============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 3 1.000 -9.414 -9.233 8.325 -99.200 -91.000 PHE 4 1.000 -2.806 -6.723 12.982 -99.200 -91.000 TYR 5 0.840 -7.934 -11.872 18.036 -99.200 -91.000 TRP 31 1.040 -14.561 -7.955 26.473 -99.200 -91.000 TRP6 31 1.020 -16.052 -6.914 27.987 -99.200 -91.000 TRP 44 1.040 -7.797 -4.114 15.904 -99.200 -91.000 TRP6 44 1.020 -8.846 -2.001 16.091 -99.200 -91.000 TYR 45 0.840 -8.055 -3.622 7.143 -99.200 -91.000 PHE 59 1.000 -15.428 4.151 10.658 -99.200 -91.000 HIS 65 0.900 -12.788 13.907 19.967 -99.200 -91.000 PHE 73 1.000 -5.644 6.744 6.378 -99.200 -91.000 TRP 82 1.040 -2.604 6.196 15.696 -99.200 -91.000 TRP6 82 1.020 -1.132 6.948 17.387 -99.200 -91.000 HIS 111 0.900 -8.786 5.467 29.587 -99.200 -91.000 TRP 115 1.040 2.021 8.274 28.002 -99.200 -91.000 TRP6 115 1.020 0.461 6.496 28.010 -99.200 -91.000 HIS 118 0.900 7.433 8.674 30.022 -99.200 -91.000 PHE 125 1.000 -0.637 -1.781 23.152 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dryA1 PRO 131 HA -0.16 -0.04 0.13 -0.51 4.44 3.86 2dryA1 PRO 131 HB2 -0.24 -0.28 0.19 -0.04 2.28 1.90 2dryA1 PRO 131 HB3 -0.17 -0.00 0.06 -0.04 2.02 1.87 2dryA1 PRO 131 HG2 -0.67 0.06 -0.07 -0.04 2.03 1.31 2dryA1 PRO 131 HG3 -0.32 -0.00 -0.00 -0.04 2.03 1.66 2dryA1 PRO 131 HD2 -0.29 0.01 -0.07 -0.04 3.68 3.29 2dryA1 PRO 131 HD3 -0.18 -0.01 -0.00 -0.04 3.65 3.41 2dryA1 LYS 132 H -0.29 0.12 0.09 -0.55 8.42 7.79 2dryA1 LYS 132 HA -0.12 0.11 0.78 -0.75 4.32 4.33 2dryA1 LYS 132 HB2 -0.03 -0.01 0.18 -0.04 1.87 1.96 2dryA1 LYS 132 HB3 0.04 0.04 0.01 -0.04 1.79 1.84 2dryA1 LYS 132 HG2 -0.06 -0.06 -0.01 -0.04 1.46 1.28 2dryA1 LYS 132 HG3 -0.01 0.01 0.02 -0.04 1.46 1.45 2dryA1 LYS 132 HD2 0.03 0.02 0.03 -0.04 1.69 1.73 2dryA1 LYS 132 HD3 -0.02 0.03 -0.07 -0.04 1.68 1.58 2dryA1 LYS 132 HE2 0.01 -0.00 0.00 -0.04 2.99 2.96 2dryA1 LYS 132 HE3 0.01 0.00 -0.01 -0.04 2.99 2.96 2dryA1 PHE 133 H 0.07 0.15 0.24 -0.55 8.34 8.25 2dryA1 PHE 133 HA -0.04 0.37 0.95 -0.75 4.62 5.14 2dryA1 PHE 133 HB2 -0.05 -0.05 0.04 -0.04 3.15 3.05 2dryA1 PHE 133 HB3 -0.15 -0.03 0.04 -0.04 3.06 2.88 2dryA1 PHE 133 HD2 -0.03 0.01 -0.23 -0.04 7.28 7.00 2dryA1 PHE 133 HE2 -0.17 -0.00 -0.14 -0.04 7.38 7.03 2dryA1 PHE 133 HZ -0.22 0.01 -0.10 -0.04 7.32 6.96 2dryA1 PHE 134 H -0.21 0.52 0.40 -0.55 8.34 8.51 2dryA1 PHE 134 HA 0.16 0.07 0.59 -0.75 4.62 4.69 2dryA1 PHE 134 HB2 0.17 -0.01 -0.14 -0.04 3.15 3.12 2dryA1 PHE 134 HB3 0.13 -0.00 -0.28 -0.04 3.06 2.87 2dryA1 PHE 134 HD2 0.13 0.06 -0.45 -0.04 7.28 6.98 2dryA1 PHE 134 HE2 0.04 -0.05 -0.22 -0.04 7.38 7.11 2dryA1 PHE 134 HZ 0.05 0.00 -0.29 -0.04 7.32 7.04 2dryA1 TYR 135 H 0.59 0.82 0.33 -0.55 8.29 9.48 2dryA1 TYR 135 HA 0.37 0.34 0.95 -0.75 4.56 5.47 2dryA1 TYR 135 HB2 0.20 -0.04 0.10 -0.04 3.06 3.27 2dryA1 TYR 135 HB3 0.21 -0.04 0.04 -0.04 2.98 3.16 2dryA1 TYR 135 HD2 0.17 0.15 -0.00 -0.04 7.15 7.42 2dryA1 TYR 135 HE2 0.08 -0.07 0.03 -0.04 6.85 6.85 2dryA1 ILE 136 H 0.38 0.28 0.16 -0.55 8.25 8.52 2dryA1 ILE 136 HA 0.19 0.20 0.83 -0.75 4.18 4.65 2dryA1 ILE 136 HB -0.15 -0.07 0.16 -0.04 1.89 1.79 2dryA1 ILE 136 HG12 0.17 0.04 -0.25 -0.04 1.49 1.41 2dryA1 ILE 136 HG13 0.04 0.01 -0.30 -0.04 1.21 0.92 2dryA1 ILE 136 HG23 -0.25 -0.00 -0.21 -0.04 0.93 0.42 2dryA1 ILE 136 HD13 -0.70 0.00 -0.17 -0.04 0.88 -0.03 2dryA1 LYS 137 H 0.20 0.69 0.19 -0.55 8.42 8.95 2dryA1 LYS 137 HA 0.19 0.21 0.93 -0.75 4.32 4.90 2dryA1 LYS 137 HB2 0.12 -0.03 -0.08 -0.04 1.87 1.83 2dryA1 LYS 137 HB3 0.10 -0.01 0.06 -0.04 1.79 1.90 2dryA1 LYS 137 HG2 0.05 0.01 -0.31 -0.04 1.46 1.17 2dryA1 LYS 137 HG3 0.07 0.10 -0.35 -0.04 1.46 1.24 2dryA1 LYS 137 HD2 0.03 -0.06 -0.09 -0.04 1.69 1.54 2dryA1 LYS 137 HD3 0.02 0.02 -0.03 -0.04 1.68 1.64 2dryA1 LYS 137 HE2 0.01 0.10 -0.03 -0.04 2.99 3.03 2dryA1 LYS 137 HE3 0.01 -0.06 -0.09 -0.04 2.99 2.81 2dryA1 SER 138 H 0.15 0.75 0.29 -0.55 8.46 9.10 2dryA1 SER 138 HA -0.19 0.25 0.71 -0.75 4.49 4.51 2dryA1 SER 138 HB2 0.13 0.11 0.06 -0.04 3.95 4.21 2dryA1 SER 138 HB3 0.06 0.01 0.18 -0.04 3.93 4.14 2dryA1 GLU 139 H -0.31 0.77 0.34 -0.55 8.60 8.84 2dryA1 GLU 139 HA -0.06 0.08 0.47 -0.75 4.29 4.03 2dryA1 GLU 139 HB2 -0.17 0.17 0.14 -0.04 2.09 2.19 2dryA1 GLU 139 HB3 -0.08 -0.04 0.15 -0.04 1.99 1.98 2dryA1 GLU 139 HG2 -0.05 -0.02 -0.12 -0.04 2.34 2.11 2dryA1 GLU 139 HG3 -0.10 0.04 -0.36 -0.04 2.34 1.88 2dryA1 LEU 140 H -0.13 -0.08 -0.51 -0.55 8.37 7.10 2dryA1 LEU 140 HA -0.06 0.18 0.69 -0.75 4.35 4.41 2dryA1 LEU 140 HB2 -0.09 0.03 -0.09 -0.04 1.64 1.46 2dryA1 LEU 140 HB3 -0.06 -0.13 0.10 -0.04 1.64 1.52 2dryA1 LEU 140 HG -0.02 0.03 -0.24 -0.04 1.64 1.36 2dryA1 LEU 140 HD13 -0.02 -0.00 -0.00 -0.04 0.93 0.86 2dryA1 LEU 140 HD23 -0.00 -0.00 -0.03 -0.04 0.89 0.81 2dryA1 ASN 141 H -0.03 0.00 0.02 -0.55 8.53 7.98 2dryA1 ASN 141 HA -0.02 0.33 0.93 -0.75 4.76 5.25 2dryA1 ASN 141 HB2 -0.02 0.05 0.12 -0.04 2.88 2.99 2dryA1 ASN 141 HB3 -0.01 0.03 -0.04 -0.04 2.79 2.73 2dryA1 ASN 141 HD21 0.04 0.00 -0.06 -0.04 7.03 6.98 2dryA1 ASN 141 HD22 0.01 0.03 -0.03 -0.04 7.74 7.71 2dryA1 GLY 142 H -0.02 0.34 -0.08 -0.55 8.43 8.13 2dryA1 GLY 142 HA2 0.00 0.14 0.32 -0.51 4.01 3.96 2dryA1 GLY 142 HA3 -0.01 0.05 0.35 -0.51 4.01 3.89 2dryA1 LYS 143 H 0.03 -0.13 -0.54 -0.55 8.42 7.22 2dryA1 LYS 143 HA 0.05 0.14 0.62 -0.75 