.49 -0.75 4.29 3.95 2dh4B1 GLU 187 HB2 0.03 0.02 0.16 -0.04 2.09 2.27 2dh4B1 GLU 187 HB3 0.08 -0.02 0.05 -0.04 1.99 2.07 2dh4B1 GLU 187 HG2 -0.17 0.05 0.01 -0.04 2.34 2.19 2dh4B1 GLU 187 HG3 -0.02 0.11 0.05 -0.04 2.34 2.44 2dh4B1 ALA 188 H 0.03 0.60 -0.17 -0.55 8.40 8.31 2dh4B1 ALA 188 HA 0.06 0.00 0.43 -0.75 4.34 4.08 2dh4B1 ALA 188 HB3 0.03 -0.02 0.09 -0.04 1.41 1.47 2dh4B1 LEU 189 H 0.02 0.36 -0.26 -0.55 8.37 7.95 2dh4B1 LEU 189 HA 0.03 0.04 0.58 -0.75 4.35 4.26 2dh4B1 LEU 189 HB2 0.01 0.05 0.05 -0.04 1.64 1.71 2dh4B1 LEU 189 HB3 0.02 -0.10 0.04 -0.04 1.64 1.55 2dh4B1 LEU 189 HG 0.02 0.05 -0.02 -0.04 1.64 1.66 2dh4B1 LEU 189 HD13 0.02 -0.04 -0.08 -0.04 0.93 0.79 2dh4B1 LEU 189 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 2dh4B1 SER 190 H 0.03 0.25 -0.26 -0.55 8.46 7.93 2dh4B1 SER 190 HA 0.02 0.02 0.36 -0.75 4.49 4.13 2dh4B1 SER 190 HB2 -0.11 -0.04 0.20 -0.04 3.95 3.96 2dh4B1 SER 190 HB3 0.18 0.07 0.13 -0.04 3.93 4.28 2dh4B1 PRO 191 HA 0.03 0.07 0.60 -0.51 4.44 4.63 2dh4B1 PRO 191 HB2 0.01 -0.09 0.08 -0.04 2.28 2.24 2dh4B1 PRO 191 HB3 0.02 -0.03 0.18 -0.04 2.02 2.15 2dh4B1 PRO 191 HG2 0.02 -0.06 0.18 -0.04 2.03 2.12 2dh4B1 PRO 191 HG3 0.01 0.01 0.20 -0.04 2.03 2.21 2dh4B1 PRO 191 HD2 0.02 0.35 0.17 -0.04 3.68 4.18 2dh4B1 PRO 191 HD3 0.02 0.07 0.22 -0.04 3.65 3.92 2dh4B1 SER 192 H 0.05 0.24 -0.04 -0.55 8.46 8.17 2dh4B1 SER 192 HA 0.00 -0.15 0.28 -0.75 4.49 3.87 2dh4B1 SER 192 HB2 0.24 0.06 0.03 -0.04 3.95 4.23 2dh4B1 SER 192 HB3 0.08 -0.10 -0.09 -0.04 3.93 3.79 2dh4B1 SER 193 H -0.10 0.00 0.10 -0.55 8.46 7.92 2dh4B1 SER 193 HA -0.19 0.11 0.39 -0.75 4.49 4.03 2dh4B1 SER 193 HB2 -1.04 0.01 0.10 -0.04 3.95 2.98 2dh4B1 SER 193 HB3 -0.28 0.00 0.16 -0.04 3.93 3.77 2dh4B1 HIS 194 H -0.36 0.10 -0.06 -0.55 8.41 7.54 2dh4B1 HIS 194 HA -0.32 0.27 0.85 -0.75 4.63 4.68 2dh4B1 HIS 194 HB2 -0.08 -0.05 0.22 -0.04 3.26 3.31 2dh4B1 HIS 194 HB3 -0.11 0.04 0.09 -0.04 3.20 3.17 2dh4B1 HIS 194 HD2 -0.03 -0.01 0.02 -0.04 6.97 6.89 2dh4B1 HIS 194 HE1 -0.03 0.03 -0.05 -0.04 7.75 7.66 2dh4B1 HIS 195 H -0.76 0.35 -0.17 -0.55 8.41 7.29 2dh4B1 HIS 195 HA -0.02 0.01 0.38 -0.75 4.63 4.25 2dh4B1 HIS 195 HB2 -0.02 -0.06 0.14 -0.04 3.26 3.28 2dh4B1 HIS 195 HB3 -0.02 0.13 0.08 -0.04 3.20 3.35 2dh4B1 HIS 195 HD2 0.01 0.09 -0.25 -0.04 6.97 6.77 2dh4B1 HIS 195 HE1 0.03 0.19 0.05 -0.04 7.75 7.98 2dh4B1 GLY 196 H -0.03 0.25 -0.86 -0.55 8.43 7.23 2dh4B1 GLY 196 HA2 -0.05 -0.04 0.28 -0.51 4.01 3.69 2dh4B1 GLY 196 HA3 -0.14 0.11 0.56 -0.51 4.01 4.03 2dh4B1 HIS 197 H -0.21 0.09 0.11 -0.55 8.41 7.85 2dh4B1 HIS 197 HA 0.04 -0.03 0.36 -0.75 4.63 4.25 2dh4B1 HIS 197 HB2 0.05 -0.04 0.13 -0.04 3.26 3.36 2dh4B1 HIS 197 HB3 0.03 -0.05 0.15 -0.04 3.20 3.28 2dh4B1 HIS 197 HD2 0.01 -0.09 0.09 -0.04 6.97 6.94 2dh4B1 HIS 197 HE1 0.04 0.23 -0.46 -0.04 7.75 7.51 2dh4B1 SER 198 H 0.18 0.01 0.16 -0.55 8.46 8.26 2dh4B1 SER 198 HA 0.17 0.14 0.44 -0.75 4.49 4.48 2dh4B1 SER 198 HB2 0.12 0.08 0.15 -0.04 3.95 4.26 2dh4B1 SER 198 HB3 0.12 -0.02 0.14 -0.04 3.93 4.13 2dh4B1 LEU 199 H 0.13 0.16 0.12 -0.55 8.37 8.24 2dh4B1 LEU 199 HA 0.26 0.33 0.84 -0.75 4.35 5.02 2dh4B1 LEU 199 HB2 0.13 -0.02 0.07 -0.04 1.64 1.77 2dh4B1 LEU 199 HB3 0.22 -0.08 0.15 -0.04 1.64 1.89 2dh4B1 LEU 199 HG 0.06 0.10 -0.04 -0.04 1.64 1.72 2dh4B1 LEU 199 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.88 2dh4B1 LEU 199 HD23 0.06 0.03 -0.15 -0.04 0.89 0.79 2dh4B1 VAL 200 H 0.12 0.10 -0.33 -0.55 8.24 7.58 2dh4B1 VAL 200 HA 0.08 0.03 0.36 -0.75 4.13 3.85 2dh4B1 VAL 200 HB 0.07 0.06 0.05 -0.04 2.12 2.26 2dh4B1 VAL 200 HG13 0.03 0.00 -0.13 -0.04 0.97 0.84 2dh4B1 VAL 200 HG23 0.06 0.01 0.01 -0.04 0.95 0.98 2dh4B1 PRO 201 HA -0.01 0.03 0.37 -0.51 4.44 4.32 2dh4B1 PRO 201 HB2 0.12 0.11 0.02 -0.04 2.28 2.49 2dh4B1 PRO 201 HB3 0.03 0.01 0.04 -0.04 2.02 2.06 2dh4B1 PRO 201 HG2 0.06 0.13 0.04 -0.04 2.03 2.21 2dh4B1 PRO 201 HG3 0.05 0.00 0.01 -0.04 2.03 2.05 2dh4B1 PRO 201 HD2 0.13 0.34 -0.10 -0.04 3.68 4.01 2dh4B1 PRO 201 HD3 0.08 0.01 0.03 -0.04 3.65 3.73 2dh4B1 PHE 202 H 0.23 0.25 -0.37 -0.55 8.34 7.90 2dh4B1 PHE 202 HA -0.09 -0.00 0.35 -0.75 4.62 4.12 2dh4B1 PHE 202 HB2 0.11 0.15 -0.02 -0.04 3.15 3.35 2dh4B1 PHE 202 HB3 0.07 0.19 0.10 -0.04 3.06 3.37 2dh4B1 PHE 202 HD2 0.05 0.00 -0.12 -0.04 7.28 7.17 2dh4B1 PHE 202 HE2 0.04 -0.01 -0.07 -0.04 7.38 7.30 2dh4B1 PHE 202 HZ 0.04 -0.01 -0.05 -0.04 7.32 7.26 2dh4B1 ILE 203 H 0.10 0.58 -0.10 -0.55 8.25 8.29 2dh4B1 ILE 203 HA -0.29 0.02 0.46 -0.75 4.18 3.62 2dh4B1 ILE 203 HB 0.13 0.13 0.05 -0.04 1.89 2.16 2dh4B1 ILE 203 HG12 0.17 0.11 -0.07 -0.04 1.49 1.66 2dh4B1 ILE 203 HG13 0.15 -0.09 0.03 -0.04 1.21 1.26 2dh4B1 ILE 203 HG23 0.05 0.02 -0.19 -0.04 0.93 0.77 2dh4B1 ILE 203 HD13 0.19 0.00 -0.04 -0.04 0.88 1.00 2dh4B1 ASN 204 H -0.08 0.65 -0.16 -0.55 8.53 8.39 2dh4B1 ASN 204 HA -0.13 -0.01 0.42 -0.75 4.76 4.30 2dh4B1 ASN 204 HB2 -0.08 0.19 0.19 -0.04 2.88 3.14 2dh4B1 ASN 204 HB3 -0.08 -0.06 -0.02 -0.04 2.79 2.58 2dh4B1 ASN 204 HD21 -0.00 -0.02 -0.07 -0.04 7.03 6.90 2dh4B1 ASN 204 HD22 -0.02 -0.02 -0.07 -0.04 7.74 7.59 2dh4B1 LEU 205 H -0.24 0.54 -0.17 -0.55 8.37 7.95 2dh4B1 LEU 205 HA -0.19 -0.03 0.37 -0.75 4.35 3.75 2dh4B1 LEU 205 HB2 -0.29 0.08 0.10 -0.04 1.64 1.49 2dh4B1 LEU 205 HB3 -0.34 0.14 0.10 -0.04 1.64 1.49 2dh4B1 LEU 205 HG -0.21 -0.03 -0.13 -0.04 1.64 1.24 2dh4B1 LEU 205 HD13 -0.17 -0.03 0.03 -0.04 0.93 0.72 2dh4B1 LEU 205 HD23 -0.30 0.02 -0.06 -0.04 0.89 0.51 2dh4B1 LEU 206 H -0.51 0.58 -0.16 -0.55 8.37 7.72 2dh4B1 LEU 206 HA -0.33 -0.01 0.44 -0.75 4.35 3.70 2dh4B1 LEU 206 HB2 -0.68 0.15 0.17 -0.04 1.64 1.24 2dh4B1 LEU 206 HB3 -0.61 0.08 0.05 -0.04 1.64 1.11 2dh4B1 LEU 206 HG -0.15 -0.03 -0.02 -0.04 1.64 1.40 2dh4B1 LEU 206 HD13 -0.24 -0.01 -0.01 -0.04 0.93 0.62 2dh4B1 LEU 206 HD23 -0.10 0.00 -0.04 -0.04 0.89 0.72 2dh4B1 GLY 207 H -0.57 0.62 -0.20 -0.55 8.43 7.74 2dh4B1 GLY 207 HA2 -0.97 0.02 0.34 -0.51 4.01 2.89 2dh4B1 GLY 207 HA3 -0.53 0.06 0.21 -0.51 4.01 3.23 2dh4B1 ILE 208 H -0.19 0.58 -0.15 -0.55 8.25 7.94 2dh4B1 ILE 208 HA -0.00 -0.03 0.45 -0.75 4.18 3.84 2dh4B1 ILE 208 HB -0.08 0.12 0.16 -0.04 1.89 2.05 2dh4B1 ILE 208 HG12 0.02 -0.07 -0.01 -0.04 1.49 1.38 2dh4B1 ILE 208 HG13 -0.07 0.13 0.01 -0.04 1.21 1.24 2dh4B1 ILE 208 HG23 0.07 -0.03 -0.12 -0.04 0.93 0.81 2dh4B1 ILE 208 HD13 -0.01 -0.01 -0.06 -0.04 0.88 0.75 2dh4B1 ILE 209 H -0.14 0.74 -0.06 -0.55 8.25 8.24 2dh4B1 ILE 209 HA -0.09 -0.04 0.40 -0.75 4.18 3.69 2dh4B1 ILE 209 HB -0.13 0.14 0.19 -0.04 1.89 2.05 2dh4B1 ILE 209 HG12 -0.12 -0.07 0.04 -0.04 1.49 1.29 2dh4B1 ILE 209 HG13 -0.13 0.06 0.06 -0.04 1.21 1.15 2dh4B1 ILE 209 HG23 -0.09 -0.02 -0.10 -0.04 0.93 0.68 2dh4B1 ILE 209 HD13 -0.13 -0.00 -0.19 -0.04 0.88 0.52 2dh4B1 TYR 210 H -0.03 0.81 -0.17 -0.55 8.29 8.35 2dh4B1 TYR 210 HA -0.04 -0.04 0.28 -0.75 4.56 4.01 2dh4B1 TYR 210 HB2 -0.06 0.02 0.08 -0.04 3.06 3.06 2dh4B1 TYR 210 HB3 -0.16 0.11 0.18 -0.04 2.98 3.08 2dh4B1 TYR 210 HD2 0.09 0.11 -0.10 -0.04 7.15 7.21 2dh4B1 TYR 210 HE2 0.09 -0.02 -0.04 -0.04 6.85 6.84 2dh4B1 GLN 211 H 0.13 0.58 -0.14 -0.55 8.47 8.49 2dh4B1 GLN 211 HA 0.00 0.05 0.49 -0.75 4.36 4.15 2dh4B1 GLN 211 HB2 0.19 0.08 0.14 -0.04 2.15 2.52 2dh4B1 GLN 211 HB3 0.12 0.03 0.14 -0.04 2.02 2.26 2dh4B1 GLN 211 HG2 0.07 -0.01 0.00 -0.04 2.40 2.43 2dh4B1 GLN 211 HG3 0.19 -0.09 -0.12 -0.04 2.39 2.33 2dh4B1 GLN 211 HE21 0.12 0.05 0.00 -0.04 6.97 7.09 2dh4B1 GLN 211 HE22 0.13 -0.12 0.04 -0.04 7.69 7.70 2dh4B1 ILE 212 H 0.01 0.71 0.00 -0.55 8.25 8.42 2dh4B1 ILE 212 HA 0.05 -0.09 0.48 -0.75 4.18 3.88 2dh4B1 ILE 212 HB -0.15 0.14 0.16 -0.04 1.89 2.00 2dh4B1 ILE 212 HG12 -0.02 -0.12 0.05 -0.04 1.49 1.36 2dh4B1 ILE 212 HG13 0.08 0.18 0.13 -0.04 1.21 1.56 2dh4B1 ILE 212 HG23 -0.60 -0.04 -0.02 -0.04 0.93 0.23 2dh4B1 ILE 212 HD13 -0.23 -0.01 -0.04 -0.04 0.88 0.56 2dh4B1 ARG 213 H -0.10 0.74 -0.13 -0.55 8.46 8.42 2dh4B1 ARG 213 HA 0.01 -0.05 0.40 -0.75 4.34 3.95 2dh4B1 ARG 213 HB2 -0.10 0.02 0.10 -0.04 1.90 1.87 2dh4B1 ARG 213 HB3 -0.15 0.17 0.10 -0.04 1.80 1.87 2dh4B1 ARG 213 HG2 -0.06 -0.02 -0.13 -0.04 1.67 1.41 2dh4B1 ARG 213 HG3 -0.01 -0.07 0.05 -0.04 1.67 1.60 2dh4B1 ARG 213 HD2 -0.10 0.02 -0.06 -0.04 3.22 3.04 2dh4B1 ARG 213 HD3 -0.08 -0.02 -0.02 -0.04 3.22 3.06 2dh4B1 ASP 214 H -0.21 0.55 -0.19 -0.55 8.40 8.00 2dh4B1 ASP 214 HA -0.12 0.00 0.42 -0.75 4.63 4.18 2dh4B1 ASP 214 HB2 -0.51 0.13 0.17 -0.04 2.71 2.45 2dh4B1 ASP 214 HB3 -0.13 0.12 0.23 -0.04 2.70 2.87 2dh4B1 ASP 215 H 0.03 0.62 -0.06 -0.55 8.40 8.46 2dh4B1 ASP 215 HA 0.06 0.01 0.40 -0.75 4.63 4.35 2dh4B1 ASP 215 HB2 0.13 0.16 0.23 -0.04 2.71 3.19 2dh4B1 ASP 215 HB3 0.13 -0.15 0.06 -0.04 2.70 2.70 2dh4B1 TYR 216 H 0.13 0.71 -0.10 -0.55 8.29 8.47 2dh4B1 TYR 216 HA 0.01 -0.05 0.43 -0.75 4.56 4.19 2dh4B1 TYR 216 HB2 -0.05 0.01 0.07 -0.04 3.06 3.05 2dh4B1 TYR 216 HB3 -0.06 0.11 0.23 -0.04 2.98 3.22 2dh4B1 TYR 216 HD2 -0.03 0.01 0.00 -0.04 7.15 7.09 2dh4B1 TYR 216 HE2 -0.03 0.05 -0.00 -0.04 6.85 6.82 2dh4B1 LEU 217 H 0.04 0.87 0.06 -0.55 8.37 8.79 2dh4B1 LEU 217 HA -0.23 -0.07 0.44 -0.75 4.35 3.73 2dh4B1 LEU 217 HB2 -0.02 0.16 0.14 -0.04 1.64 1.87 2dh4B1 LEU 217 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.54 2dh4B1 LEU 217 HG 0.13 0.06 0.09 -0.04 1.64 1.89 2dh4B1 LEU 217 HD13 -0.03 0.01 -0.03 -0.04 0.93 0.84 2dh4B1 LEU 217 HD23 0.03 -0.02 0.00 -0.04 0.89 0.86 2dh4B1 ASN 218 H -0.03 0.55 -0.25 -0.55 8.53 8.25 2dh4B1 ASN 218 HA 0.00 -0.01 0.46 -0.75 4.76 4.46 2dh4B1 ASN 218 HB2 0.01 0.23 0.17 -0.04 2.88 3.25 2dh4B1 ASN 218 HB3 -0.01 0.12 0.08 -0.04 2.79 2.94 2dh4B1 ASN 218 HD21 0.04 -0.13 0.09 -0.04 7.03 6.98 2dh4B1 ASN 218 HD22 0.03 0.15 0.09 -0.04 7.74 7.97 2dh4B1 LEU 219 H -0.10 0.41 -0.28 -0.55 8.37 7.86 2dh4B1 LEU 219 HA -0.02 0.08 0.74 -0.75 4.35 4.41 2dh4B1 LEU 219 HB2 -0.12 0.13 0.15 -0.04 1.64 1.75 2dh4B1 LEU 219 HB3 -0.05 -0.04 0.01 -0.04 1.64 1.52 2dh4B1 LEU 219 HG -0.03 0.13 0.03 -0.04 1.64 1.74 2dh4B1 LEU 219 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 2dh4B1 LEU 219 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.73 2dh4B1 LYS 220 H -0.32 0.65 0.19 -0.55 8.42 8.39 2dh4B1 LYS 220 HA -0.18 0.02 0.39 -0.75 4.32 3.80 2dh4B1 LYS 220 HB2 -0.97 0.07 0.06 -0.04 1.87 0.98 2dh4B1 LYS 220 HB3 -0.37 0.02 0.03 -0.04 1.79 1.43 2dh4B1 LYS 220 HG2 -0.12 0.01 -0.04 -0.04 1.46 1.27 2dh4B1 LYS 220 HG3 -0.11 0.01 -0.07 -0.04 1.46 1.25 2dh4B1 LYS 220 HD2 -0.14 -0.03 0.03 -0.04 1.69 1.51 2dh4B1 LYS 220 HD3 -0.20 -0.03 -0.02 -0.04 1.68 1.38 2dh4B1 LYS 220 HE2 0.06 0.02 -0.04 -0.04 2.99 2.98 2dh4B1 LYS 220 HE3 -0.03 0.03 -0.04 -0.04 2.99 2.90 2dh4B1 ASP 221 H -0.09 0.61 -0.12 -0.55 8.40 8.25 2dh4B1 ASP 221 HA -0.05 0.05 0.33 -0.75 4.63 4.21 2dh4B1 ASP 221 HB2 -0.00 0.07 0.00 -0.04 2.71 2.74 2dh4B1 ASP 221 HB3 -0.01 -0.04 -0.23 -0.04 2.70 2.37 2dh4B1 PHE 222 H 0.11 0.17 -0.49 -0.55 8.34 7.57 2dh4B1 PHE 222 HA -0.09 0.33 0.53 -0.75 4.62 4.63 2dh4B1 PHE 222 HB2 -0.04 -0.11 -0.10 -0.04 3.15 2.85 2dh4B1 PHE 222 HB3 -0.06 0.11 0.06 -0.04 3.06 3.13 2dh4B1 PHE 222 HD2 -0.06 0.12 -0.15 -0.04 7.28 7.15 2dh4B1 PHE 222 HE2 -0.02 -0.02 -0.07 -0.04 7.38 7.23 2dh4B1 PHE 222 HZ -0.00 -0.07 0.05 -0.04 7.32 7.26 2dh4B1 GLN 223 H 0.04 0.53 -0.08 -0.55 8.47 8.42 2dh4B1 GLN 223 HA -0.09 -0.01 0.34 -0.75 4.36 3.86 2dh4B1 GLN 223 HB2 -0.01 -0.03 0.07 -0.04 2.15 2.14 2dh4B1 GLN 223 HB3 -0.06 0.10 0.12 -0.04 2.02 2.13 2dh4B1 GLN 223 HG2 -0.07 0.04 -0.16 -0.04 2.40 2.17 2dh4B1 GLN 223 HG3 -0.05 -0.03 0.03 -0.04 2.39 2.29 