#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du3 s SER 22 N 0.00 0.46 -0.50 6.43 0.01 -1.26 -3.55 113.70 115.29 1du3 s SER 22 Ca 0.00 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 1du3 s SER 22 Cb 0.00 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.40 1du3 s SER 22 CO 0.00 -0.20 1.46 -2.84 0.41 0.00 0.00 173.24 172.07 1du3 s PRO 23 N 1.81 3.36 -0.91 12.44 0.02 -1.26 -4.85 135.00 145.61 1du3 s PRO 23 Ca -0.02 0.68 -0.25 0.00 0.02 0.00 0.00 61.00 61.44 1du3 s PRO 23 Cb -0.12 -4.11 -0.05 0.00 0.02 0.00 0.00 34.50 30.24 1du3 s PRO 23 CO -0.05 -1.85 1.96 0.45 -0.33 0.00 0.00 177.00 177.18 1du3 s SER 24 N 4.56 5.09 -0.52 2.53 0.15 -1.01 -3.31 113.70 121.18 1du3 s SER 24 Ca 0.58 -0.69 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 1du3 s SER 24 Cb -0.12 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1du3 s SER 24 CO 0.28 -2.80 0.47 -0.62 1.20 0.00 0.00 173.24 171.76 1du3 n GLU 25 N 8.83 -1.06 0.00 5.44 1.02 -1.26 -3.72 120.64 129.89 1du3 n GLU 25 Ca 0.41 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 1du3 n GLU 25 Cb 0.47 -3.92 0.00 0.00 -0.02 0.00 0.00 31.44 27.97 1du3 n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1du3 n GLY 26 N -1.38 0.54 3.90 0.62 0.00 -1.21 -4.91 105.19 102.76 1du3 n GLY 26 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1du3 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1du3 s LEU 27 N 0.00 2.54 0.10 0.99 1.43 -1.24 -4.77 118.68 117.72 1du3 s LEU 27 Ca 0.00 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1du3 s LEU 27 Cb 0.00 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 1du3 s LEU 27 CO 0.00 -1.87 -0.13 0.00 0.23 0.00 0.00 176.35 174.58 1du3 s PRO 29 N -2.43 1.58 -0.06 0.00 0.04 -1.26 -2.46 135.00 130.41 1du3 s PRO 29 Ca 0.05 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1du3 s PRO 29 Cb -0.06 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1du3 s PRO 29 CO 0.02 -2.19 2.05 -2.30 0.04 0.00 0.00 177.00 174.62 1du3 n PRO 30 N -3.82 2.51 0.00 0.56 -0.02 -1.26 -2.34 135.00 130.64 1du3 n PRO 30 Ca 0.11 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1du3 n PRO 30 Cb 0.52 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 1du3 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1du3 n GLY 31 N 4.95 1.36 2.53 -1.23 0.00 -0.53 -4.84 105.19 107.43 1du3 n GLY 31 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1du3 n GLY 31 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1du3 n HIS 32 N -0.35 -0.65 -3.64 1.61 8.25 -0.99 -0.80 115.22 118.66 1du3 n HIS 32 Ca 0.00 -2.19 -0.15 0.00 -0.26 0.00 0.00 57.72 55.12 1du3 n HIS 32 Cb 0.00 0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1du3 n HIS 32 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1du3 s HIS 33 N -3.08 -0.38 1.11 4.41 -3.43 0.16 -4.76 115.29 109.33 1du3 s HIS 33 Ca 0.31 0.56 -0.14 0.00 -0.80 0.00 0.00 55.06 54.99 1du3 s HIS 33 Cb 0.01 0.25 0.25 0.00 -1.43 0.00 0.00 32.58 31.66 1du3 s HIS 33 CO 0.22 -0.53 1.07 -1.50 -2.00 0.00 0.00 174.74 172.00 1du3 s ILE 34 N -1.63 1.89 0.25 -5.38 1.10 -0.60 -2.16 121.20 114.67 1du3 s ILE 34 Ca -0.10 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.12 1du3 s ILE 34 Cb -0.02 -2.36 -0.04 0.00 0.15 0.00 0.00 42.46 40.19 1du3 s ILE 34 CO 0.04 0.00 0.09 -0.44 -2.11 0.00 0.00 174.94 172.53 1du3 s SER 35 N -3.28 5.05 0.14 4.50 0.01 -1.18 -4.58 113.70 114.36 1du3 s SER 35 Ca 0.67 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 1du3 s SER 35 Cb -0.19 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.89 1du3 s SER 35 CO 0.59 -0.01 1.62 -0.08 0.41 0.00 0.00 173.24 175.78 1du3 h GLU 36 N 1.80 -0.36 0.00 12.44 4.57 -1.93 0.17 114.58 131.27 1du3 h GLU 36 Ca -0.47 