4.32 4.37 2dryA1 LYS 143 HB2 0.06 -0.10 -0.14 -0.04 1.87 1.65 2dryA1 LYS 143 HB3 0.09 0.01 -0.18 -0.04 1.79 1.66 2dryA1 LYS 143 HG2 -0.07 -0.04 -0.26 -0.04 1.46 1.06 2dryA1 LYS 143 HG3 -0.02 0.22 -0.22 -0.04 1.46 1.40 2dryA1 LYS 143 HD2 -0.01 -0.08 -0.11 -0.04 1.69 1.45 2dryA1 LYS 143 HD3 -0.05 0.01 -0.22 -0.04 1.68 1.38 2dryA1 LYS 143 HE2 -0.06 0.12 -0.02 -0.04 2.99 2.99 2dryA1 LYS 143 HE3 -0.08 -0.02 -0.02 -0.04 2.99 2.83 2dryA1 VAL 144 H 0.18 0.59 0.26 -0.55 8.24 8.72 2dryA1 VAL 144 HA 0.21 0.25 1.22 -0.75 4.13 5.06 2dryA1 VAL 144 HB 0.36 0.02 0.07 -0.04 2.12 2.53 2dryA1 VAL 144 HG13 0.14 -0.02 -0.16 -0.04 0.97 0.88 2dryA1 VAL 144 HG23 0.32 0.06 -0.07 -0.04 0.95 1.22 2dryA1 LEU 145 H 0.20 0.51 0.33 -0.55 8.37 8.87 2dryA1 LEU 145 HA 0.18 0.17 0.49 -0.75 4.35 4.43 2dryA1 LEU 145 HB2 0.02 -0.05 0.12 -0.04 1.64 1.69 2dryA1 LEU 145 HB3 0.02 -0.00 -0.07 -0.04 1.64 1.54 2dryA1 LEU 145 HG -0.16 0.05 0.01 -0.04 1.64 1.50 2dryA1 LEU 145 HD13 -0.60 -0.01 -0.14 -0.04 0.93 0.14 2dryA1 LEU 145 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.67 2dryA1 ASP 146 H 0.25 0.58 0.34 -0.55 8.40 9.04 2dryA1 ASP 146 HA 0.19 0.28 0.80 -0.75 4.63 5.15 2dryA1 ASP 146 HB2 0.25 0.09 -0.31 -0.04 2.71 2.70 2dryA1 ASP 146 HB3 0.24 -0.06 -0.19 -0.04 2.70 2.65 2dryA1 ILE 147 H -0.01 0.61 0.22 -0.55 8.25 8.52 2dryA1 ILE 147 HA 0.10 0.13 0.68 -0.75 4.18 4.34 2dryA1 ILE 147 HB -0.11 -0.09 0.18 -0.04 1.89 1.83 2dryA1 ILE 147 HG12 0.14 -0.00 -0.08 -0.04 1.49 1.51 2dryA1 ILE 147 HG13 -0.14 0.09 0.03 -0.04 1.21 1.14 2dryA1 ILE 147 HG23 0.01 0.03 -0.13 -0.04 0.93 0.80 2dryA1 ILE 147 HD13 -0.22 -0.01 -0.04 -0.04 0.88 0.57 2dryA1 GLY 148 H 0.05 0.52 0.33 -0.55 8.43 8.79 2dryA1 GLY 148 HA2 -0.07 -0.07 0.30 -0.51 4.01 3.66 2dryA1 GLY 148 HA3 -0.00 0.06 0.34 -0.51 4.01 3.89 2dryA1 GLY 149 H -0.20 0.12 0.15 -0.55 8.43 7.95 2dryA1 GLY 149 HA2 -0.16 0.01 0.34 -0.51 4.01 3.69 2dryA1 GLY 149 HA3 -0.09 0.06 0.41 -0.51 4.01 3.88 2dryA1 GLN 150 H -0.14 0.39 -0.32 -0.55 8.47 7.86 2dryA1 GLN 150 HA -0.13 0.04 0.25 -0.75 4.36 3.76 2dryA1 GLN 150 HB2 -0.11 0.19 -0.04 -0.04 2.15 2.15 2dryA1 GLN 150 HB3 -0.12 -0.04 0.17 -0.04 2.02 2.00 2dryA1 GLN 150 HG2 -0.15 -0.03 0.01 -0.04 2.40 2.19 2dryA1 GLN 150 HG3 -0.18 -0.11 -0.19 -0.04 2.39 1.86 2dryA1 GLN 150 HE21 -0.08 -0.04 -0.01 -0.04 6.97 6.79 2dryA1 GLN 150 HE22 -0.10 0.07 -0.00 -0.04 7.69 7.61 2dryA1 ASN 151 H -0.06 0.39 -0.48 -0.55 8.53 7.84 2dryA1 ASN 151 HA -0.04 0.08 0.43 -0.75 4.76 4.47 2dryA1 ASN 151 HB2 -0.02 0.09 0.08 -0.04 2.88 2.99 2dryA1 ASN 151 HB3 0.00 -0.03 0.08 -0.04 2.79 2.80 2dryA1 ASN 151 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.95 2dryA1 ASN 151 HD22 -0.00 0.00 -0.00 -0.04 7.74 7.70 2dryA1 PRO 152 HA -0.11 0.07 0.44 -0.51 4.44 4.33 2dryA1 PRO 152 HB2 -0.11 -0.00 0.03 -0.04 2.28 2.15 2dryA1 PRO 152 HB3 -0.11 0.06 0.06 -0.04 2.02 1.98 2dryA1 PRO 152 HG2 -0.03 -0.01 -0.02 -0.04 2.03 1.92 2dryA1 PRO 152 HG3 -0.06 0.02 0.07 -0.04 2.03 2.02 2dryA1 PRO 152 HD2 -0.03 0.00 0.24 -0.04 3.68 3.85 2dryA1 PRO 152 HD3 -0.06 0.37 0.33 -0.04 3.65 4.24 2dryA1 ALA 153 H 0.02 0.02 -0.26 -0.55 8.40 7.63 2dryA1 ALA 153 HA 0.13 0.10 0.48 -0.75 4.34 4.30 2dryA1 ALA 153 HB3 0.05 0.00 0.02 -0.04 1.41 1.44 2dryA1 PRO 154 HA 0.14 0.04 0.37 -0.51 4.44 4.47 2dryA1 PRO 154 HB2 -0.16 0.03 0.06 -0.04 2.28 2.17 2dryA1 PRO 154 HB3 -0.45 -0.00 0.09 -0.04 2.02 1.62 2dryA1 PRO 154 HG2 0.03 0.02 0.06 -0.04 2.03 2.10 2dryA1 PRO 154 HG3 0.02 0.03 0.08 -0.04 2.03 2.12 2dryA1 PRO 154 HD2 0.13 0.04 0.21 -0.04 3.68 4.02 2dryA1 PRO 154 HD3 0.34 0.17 0.19 -0.04 3.65 4.31 2dryA1 GLY 155 H -0.00 0.92 0.32 -0.55 8.43 9.12 2dryA1 GLY 155 HA2 0.01 -0.01 0.32 -0.51 4.01 3.82 2dryA1 GLY 155 HA3 0.03 0.08 0.59 -0.51 4.01 4.21 2dryA1 SER 156 H 0.09 0.20 -0.17 -0.55 8.46 8.02 2dryA1 SER 156 HA 0.05 0.02 0.50 -0.75 4.49 4.31 2dryA1 SER 156 HB2 0.09 -0.05 0.07 -0.04 3.95 4.02 2dryA1 SER 156 HB3 0.04 0.01 0.02 -0.04 3.93 3.97 2dryA1 LYS 157 H 0.05 0.08 0.22 -0.55 8.42 8.21 2dryA1 LYS 157 HA 0.07 0.22 0.62 -0.75 4.32 4.46 2dryA1 LYS 157 HB2 0.07 0.07 0.09 -0.04 1.87 2.06 2dryA1 LYS 157 HB3 0.05 0.01 0.14 -0.04 1.79 1.95 2dryA1 LYS 157 HG2 0.05 -0.05 0.12 -0.04 1.46 1.53 2dryA1 LYS 157 HG3 0.07 -0.03 -0.24 -0.04 1.46 1.23 2dryA1 LYS 157 HD2 0.03 0.01 0.03 -0.04 1.69 1.72 2dryA1 LYS 157 HD3 0.05 -0.05 -0.01 -0.04 1.68 1.62 2dryA1 LYS 157 HE2 0.04 -0.04 -0.02 -0.04 2.99 2.92 2dryA1 LYS 157 HE3 0.09 0.03 -0.09 -0.04 2.99 2.97 2dryA1 ILE 158 H 0.08 0.51 0.27 -0.55 8.25 8.56 2dryA1 ILE 158 HA 0.14 0.18 0.95 -0.75 4.18 4.70 2dryA1 ILE 158 HB 0.04 -0.02 0.02 -0.04 1.89 1.89 2dryA1 ILE 158 HG12 0.28 0.03 -0.21 -0.04 1.49 1.54 2dryA1 ILE 158 HG13 0.12 -0.00 -0.22 -0.04 1.21 1.07 2dryA1 ILE 158 HG23 0.12 -0.00 -0.21 -0.04 0.93 0.80 2dryA1 ILE 158 HD13 0.10 -0.01 -0.25 -0.04 0.88 0.67 2dryA1 ILE 159 H 0.15 0.69 0.37 -0.55 8.25 8.91 2dryA1 ILE 159 HA 0.15 0.20 0.96 -0.75 4.18 4.74 2dryA1 ILE 159 HB 0.20 0.06 0.15 -0.04 1.89 2.27 2dryA1 ILE 159 HG12 0.13 0.05 0.02 -0.04 1.49 1.65 2dryA1 ILE 159 HG13 0.24 -0.00 -0.43 -0.04 1.21 0.98 2dryA1 ILE 159 HG23 0.14 -0.03 -0.17 -0.04 0.93 0.82 2dryA1 ILE 159 HD13 0.21 -0.03 -0.06 -0.04 0.88 0.96 2dryA1 THR 160 H 0.17 0.35 0.19 -0.55 8.28 8.44 2dryA1 THR 160 HA 0.21 0.39 0.69 -0.75 4.39 4.93 2dryA1 THR 160 HB 0.13 -0.08 -0.19 -0.04 4.32 4.15 2dryA1 THR 160 HG23 0.15 0.00 -0.27 -0.04 1.22 1.06 2dryA1 TRP 161 H 0.29 0.55 0.23 -0.55 7.97 8.50 2dryA1 TRP 161 HA 0.05 0.07 0.67 -0.75 4.62 4.66 2dryA1 TRP 161 HB2 0.07 0.02 -0.30 -0.04 3.23 2.97 2dryA1 TRP 161 HB3 0.08 0.07 -0.14 -0.04 3.23 3.19 2dryA1 TRP 161 HD1 0.05 0.45 -0.15 -0.04 7.22 7.53 2dryA1 TRP 161 HE1 0.03 0.01 -0.03 -0.04 10.20 10.17 2dryA1 TRP 161 HE3 0.04 0.03 0.04 -0.04 7.59 7.67 2dryA1 TRP 161 HZ2 0.02 0.01 0.00 -0.04 7.44 7.43 2dryA1 TRP 161 HZ3 0.03 -0.02 0.03 -0.04 7.13 7.13 2dryA1 TRP 161 HH2 0.02 0.01 0.01 -0.04 7.19 7.19 2dryA1 ASP 162 H -0.90 0.12 0.11 -0.55 8.40 7.18 2dryA1 ASP 162 HA -0.05 0.01 0.44 -0.75 4.63 4.29 2dryA1 ASP 162 HB2 -0.20 -0.02 0.07 -0.04 2.71 2.52 2dryA1 ASP 162 HB3 -0.06 0.10 0.00 -0.04 2.70 2.71 2dryA1 GLN 163 H 0.05 0.11 0.23 -0.55 8.47 8.31 2dryA1 GLN 163 HA 0.17 0.03 0.44 -0.75 4.36 4.25 2dryA1 GLN 163 HB2 -0.02 0.02 0.16 -0.04 2.15 2.26 2dryA1 GLN 163 HB3 -0.04 -0.03 0.15 -0.04 2.02 2.06 2dryA1 GLN 163 HG2 -0.21 -0.00 -0.26 -0.04 2.40 1.89 2dryA1 GLN 163 HG3 -0.42 0.04 0.02 -0.04 2.39 1.98 2dryA1 GLN 163 HE21 -0.45 -0.01 -0.03 -0.04 6.97 6.43 2dryA1 GLN 163 HE22 -1.91 0.03 -0.02 -0.04 7.69 5.75 2dryA1 LYS 164 H 0.23 0.13 0.19 -0.55 8.42 8.42 2dryA1 LYS 164 HA 0.12 0.15 0.81 -0.75 4.32 4.64 2dryA1 LYS 164 HB2 0.14 -0.04 -0.05 -0.04 1.87 1.89 2dryA1 LYS 164 HB3 0.10 -0.01 -0.06 -0.04 1.79 1.78 2dryA1 LYS 164 HG2 0.23 -0.00 -0.11 -0.04 1.46 1.54 2dryA1 LYS 164 HG3 0.29 0.18 -0.07 -0.04 1.46 1.82 2dryA1 LYS 164 HD2 0.05 -0.03 -0.11 -0.04 1.69 1.55 2dryA1 LYS 164 HD3 0.04 -0.03 -0.08 -0.04 1.68 1.57 2dryA1 LYS 164 HE2 -0.02 -0.00 -0.10 -0.04 2.99 2.83 2dryA1 LYS 164 HE3 0.02 -0.04 -0.18 -0.04 2.99 2.75 2dryA1 LYS 165 H 0.08 0.16 0.14 -0.55 8.42 8.24 2dryA1 LYS 165 HA 0.13 0.22 0.90 -0.75 4.32 4.81 2dryA1 LYS 165 HB2 0.05 -0.01 0.06 -0.04 1.87 1.93 2dryA1 LYS 165 HB3 0.05 -0.00 -0.02 -0.04 1.79 1.78 2dryA1 LYS 165 HG2 0.02 0.04 -0.23 -0.04 1.46 1.25 2dryA1 LYS 165 HG3 0.03 0.00 -0.04 -0.04 1.46 1.40 2dryA1 LYS 165 HD2 0.06 -0.04 0.04 -0.04 1.69 1.71 2dryA1 LYS 165 HD3 0.11 0.06 0.09 -0.04 1.68 1.89 2dryA1 LYS 165 HE2 -0.02 0.03 -0.05 -0.04 2.99 2.91 2dryA1 LYS 165 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.93 2dryA1 GLY 166 H 0.07 0.16 0.12 -0.55 8.43 8.23 2dryA1 GLY 166 HA2 0.02 0.08 0.33 -0.51 4.01 3.93 2dryA1 GLY 166 HA3 0.02 0.13 0.56 -0.51 4.01 4.21 2dryA1 PRO 167 HA -0.06 0.10 0.41 -0.51 4.44 4.38 2dryA1 PRO 167 HB2 -0.03 0.02 0.07 -0.04 2.28 2.30 2dryA1 PRO 167 HB3 -0.05 0.07 0.08 -0.04 2.02 2.08 2dryA1 PRO 167 HG2 -0.02 0.07 0.09 -0.04 2.03 2.13 2dryA1 PRO 167 HG3 -0.02 0.06 0.09 -0.04 2.03 2.12 2dryA1 PRO 167 HD2 -0.01 0.13 0.23 -0.04 3.68 3.99 2dryA1 PRO 167 HD3 -0.00 0.11 0.22 -0.04 3.65 3.94 2dryA1 THR 168 H -0.02 0.17 -0.20 -0.55 8.28 7.68 2dryA1 THR 168 HA -0.06 0.08 0.32 -0.75 4.39 3.98 2dryA1 THR 168 HB -0.03 0.01 0.05 -0.04 4.32 4.31 2dryA1 THR 168 HG23 -0.02 -0.00 0.04 -0.04 1.22 1.20 2dryA1 ALA 169 H -0.02 0.44 -0.76 -0.55 8.40 7.51 2dryA1 ALA 169 HA 0.00 0.05 0.34 -0.75 4.34 3.98 2dryA1 ALA 169 HB3 0.08 0.03 -0.18 -0.04 1.41 1.31 2dryA1 VAL 170 H -0.14 0.41 -0.52 -0.55 8.24 7.45 2dryA1 VAL 170 HA -0.31 0.02 0.28 -0.75 4.13 3.37 2dryA1 VAL 170 HB -0.19 0.14 0.11 -0.04 2.12 2.14 2dryA1 VAL 170 HG13 -0.16 0.02 -0.06 -0.04 0.97 0.72 2dryA1 VAL 170 HG23 -0.27 -0.02 -0.10 -0.04 0.95 0.52 2dryA1 ASN 171 H -0.18 0.25 -0.31 -0.55 8.53 7.74 2dryA1 ASN 171 HA -0.36 0.10 0.65 -0.75 4.76 4.40 2dryA1 ASN 171 HB2 -0.18 -0.01 0.21 -0.04 2.88 2.86 2dryA1 ASN 171 HB3 -0.18 0.05 0.07 -0.04 2.79 2.69 2dryA1 ASN 171 HD21 -0.20 -0.04 -0.12 -0.04 7.03 6.63 2dryA1 ASN 171 HD22 -0.13 0.30 0.02 -0.04 7.74 7.89 2dryA1 GLN 172 H -0.25 0.64 -0.33 -0.55 8.47 7.99 2dryA1 GLN 172 HA 0.04 0.27 0.96 -0.75 4.36 4.88 2dryA1 GLN 172 HB2 0.09 0.07 0.07 -0.04 2.15 2.34 2dryA1 GLN 172 HB3 0.30 -0.01 0.17 -0.04 2.02 2.44 2dryA1 GLN 172 HG2 0.12 0.02 -0.15 -0.04 2.40 2.34 2dryA1 GLN 172 HG3 0.02 -0.09 -0.16 -0.04 2.39 2.11 2dryA1 GLN 172 HE21 0.44 0.36 -0.21 -0.04 6.97 7.52 2dryA1 GLN 172 HE22 0.23 -0.07 -0.18 -0.04 7.69 7.63 2dryA1 LEU 173 H -0.56 0.21 -0.09 -0.55 8.37 7.38 2dryA1 LEU 173 HA -0.38 0.29 0.98 -0.75 4.35 4.49 2dryA1 LEU 173 HB2 -0.51 0.01 0.11 -0.04 1.64 1.21 2dryA1 LEU 173 HB3 -0.41 -0.03 -0.02 -0.04 1.64 1.13 2dryA1 LEU 173 HG -0.46 0.13 -0.28 -0.04 1.64 0.98 2dryA1 LEU 173 HD13 -0.32 -0.02 -0.18 -0.04 0.93 0.37 2dryA1 LEU 173 HD23 -0.65 0.01 -0.18 -0.04 0.89 0.04 2dryA1 TRP 174 H -0.15 0.53 0.40 -0.55 7.97 8.21 2dryA1 TRP 174 HA -0.13 0.09 1.04 -0.75 4.62 4.87 2dryA1 TRP 174 HB2 -0.65 -0.04 -0.07 -0.04 3.23 2.43 2dryA1 TRP 174 HB3 -0.28 0.15 0.11 -0.04 3.23 3.17 2dryA1 TRP 174 HD1 -0.13 0.20 -0.02 -0.04 7.22 7.23 2dryA1 TRP 174 HE1 -0.01 0.21 -0.17 -0.04 10.20 10.19 2dryA1 TRP 174 HE3 -0.11 0.07 -0.65 -0.04 7.59 6.85 2dryA1 TRP 174 HZ2 -0.02 -0.02 -0.39 -0.04 7.44 6.97 2dryA1 TRP 174 HZ3 -0.02 0.01 -0.30 -0.04 7.13 6.78 2dryA1 TRP 174 HH2 -0.02 -0.02 -0.23 -0.04 7.19 6.88 2dryA1 TYR 175 H -0.14 0.59 0.32 -0.55 8.29 8.51 2dryA1 TYR 175 HA -0.15 0.17 0.76 -0.75 4.56 4.59 2dryA1 TYR 175 HB2 -0.11 0.04 0.12 -0.04 3.06 3.07 2dryA1 TYR 175 HB3 -0.10 0.03 -0.13 -0.04 2.98 2.74 2dryA1 TYR 175 HD2 0.12 0.02 -0.38 -0.04 7.15 6.87 2dryA1 TYR 175 HE2 0.03 0.04 -0.22 -0.04 6.85 6.66 2dryA1 THR 176 H 0.28 0.23 0.14 -0.55 8.28 8.39 2dryA1 THR 176 HA 0.01 0.32 0.76 -0.75 4.39 4.73 2dryA1 THR 176 HB 0.07 -0.08 -0.16 -0.04 4.32 4.11 2dryA1 THR 176 HG23 0.25 -0.01 -0.21 -0.04 1.22 1.21 2dryA1 ASP 177 H -0.06 0.58 0.12 -0.55 8.40 8.50 2dryA1 ASP 177 HA 0.14 0.16 0.51 -0.75 4.63 4.68 2dryA1 ASP 177 HB2 -0.01 -0.08 0.19 -0.04 2.71 2.77 2dryA1 ASP 177 HB3 -0.05 0.14 0.09 -0.04 2.70 2.84 2dryA1 GLN 178 H 0.02 0.16 0.15 -0.55 8.47 8.26 2dryA1 GLN 178 HA 0.02 0.12 0.36 -0.75 4.36 4.11 2dryA1 GLN 178 HB2 0.01 -0.05 0.16 -0.04 2.15 2.23 2dryA1 GLN 178 HB3 0.01 0.05 -0.05 -0.04 2.02 2.00 2dryA1 GLN 178 HG2 0.01 0.03 0.08 -0.04 2.40 2.49 2dryA1 GLN 178 HG3 0.02 0.00 0.08 -0.04 2.39 2.44 2dryA1 GLN 178 HE21 0.01 0.00 0.01 -0.04 6.97 6.95 2dryA1 GLN 178 HE22 0.01 0.01 0.03 -0.04 7.69 7.69 2dryA1 GLN 179 H -0.02 0.00 -0.26 -0.55 8.47 7.65 2dryA1 GLN 179 HA -0.00 0.15 0.46 -0.75 4.36 4.22 2dryA1 GLN 179 HB2 -0.05 -0.09 0.01 -0.04 2.15 1.99 2dryA1 GLN 179 HB3 -0.01 0.05 0.04 -0.04 2.02 2.07 2dryA1 GLN 179 HG2 0.04 0.03 0.00 -0.04 2.40 2.43 2dryA1 GLN 179 HG3 0.01 0.06 0.00 -0.04 2.39 2.42 2dryA1 GLN 179 HE21 0.02 0.00 -0.02 -0.04 6.97 6.93 2dryA1 GLN 179 HE22 0.02 0.07 -0.07 -0.04 7.69 7.67 2dryA1 GLY 180 H -0.01 0.48 -0.47 -0.55 8.43 7.89 2dryA1 GLY 180 HA2 0.02 0.07 0.21 -0.51 4.01 3.80 2dryA1 GLY 180 HA3 -0.00 0.16 0.71 -0.51 4.01 4.37 2dryA1 VAL 181 H -0.07 -0.08 -0.20 -0.55 8.24 7.34 2dryA1 VAL 181 HA -0.02 0.26 0.52 -0.75 4.13 4.14 2dryA1 VAL 181 HB -0.31 -0.13 0.09 -0.04 2.12 1.72 2dryA1 VAL 181 HG13 -0.18 0.01 0.01 -0.04 0.97 0.78 2dryA1 VAL 181 HG23 -0.06 -0.01 -0.11 -0.04 0.95 0.73 2dryA1 ILE 182 H 0.04 0.66 0.42 -0.55 8.25 8.82 2dryA1 ILE 182 HA 0.01 0.19 0.57 -0.75 4.18 4.19 2dryA1 ILE 182 HB 0.04 -0.10 0.10 -0.04 1.89 1.89 2dryA1 ILE 182 HG12 0.15 -0.01 -0.09 -0.04 1.49 1.50 2dryA1 ILE 182 HG13 0.07 0.16 0.09 -0.04 1.21 1.49 2dryA1 ILE 182 HG23 -0.08 -0.01 -0.20 -0.04 0.93 0.60 2dryA1 ILE 182 HD13 -0.04 -0.03 -0.27 -0.04 0.88 0.49 2dryA1 ARG 183 H -0.17 0.62 0.43 -0.55 8.46 8.78 2dryA1 ARG 183 HA 0.04 0.31 0.80 -0.75 4.34 4.73 2dryA1 ARG 183 HB2 -1.50 -0.10 -0.11 -0.04 1.90 0.16 2dryA1 ARG 183 HB3 -0.24 0.06 -0.08 -0.04 1.80 1.50 2dryA1 ARG 183 HG2 -0.34 0.07 -0.40 -0.04 1.67 0.96 2dryA1 ARG 183 HG3 -0.29 -0.10 -0.12 -0.04 1.67 1.12 2dryA1 ARG 183 HD2 -0.02 0.17 -0.17 -0.04 3.22 3.16 2dryA1 ARG 183 HD3 -0.14 0.23 -0.16 -0.04 3.22 3.11 2dryA1 SER 184 H 0.08 0.56 0.14 -0.55 8.46 8.70 2dryA1 SER 184 HA -0.47 0.24 0.81 -0.75 4.49 4.31 2dryA1 SER 184 HB2 -0.43 0.09 -0.00 -0.04 3.95 3.57 2dryA1 SER 184 HB3 -0.11 -0.14 0.11 -0.04 3.93 3.75 2dryA1 LYS 185 H -0.44 0.81 0.35 -0.55 8.42 8.58 2dryA1 LYS 185 HA 0.14 0.07 0.43 -0.75 4.32 4.20 2dryA1 LYS 185 HB2 -0.47 -0.05 -0.11 -0.04 1.87 1.20 2dryA1 LYS 185 HB3 -0.50 0.16 0.12 -0.04 1.79 1.52 2dryA1 LYS 185 HG2 -0.45 0.02 -0.17 -0.04 1.46 0.82 2dryA1 LYS 185 HG3 -0.75 -0.01 -0.01 -0.04 1.46 0.65 2dryA1 LYS 185 HD2 -1.94 -0.03 -0.09 -0.04 1.69 -0.41 2dryA1 LYS 185 HD3 -0.68 -0.01 -0.05 -0.04 1.68 0.90 2dryA1 LYS 185 HE2 -0.44 -0.00 -0.05 -0.04 2.99 2.46 2dryA1 LYS 185 HE3 -0.87 0.02 -0.06 -0.04 2.99 2.04 2dryA1 LEU 186 H -0.37 0.11 -0.10 -0.55 8.37 7.46 2dryA1 LEU 186 HA -0.24 0.08 0.36 -0.75 4.35 3.80 2dryA1 LEU 186 HB2 -0.30 0.05 -0.06 -0.04 1.64 1.28 2dryA1 LEU 186 HB3 -0.30 -0.08 0.01 -0.04 1.64 1.23 2dryA1 LEU 186 HG -0.22 0.03 -0.29 -0.04 1.64 1.11 2dryA1 LEU 186 HD13 -0.17 -0.01 -0.03 -0.04 0.93 0.68 2dryA1 LEU 186 HD23 -0.17 0.01 -0.26 -0.04 0.89 0.43 2dryA1 ASN 187 H -0.23 -0.07 -0.23 -0.55 8.53 7.47 2dryA1 ASN 187 HA -0.24 0.22 0.66 -0.75 4.76 4.64 2dryA1 ASN 187 HB2 -1.08 -0.00 0.13 -0.04 2.88 1.88 2dryA1 ASN 187 HB3 -0.48 0.13 -0.11 -0.04 2.79 2.30 2dryA1 ASN 187 HD21 -0.16 -0.01 -0.13 -0.04 7.03 6.69 2dryA1 ASN 187 HD22 -0.40 0.23 -0.02 -0.04 7.74 7.51 2dryA1 ASP 188 H -0.03 0.37 0.01 -0.55 8.40 8.21 2dryA1 ASP 188 HA 0.21 0.14 0.36 -0.75 4.63 4.58 2dryA1 ASP 188 HB2 0.12 0.20 0.13 -0.04 2.71 3.11 2dryA1 ASP 188 HB3 0.21 -0.08 0.17 -0.04 2.70 2.96 2dryA1 PHE 189 H 0.00 -0.09 -0.47 -0.55 8.34 7.23 2dryA1 PHE 189 HA 0.09 0.05 0.54 -0.75 4.62 4.54 2dryA1 PHE 189 HB2 0.04 -0.09 -0.04 -0.04 3.15 3.02 2dryA1 PHE 189 HB3 0.08 0.04 -0.02 -0.04 3.06 3.13 2dryA1 PHE 189 HD2 0.04 -0.01 -0.22 -0.04 7.28 7.06 2dryA1 PHE 189 HE2 0.02 0.02 -0.13 -0.04 7.38 7.25 2dryA1 PHE 189 HZ 0.02 -0.01 0.01 -0.04 7.32 7.30 2dryA1 ALA 190 H 0.22 0.62 0.35 -0.55 8.40 9.04 2dryA1 ALA 190 HA 0.18 0.26 0.87 -0.75 4.34 4.90 2dryA1 ALA 190 HB3 0.29 0.03 0.16 -0.04 1.41 1.85 2dryA1 ILE 191 H 0.20 0.20 0.14 -0.55 8.25 8.24 2dryA1 ILE 191 HA 0.05 0.10 0.54 -0.75 4.18 4.11 2dryA1 ILE 191 HB -0.04 -0.04 0.01 -0.04 1.89 1.78 2dryA1 ILE 191 HG12 -0.27 0.02 -0.17 -0.04 1.49 1.03 2dryA1 ILE 191 HG13 -0.08 0.00 -0.17 -0.04 1.21 0.93 2dryA1 ILE 191 HG23 -0.58 -0.01 -0.25 -0.04 0.93 0.06 2dryA1 ILE 191 HD13 -0.52 -0.01 -0.16 -0.04 0.88 0.15 2dryA1 ASP 192 H 0.00 0.56 0.31 -0.55 8.40 8.72 2dryA1 ASP 192 HA 0.22 0.41 1.01 -0.75 4.63 5.51 2dryA1 ASP 192 HB2 0.04 0.02 -0.19 -0.04 2.71 2.54 2dryA1 ASP 192 HB3 -0.01 0.16 -0.03 -0.04 2.70 