2dh4B1 GLN 223 HE21 -0.16 -0.06 -0.02 -0.04 6.97 6.69 2dh4B1 GLN 223 HE22 -0.12 0.01 -0.04 -0.04 7.69 7.50 2dh4B1 MET 224 H -0.08 0.33 -0.48 -0.55 8.47 7.68 2dh4B1 MET 224 HA -0.08 0.11 0.70 -0.75 4.52 4.49 2dh4B1 MET 224 HB2 -0.06 0.07 0.06 -0.04 2.15 2.17 2dh4B1 MET 224 HB3 -0.05 -0.06 0.11 -0.04 2.03 1.98 2dh4B1 MET 224 HG2 -0.04 -0.03 -0.02 -0.04 2.63 2.49 2dh4B1 MET 224 HG3 -0.06 0.01 -0.07 -0.04 2.56 2.40 2dh4B1 MET 224 HE3 -0.02 -0.01 -0.01 -0.04 2.10 2.02 2dh4B1 SER 225 H -0.19 0.42 -0.43 -0.55 8.46 7.71 2dh4B1 SER 225 HA -0.15 -0.00 0.47 -0.75 4.49 4.05 2dh4B1 SER 225 HB2 -0.09 0.29 0.17 -0.04 3.95 4.29 2dh4B1 SER 225 HB3 -0.10 0.07 -0.06 -0.04 3.93 3.80 2dh4B1 SER 226 H -0.22 0.16 0.15 -0.55 8.46 8.01 2dh4B1 SER 226 HA -0.48 0.20 0.61 -0.75 4.49 4.07 2dh4B1 SER 226 HB2 -0.15 -0.00 0.21 -0.04 3.95 3.96 2dh4B1 SER 226 HB3 -0.29 0.01 0.14 -0.04 3.93 3.75 2dh4B1 GLU 227 H -0.17 -0.10 -0.57 -0.55 8.60 7.22 2dh4B1 GLU 227 HA -0.34 0.22 0.65 -0.75 4.29 4.06 2dh4B1 GLU 227 HB2 -0.10 -0.04 -0.04 -0.04 2.09 1.88 2dh4B1 GLU 227 HB3 -0.09 0.02 0.10 -0.04 1.99 1.98 2dh4B1 GLU 227 HG2 -0.14 0.27 -0.10 -0.04 2.34 2.34 2dh4B1 GLU 227 HG3 -0.09 -0.09 -0.25 -0.04 2.34 1.87 2dh4B1 LYS 228 H -0.14 0.20 -0.04 -0.55 8.42 7.89 2dh4B1 LYS 228 HA -0.06 0.10 0.60 -0.75 4.32 4.21 2dh4B1 LYS 228 HB2 -0.08 0.27 0.15 -0.04 1.87 2.17 2dh4B1 LYS 228 HB3 -0.04 -0.06 -0.03 -0.04 1.79 1.62 2dh4B1 LYS 228 HG2 -0.04 -0.01 0.03 -0.04 1.46 1.40 2dh4B1 LYS 228 HG3 -0.06 -0.06 -0.01 -0.04 1.46 1.28 2dh4B1 LYS 228 HD2 -0.04 -0.01 -0.02 -0.04 1.69 1.57 2dh4B1 LYS 228 HD3 -0.05 0.08 -0.10 -0.04 1.68 1.57 2dh4B1 LYS 228 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.88 2dh4B1 LYS 228 HE3 -0.02 -0.02 -0.00 -0.04 2.99 2.91 2dh4B1 GLY 229 H -0.13 0.37 -0.02 -0.55 8.43 8.10 2dh4B1 GLY 229 HA2 0.01 0.11 0.44 -0.51 4.01 4.07 2dh4B1 GLY 229 HA3 0.04 -0.02 0.18 -0.51 4.01 3.70 2dh4B1 PHE 230 H 0.32 0.06 0.14 -0.55 8.34 8.31 2dh4B1 PHE 230 HA 0.23 0.30 0.85 -0.75 4.62 5.25 2dh4B1 PHE 230 HB2 -0.00 -0.10 0.03 -0.04 3.15 3.03 2dh4B1 PHE 230 HB3 -0.01 0.07 0.09 -0.04 3.06 3.17 2dh4B1 PHE 230 HD2 0.05 -0.04 -0.00 -0.04 7.28 7.25 2dh4B1 PHE 230 HE2 0.03 0.01 -0.06 -0.04 7.38 7.33 2dh4B1 PHE 230 HZ 0.03 0.03 -0.06 -0.04 7.32 7.27 2dh4B1 ALA 231 H 0.07 0.08 0.08 -0.55 8.40 8.09 2dh4B1 ALA 231 HA -0.07 0.20 0.38 -0.75 4.34 4.09 2dh4B1 ALA 231 HB3 -0.56 0.06 0.07 -0.04 1.41 0.93 2dh4B1 GLU 232 H 0.04 0.04 -0.10 -0.55 8.60 8.03 2dh4B1 GLU 232 HA -0.03 0.18 0.40 -0.75 4.29 4.09 2dh4B1 GLU 232 HB2 0.03 -0.08 0.10 -0.04 2.09 2.09 2dh4B1 GLU 232 HB3 -0.00 0.11 -0.05 -0.04 1.99 2.01 2dh4B1 GLU 232 HG2 -0.01 -0.06 0.01 -0.04 2.34 2.24 2dh4B1 GLU 232 HG3 -0.05 0.01 0.05 -0.04 2.34 2.31 2dh4B1 ASP 233 H -0.01 0.03 -0.31 -0.55 8.40 7.55 2dh4B1 ASP 233 HA 0.01 0.12 0.38 -0.75 4.63 4.39 2dh4B1 ASP 233 HB2 -0.00 -0.03 -0.02 -0.04 2.71 2.62 2dh4B1 ASP 233 HB3 0.02 0.02 -0.02 -0.04 2.70 2.68 2dh4B1 ILE 234 H -0.07 0.37 -0.31 -0.55 8.25 7.69 2dh4B1 ILE 234 HA -0.03 0.06 0.47 -0.75 4.18 3.92 2dh4B1 ILE 234 HB -0.13 0.20 0.17 -0.04 1.89 2.08 2dh4B1 ILE 234 HG12 -0.05 -0.01 -0.00 -0.04 1.49 1.39 2dh4B1 ILE 234 HG13 -0.08 -0.12 -0.00 -0.04 1.21 0.97 2dh4B1 ILE 234 HG23 -0.06 0.00 -0.13 -0.04 0.93 0.70 2dh4B1 ILE 234 HD13 -0.12 -0.01 0.03 -0.04 0.88 0.75 2dh4B1 THR 235 H -0.06 0.13 -0.05 -0.55 8.28 7.75 2dh4B1 THR 235 HA -0.03 0.05 0.33 -0.75 4.39 3.99 2dh4B1 THR 235 HB -0.03 0.03 0.14 -0.04 4.32 4.42 2dh4B1 THR 235 HG23 -0.02 -0.00 -0.24 -0.04 1.22 0.92 2dh4B1 GLU 236 H -0.01 0.30 -0.33 -0.55 8.60 8.02 2dh4B1 GLU 236 HA -0.00 0.14 0.40 -0.75 4.29 4.08 2dh4B1 GLU 236 HB2 0.01 0.03 0.06 -0.04 2.09 2.14 2dh4B1 GLU 236 HB3 0.01 -0.12 0.12 -0.04 1.99 1.96 2dh4B1 GLU 236 HG2 0.03 0.01 -0.08 -0.04 2.34 2.26 2dh4B1 GLU 236 HG3 0.01 0.12 0.10 -0.04 2.34 2.53 2dh4B1 GLY 237 H -0.00 0.30 -0.37 -0.55 8.43 7.81 2dh4B1 GLY 237 HA2 0.00 -0.03 0.39 -0.51 4.01 3.86 2dh4B1 GLY 237 HA3 0.01 0.19 0.61 -0.51 4.01 4.32 2dh4B1 LYS 238 H 0.03 0.30 -0.06 -0.55 8.42 8.14 2dh4B1 LYS 238 HA 0.10 0.09 0.23 -0.75 4.32 3.98 2dh4B1 LYS 238 HB2 0.06 0.07 0.08 -0.04 1.87 2.04 2dh4B1 LYS 238 HB3 0.06 -0.14 0.05 -0.04 1.79 1.72 2dh4B1 LYS 238 HG2 0.14 -0.13 -0.29 -0.04 1.46 1.13 2dh4B1 LYS 238 HG3 0.13 0.06 -0.08 -0.04 1.46 1.53 2dh4B1 LYS 238 HD2 0.07 0.10 -0.04 -0.04 1.69 1.77 2dh4B1 LYS 238 HD3 0.07 -0.10 -0.03 -0.04 1.68 1.58 2dh4B1 LYS 238 HE2 0.13 -0.10 -0.06 -0.04 2.99 2.91 2dh4B1 LYS 238 HE3 0.12 0.04 -0.08 -0.04 2.99 3.03 2dh4B1 LEU 239 H 0.20 0.20 0.07 -0.55 8.37 8.28 2dh4B1 LEU 239 HA 0.07 0.14 0.66 -0.75 4.35 4.47 2dh4B1 LEU 239 HB2 0.38 -0.02 0.19 -0.04 1.64 2.15 2dh4B1 LEU 239 HB3 0.12 -0.07 0.12 -0.04 1.64 1.76 2dh4B1 LEU 239 HG 0.08 -0.02 0.01 -0.04 1.64 1.67 2dh4B1 LEU 239 HD13 -0.04 0.00 -0.01 -0.04 0.93 0.83 2dh4B1 LEU 239 HD23 0.15 0.07 -0.17 -0.04 0.89 0.90 2dh4B1 SER 240 H 0.08 0.41 -0.27 -0.55 8.46 8.13 2dh4B1 SER 240 HA 0.28 0.14 0.43 -0.75 4.49 4.58 2dh4B1 SER 240 HB2 0.12 -0.03 0.09 -0.04 3.95 4.09 2dh4B1 SER 240 HB3 0.09 0.10 -0.01 -0.04 3.93 4.08 2dh4B1 PHE 241 H 0.16 0.16 0.12 -0.55 8.34 8.23 2dh4B1 PHE 241 HA -0.79 0.08 0.33 -0.75 4.62 3.49 2dh4B1 PHE 241 HB2 -0.40 0.03 0.14 -0.04 3.15 2.88 2dh4B1 PHE 241 HB3 -0.14 0.04 0.13 -0.04 3.06 3.05 2dh4B1 PHE 241 HD2 -0.46 0.02 -0.12 -0.04 7.28 6.67 2dh4B1 PHE 241 HE2 -0.33 0.02 -0.06 -0.04 7.38 6.97 2dh4B1 PHE 241 HZ -1.48 0.03 -0.03 -0.04 7.32 5.79 2dh4B1 PRO 242 HA 0.04 0.10 0.41 -0.51 4.44 4.47 2dh4B1 PRO 242 HB2 0.03 0.05 -0.10 -0.04 2.28 2.22 2dh4B1 PRO 242 HB3 0.08 0.01 -0.11 -0.04 2.02 1.96 2dh4B1 PRO 242 HG2 0.10 0.14 -0.10 -0.04 2.03 2.12 2dh4B1 PRO 242 HG3 0.24 0.06 -0.03 -0.04 2.03 2.26 2dh4B1 PRO 242 HD2 0.10 0.06 -0.12 -0.04 3.68 3.67 2dh4B1 PRO 242 HD3 0.23 0.08 0.06 -0.04 3.65 3.98 2dh4B1 ILE 243 H -0.02 0.12 -0.37 -0.55 8.25 7.43 2dh4B1 ILE 243 HA -0.04 0.02 0.42 -0.75 4.18 3.82 2dh4B1 ILE 243 HB -0.01 0.01 0.10 -0.04 1.89 1.95 2dh4B1 ILE 243 HG12 -0.00 -0.14 -0.03 -0.04 1.49 1.27 2dh4B1 ILE 243 HG13 -0.00 0.21 0.01 -0.04 1.21 1.39 2dh4B1 ILE 243 HG23 -0.04 0.05 -0.13 -0.04 0.93 0.77 2dh4B1 ILE 243 HD13 -0.03 -0.00 -0.05 -0.04 0.88 0.77 2dh4B1 VAL 244 H -0.17 0.66 -0.18 -0.55 8.24 8.01 2dh4B1 VAL 244 HA -0.17 0.09 0.36 -0.75 4.13 3.67 2dh4B1 VAL 244 HB -0.48 0.04 0.05 -0.04 2.12 1.70 2dh4B1 VAL 244 HG13 -0.26 0.06 -0.35 -0.04 0.97 0.37 2dh4B1 VAL 244 HG23 -0.10 0.05 -0.19 -0.04 0.95 0.66 2dh4B1 HIS 245 H -0.31 0.56 -0.13 -0.55 8.41 7.99 2dh4B1 HIS 245 HA -0.36 -0.02 0.41 -0.75 4.63 3.90 2dh4B1 HIS 245 HB2 -0.58 -0.01 0.10 -0.04 3.26 2.73 2dh4B1 HIS 245 HB3 -0.29 0.10 0.17 -0.04 3.20 3.13 2dh4B1 HIS 245 HD2 -1.30 -0.03 -0.00 -0.04 6.97 5.59 2dh4B1 HIS 245 HE1 -0.43 0.38 -0.10 -0.04 7.75 7.55 2dh4B1 ALA 246 H -0.05 0.53 -0.16 -0.55 8.40 8.17 2dh4B1 ALA 246 HA -0.11 -0.01 0.40 -0.75 4.34 3.87 2dh4B1 ALA 246 HB3 -0.03 0.01 0.08 -0.04 1.41 1.42 2dh4B1 LEU 247 H -0.09 0.71 -0.05 -0.55 8.37 8.39 2dh4B1 LEU 247 HA -0.01 0.00 0.48 -0.75 4.35 4.06 2dh4B1 LEU 247 HB2 -0.09 0.10 0.13 -0.04 1.64 1.74 2dh4B1 LEU 247 HB3 -0.03 -0.03 0.00 -0.04 1.64 1.54 2dh4B1 LEU 247 HG -0.11 0.04 0.05 -0.04 1.64 1.58 2dh4B1 LEU 247 HD13 -0.10 0.00 -0.06 -0.04 0.93 0.73 2dh4B1 LEU 247 HD23 -0.32 -0.02 0.01 -0.04 0.89 0.52 2dh4B1 ASN 248 H -0.13 0.56 -0.18 -0.55 8.53 8.24 2dh4B1 ASN 248 HA -0.07 0.06 0.58 -0.75 4.76 4.57 2dh4B1 ASN 248 HB2 -0.20 0.08 0.16 -0.04 2.88 2.88 2dh4B1 ASN 248 HB3 -0.14 -0.08 0.07 -0.04 2.79 2.60 2dh4B1 ASN 248 HD21 -0.17 0.50 0.15 -0.04 7.03 7.47 2dh4B1 ASN 248 HD22 -0.19 0.20 0.01 -0.04 7.74 7.71 2dh4B1 PHE 249 H -0.14 0.73 0.01 -0.55 8.34 8.39 2dh4B1 PHE 249 HA -0.24 -0.01 0.42 -0.75 4.62 4.04 2dh4B1 PHE 249 HB2 -0.75 0.03 0.10 -0.04 3.15 2.49 2dh4B1 PHE 249 HB3 -0.29 0.02 0.17 -0.04 3.06 2.92 2dh4B1 PHE 249 HD2 -0.15 -0.03 -0.19 -0.04 7.28 6.87 2dh4B1 PHE 249 HE2 -0.00 -0.01 -0.02 -0.04 7.38 7.31 2dh4B1 PHE 249 HZ 0.00 0.01 0.02 -0.04 7.32 7.31 2dh4B1 THR 250 H 0.13 0.68 -0.14 -0.55 8.28 8.40 2dh4B1 THR 250 HA 0.09 -0.00 0.46 -0.75 4.39 4.19 2dh4B1 THR 250 HB 0.14 0.01 0.01 -0.04 4.32 4.43 2dh4B1 THR 250 HG23 0.15 -0.01 -0.08 -0.04 1.22 1.24 2dh4B1 LYS 251 H -0.00 0.46 -0.24 -0.55 8.42 8.09 2dh4B1 LYS 251 HA -0.29 -0.01 0.35 -0.75 4.32 3.61 2dh4B1 LYS 251 HB2 -0.30 0.03 0.13 -0.04 1.87 1.69 2dh4B1 LYS 251 HB3 -0.12 0.08 0.24 -0.04 1.79 1.96 2dh4B1 LYS 251 HG2 -0.13 -0.00 -0.14 -0.04 1.46 1.14 2dh4B1 LYS 251 HG3 -0.18 -0.04 -0.07 -0.04 1.46 1.12 2dh4B1 LYS 251 HD2 -0.11 -0.03 -0.02 -0.04 1.69 1.49 2dh4B1 LYS 251 HD3 -0.17 0.01 0.00 -0.04 1.68 1.47 2dh4B1 LYS 251 HE2 -0.09 -0.01 0.03 -0.04 2.99 2.87 2dh4B1 LYS 251 HE3 -0.07 -0.03 -0.01 -0.04 2.99 2.84 2dh4B1 THR 252 H -0.17 0.61 -0.06 -0.55 8.28 8.12 2dh4B1 THR 252 HA -0.15 -0.01 0.35 -0.75 4.39 3.83 2dh4B1 THR 252 HB -0.31 0.12 0.19 -0.04 4.32 4.28 2dh4B1 THR 252 HG23 -0.21 -0.02 -0.13 -0.04 1.22 0.81 2dh4B1 LYS 253 H -0.29 0.47 -0.23 -0.55 8.42 7.82 2dh4B1 LYS 253 HA -0.18 0.14 0.74 -0.75 4.32 4.26 2dh4B1 LYS 253 HB2 -0.28 -0.00 0.12 -0.04 1.87 1.67 2dh4B1 LYS 253 HB3 -0.18 -0.05 0.17 -0.04 1.79 1.69 2dh4B1 LYS 253 HG2 -0.47 -0.07 -0.15 -0.04 1.46 0.73 2dh4B1 LYS 253 HG3 -1.29 0.11 0.06 -0.04 1.46 0.31 2dh4B1 LYS 253 HD2 -0.37 0.00 0.02 -0.04 1.69 1.31 2dh4B1 LYS 253 HD3 -0.20 -0.02 0.04 -0.04 1.68 1.47 2dh4B1 LYS 253 HE2 -0.39 -0.01 -0.01 -0.04 2.99 2.54 2dh4B1 LYS 253 HE3 -0.11 -0.02 0.00 -0.04 2.99 2.81 2dh4B1 GLY 254 H -0.13 0.55 -0.50 -0.55 8.43 7.81 2dh4B1 GLY 254 HA2 -0.09 0.07 0.33 -0.51 4.01 3.80 2dh4B1 GLY 254 HA3 -0.07 0.02 0.47 -0.51 4.01 3.92 2dh4B1 GLN 255 H -0.05 0.31 -0.29 -0.55 8.47 7.90 2dh4B1 GLN 255 HA 0.01 0.07 0.58 -0.75 4.36 4.25 2dh4B1 GLN 255 HB2 0.06 -0.05 0.22 -0.04 2.15 2.34 2dh4B1 GLN 255 HB3 0.05 -0.12 0.12 -0.04 2.02 2.04 2dh4B1 GLN 255 HG2 0.02 0.07 -0.03 -0.04 2.40 2.42 2dh4B1 GLN 255 HG3 -0.01 0.06 -0.04 -0.04 2.39 2.36 2dh4B1 GLN 255 HE21 0.19 0.08 0.02 -0.04 6.97 7.22 2dh4B1 GLN 255 HE22 0.08 0.03 0.02 -0.04 7.69 7.78 2dh4B1 THR 256 H -0.01 0.58 0.15 -0.55 8.28 8.45 2dh4B1 THR 256 HA 0.01 0.09 0.32 -0.75 4.39 4.05 2dh4B1 THR 256 HB -0.00 -0.03 0.15 -0.04 4.32 4.40 2dh4B1 THR 256 HG23 0.00 0.00 -0.06 -0.04 1.22 1.12 2dh4B1 GLU 257 H 0.02 0.13 -0.09 -0.55 8.60 8.11 2dh4B1 GLU 257 HA 0.03 0.13 0.36 -0.75 4.29 4.06 2dh4B1 GLU 257 HB2 0.02 0.04 0.08 -0.04 2.09 2.19 2dh4B1 GLU 257 HB3 0.02 -0.01 0.06 -0.04 1.99 2.01 2dh4B1 GLU 257 HG2 0.01 0.03 -0.02 -0.04 2.34 2.32 2dh4B1 GLU 257 HG3 0.02 -0.01 -0.19 -0.04 2.34 2.12 2dh4B1 GLN 258 H 0.05 0.10 -0.20 -0.55 8.47 7.87 2dh4B1 GLN 258 HA 0.03 0.04 0.43 -0.75 4.36 4.11 2dh4B1 GLN 258 HB2 0.07 0.08 0.08 -0.04 2.15 2.34 2dh4B1 GLN 258 HB3 0.06 0.01 -0.05 -0.04 2.02 1.99 2dh4B1 GLN 258 HG2 0.05 0.02 0.02 -0.04 2.40 2.46 2dh4B1 GLN 258 HG3 0.04 -0.01 0.01 -0.04 2.39 2.39 2dh4B1 GLN 258 HE21 0.05 0.03 0.02 -0.04 6.97 7.02 2dh4B1 GLN 258 HE22 0.06 0.02 0.01 -0.04 7.69 7.74 2dh4B1 HIS 259 H 0.13 0.61 -0.18 -0.55 8.41 8.43 2dh4B1 HIS 259 HA -0.01 0.01 0.40 -0.75 4.63 4.27 2dh4B1 HIS 259 HB2 -0.02 0.01 -0.08 -0.04 3.26 3.13 2dh4B1 HIS 259 HB3 -0.01 0.09 0.09 -0.04 3.20 3.33 2dh4B1 HIS 259 HD2 -0.02 0.01 -0.15 -0.04 6.97 6.76 2dh4B1 HIS 259 HE1 -0.06 0.01 -0.01 -0.04 7.75 7.65 2dh4B1 ASN 260 H 0.10 0.52 -0.17 -0.55 8.53 8.44 2dh4B1 ASN 260 HA -0.03 0.03 0.38 -0.75 4.76 4.39 2dh4B1 ASN 260 HB2 0.04 0.07 0.16 -0.04 2.88 3.11 2dh4B1 ASN 260 HB3 0.02 -0.04 0.04 -0.04 2.79 2.77 2dh4B1 ASN 260 HD21 