2.78 2dryA1 ALA 193 H 0.26 0.47 0.12 -0.55 8.40 8.70 2dryA1 ALA 193 HA 0.04 0.20 0.79 -0.75 4.34 4.61 2dryA1 ALA 193 HB3 0.19 0.00 0.01 -0.04 1.41 1.57 2dryA1 SER 194 H -0.00 0.09 -0.26 -0.55 8.46 7.73 2dryA1 SER 194 HA 0.08 0.10 0.50 -0.75 4.49 4.41 2dryA1 SER 194 HB2 -0.26 0.01 -0.03 -0.04 3.95 3.62 2dryA1 SER 194 HB3 0.00 0.01 0.01 -0.04 3.93 3.91 2dryA1 HIS 195 H 0.02 0.05 -0.20 -0.55 8.41 7.73 2dryA1 HIS 195 HA 0.03 0.20 0.78 -0.75 4.63 4.89 2dryA1 HIS 195 HB2 0.02 0.13 0.03 -0.04 3.26 3.41 2dryA1 HIS 195 HB3 0.01 -0.16 0.17 -0.04 3.20 3.17 2dryA1 HIS 195 HD2 0.02 0.16 -0.44 -0.04 6.97 6.67 2dryA1 HIS 195 HE1 0.00 0.02 -0.03 -0.04 7.75 7.69 2dryA1 GLU 196 H 0.09 0.08 0.11 -0.55 8.60 8.33 2dryA1 GLU 196 HA 0.06 0.09 0.36 -0.75 4.29 4.04 2dryA1 GLU 196 HB2 -0.00 -0.03 0.12 -0.04 2.09 2.13 2dryA1 GLU 196 HB3 -0.01 0.01 0.03 -0.04 1.99 1.98 2dryA1 GLU 196 HG2 0.01 0.04 0.04 -0.04 2.34 2.39 2dryA1 GLU 196 HG3 -0.02 -0.03 0.10 -0.04 2.34 2.35 2dryA1 GLN 197 H 0.07 0.08 -0.08 -0.55 8.47 7.99 2dryA1 GLN 197 HA 0.12 0.24 0.96 -0.75 4.36 4.92 2dryA1 GLN 197 HB2 0.11 0.03 0.20 -0.04 2.15 2.44 2dryA1 GLN 197 HB3 -0.06 -0.06 -0.02 -0.04 2.02 1.84 2dryA1 GLN 197 HG2 0.05 0.15 -0.15 -0.04 2.40 2.40 2dryA1 GLN 197 HG3 -0.01 -0.04 0.01 -0.04 2.39 2.31 2dryA1 GLN 197 HE21 -0.02 -0.04 0.03 -0.04 6.97 6.90 2dryA1 GLN 197 HE22 -0.09 0.05 -0.03 -0.04 7.69 7.58 2dryA1 ILE 198 H 0.05 0.65 0.34 -0.55 8.25 8.75 2dryA1 ILE 198 HA -0.02 0.22 0.56 -0.75 4.18 4.19 2dryA1 ILE 198 HB -0.17 -0.02 -0.01 -0.04 1.89 1.65 2dryA1 ILE 198 HG12 -0.03 0.03 0.09 -0.04 1.49 1.55 2dryA1 ILE 198 HG13 -0.02 -0.07 -0.13 -0.04 1.21 0.95 2dryA1 ILE 198 HG23 -0.20 0.01 -0.21 -0.04 0.93 0.49 2dryA1 ILE 198 HD13 -0.23 -0.01 -0.15 -0.04 0.88 0.45 2dryA1 GLU 199 H -0.01 0.58 0.43 -0.55 8.60 9.05 2dryA1 GLU 199 HA 0.06 0.09 0.63 -0.75 4.29 4.31 2dryA1 GLU 199 HB2 0.04 -0.05 -0.34 -0.04 2.09 1.71 2dryA1 GLU 199 HB3 0.05 -0.01 -0.32 -0.04 1.99 1.67 2dryA1 GLU 199 HG2 0.00 0.08 -0.11 -0.04 2.34 2.27 2dryA1 GLU 199 HG3 -0.05 -0.06 -0.14 -0.04 2.34 2.06 2dryA1 THR 200 H 0.10 0.52 0.20 -0.55 8.28 8.55 2dryA1 THR 200 HA 0.14 0.33 0.76 -0.75 4.39 4.87 2dryA1 THR 200 HB 0.41 -0.04 -0.02 -0.04 4.32 4.63 2dryA1 THR 200 HG23 0.23 0.02 -0.10 -0.04 1.22 1.33 2dryA1 GLN 201 H 0.01 0.58 0.27 -0.55 8.47 8.79 2dryA1 GLN 201 HA -0.42 0.04 0.58 -0.75 4.36 3.80 2dryA1 GLN 201 HB2 -0.06 -0.01 -0.14 -0.04 2.15 1.90 2dryA1 GLN 201 HB3 -0.15 0.08 0.02 -0.04 2.02 1.93 2dryA1 GLN 201 HG2 -0.08 0.05 -0.71 -0.04 2.40 1.63 2dryA1 GLN 201 HG3 -0.11 -0.08 -0.15 -0.04 2.39 2.01 2dryA1 GLN 201 HE21 -0.06 0.01 -0.04 -0.04 6.97 6.83 2dryA1 GLN 201 HE22 -0.15 -0.04 -0.06 -0.04 7.69 7.40 2dryA1 PRO 202 HA -0.08 0.04 0.57 -0.51 4.44 4.45 2dryA1 PRO 202 HB2 -0.03 0.11 0.02 -0.04 2.28 2.34 2dryA1 PRO 202 HB3 -0.11 0.05 0.13 -0.04 2.02 2.04 2dryA1 PRO 202 HG2 -0.15 0.02 0.07 -0.04 2.03 1.93 2dryA1 PRO 202 HG3 -0.16 0.05 0.08 -0.04 2.03 1.96 2dryA1 PRO 202 HD2 -0.34 0.08 0.23 -0.04 3.68 3.60 2dryA1 PRO 202 HD3 -0.83 0.13 0.16 -0.04 3.65 3.07 2dryA1 PHE 203 H 0.27 0.15 0.25 -0.55 8.34 8.46 2dryA1 PHE 203 HA 0.02 0.07 0.43 -0.75 4.62 4.38 2dryA1 PHE 203 HB2 0.07 0.09 0.16 -0.04 3.15 3.43 2dryA1 PHE 203 HB3 0.06 -0.02 0.14 -0.04 3.06 3.20 2dryA1 PHE 203 HD2 0.04 0.08 -0.03 -0.04 7.28 7.34 2dryA1 PHE 203 HE2 0.01 -0.01 -0.13 -0.04 7.38 7.21 2dryA1 PHE 203 HZ -0.00 -0.01 -0.09 -0.04 7.32 7.18 2dryA1 ASP 204 H -0.57 0.23 0.11 -0.55 8.40 7.62 2dryA1 ASP 204 HA -0.37 0.22 0.80 -0.75 4.63 4.52 2dryA1 ASP 204 HB2 -0.16 0.16 -0.08 -0.04 2.71 2.59 2dryA1 ASP 204 HB3 -0.20 -0.04 0.15 -0.04 2.70 2.57 2dryA1 PRO 205 HA -0.35 0.09 0.36 -0.51 4.44 4.02 2dryA1 PRO 205 HB2 -0.05 0.05 -0.00 -0.04 2.28 2.23 2dryA1 PRO 205 HB3 -0.02 0.02 0.08 -0.04 2.02 2.06 2dryA1 PRO 205 HG2 -0.12 0.01 0.01 -0.04 2.03 1.89 2dryA1 PRO 205 HG3 -0.06 0.07 0.04 -0.04 2.03 2.03 2dryA1 PRO 205 HD2 -0.25 0.14 0.19 -0.04 3.68 3.72 2dryA1 PRO 205 HD3 -0.35 0.17 0.05 -0.04 3.65 3.47 2dryA1 ASN 206 H -0.19 0.05 -0.49 -0.55 8.53 7.36 2dryA1 ASN 206 HA -0.08 0.20 0.71 -0.75 4.76 4.84 2dryA1 ASN 206 HB2 -0.08 -0.00 -0.02 -0.04 2.88 2.74 2dryA1 ASN 206 HB3 -0.06 0.02 0.12 -0.04 2.79 2.83 2dryA1 ASN 206 HD21 -0.04 0.01 -0.03 -0.04 7.03 6.93 2dryA1 ASN 206 HD22 -0.04 0.01 -0.01 -0.04 7.74 7.65 2dryA1 ASN 207 H -0.17 0.54 -0.29 -0.55 8.53 8.06 2dryA1 ASN 207 HA -0.05 0.23 0.89 -0.75 4.76 5.07 2dryA1 ASN 207 HB2 -0.09 -0.00 0.00 -0.04 2.88 2.75 2dryA1 ASN 207 HB3 -0.09 0.04 0.20 -0.04 2.79 2.90 2dryA1 ASN 207 HD21 -0.02 0.00 -0.05 -0.04 7.03 6.92 2dryA1 ASN 207 HD22 -0.05 0.04 -0.04 -0.04 7.74 7.65 2dryA1 PRO 208 HA -0.09 0.07 0.35 -0.51 4.44 4.25 2dryA1 PRO 208 HB2 -0.05 0.03 -0.03 -0.04 2.28 2.20 2dryA1 PRO 208 HB3 -0.08 0.01 0.07 -0.04 2.02 1.98 2dryA1 PRO 208 HG2 -0.04 0.05 0.05 -0.04 2.03 2.06 2dryA1 PRO 208 HG3 -0.05 0.07 0.01 -0.04 2.03 2.02 2dryA1 PRO 208 HD2 -0.03 0.06 0.17 -0.04 3.68 3.84 2dryA1 PRO 208 HD3 -0.05 0.50 0.11 -0.04 3.65 4.17 2dryA1 LYS 209 H -0.00 0.10 -0.51 -0.55 8.42 7.45 2dryA1 LYS 209 HA 0.05 0.17 0.55 -0.75 4.32 4.33 2dryA1 LYS 209 HB2 0.08 0.01 -0.07 -0.04 1.87 1.85 2dryA1 LYS 209 HB3 0.20 -0.18 -0.02 -0.04 1.79 1.75 2dryA1 LYS 209 HG2 0.12 0.06 -0.11 -0.04 1.46 1.49 2dryA1 LYS 209 HG3 0.04 -0.06 -0.10 -0.04 1.46 1.30 2dryA1 LYS 209 HD2 0.06 -0.04 -0.06 -0.04 1.69 1.60 2dryA1 LYS 209 HD3 0.11 0.18 -0.23 -0.04 1.68 1.70 2dryA1 LYS 209 HE2 0.08 0.02 -0.04 -0.04 2.99 3.01 2dryA1 LYS 209 HE3 0.05 -0.05 -0.04 -0.04 2.99 2.91 2dryA1 ARG 210 H 0.02 0.53 -0.30 -0.55 8.46 8.16 2dryA1 ARG 210 HA 0.35 0.52 1.08 -0.75 4.34 5.54 2dryA1 ARG 210 HB2 0.03 0.11 0.11 -0.04 1.90 2.11 2dryA1 ARG 210 HB3 0.21 -0.06 0.13 -0.04 1.80 2.04 2dryA1 ARG 210 HG2 0.10 0.05 -0.16 -0.04 1.67 1.62 2dryA1 ARG 210 HG3 0.04 -0.15 -0.26 -0.04 1.67 1.27 2dryA1 ARG 210 HD2 -0.06 -0.06 0.01 -0.04 3.22 3.06 2dryA1 ARG 210 HD3 0.00 0.12 -0.17 -0.04 3.22 3.13 2dryA1 ALA 211 H -0.19 0.25 -0.16 -0.55 8.40 7.76 2dryA1 ALA 211 HA 0.12 0.17 0.97 -0.75 4.34 4.84 2dryA1 ALA 211 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 2dryA1 TRP 212 H 0.17 0.26 0.14 -0.55 7.97 7.99 2dryA1 TRP 212 HA -0.03 0.27 0.97 -0.75 4.62 5.07 2dryA1 TRP 212 HB2 -0.08 -0.05 0.01 -0.04 3.23 3.07 2dryA1 TRP 212 HB3 -0.09 0.05 -0.15 -0.04 3.23 3.00 2dryA1 TRP 212 HD1 0.01 0.15 -0.34 -0.04 7.22 7.00 2dryA1 TRP 212 HE1 0.01 0.38 -0.30 -0.04 10.20 10.25 2dryA1 TRP 212 HE3 -0.06 0.03 -0.61 -0.04 7.59 6.91 2dryA1 TRP 212 HZ2 0.02 -0.01 -0.12 -0.04 7.44 7.29 2dryA1 TRP 212 HZ3 -0.03 0.10 -0.16 -0.04 7.13 7.00 2dryA1 TRP 212 HH2 0.02 -0.02 -0.22 -0.04 7.19 6.93 2dryA1 ILE 213 H 0.07 0.70 0.26 -0.55 8.25 8.73 2dryA1 ILE 213 HA 0.05 0.27 1.05 -0.75 4.18 4.79 2dryA1 ILE 213 HB -0.00 0.04 0.08 -0.04 1.89 1.97 2dryA1 ILE 213 HG12 -0.04 0.05 -0.15 -0.04 1.49 1.32 2dryA1 ILE 213 HG13 0.00 -0.06 -0.46 -0.04 1.21 0.65 2dryA1 ILE 213 HG23 -0.03 -0.01 -0.39 -0.04 0.93 0.46 2dryA1 ILE 213 HD13 -0.03 0.01 -0.12 -0.04 0.88 0.69 2dryA1 VAL 214 H 0.00 0.24 0.18 -0.55 8.24 8.11 2dryA1 VAL 214 HA -0.01 0.20 0.81 -0.75 4.13 4.37 2dryA1 VAL 214 HB -0.06 -0.01 0.14 -0.04 2.12 2.15 2dryA1 VAL 214 HG13 -0.08 -0.02 -0.16 -0.04 0.97 0.67 2dryA1 VAL 214 HG23 -0.08 0.00 -0.11 -0.04 0.95 0.72 2dryA1 SER 215 H 0.00 0.82 0.16 -0.55 8.46 8.89 2dryA1 SER 215 HA -0.01 0.11 0.80 -0.75 4.49 4.63 2dryA1 SER 215 HB2 -0.01 0.02 -0.20 -0.04 3.95 3.72 2dryA1 SER 215 HB3 0.00 -0.00 0.11 -0.04 3.93 4.00 2dryA1 GLY 216 H -0.02 0.17 0.05 -0.55 8.43 8.09 2dryA1 GLY 216 HA2 -0.01 0.04 0.36 -0.51 4.01 3.89 2dryA1 GLY 216 HA3 -0.01 0.04 0.56 -0.51 4.01 4.09 2dryA1 ASN 217 H 0.00 0.15 0.25 -0.55 8.53 8.38 2dryA1 ASN 217 HA 0.04 0.29 0.88 -0.75 4.76 5.21 2dryA1 ASN 217 HB2 -0.00 -0.02 0.17 -0.04 2.88 2.98 2dryA1 ASN 217 HB3 0.00 -0.07 0.32 -0.04 2.79 3.00 2dryA1 ASN 217 HD21 -0.01 -0.01 0.00 -0.04 7.03 6.98 2dryA1 ASN 217 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.73 2dryA1 THR 218 H 0.03 0.43 -0.31 -0.55 8.28 7.89 2dryA1 THR 218 HA 0.14 0.30 1.09 -0.75 4.39 5.17 2dryA1 THR 218 HB 0.03 0.05 0.03 -0.04 4.32 4.39 2dryA1 THR 218 HG23 -0.00 -0.01 -0.03 -0.04 1.22 1.14 2dryA1 ILE 219 H 0.10 0.28 0.09 -0.55 8.25 8.17 2dryA1 ILE 219 HA 0.02 0.29 0.84 -0.75 4.18 4.58 2dryA1 ILE 219 HB -0.24 -0.08 0.14 -0.04 1.89 1.67 2dryA1 ILE 219 HG12 -0.32 -0.01 -0.23 -0.04 1.49 0.89 2dryA1 ILE 219 HG13 -0.66 -0.02 -0.16 -0.04 1.21 0.33 2dryA1 ILE 219 HG23 -0.07 0.00 -0.19 -0.04 0.93 0.63 2dryA1 ILE 219 HD13 -0.11 0.02 -0.25 -0.04 0.88 0.49 2dryA1 ALA 220 H 0.10 0.47 0.14 -0.55 8.40 8.57 2dryA1 ALA 220 HA 0.26 0.23 1.08 -0.75 4.34 5.15 2dryA1 ALA 220 HB3 0.02 0.00 -0.06 -0.04 1.41 1.33 2dryA1 GLN 221 H -0.07 0.69 0.27 -0.55 8.47 8.81 2dryA1 GLN 221 HA -1.41 0.15 0.62 -0.75 4.36 2.97 2dryA1 GLN 221 HB2 -1.11 0.02 0.08 -0.04 2.15 1.10 2dryA1 GLN 221 HB3 -0.33 0.15 0.18 -0.04 2.02 1.98 2dryA1 GLN 221 HG2 -0.38 -0.33 -0.14 -0.04 2.40 1.50 2dryA1 GLN 221 HG3 -0.88 0.19 0.11 -0.04 2.39 1.78 2dryA1 GLN 221 HE21 -0.06 -0.05 -0.21 -0.04 6.97 6.60 2dryA1 GLN 221 HE22 -0.25 0.46 -0.25 -0.04 7.69 7.60 2dryA1 LEU 222 H -0.46 0.74 0.33 -0.55 8.37 8.43 2dryA1 LEU 222 HA -0.13 0.06 0.26 -0.75 4.35 3.78 2dryA1 LEU 222 HB2 -0.13 -0.01 -0.06 -0.04 1.64 1.40 2dryA1 LEU 222 HB3 -0.17 -0.01 0.11 -0.04 1.64 1.54 2dryA1 LEU 222 HG -0.07 0.00 -0.27 -0.04 1.64 1.26 2dryA1 LEU 222 HD13 -0.05 0.00 -0.03 -0.04 0.93 0.82 2dryA1 LEU 222 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 2dryA1 SER 223 H -0.23 0.14 -0.15 -0.55 8.46 7.68 2dryA1 SER 223 HA -0.08 0.16 0.60 -0.75 4.49 4.41 2dryA1 SER 223 HB2 -0.07 0.00 0.13 -0.04 3.95 3.97 2dryA1 SER 223 HB3 -0.09 0.00 0.07 -0.04 3.93 3.86 2dryA1 ASP 224 H -0.16 0.40 -0.65 -0.55 8.40 7.44 2dryA1 ASP 224 HA -0.06 0.09 0.56 -0.75 4.63 4.47 2dryA1 ASP 224 HB2 -0.06 0.14 -0.18 -0.04 2.71 2.57 2dryA1 ASP 224 HB3 -0.09 -0.01 0.06 -0.04 2.70 2.62 2dryA1 ARG 225 H -0.05 0.20 0.02 -0.55 8.46 8.07 2dryA1 ARG 225 HA -0.05 0.15 0.33 -0.75 4.34 4.02 2dryA1 ARG 225 HB2 -0.03 -0.03 0.01 -0.04 1.90 1.81 2dryA1 ARG 225 HB3 -0.03 0.01 0.07 -0.04 1.80 1.81 2dryA1 ARG 225 HG2 -0.04 -0.01 0.03 -0.04 1.67 1.61 2dryA1 ARG 225 HG3 -0.03 -0.01 0.00 -0.04 1.67 1.59 2dryA1 ARG 225 HD2 -0.05 -0.06 -0.11 -0.04 3.22 2.95 2dryA1 ARG 225 HD3 -0.08 0.16 -0.13 -0.04 3.22 3.12 2dryA1 ASP 226 H -0.03 0.01 -0.58 -0.55 8.40 7.25 2dryA1 ASP 226 HA -0.03 0.12 0.56 -0.75 4.63 4.53 2dryA1 ASP 226 HB2 -0.01 -0.00 -0.00 -0.04 2.71 2.65 2dryA1 ASP 226 HB3 -0.02 -0.02 0.09 -0.04 2.70 2.71 2dryA1 ASN 227 H -0.01 0.64 -0.20 -0.55 8.53 8.42 2dryA1 ASN 227 HA 0.06 0.11 0.58 -0.75 4.76 4.75 2dryA1 ASN 227 HB2 0.05 -0.07 -0.03 -0.04 2.88 2.79 2dryA1 ASN 227 HB3 0.04 0.02 0.16 -0.04 2.79 2.96 2dryA1 ASN 227 HD21 0.37 0.05 -0.16 -0.04 7.03 7.26 2dryA1 ASN 227 HD22 0.20 -0.05 -0.09 -0.04 7.74 7.76 2dryA1 VAL 228 H -0.03 0.56 0.19 -0.55 8.24 8.40 2dryA1 VAL 228 HA 0.28 0.17 1.13 -0.75 4.13 4.95 2dryA1 VAL 228 HB 0.01 0.04 0.08 -0.04 2.12 2.21 2dryA1 VAL 228 HG13 0.00 -0.04 -0.32 -0.04 0.97 0.57 2dryA1 VAL 228 HG23 -0.23 0.03 -0.04 -0.04 0.95 0.67 2dryA1 LEU 229 H -0.00 0.52 0.30 -0.55 8.37 8.64 2dryA1 LEU 229 HA -0.13 0.16 0.58 -0.75 4.35 4.20 2dryA1 LEU 229 HB2 -0.24 -0.05 0.04 -0.04 1.64 1.34 2dryA1 LEU 229 HB3 -0.21 -0.03 -0.01 -0.04 1.64 1.36 2dryA1 LEU 229 HG -0.50 0.08 -0.05 -0.04 1.64 1.14 2dryA1 LEU 229 HD13 -0.61 -0.02 -0.14 -0.04 0.93 0.12 2dryA1 LEU 229 HD23 -1.00 -0.02 -0.25 -0.04 0.89 -0.42 2dryA1 GLY 230 H 0.14 0.41 0.39 -0.55 8.43 8.83 2dryA1 GLY 230 HA2 0.08 0.29 0.83 -0.51 4.01 4.70 2dryA1 GLY 230 HA3 -0.17 -0.03 0.23 -0.51 4.01 3.54 2dryA1 VAL 231 H 0.10 0.64 0.35 -0.55 8.24 8.79 2dryA1 VAL 231 HA 0.11 0.23 0.82 -0.75 4.13 4.54 2dryA1 VAL 231 HB 0.01 -0.07 0.18 -0.04 2.12 2.21 2dryA1 VAL 231 HG13 0.03 -0.02 -0.16 -0.04 0.97 0.77 2dryA1 VAL 231 HG23 0.15 0.01 -0.03 -0.04 0.95 1.04 2dryA1 ILE 232 H -0.16 0.71 0.27 -0.55 8.25 8.52 2dryA1 ILE 232 HA -0.07 0.11 0.88 -0.75 4.18 4.35 2dryA1 ILE 232 HB -0.76 -0.04 0.04 -0.04 1.89 1.09 2dryA1 ILE 232 HG12 -0.14 0.04 -0.15 -0.04 1.49 1.20 2dryA1 ILE 232 HG13 -0.01 0.01 -0.49 -0.04 1.21 0.68 2dryA1 ILE 232 HG23 -0.10 0.04 -0.11 -0.04 0.93 0.72 2dryA1 ILE 232 HD13 -0.36 -0.00 -0.12 -0.04 0.88 0.36 2dryA1 LYS 233 H -0.04 0.14 0.07 -0.55 8.42 8.03 2dryA1 LYS 233 HA -0.00 -0.06 0.47 -0.75 4.32 3.98 2dryA1 LYS 233 HB2 -0.01 0.03 0.06 -0.04 1.87 1.91 2dryA1 LYS 233 HB3 0.00 0.08 0.07 -0.04 1.79 1.90 2dryA1 LYS 233 HG2 -0.00 -0.04 0.03 -0.04 1.46 1.41 2dryA1 LYS 233 HG3 -0.01 -0.03 0.03 -0.04 1.46 1.40 2dryA1 LYS 233 HD2 -0.01 0.00 -0.03 -0.04 1.69 1.62 2dryA1 LYS 233 HD3 -0.01 0.02 0.01 -0.04 1.68 1.65 2dryA1 LYS 233 HE2 -0.00 0.06 0.00 -0.04 2.99 3.01 2dryA1 LYS 233 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.92 2dryA1 SER 234 H 0.05 0.13 0.06 -0.55 8.46 8.15 2dryA1 SER 234 HA 0.13 0.12 0.44 -0.75 4.49 4.42 2dryA1 SER 234 HB2 0.10 0.29 -0.19 -0.04 3.95 4.12 2dryA1 SER 234 HB3 0.06 0.20 -0.00 -0.04 3.93 4.14 2dryA1 ASP 235 H 0.05 0.14 0.18 -0.55 8.40 8.23 2dryA1 ASP 235 HA 0.02 0.22 0.76 -0.75 4.63 4.87 2dryA1 ASP 235 HB2 0.02 -0.02 0.09 -0.04 2.71 2.76 2dryA1 ASP 235 HB3 0.01 0.02 0.10 -0.04 2.70 2.79 2dryA1 LYS 236 H 0.03 -0.06 -0.02 -0.55 8.42 7.83 2dryA1 LYS 236 HA 0.01 0.31 0.94 -0.75 4.32 4.83 2dryA1 LYS 236 HB2 0.03 -0.04 0.04 -0.04 1.87 1.85 2dryA1 LYS 236 HB3 0.02 0.07 0.16 -0.04 1.79 1.99 2dryA1 LYS 236 HG2 0.01 0.10 -0.12 -0.04 1.46 1.41 2dryA1 LYS 236 HG3 0.02 -0.16 -0.08 -0.04 1.46 1.20 2dryA1 LYS 236 HD2 0.01 0.04 0.00 -0.04 1.69 1.70 2dryA1 LYS 236 HD3 0.00 0.02 -0.01 -0.04 1.68 1.65 2dryA1 LYS 236 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 2dryA1 LYS 236 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.95 2dryA1 GLY 237 H 0.02 0.13 -0.27 -0.55 8.43 7.77 2dryA1 GLY 237 HA2 0.02 0.05 0.25 -0.51 4.01 3.82 2dryA1 GLY 237 HA3 0.02 0.15 0.49 -0.51 4.01 4.16 2dryA1 ALA 238 H 0.05 -0.16 -0.27 -0.55 8.40 7.47 2dryA1 ALA 238 HA 0.07 0.18 0.61 -0.75 4.34 4.45 2dryA1 ALA 238 HB3 0.07 -0.01 0.06 -0.04 1.41 1.49 2dryA1 SER 239 H 0.15 0.09 0.15 -0.55 8.46 8.30 2dryA1 SER 239 HA 0.09 0.07 0.55 -0.75 4.49 4.44 2dryA1 SER 239 HB2 0.23 -0.04 0.11 -0.04 3.95 4.21 2dryA1 SER 239 HB3 0.26 0.22 0.21 -0.04 3.93 4.57 2dryA1 ALA 240 H 0.09 0.11 0.24 -0.55 8.40 8.28 2dryA1 ALA 240 HA 0.08 0.05 0.54 -0.75 4.34 4.25 2dryA1 ALA 240 HB3 0.03 -0.01 -0.00 -0.04 1.41 1.39 2dryA1 HIS 241 H -0.14 0.50 0.29 -0.55 8.41 8.51 2dryA1 HIS 241 HA 0.08 0.25 1.01 -0.75 4.63 5.21 2dryA1 HIS 241 HB2 0.05 0.00 0.24 -0.04 3.26 3.51 2dryA1 HIS 241 HB3 0.05 -0.01 0.03 -0.04 3.20 3.23 2dryA1 HIS 241 HD2 0.03 0.08 -0.17 -0.04 6.97 6.87 2dryA1 HIS 241 HE1 -0.01 -0.02 -0.09 -0.04 7.75 7.59 2dryA1 ILE 242 H 0.19 0.28 0.33 -0.55 8.25 8.50 2dryA1 ILE 242 HA 0.07 0.32 1.18 -0.75 4.18 4.99 2dryA1 ILE 242 HB -0.01 -0.03 0.06 -0.04 1.89 1.86 2dryA1 ILE 242 HG12 0.08 -0.03 -0.49 -0.04 1.49 1.00 2dryA1 ILE 242 HG13 -0.01 -0.02 -0.25 -0.04 1.21 0.89 2dryA1 ILE 242 HG23 -0.05 0.03 -0.09 -0.04 0.93 0.78 2dryA1 ILE 242 HD13 0.14 0.03 -0.23 -0.04 0.88 0.78 2dryA1 CYS 243 H 0.25 0.57 0.40 -0.55 8.50 9.17 2dryA1 CYS 243 HA 0.11 0.10 0.73 -0.75 4.58 4.76 2dryA1 CYS 243 HB2 0.15 0.12 0.19 -0.04 2.97 3.39 2dryA1 CYS 243 HB3 0.19 0.00 -0.10 -0.04 2.97 3.02 2dryA1 ALA 244 H 0.20 0.26 0.13 -0.55 8.40 8.45 2dryA1 ALA 244 HA 0.18 0.33 1.00 -0.75 4.34 5.09 2dryA1 ALA 244 HB3 0.15 -0.01 -0.15 -0.04 1.41 1.36 2dryA1 TRP 245 H 0.04 0.66 0.27 -0.55 7.97 8.39 2dryA1 TRP 245 HA 0.10 0.07 0.52 -0.75 4.62 4.56 2dryA1 TRP 245 HB2 0.10 -0.09 0.15 -0.04 3.23 3.35 2dryA1 TRP 245 HB3 0.08 0.09 -0.29 -0.04 3.23 3.07 2dryA1 TRP 245 HD1 0.23 -0.04 -0.05 -0.04 7.22 7.32 2dryA1 TRP 245 HE1 0.10 -0.06 -0.07 -0.04 10.20 10.14 2dryA1 TRP 245 HE3 0.05 -0.14 -0.57 -0.04 7.59 6.89 2dryA1 TRP 245 HZ2 0.02 -0.07 -0.10 -0.04 7.44 7.24 2dryA1 TRP 245 HZ3 0.01 0.08 -0.08 -0.04 7.13 7.11 2dryA1 TRP 245 HH2 -0.00 0.01 -0.25 -0.04 7.19 6.90 2dryA1 LYS 246 H 0.35 0.08 0.14 -0.55 8.42 8.43 2dryA1 LYS 246 HA -0.01 0.26 0.54 -0.75 4.32 4.35 2dryA1 LYS 246 HB2 0.11 -0.04 0.14 -0.04 1.87 2.05 2dryA1 LYS 246 HB3 0.24 -0.04 0.10 -0.04 1.79 2.04 2dryA1 LYS 246 HG2 -0.33 0.22 -0.23 -0.04 1.46 1.07 2dryA1 LYS 246 HG3 -0.08 -0.02 0.10 -0.04 1.46 1.42 2dryA1 LYS 246 HD2 0.03 -0.04 0.02 -0.04 1.69 1.65 2dryA1 LYS 246 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.60 2dryA1 LYS 246 HE2 -0.02 -0.04 0.00 -0.04 2.99 2.89 2dryA1 LYS 246 HE3 -0.21 0.09 0.01 -0.04 2.99 2.84 2dryA1 GLN 247 H -0.13 0.36 0.32 -0.55 8.47 8.48 2dryA1 GLN 247 HA -0.25 0.03 0.51 -0.75 4.36 3.90 2dryA1 GLN 247 HB2 -0.11 0.09 0.16 -0.04 2.15 2.25 2dryA1 GLN 247 HB3 -0.12 -0.02 0.22 -0.04 2.02 2.06 2dryA1 GLN 247 HG2 -0.07 0.03 -0.00 -0.04 2.40 2.31 2dryA1 GLN 247 HG3 -0.10 -0.08 -0.28 -0.04 2.39 1.90 2dryA1 GLN 247 HE21 -0.07 0.11 0.02 -0.04 6.97 7.00 2dryA1 GLN 247 HE22 -0.06 0.03 0.02 -0.04 7.69 7.64 2dryA1 HIS 248 H -0.08 0.09 0.23 -0.55 8.41 8.10 2dryA1 HIS 248 HA 0.01 0.25 0.91 -0.75 4.63 5.05 2dryA1 HIS 248 HB2 0.13 0.00 0.08 -0.04 3.26 3.43 2dryA1 HIS 248 HB3 0.10 -0.04 0.19 -0.04 3.20 3.40 2dryA1 HIS 248 HD2 0.40 0.20 -0.10 -0.04 6.97 7.42 2dryA1 HIS 248 HE1 0.08 -0.03 -0.01 -0.04 7.75 7.74 2dryA1 GLY 249 H -0.04 0.09 0.01 -0.55 8.43 7.94 2dryA1 GLY 249 HA2 -0.02 0.04 0.30 -0.51 4.01 3.82 2dryA1 GLY 249 HA3 0.01 0.09 0.31 -0.51 4.01 3.90 2dryA1 GLY 250 H 0.04 -0.01 -0.43 -0.55 8.43 7.49 2dryA1 GLY 250 HA2 0.01 0.21 0.57 -0.51 4.01 4.30 2dryA1 GLY 250 HA3 0.04 -0.01 0.31 -0.51 4.01 3.84 2dryA1 PRO 251 HA -0.09 0.13 0.45 -0.51 4.44 4.42 2dryA1 PRO 251 HB2 -0.07 0.14 -0.12 -0.04 2.28 2.19 2dryA1 PRO 251 HB3 -0.05 0.07 0.11 -0.04 2.02 2.11 2dryA1 PRO 251 HG2 -0.03 -0.02 0.06 -0.04 2.03 1.99 2dryA1 PRO 251 HG3 -0.02 0.09 0.10 -0.04 2.03 2.16 2dryA1 PRO 251 HD2 -0.00 0.07 0.25 -0.04 3.68 3.95 2dryA1 PRO 251 HD3 -0.02 0.20 0.21 -0.04 3.65 4.00 2dryA1 ASN 252 H -0.02 0.10 -0.34 -0.55 8.53 7.72 2dryA1 ASN 252 HA -0.10 0.00 0.48 -0.75 4.76 4.38 2dryA1 ASN 252 HB2 0.14 0.20 0.18 -0.04 2.88 3.37 2dryA1 ASN 252 HB3 0.05 -0.01 0.12 -0.04 2.79 2.92 2dryA1 ASN 252 HD21 0.37 -0.00 -0.03 -0.04 7.03 7.33 2dryA1 ASN 252 HD22 0.27 0.08 0.01 -0.04 7.74 8.05 2dryA1 GLN 253 H -0.13 0.34 -0.46 -0.55 8.47 7.67 2dryA1 GLN 253 HA -0.16 0.29 1.03 -0.75 4.36 4.77 2dryA1 GLN 253 HB2 -0.17 -0.08 0.06 -0.04 2.15 1.91 2dryA1 GLN 253 HB3 -0.21 0.03 0.19 -0.04 2.02 1.99 2dryA1 GLN 253 HG2 -0.81 0.21 -0.17 -0.04 2.40 1.59 2dryA1 GLN 253 HG3 -0.35 -0.16 -0.22 -0.04 2.39 1.63 2dryA1 GLN 253 HE21 -1.20 0.36 -0.34 -0.04 6.97 5.75 2dryA1 GLN 253 HE22 -1.79 0.12 -0.16 -0.04 7.69 5.81 2dryA1 LYS 254 H -0.37 0.38 -0.25 -0.55 8.42 7.62 2dryA1 LYS 254 HA -0.10 0.39 1.05 -0.75 4.32 4.91 2dryA1 LYS 254 HB2 -0.16 -0.04 0.16 -0.04 1.87 1.79 2dryA1 LYS 254 HB3 -0.09 0.01 0.09 -0.04 1.79 1.75 2dryA1 LYS 254 HG2 -0.06 0.03 -0.10 -0.04 1.46 1.28 2dryA1 LYS 254 HG3 -0.10 0.08 -0.24 -0.04 1.46 1.16 2dryA1 LYS 254 HD2 -0.06 -0.05 -0.06 -0.04 1.69 1.48 2dryA1 LYS 254 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.53 2dryA1 LYS 254 HE2 -0.04 0.07 -0.44 -0.04 2.99 2.53 2dryA1 LYS 254 HE3 -0.03 -0.03 -0.07 -0.04 2.99 2.81 2dryA1 PHE 255 H 0.08 0.82 0.37 -0.55 8.34 9.06 2dryA1 PHE 255 HA -0.01 0.20 0.95 -0.75 4.62 5.01 2dryA1 PHE 255 HB2 -0.03 -0.02 -0.24 -0.04 3.15 2.82 2dryA1 PHE 255 HB3 -0.01 -0.05 -0.16 -0.04 3.06 2.80 2dryA1 PHE 255 HD2 -0.04 0.02 -0.42 -0.04 7.28 6.80 2dryA1 PHE 255 HE2 -0.07 0.10 -0.26 -0.04 7.38 7.11 2dryA1 PHE 255 HZ -0.06 -0.06 -0.29 -0.04 7.32 6.86 2dryA1 ILE 256 H 0.17 0.59 0.27 -0.55 8.25 8.73 2dryA1 ILE 256 HA 0.05 0.16 0.95 -0.75 4.18 4.58 2dryA1 ILE 256 HB 0.06 -0.02 0.03 -0.04 1.89 1.92 2dryA1 ILE 256 HG12 0.02 0.03 -0.06 -0.04 1.49 1.44 2dryA1 ILE 256 HG13 0.02 -0.05 -0.43 -0.04 1.21 0.70 2dryA1 ILE 256 HG23 0.04 0.00 -0.19 -0.04 0.93 0.73 2dryA1 ILE 256 HD13 0.01 -0.00 -0.09 -0.04 0.88 0.75 2dryA1 ILE 257 H 0.01 0.17 0.13 -0.55 8.25 8.01 2dryA1 ILE 257 HA 0.08 0.27 0.77 -0.75 4.18 4.55 2dryA1 ILE 257 HB -0.12 -0.03 0.11 -0.04 1.89 1.81 2dryA1 ILE 257 HG12 -0.08 0.01 -0.06 -0.04 1.49 1.32 2dryA1 ILE 257 HG13 -0.30 0.00 -0.06 -0.04 1.21 0.81 2dryA1 ILE 257 HG23 -0.45 -0.00 -0.19 -0.04 0.93 0.25 2dryA1 ILE 257 HD13 -0.16 0.01 -0.18 -0.04 0.88 0.51 2dryA1 GLU 258 H 0.27 0.57 0.28 -0.55 8.60 9.18 2dryA1 GLU 258 HA 0.12 0.11 0.94 -0.75 4.29 4.70 2dryA1 GLU 258 HB2 0.11 0.02 -0.19 -0.04 2.09 1.99 2dryA1 GLU 258 HB3 0.23 -0.06 0.13 -0.04 1.99 2.25 2dryA1 GLU 258 HG2 0.12 0.18 -0.09 -0.04 2.34 2.51 2dryA1 GLU 258 HG3 0.07 -0.02 0.03 -0.04 2.34 2.37 2dryA1 SER 259 H 0.14 0.12 0.13 -0.55 8.46 8.30 2dryA1 SER 259 HA 0.27 0.15 0.49 -0.75 4.49 4.64 2dryA1 SER 259 HB2 0.12 -0.02 0.06 -0.04 3.95 4.07 2dryA1 SER 259 HB3 0.14 0.03 0.12 -0.04 3.93 4.17 2dryA1 GLU 260 H 0.22 0.38 0.19 -0.55 8.60 8.84 2dryA1 GLU 260 HA 0.35 0.13 0.21 -0.75 4.29 4.22 2dryA1 GLU 260 HB2 0.16 0.02 -0.08 -0.04 2.09 2.15 2dryA1 GLU 260 HB3 0.16 -0.01 0.09 -0.04 1.99 2.19 2dryA1 GLU 260 HG2 0.12 -0.02 0.01 -0.04 2.34 2.40 2dryA1 GLU 260 HG3 -0.03 0.03 -0.06 -0.04 2.34 2.24