0.04 -0.03 -0.01 -0.04 7.03 7.00 2dh4B1 ASN 260 HD22 0.03 -0.04 -0.01 -0.04 7.74 7.68 2dh4B1 GLU 261 H 0.01 0.53 -0.13 -0.55 8.60 8.46 2dh4B1 GLU 261 HA -0.01 0.01 0.43 -0.75 4.29 3.97 2dh4B1 GLU 261 HB2 0.01 0.09 0.12 -0.04 2.09 2.27 2dh4B1 GLU 261 HB3 0.01 0.03 0.13 -0.04 1.99 2.11 2dh4B1 GLU 261 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.26 2dh4B1 GLU 261 HG3 0.01 -0.02 -0.10 -0.04 2.34 2.19 2dh4B1 ILE 262 H -0.04 0.61 -0.08 -0.55 8.25 8.19 2dh4B1 ILE 262 HA -0.03 -0.05 0.44 -0.75 4.18 3.78 2dh4B1 ILE 262 HB -0.13 0.24 0.18 -0.04 1.89 2.14 2dh4B1 ILE 262 HG12 -0.03 -0.09 0.02 -0.04 1.49 1.35 2dh4B1 ILE 262 HG13 -0.02 0.00 0.07 -0.04 1.21 1.22 2dh4B1 ILE 262 HG23 -0.08 -0.02 -0.14 -0.04 0.93 0.66 2dh4B1 ILE 262 HD13 -0.02 -0.03 -0.16 -0.04 0.88 0.63 2dh4B1 LEU 263 H -0.13 0.43 -0.15 -0.55 8.37 7.97 2dh4B1 LEU 263 HA -0.08 0.03 0.42 -0.75 4.35 3.97 2dh4B1 LEU 263 HB2 -0.09 0.08 0.15 -0.04 1.64 1.74 2dh4B1 LEU 263 HB3 -0.06 0.01 -0.02 -0.04 1.64 1.53 2dh4B1 LEU 263 HG -0.32 0.02 0.05 -0.04 1.64 1.35 2dh4B1 LEU 263 HD13 -0.13 -0.02 -0.05 -0.04 0.93 0.69 2dh4B1 LEU 263 HD23 -0.09 -0.00 -0.00 -0.04 0.89 0.75 2dh4B1 ARG 264 H -0.04 0.59 -0.10 -0.55 8.46 8.36 2dh4B1 ARG 264 HA -0.02 0.04 0.41 -0.75 4.34 4.02 2dh4B1 ARG 264 HB2 -0.01 0.05 0.20 -0.04 1.90 2.10 2dh4B1 ARG 264 HB3 -0.01 -0.07 -0.01 -0.04 1.80 1.68 2dh4B1 ARG 264 HG2 -0.01 -0.03 0.02 -0.04 1.67 1.62 2dh4B1 ARG 264 HG3 -0.01 0.09 0.06 -0.04 1.67 1.77 2dh4B1 ARG 264 HD2 -0.00 -0.03 -0.15 -0.04 3.22 2.99 2dh4B1 ARG 264 HD3 -0.00 -0.05 -0.03 -0.04 3.22 3.10 2dh4B1 ILE 265 H -0.02 0.55 -0.15 -0.55 8.25 8.08 2dh4B1 ILE 265 HA -0.01 -0.02 0.48 -0.75 4.18 3.87 2dh4B1 ILE 265 HB -0.02 0.08 0.19 -0.04 1.89 2.11 2dh4B1 ILE 265 HG12 -0.00 -0.08 0.01 -0.04 1.49 1.38 2dh4B1 ILE 265 HG13 -0.01 0.19 0.08 -0.04 1.21 1.44 2dh4B1 ILE 265 HG23 -0.01 -0.03 -0.12 -0.04 0.93 0.73 2dh4B1 ILE 265 HD13 0.00 -0.02 -0.06 -0.04 0.88 0.76 2dh4B1 LEU 266 H -0.03 0.56 0.01 -0.55 8.37 8.37 2dh4B1 LEU 266 HA -0.02 0.02 0.47 -0.75 4.35 4.07 2dh4B1 LEU 266 HB2 -0.03 0.09 0.16 -0.04 1.64 1.83 2dh4B1 LEU 266 HB3 -0.01 0.07 0.06 -0.04 1.64 1.73 2dh4B1 LEU 266 HG -0.03 0.09 0.11 -0.04 1.64 1.77 2dh4B1 LEU 266 HD13 -0.04 -0.02 -0.08 -0.04 0.93 0.75 2dh4B1 LEU 266 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.79 2dh4B1 LEU 267 H -0.02 0.53 -0.24 -0.55 8.37 8.09 2dh4B1 LEU 267 HA -0.01 0.12 0.47 -0.75 4.35 4.17 2dh4B1 LEU 267 HB2 -0.02 0.02 0.11 -0.04 1.64 1.71 2dh4B1 LEU 267 HB3 -0.02 -0.07 0.05 -0.04 1.64 1.57 2dh4B1 LEU 267 HG -0.02 0.02 0.01 -0.04 1.64 1.61 2dh4B1 LEU 267 HD13 -0.01 -0.06 -0.12 -0.04 0.93 0.70 2dh4B1 LEU 267 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 2dh4B1 LEU 268 H -0.01 0.35 -0.34 -0.55 8.37 7.82 2dh4B1 LEU 268 HA -0.01 0.01 0.54 -0.75 4.35 4.14 2dh4B1 LEU 268 HB2 -0.01 0.17 0.17 -0.04 1.64 1.93 2dh4B1 LEU 268 HB3 -0.01 -0.15 -0.03 -0.04 1.64 1.41 2dh4B1 LEU 268 HG -0.01 0.29 0.07 -0.04 1.64 1.94 2dh4B1 LEU 268 HD13 -0.00 -0.06 0.02 -0.04 0.93 0.84 2dh4B1 LEU 268 HD23 -0.00 -0.03 0.02 -0.04 0.89 0.84 2dh4B1 ARG 269 H -0.01 0.42 -0.22 -0.55 8.46 8.09 2dh4B1 ARG 269 HA -0.01 0.36 0.41 -0.75 4.34 4.34 2dh4B1 ARG 269 HB2 -0.01 0.06 0.25 -0.04 1.90 2.15 2dh4B1 ARG 269 HB3 -0.01 -0.05 0.23 -0.04 1.80 1.93 2dh4B1 ARG 269 HG2 -0.02 0.11 -0.32 -0.04 1.67 1.40 2dh4B1 ARG 269 HG3 -0.02 -0.11 -0.02 -0.04 1.67 1.48 2dh4B1 ARG 269 HD2 -0.01 0.07 0.04 -0.04 3.22 3.28 2dh4B1 ARG 269 HD3 -0.01 0.17 0.01 -0.04 3.22 3.36 2dh4B1 THR 270 H -0.02 0.13 -0.08 -0.55 8.28 7.77 2dh4B1 THR 270 HA -0.01 0.17 0.64 -0.75 4.39 4.45 2dh4B1 THR 270 HB -0.01 0.11 -0.03 -0.04 4.32 4.35 2dh4B1 THR 270 HG23 -0.02 0.01 -0.12 -0.04 1.22 1.05 2dh4B1 SER 271 H 0.00 0.14 0.18 -0.55 8.46 8.24 2dh4B1 SER 271 HA -0.00 0.22 0.78 -0.75 4.49 4.73 2dh4B1 SER 271 HB2 0.01 -0.01 0.07 -0.04 3.95 3.98 2dh4B1 SER 271 HB3 0.02 -0.04 0.17 -0.04 3.93 4.04 2dh4B1 ASP 272 H 0.01 0.06 -0.03 -0.55 8.40 7.89 2dh4B1 ASP 272 HA 0.04 0.11 0.66 -0.75 4.63 4.69 2dh4B1 ASP 272 HB2 0.02 0.10 0.14 -0.04 2.71 2.93 2dh4B1 ASP 272 HB3 0.02 -0.01 0.18 -0.04 2.70 2.85 2dh4B1 LYS 273 H 0.09 0.27 0.25 -0.55 8.42 8.48 2dh4B1 LYS 273 HA 0.25 0.13 0.35 -0.75 4.32 4.29 2dh4B1 LYS 273 HB2 0.24 0.13 0.16 -0.04 1.87 2.35 2dh4B1 LYS 273 HB3 0.11 -0.01 0.22 -0.04 1.79 2.07 2dh4B1 LYS 273 HG2 0.06 -0.03 -0.07 -0.04 1.46 1.38 2dh4B1 LYS 273 HG3 0.13 -0.05 -0.32 -0.04 1.46 1.18 2dh4B1 LYS 273 HD2 -0.02 0.06 0.06 -0.04 1.69 1.75 2dh4B1 LYS 273 HD3 0.01 0.03 0.05 -0.04 1.68 1.73 2dh4B1 LYS 273 HE2 -0.05 0.00 -0.00 -0.04 2.99 2.90 2dh4B1 LYS 273 HE3 -0.06 -0.03 -0.05 -0.04 2.99 2.81 2dh4B1 ASP 274 H 0.07 0.09 -0.19 -0.55 8.40 7.82 2dh4B1 ASP 274 HA 0.07 0.10 0.35 -0.75 4.63 4.40 2dh4B1 ASP 274 HB2 0.04 -0.04 0.06 -0.04 2.71 2.73 2dh4B1 ASP 274 HB3 0.04 0.05 -0.03 -0.04 2.70 2.72 2dh4B1 ILE 275 H 0.04 0.11 -0.17 -0.55 8.25 7.68 2dh4B1 ILE 275 HA 0.03 0.06 0.51 -0.75 4.18 4.03 2dh4B1 ILE 275 HB 0.02 0.09 0.09 -0.04 1.89 2.04 2dh4B1 ILE 275 HG12 0.02 0.02 0.01 -0.04 1.49 1.50 2dh4B1 ILE 275 HG13 0.02 -0.12 0.05 -0.04 1.21 1.12 2dh4B1 ILE 275 HG23 0.01 0.02 -0.03 -0.04 0.93 0.88 2dh4B1 ILE 275 HD13 0.01 0.02 0.03 -0.04 0.88 0.89 2dh4B1 LYS 276 H 0.04 0.53 -0.18 -0.55 8.42 8.27 2dh4B1 LYS 276 HA -0.03 0.03 0.40 -0.75 4.32 3.98 2dh4B1 LYS 276 HB2 -0.04 0.07 0.07 -0.04 1.87 1.93 2dh4B1 LYS 276 HB3 -0.37 -0.04 -0.02 -0.04 1.79 1.32 2dh4B1 LYS 276 HG2 -0.17 -0.03 -0.02 -0.04 1.46 1.20 2dh4B1 LYS 276 HG3 -0.06 -0.06 -0.13 -0.04 1.46 1.17 2dh4B1 LYS 276 HD2 -0.09 0.15 -0.17 -0.04 1.69 1.54 2dh4B1 LYS 276 HD3 -0.07 -0.08 -0.49 -0.04 1.68 1.00 2dh4B1 LYS 276 HE2 -0.86 -0.11 -0.02 -0.04 2.99 1.95 2dh4B1 LYS 276 HE3 -0.31 0.07 0.05 -0.04 2.99 2.75 2dh4B1 LEU 277 H 0.21 0.65 -0.09 -0.55 8.37 8.59 2dh4B1 LEU 277 HA 0.24 -0.01 0.38 -0.75 4.35 4.20 2dh4B1 LEU 277 HB2 0.10 0.14 0.15 -0.04 1.64 1.99 2dh4B1 LEU 277 HB3 0.07 -0.06 0.01 -0.04 1.64 1.63 2dh4B1 LEU 277 HG 0.27 0.21 0.08 -0.04 1.64 2.16 2dh4B1 LEU 277 HD13 -0.01 -0.04 -0.07 -0.04 0.93 0.77 2dh4B1 LEU 277 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 2dh4B1 LYS 278 H 0.07 0.42 -0.41 -0.55 8.42 7.95 2dh4B1 LYS 278 HA 0.06 -0.01 0.43 -0.75 4.32 4.04 2dh4B1 LYS 278 HB2 0.04 0.00 0.12 -0.04 1.87 1.99 2dh4B1 LYS 278 HB3 0.03 0.22 0.24 -0.04 1.79 2.24 2dh4B1 LYS 278 HG2 0.02 0.01 -0.20 -0.04 1.46 1.26 2dh4B1 LYS 278 HG3 0.03 -0.08 0.02 -0.04 1.46 1.40 2dh4B1 LYS 278 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 2dh4B1 LYS 278 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 2dh4B1 LYS 278 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 2dh4B1 LYS 278 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.94 2dh4B1 LEU 279 H 0.03 0.50 -0.12 -0.55 8.37 8.23 2dh4B1 LEU 279 HA 0.01 0.01 0.47 -0.75 4.35 4.09 2dh4B1 LEU 279 HB2 -0.00 0.05 0.12 -0.04 1.64 1.76 2dh4B1 LEU 279 HB3 -0.00 0.14 0.17 -0.04 1.64 1.91 2dh4B1 LEU 279 HG -0.01 -0.08 -0.17 -0.04 1.64 1.34 2dh4B1 LEU 279 HD13 -0.02 -0.02 0.08 -0.04 0.93 0.93 2dh4B1 LEU 279 HD23 -0.03 0.01 -0.00 -0.04 0.89 0.83 2dh4B1 ILE 280 H 0.06 0.60 -0.11 -0.55 8.25 8.24 2dh4B1 ILE 280 HA 0.01 -0.06 0.40 -0.75 4.18 3.77 2dh4B1 ILE 280 HB 0.12 0.12 0.17 -0.04 1.89 2.25 2dh4B1 ILE 280 HG12 0.03 -0.10 0.01 -0.04 1.49 1.39 2dh4B1 ILE 280 HG13 0.04 0.02 0.02 -0.04 1.21 1.25 2dh4B1 ILE 280 HG23 0.02 -0.02 -0.12 -0.04 0.93 0.77 2dh4B1 ILE 280 HD13 0.27 -0.00 -0.07 -0.04 0.88 1.05 2dh4B1 GLN 281 H 0.07 0.63 -0.23 -0.55 8.47 8.40 2dh4B1 GLN 281 HA 0.03 0.02 0.53 -0.75 4.36 4.19 2dh4B1 GLN 281 HB2 0.40 -0.06 0.11 -0.04 2.15 2.56 2dh4B1 GLN 281 HB3 0.16 0.07 0.10 -0.04 2.02 2.31 2dh4B1 GLN 281 HG2 0.09 0.12 0.20 -0.04 2.40 2.76 2dh4B1 GLN 281 HG3 0.12 -0.01 -0.06 -0.04 2.39 2.41 2dh4B1 GLN 281 HE21 0.05 -0.02 -0.02 -0.04 6.97 6.95 2dh4B1 GLN 281 HE22 0.13 0.02 -0.01 -0.04 7.69 7.79 2dh4B1 ILE 282 H 0.05 0.49 -0.21 -0.55 8.25 8.03 2dh4B1 ILE 282 HA 0.08 0.02 0.47 -0.75 4.18 3.99 2dh4B1 ILE 282 HB 0.02 0.19 0.21 -0.04 1.89 2.27 2dh4B1 ILE 282 HG12 0.04 -0.07 0.06 -0.04 1.49 1.48 2dh4B1 ILE 282 HG13 0.04 0.17 0.10 -0.04 1.21 1.48 2dh4B1 ILE 282 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.77 2dh4B1 ILE 282 HD13 0.02 -0.00 -0.02 -0.04 0.88 0.84 2dh4B1 LEU 283 H -0.00 0.59 -0.12 -0.55 8.37 8.30 2dh4B1 LEU 283 HA -0.05 -0.04 0.46 -0.75 4.35 3.96 2dh4B1 LEU 283 HB2 -0.02 0.19 0.16 -0.04 1.64 1.93 2dh4B1 LEU 283 HB3 -0.03 -0.15 -0.02 -0.04 1.64 1.39 2dh4B1 LEU 283 HG -0.01 -0.05 -0.02 -0.04 1.64 1.51 2dh4B1 LEU 283 HD13 -0.02 0.05 -0.05 -0.04 0.93 0.87 2dh4B1 LEU 283 HD23 -0.01 -0.01 -0.15 -0.04 0.89 0.69 2dh4B1 GLU 284 H -0.09 0.57 -0.16 -0.55 8.60 8.37 2dh4B1 GLU 284 HA -0.18 -0.07 0.63 -0.75 4.29 3.92 2dh4B1 GLU 284 HB2 -0.22 0.06 0.10 -0.04 2.09 1.98 2dh4B1 GLU 284 HB3 -0.61 0.06 0.14 -0.04 1.99 1.54 2dh4B1 GLU 284 HG2 -0.36 0.03 -0.01 -0.04 2.34 1.96 2dh4B1 GLU 284 HG3 -0.72 0.04 -0.07 -0.04 2.34 1.55 2dh4B1 PHE 285 H -0.01 0.77 0.10 -0.55 8.34 8.65 2dh4B1 PHE 285 HA -0.01 0.21 0.85 -0.75 4.62 4.92 2dh4B1 PHE 285 HB2 -0.00 0.06 0.11 -0.04 3.15 3.27 2dh4B1 PHE 285 HB3 -0.00 -0.01 0.03 -0.04 3.06 3.04 2dh4B1 PHE 285 HD2 -0.00 0.05 0.05 -0.04 7.28 7.34 2dh4B1 PHE 285 HE2 -0.00 -0.00 -0.00 -0.04 7.38 7.33 2dh4B1 PHE 285 HZ -0.00 0.00 -0.01 -0.04 7.32 7.26 2dh4B1 ASP 286 H 0.07 0.39 0.15 -0.55 8.40 8.45 2dh4B1 ASP 286 HA 0.07 0.19 0.85 -0.75 4.63 4.99 2dh4B1 ASP 286 HB2 0.07 -0.05 0.12 -0.04 2.71 2.81 2dh4B1 ASP 286 HB3 0.03 0.10 0.22 -0.04 2.70 3.01 2dh4B1 THR 287 H -0.11 0.35 0.14 -0.55 8.28 8.11 2dh4B1 THR 287 HA -1.02 0.26 0.81 -0.75 4.39 3.69 2dh4B1 THR 287 HB -0.46 -0.01 0.05 -0.04 4.32 3.87 2dh4B1 THR 287 HG23 -0.03 0.02 -0.08 -0.04 1.22 1.08 2dh4B1 ASN 288 H -0.14 0.13 -0.27 -0.55 8.53 7.70 2dh4B1 ASN 288 HA -0.09 0.15 0.39 -0.75 4.76 4.45 2dh4B1 ASN 288 HB2 -0.09 0.08 -0.28 -0.04 2.88 2.56 2dh4B1 ASN 288 HB3 -0.07 0.08 0.15 -0.04 2.79 2.91 2dh4B1 ASN 288 HD21 0.01 -0.02 0.03 -0.04 7.03 7.00 2dh4B1 ASN 288 HD22 0.02 0.05 0.02 -0.04 7.74 7.79 2dh4B1 SER 289 H -0.07 0.28 -0.11 -0.55 8.46 8.01 2dh4B1 SER 289 HA -0.32 0.12 0.34 -0.75 4.49 3.88 2dh4B1 SER 289 HB2 0.00 -0.05 0.03 -0.04 3.95 3.90 2dh4B1 SER 289 HB3 0.03 0.01 0.10 -0.04 3.93 4.03 2dh4B1 LEU 290 H -0.01 0.23 -0.19 -0.55 8.37 7.85 2dh4B1 LEU 290 HA 0.17 0.07 0.53 -0.75 4.35 4.37 2dh4B1 LEU 290 HB2 0.00 0.04 0.02 -0.04 1.64 1.66 2dh4B1 LEU 290 HB3 0.10 0.03 -0.00 -0.04 1.64 1.73 2dh4B1 LEU 290 HG -0.03 -0.03 -0.11 -0.04 1.64 1.43 2dh4B1 LEU 290 HD13 -0.08 0.02 -0.06 -0.04 0.93 0.77 2dh4B1 LEU 290 HD23 -0.04 -0.00 -0.06 -0.04 0.89 0.75 2dh4B1 ALA 291 H 0.01 0.19 -0.16 -0.55 8.40 7.89 2dh4B1 ALA 291 HA 0.01 0.06 0.42 -0.75 4.34 4.08 2dh4B1 ALA 291 HB3 -0.00 0.05 0.07 -0.04 1.41 1.49 2dh4B1 TYR 292 H 0.05 0.54 -0.09 -0.55 8.29 8.24 2dh4B1 TYR 292 HA -0.05 0.04 0.39 -0.75 4.56 4.18 2dh4B1 TYR 292 HB2 -0.29 0.14 0.12 -0.04 3.06 2.99 2dh4B1 TYR 292 HB3 -0.48 0.02 0.16 -0.04 2.98 2.64 2dh4B1 TYR 292 HD2 -0.11 0.03 -0.11 -0.04 7.15 6.93 2dh4B1 TYR 292 HE2 -0.00 -0.01 -0.04 -0.04 6.85 6.75 2dh4B1 THR 293 H 0.11 0.48 -0.38 -0.55 8.28 7.94 2dh4B1 THR 293 HA 0.11 0.01 0.38 -0.75 4.39 4.13 2dh4B1 THR 293 HB 0.24 0.11 0.17 -0.04 4.32 4.79 2dh4B1 THR 293 HG23 -0.03 -0.03 -0.10 -0.04 1.22 1.02 2dh4B1 LYS 294 H -0.11 0.60 -0.07 -0.55 8.42 8.29 2dh4B1 LYS 294 HA -0.63 -0.01 0.45 -0.75 4.32 3.37 2dh4B1 LYS 294 HB2 -0.22 0.04 0.15 -0.04 1.87 1.80 2dh4B1 LYS 294 HB3 -0.12 0.13 0.20 -0.04 1.79 1.96 2dh4B1 LYS 294 HG2 -0.16 -0.02 -0.15 -0.04 1.46 1.08 2dh4B1 LYS 294 HG3 -0.28 -0.03 0.04 -0.04 1.46 1.15 2dh4B1 LYS 294 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 2dh4B1 LYS 294 HD3 -0.04 0.01 -0.01 -0.04 1.68 1.60 2dh4B1 LYS 294 HE2 -0.06 -0.00 -0.05 -0.04 2.99 2.84 2dh4B1 LYS 294 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2dh4B1 ASN 295 H -0.14 0.69 -0.22 -0.55 8.53 8.31 2dh4B1 ASN 295 HA -0.13 0.01 0.37 -0.75 4.76 4.26 2dh4B1 ASN 295 HB2 -0.09 0.00 0.07 -0.04 2.88 2.82 2dh4B1 ASN 295 HB3 -0.17 0.13 0.13 -0.04 2.79 2.84 2dh4B1 ASN 295 HD21 -0.06 -0.01 -0.02 -0.04 7.03 6.90 2dh4B1 ASN 295 HD22 -0.06 -0.00 0.00 -0.04 7.74 7.64 2dh4B1 PHE 296 H -0.14 0.51 -0.15 -0.55 8.34 8.01 2dh4B1 PHE 296 HA -0.22 0.01 0.43 -0.75 4.62 4.08 2dh4B1 PHE 296 HB2 -0.43 0.12 0.14 -0.04 3.15 2.93 2dh4B1 PHE 296 HB3 -0.36 0.05 0.15 -0.04 3.06 2.86 2dh4B1 PHE 296 HD2 -0.28 0.02 -0.09 -0.04 7.28 6.89 2dh4B1 PHE 296 HE2 0.03 -0.01 -0.04 -0.04 7.38 7.32 2dh4B1 PHE 296 HZ 0.14 -0.01 -0.04 -0.04 7.32 7.37 2dh4B1 ILE 297 H -0.15 0.63 -0.18 -0.55 8.25 8.00 2dh4B1 ILE 297 HA -0.16 -0.02 0.38 -0.75 4.18 3.64 2dh4B1 ILE 297 HB -0.26 0.16 0.21 -0.04 1.89 1.96 2dh4B1 ILE 297 HG12 -0.18 -0.05 0.01 -0.04 1.49 1.23 2dh4B1 ILE 297 HG13 -0.23 0.11 0.06 -0.04 1.21 1.11 2dh4B1 ILE 297 HG23 -0.16 -0.02 -0.07 -0.04 0.93 0.64 2dh4B1 ILE 297 HD13 -0.31 -0.02 -0.15 -0.04 0.88 0.37 2dh4B1 ASN 298 H -0.17 0.61 -0.08 -0.55 8.53 8.34 2dh4B1 ASN 298 HA -0.11 -0.03 0.33 -0.75 4.76 4.20 2dh4B1 ASN 298 HB2 -0.12 0.13 0.14 -0.04 2.88 2.98 2dh4B1 ASN 298 HB3 -0.09 -0.05 0.01 -0.04 2.79 2.62 2dh4B1 ASN 298 HD21 -0.09 -0.04 -0.03 -0.04 7.03 6.82 2dh4B1 ASN 298 HD22 -0.09 -0.02 -0.04 -0.04 7.74 7.56 2dh4B1 GLN 299 H -0.20 0.52 -0.31 -0.55 8.47 7.94 2dh4B1 GLN 299 HA -0.12 0.01 0.44 -0.75 4.36 3.93 2dh4B1 GLN 299 HB2 -0.36 0.15 0.17 -0.04 2.15 2.06 2dh4B1 GLN 299 HB3 -0.23 -0.06 0.01 -0.04 2.02 1.70 2dh4B1 GLN 299 HG2 -0.11 -0.05 0.02 -0.04 2.40 2.21 2dh4B1 GLN 299 HG3 -0.14 0.15 0.06 -0.04 2.39 2.41 2dh4B1 GLN 299 HE21 -0.05 -0.02 -0.03 -0.04 6.97 6.82 2dh4B1 GLN 299 HE22 -0.07 -0.01 -0.02 -0.04 7.69 7.55 2dh4B1 LEU 300 H -0.27 0.51 -0.17 -0.55 8.37 7.89 2dh4B1 LEU 300 HA -0.20 -0.00 0.38 -0.75 4.35 3.78 2dh4B1 LEU 300 HB2 -0.18 0.16 0.25 -0.04 1.64 1.82 2dh4B1 LEU 300 HB3 -0.16 -0.05 0.03 -0.04 1.64 1.41 2dh4B1 LEU 300 HG -0.53 0.20 0.07 -0.04 1.64 1.34 2dh4B1 LEU 300 HD13 -0.03 -0.04 -0.08 -0.04 0.93 0.73 2dh4B1 LEU 300 HD23 -0.22 -0.02 -0.01 -0.04 0.89 0.59 2dh4B1 VAL 301 H -0.12 0.64 -0.00 -0.55 8.24 8.20 2dh4B1 VAL 301 HA -0.05 -0.00 0.35 -0.75 4.13 3.67 2dh4B1 VAL 301 HB -0.07 0.11 0.12 -0.04 2.12 2.23 2dh4B1 VAL 301 HG13 -0.02 -0.02 -0.11 -0.04 0.97 0.77 2dh4B1 VAL 301 HG23 -0.09 0.05 0.01 -0.04 0.95 0.87 2dh4B1 ASN 302 H -0.07 0.73 -0.24 -0.55 8.53 8.40 2dh4B1 ASN 302 HA -0.01 -0.05 0.33 -0.75 4.76 4.27 2dh4B1 ASN 302 HB2 -0.06 0.18 0.13 -0.04 2.88 3.10 2dh4B1 ASN 302 HB3 -0.02 -0.07 -0.05 -0.04 2.79 2.60 2dh4B1 ASN 302 HD21 -0.05 -0.07 -0.10 -0.04 7.03 6.77 2dh4B1 ASN 302 HD22 -0.06 -0.02 -0.04 -0.04 7.74 7.57 2dh4B1 MET 303 H -0.04 0.51 -0.34 -0.55 8.47 8.06 2dh4B1 MET 303 HA 0.06 -0.01 0.30 -0.75 4.52 4.12 2dh4B1 MET 303 HB2 -0.04 0.31 0.16 -0.04 2.15 2.54 2dh4B1 MET 303 HB3 0.11 -0.10 0.01 -0.04 2.03 2.01 2dh4B1 MET 303 HG2 0.04 -0.07 0.03 -0.04 2.63 2.59 2dh4B1 MET 303 HG3 -0.05 0.21 0.09 -0.04 2.56 2.76 2dh4B1 MET 303 HE3 -0.02 -0.02 -0.02 -0.04 2.10 2.00 2dh4B1 ILE 304 H 0.04 0.46 -0.42 -0.55 8.25 7.78 2dh4B1 ILE 304 HA 0.21 0.05 0.73 -0.75 4.18 4.41 2dh4B1 ILE 304 HB 0.09 0.12 0.14 -0.04 1.89 2.20 2dh4B1 ILE 304 HG12 0.36 -0.05 -0.05 -0.04 1.49 1.71 2dh4B1 ILE 304 HG13 0.09 -0.02 -0.16 -0.04 1.21 1.07 2dh4B1 ILE 304 HG23 0.21 -0.02 -0.16 -0.04 0.93 0.92 2dh4B1 ILE 304 HD13 -0.00 -0.00 -0.07 -0.04 0.88 0.77 2dh4B1 LYS 305 H 0.04 0.64 0.15 -0.55 8.42 8.70 2dh4B1 LYS 305 HA 0.04 -0.00 0.35 -0.75 4.32 3.96 2dh4B1 LYS 305 HB2 0.01 0.03 0.08 -0.04 1.87 1.95 2dh4B1 LYS 305 HB3 0.02 -0.03 0.01 -0.04 1.79 1.75 2dh4B1 LYS 305 HG2 0.03 -0.04 0.02 -0.04 1.46 1.42 2dh4B1 LYS 305 HG3 0.02 0.05 -0.01 -0.04 1.46 1.49 2dh4B1 LYS 305 HD2 -0.00 -0.03 -0.06 -0.04 1.69 1.56 2dh4B1 LYS 305 HD3 -0.01 -0.00 -0.16 -0.04 1.68 1.46 2dh4B1 LYS 305 HE2 -0.00 0.02 -0.05 -0.04 2.99 2.93 2dh4B1 LYS 305 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2dh4B1 ASN 306 H 0.04 0.55 -0.50 -0.55 8.53 8.07 2dh4B1 ASN 306 HA 0.01 0.18 0.89 -0.75 4.76 5.09 2dh4B1 ASN 306 HB2 0.02 0.10 0.03 -0.04 2.88 2.99 2dh4B1 ASN 306 HB3 0.01 -0.09 0.19 -0.04 2.79 2.85 2dh4B1 ASN 306 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.89 2dh4B1 ASN 306 HD22 -0.00 0.00 -0.06 -0.04 7.74 7.64 2dh4B1 ASP 307 H 0.05 0.62 -0.35 -0.55 8.40 8.17 2dh4B1 ASP 307 HA -0.01 0.09 0.79 -0.75 4.63 4.74 2dh4B1 ASP 307 HB2 0.13 0.30 0.28 -0.04 2.71 3.38 2dh4B1 ASP 307 HB3 0.07 0.10 0.30 -0.04 2.70 3.13 2dh4B1 ASN 308 H -0.01 0.40 -0.16 -0.55 8.53 8.22 2dh4B1 ASN 308 HA -0.00 0.15 0.45 -0.75 4.76 4.60 2dh4B1 ASN 308 HB2 -0.01 -0.02 0.08 -0.04 2.88 2.89 2dh4B1 ASN 308 HB3 -0.01 0.02 0.02 -0.04 2.79 2.77 2dh4B1 ASN 308 HD21 -0.00 0.01 0.01 -0.04 7.03 7.01 2dh4B1 ASN 308 HD22 -0.01 -0.01 0.03 -0.04 7.74 7.71 2dh4B1 GLU 309 H -0.04 0.09 -0.06 -0.55 8.60 8.05 2dh4B1 GLU 309 HA -0.02 0.16 0.47 -0.75 4.29 4.14 2dh4B1 GLU 309 HB2 -0.07 -0.04 -0.02 -0.04 2.09 1.92 2dh4B1 GLU 309 HB3 -0.04 0.05 0.11 -0.04 1.99 2.07 2dh4B1 GLU 309 HG2 -0.03 -0.03 -0.00 -0.04 2.34 2.24 2dh4B1 GLU 309 HG3 -0.05 -0.00 0.06 -0.04 2.34 2.31 2dh4B1 ASN 310 H -0.02 0.22 -1.08 -0.55 8.53 7.11 2dh4B1 ASN 310 HA 0.01 -0.02 0.23 -0.75 4.76 4.22 2dh4B1 ASN 310 HB2 0.03 0.03 -0.21 -0.04 2.88 2.69 2dh4B1 ASN 310 HB3 0.07 0.07 0.02 -0.04 2.79 2.91 2dh4B1 ASN 310 HD21 -0.01 -0.03 -0.02 -0.04 7.03 6.93 2dh4B1 ASN 310 HD22 0.00 -0.06 -0.07 -0.04 7.74 7.57 2dh4B1 LYS 311 H -0.17 -0.05 -0.23 -0.55 8.42 7.41 2dh4B1 LYS 311 HA -0.18 0.18 0.55 -0.75 4.32 4.12 2dh4B1 LYS 311 HB2 -0.26 0.00 0.00 -0.04 1.87 1.57 2dh4B1 LYS 311 HB3 -0.66 -0.07 0.03 -0.04 1.79 1.05 2dh4B1 LYS 311 HG2 -0.45 0.02 -0.20 -0.04 1.46 0.79 2dh4B1 LYS 311 HG3 -0.24 0.02 0.06 -0.04 1.46 1.26 2dh4B1 LYS 311 HD2 -0.22 -0.01 -0.01 -0.04 1.69 1.41 2dh4B1 LYS 311 HD3 -0.55 -0.01 -0.05 -0.04 1.68 1.02 2dh4B1 LYS 311 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 2dh4B1 LYS 311 HE3 -0.07 0.01 -0.00 -0.04 2.99 2.88 2dh4B1 TYR 312 H -0.10 -0.12 -0.03 -0.55 8.29 7.48 2dh4B1 TYR 312 HA -0.01 0.16 0.79 -0.75 4.56 4.75 2dh4B1 TYR 312 HB2 0.11 -0.03 0.08 -0.04 3.06 3.18 2dh4B1 TYR 312 HB3 0.22 -0.04 -0.07 -0.04 2.98 3.04 2dh4B1 TYR 312 HD2 0.01 0.13 -0.13 -0.04 7.15 7.12 2dh4B1 TYR 312 HE2 -0.01 0.02 -0.06 -0.04 6.85 6.76 2dh4B1 LEU 313 H 0.12 -0.08 0.07 -0.55 8.37 7.94 2dh4B1 LEU 313 HA -0.27 0.04 0.40 -0.75 4.35 3.76 2dh4B1 LEU 313 HB2 0.01 -0.04 0.08 -0.04 1.64 1.65 2dh4B1 LEU 313 HB3 -0.07 0.14 0.09 -0.04 1.64 1.76 2dh4B1 LEU 313 HG 0.06 -0.11 0.10 -0.04 1.64 1.65 2dh4B1 LEU 313 HD13 0.02 0.04 -0.03 -0.04 0.93 0.92 2dh4B1 LEU 313 HD23 -0.22 -0.01 0.02 -0.04 0.89 0.63 2dh4B1 PRO 314 HA -0.20 0.26 0.38 -0.51 4.44 4.37 2dh4B1 PRO 314 HB2 -0.08 0.05 0.07 -0.04 2.28 2.28 2dh4B1 PRO 314 HB3 -0.10 0.08 0.05 -0.04 2.02 2.01 2dh4B1 PRO 314 HG2 -0.08 0.01 0.08 -0.04 2.03 2.00 2dh4B1 PRO 314 HG3 -0.11 0.01 0.06 -0.04 2.03 1.95 2dh4B1 PRO 314 HD2 -0.18 0.02 0.21 -0.04 3.68 3.69 2dh4B1 PRO 314 HD3 -0.29 0.11 0.13 -0.04 3.65 3.56 2dh4B1 ASP 328 HA 0.03 0.04 0.23 -0.75 4.63 4.18 2dh4B1 ASP 328 HB2 0.02 -0.08 0.15 -0.04 2.71 2.76 2dh4B1 ASP 328 HB3 0.01 0.07 0.08 -0.04 2.70 2.83 2dh4B1 GLU 329 H 0.04 0.23 0.10 -0.55 8.60 8.43 2dh4B1 GLU 329 HA 0.12 0.04 0.40 -0.75 4.29 4.10 2dh4B1 GLU 329 HB2 0.05 0.03 0.11 -0.04 2.09 2.24 2dh4B1 GLU 329 HB3 0.07 0.06 0.03 -0.04 1.99 2.11 2dh4B1 GLU 329 HG2 0.09 0.05 -0.00 -0.04 2.34 2.44 2dh4B1 GLU 329 HG3 0.18 -0.05 0.07 -0.04 2.34 2.50 2dh4B1 LEU 330 H 0.07 0.17 -0.65 -0.55 8.37 7.41 2dh4B1 LEU 330 HA 0.13 0.06 0.34 -0.75 4.35 4.13 2dh4B1 LEU 330 HB2 0.05 0.03 0.05 -0.04 1.64 1.73 2dh4B1 LEU 330 HB3 0.05 0.16 0.06 -0.04 1.64 1.88 2dh4B1 LEU 330 HG 0.09 0.07 -0.33 -0.04 1.64 1.43 2dh4B1 LEU 330 HD13 0.14 -0.02 -0.18 -0.04 0.93 0.83 2dh4B1 LEU 330 HD23 0.05 0.04 -0.06 -0.04 0.89 0.88 2dh4B1 LEU 331 H 0.10 0.34 -0.09 -0.55 8.37 8.17 2dh4B1 LEU 331 HA 0.08 0.03 0.37 -0.75 4.35 4.08 2dh4B1 LEU 331 HB2 0.07 0.05 0.11 -0.04 1.64 1.83 2dh4B1 LEU 331 HB3 0.11 0.11 0.14 -0.04 1.64 1.96 2dh4B1 LEU 331 HG 0.06 -0.03 -0.03 -0.04 1.64 1.60 2dh4B1 LEU 331 HD13 0.05 0.01 0.01 -0.04 0.93 0.96 2dh4B1 LEU 331 HD23 0.12 -0.00 -0.23 -0.04 0.89 0.74 2dh4B1 TYR 332 H 0.24 0.22 -0.20 -0.55 8.29 8.01 2dh4B1 TYR 332 HA 0.19 0.02 0.32 -0.75 4.56 4.34 2dh4B1 TYR 332 HB2 0.08 0.00 0.06 -0.04 3.06 3.17 2dh4B1 TYR 332 HB3 0.09 0.07 0.08 -0.04 2.98 3.18 2dh4B1 TYR 332 HD2 0.11 0.02 -0.05 -0.04 7.15 7.18 2dh4B1 TYR 332 HE2 -0.18 -0.00 -0.05 -0.04 6.85 6.57 2dh4B1 ILE 333 H 0.19 0.49 -0.29 -0.55 8.25 8.10 2dh4B1 ILE 333 HA 0.04 -0.01 0.29 -0.75 4.18 3.75 2dh4B1 ILE 333 HB 0.16 0.20 0.21 -0.04 1.89 2.42 2dh4B1 ILE 333 HG12 0.17 -0.06 -0.02 -0.04 1.49 1.53 2dh4B1 ILE 333 HG13 0.22 0.03 0.05 -0.04 1.21 1.48 2dh4B1 ILE 333 HG23 0.15 -0.02 -0.19 -0.04 0.93 0.83 2dh4B1 ILE 333 HD13 0.15 -0.03 -0.11 -0.04 0.88 0.86 2dh4B1 ILE 334 H 0.09 0.64 -0.05 -0.55 8.25 8.38 2dh4B1 ILE 334 HA 0.02 -0.01 0.42 -0.75 4.18 3.86 2dh4B1 ILE 334 HB 0.05 0.09 0.16 -0.04 1.89 2.15 2dh4B1 ILE 334 HG12 0.04 -0.05 0.01 -0.04 1.49 1.46 2dh4B1 ILE 334 HG13 0.12 0.17 -0.00 -0.04 1.21 1.46 2dh4B1 ILE 334 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.71 2dh4B1 ILE 334 HD13 0.08 -0.03 -0.06 -0.04 0.88 0.84 2dh4B1 ASP 335 H 0.00 0.60 -0.14 -0.55 8.40 8.31 2dh4B1 ASP 335 HA -0.11 0.03 0.51 -0.75 4.63 4.31 2dh4B1 ASP 335 HB2 -0.04 0.07 0.04 -0.04 2.71 2.74 2dh4B1 ASP 335 HB3 -0.16 -0.06 0.08 -0.04 2.70 2.52 2dh4B1 HIS 336 H -0.07 0.49 -0.29 -0.55 8.41 8.00 2dh4B1 HIS 336 HA -0.23 0.12 0.86 -0.75 4.63 4.62 2dh4B1 HIS 336 HB2 -0.40 0.14 0.07 -0.04 3.26 3.03 2dh4B1 HIS 336 HB3 -0.64 -0.11 0.16 -0.04 3.20 2.57 2dh4B1 HIS 336 HD2 -0.50 0.18 -0.01 -0.04 6.97 6.60 2dh4B1 HIS 336 HE1 0.11 -0.02 -0.03 -0.04 7.75 7.77 2dh4B1 LEU 337 H -0.07 0.32 -0.41 -0.55 8.37 7.66 2dh4B1 LEU 337 HA 0.08 0.07 0.40 -0.75 4.35 4.15 2dh4B1 LEU 337 HB2 0.00 0.27 0.19 -0.04 1.64 2.06 2dh4B1 LEU 337 HB3 -0.00 -0.05 0.01 -0.04 1.64 1.55 2dh4B1 LEU 337 HG 0.21 -0.07 0.00 -0.04 1.64 1.74 2dh4B1 LEU 337 HD13 0.14 -0.00 0.03 -0.04 0.93 1.06 2dh4B1 LEU 337 HD23 -0.04 -0.00 0.03 -0.04 0.89 0.84 2dh4B1 SER 338 H -0.09 0.13 -0.36 -0.55 8.46 7.60 2dh4B1 SER 338 HA -0.07 0.10 0.40 -0.75 4.49 4.16 2dh4B1 SER 338 HB2 -0.11 0.03 -0.03 -0.04 3.95 3.81 2dh4B1 SER 338 HB3 -0.07 0.00 0.01 -0.04 3.93 3.83 2dh4B1 GLU 339 H -0.20 0.40 -0.36 -0.55 8.60 7.89 2dh4B1 GLU 339 HA -0.04 0.19 0.78 -0.75 4.29 4.47 2dh4B1 GLU 339 HB2 -0.43 -0.07 0.15 -0.04 2.09 1.69 2dh4B1 GLU 339 HB3 -0.24 -0.02 0.08 -0.04 1.99 1.77 2dh4B1 GLU 339 HG2 -0.55 0.11 0.08 -0.04 2.34 1.95 2dh4B1 GLU 339 HG3 -2.42 -0.02 0.05 -0.04 2.34 -0.09 2dh4B1 LEU 340 H 0.11 0.35 -0.50 -0.55 8.37 7.78 2dh4B1 LEU 340 HA 0.03 0.02 0.16 -0.75 4.35 3.81 2dh4B1 LEU 340 HB2 0.14 0.18 0.07 -0.04 1.64 1.98 2dh4B1 LEU 340 HB3 -0.16 -0.04 0.02 -0.04 1.64 1.41 2dh4B1 LEU 340 HG 0.11 0.07 0.02 -0.04 1.64 1.80 2dh4B1 LEU 340 HD13 0.18 -0.01 -0.00 -0.04 0.93 1.05 2dh4B1 LEU 340 HD23 0.07 -0.03 -0.18 -0.04 0.89 0.71