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1du3 h GLU 36 Cb 1.24 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1du3 h GLU 36 CO 0.60 -0.24 -0.07 0.38 -1.18 0.00 0.00 179.01 178.50 1du3 h ASP 37 N -0.37 0.00 -2.93 1.04 2.03 -1.99 -3.47 116.42 110.72 1du3 h ASP 37 Ca 0.10 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.34 1du3 h ASP 37 Cb 0.52 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.05 1du3 h ASP 37 CO -0.33 0.07 -0.15 0.61 -1.03 0.00 0.00 179.24 178.42 1du3 n GLY 38 N -0.76 0.38 1.14 7.15 0.00 0.59 -5.01 105.19 108.68 1du3 n GLY 38 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1du3 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1du3 n ARG 39 N -1.65 0.00 -4.27 1.61 1.74 -1.26 -4.91 116.66 107.91 1du3 n ARG 39 Ca -0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 1du3 n ARG 39 Cb 0.53 -0.38 -0.07 0.00 -1.02 0.00 0.00 32.46 31.52 1du3 n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1du3 s ASP 40 N -4.68 4.65 -0.69 0.55 1.01 -1.26 -4.10 116.67 112.14 1du3 s ASP 40 Ca 0.00 -0.60 -0.04 0.00 0.71 0.00 0.00 52.55 52.62 1du3 s ASP 40 Cb 0.00 -0.91 0.18 0.00 1.01 0.00 0.00 42.92 43.20 1du3 s ASP 40 CO 0.00 0.00 0.53 0.00 0.21 0.00 0.00 175.17 175.91 1du3 s ILE 42 N -0.24 3.07 0.40 0.00 1.09 -0.92 -4.34 121.20 120.27 1du3 s ILE 42 Ca 0.19 1.01 -0.01 0.00 -1.10 0.00 0.00 60.65 60.73 1du3 s ILE 42 Cb -0.17 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1du3 s ILE 42 CO -0.05 0.19 0.64 -0.94 -0.10 0.00 0.00 174.94 174.68 1du3 s SER 43 N -0.83 6.19 -0.32 3.58 1.04 -1.26 0.40 113.70 122.49 1du3 s SER 43 Ca 0.51 0.55 -0.19 0.00 0.48 0.00 0.00 55.95 57.30 1du3 s SER 43 Cb -0.34 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 1du3 s SER 43 CO 0.45 -0.46 0.56 0.00 0.98 0.00 0.00 173.24 174.77 1du3 n LYS 45 N 5.79 0.11 -2.34 0.00 5.02 -1.26 -4.68 118.16 120.80 1du3 n LYS 45 Ca -0.03 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 1du3 n LYS 45 Cb 0.49 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 1du3 n LYS 45 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1du3 s TYR 46 N -1.95 3.14 -1.06 2.13 2.02 -1.26 -3.01 117.35 117.37 1du3 s TYR 46 Ca 0.57 1.57 -0.03 0.00 -0.37 0.00 0.00 57.07 58.81 1du3 s TYR 46 Cb -0.42 -3.36 0.03 0.00 -0.40 0.00 0.00 41.96 37.81 1du3 s TYR 46 CO 0.66 -1.18 0.18 0.41 -1.57 0.00 0.00 175.55 174.05 1du3 n GLY 47 N 0.65 -0.50 0.00 0.71 0.00 -1.08 -4.67 105.19 100.30 1du3 n GLY 47 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1du3 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du3 n GLN 48 N -3.13 1.91 -0.96 1.61 0.00 -1.22 -4.89 117.38 110.70 1du3 n GLN 48 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.91 1du3 n GLN 48 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 30.24 30.43 1du3 n GLN 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1du3 n ASP 49 N -0.29 0.00 0.00 2.61 5.68 -1.16 -2.98 116.55 120.41 1du3 n ASP 49 Ca 0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1du3 n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1du3 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1du3 n TYR 50 N 0.00 0.00 -3.20 2.11 4.11 -1.04 -4.40 117.16 114.73 1du3 n TYR 50 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1du3 n TYR 50 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 1du3 n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1du3 s SER 51 N -0.92 -1.29 -0.23 9.48 1.04 -1.15 -1.20 113.70 119.44 1du3 s SER 51 Ca 0.00 0.90 0.06 0.00 0.48 0.00 0.00 55.95 57.39 1du3 s SER 51 Cb 0.00 2.12 0.49 0.00 0.10 0.00 0.00 66.02 68.73 1du3 s SER 51 CO 0.00 -0.24 1.47 0.35 0.98 0.00 0.00 173.24 175.80 1du3 n THR 52 N 5.43 2.16 -3.56 2.02 -2.24 -1.26 -1.46 114.28 115.37 1du3 n THR 52 Ca -0.03 -1.10 -0.11 0.00 -2.27 0.00 0.00 64.05 60.54 1du3 n THR 52 Cb 0.51 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1du3 n THR 52 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1du3 s HIS 53 N -2.18 -0.38 -0.09 4.78 3.76 -1.26 -4.99 115.29 114.92 1du3 s HIS 53 Ca 0.37 0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 55.09 1du3 s HIS 53 Cb 0.30 0.51 -0.04 0.00 1.11 0.00 0.00 32.58 34.46 1du3 s HIS 53 CO 0.09 -0.89 1.53 -1.58 -0.85 0.00 0.00 174.74 173.03 1du3 s TRP 54 N -3.80 2.26 0.00 1.40 0.52 -1.26 -4.01 118.94 114.05 1du3 s TRP 54 Ca 0.04 0.46 0.00 0.00 0.02 0.00 0.00 56.10 56.62 1du3 s TRP 54 Cb -0.01 -3.78 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 1du3 s TRP 54 CO -0.09 -3.14 0.00 0.27 0.02 0.00 0.00 176.95 174.02 1du3 n ASN 55 N 6.99 1.58 -1.38 2.95 0.23 -1.03 -4.84 115.26 119.76 1du3 n ASN 55 Ca 0.16 -0.53 -0.05 0.00 -0.53 0.00 0.00 54.58 53.63 1du3 n ASN 55 Cb 0.43 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.13 1du3 n ASN 55 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1du3 n ASP 56 N -0.75 -0.94 -4.74 0.53 5.75 -1.26 -1.24 116.55 113.89 1du3 n ASP 56 Ca 0.00 -1.75 -0.41 0.00 -0.01 0.00 0.00 54.79 52.62 1du3 n ASP 56 Cb 0.00 0.34 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 1du3 n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1du3 s LEU 57 N -1.03 4.52 0.00 -2.12 1.43 -1.26 -4.61 118.68 115.61 1du3 s LEU 57 Ca 0.02 2.09 0.29 0.00 -1.03 0.00 0.00 54.13 55.50 1du3 s LEU 57 Cb 0.11 -3.61 1.64 0.00 0.03 0.00 0.00 46.19 44.36 1du3 s LEU 57 CO -0.03 -0.15 2.04 0.18 0.23 0.00 0.00 176.35 178.61 1du3 n LEU 58 N 2.07 0.00 -3.80 1.79 4.32 -1.26 -1.56 117.00 118.56 1du3 n LEU 58 Ca 0.01 0.08 -0.11 0.00 -0.02 0.00 0.00 56.01 55.98 1du3 n LEU 58 Cb 0.46 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 42.10 1du3 n LEU 58 CO 0.53 -0.01 -0.04 -0.36 -1.22 0.00 0.00 177.39 176.30 1du3 s PHE 59 N -2.16 -0.03 -0.15 -1.77 0.08 -1.26 -4.86 117.98 107.82 1du3 s PHE 59 Ca 0.39 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.14 1du3 s PHE 59 Cb 0.20 0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.63 1du3 s PHE 59 CO 0.36 -0.46 0.36 0.00 -0.10 0.00 0.00 175.22 175.39 1du3 n LEU 61 N 3.74 2.60 -4.37 0.00 4.77 -0.34 -4.18 117.00 119.22 1du3 n LEU 61 Ca -0.10 0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 56.11 1du3 n LEU 61 Cb 0.52 -1.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.35 1du3 n LEU 61 CO 0.41 -0.53 -0.22 -1.14 -1.33 0.00 0.00 177.39 174.58 1du3 n ARG 62 N 7.56 0.22 -3.22 3.23 0.63 -1.26 -2.51 116.66 121.31 1du3 n ARG 62 Ca 0.34 0.10 -0.38 0.00 -0.92 0.00 0.00 57.85 56.99 1du3 n ARG 62 Cb 0.26 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 1du3 n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1du3 s THR 64 N -1.19 3.46 -0.02 0.00 2.01 -1.26 -4.97 115.64 113.67 1du3 s THR 64 Ca 0.32 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.80 1du3 s THR 64 Cb -0.19 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1du3 s THR 64 CO 0.20 -0.62 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.37 1du3 s ARG 65 N -5.04 0.24 0.55 4.92 0.52 -1.26 -4.66 118.95 114.22 1du3 s ARG 65 Ca 0.60 0.02 -0.15 0.00 -0.52 0.00 0.00 55.73 55.67 1du3 s ARG 65 Cb -0.15 -0.35 -0.06 0.00 0.52 0.00 0.00 34.95 34.91 1du3 s ARG 65 CO 0.55 -0.06 1.01 0.00 0.02 0.00 0.00 175.30 176.82 1du3 s ASP 67 N -3.25 3.09 0.22 0.00 -4.77 -1.26 -5.01 116.67 105.69 1du3 s ASP 67 Ca 0.59 -0.95 -0.22 0.00 -3.30 0.00 0.00 52.55 48.67 1du3 s ASP 67 Cb -0.11 -0.22 -0.14 0.00 -1.09 0.00 0.00 42.92 41.36 1du3 s ASP 67 CO 0.37 -0.01 0.32 -1.54 0.70 0.00 0.00 175.17 175.01 1du3 n SER 68 N -0.15 -1.45 0.00 2.11 3.41 -1.26 -0.01 113.62 116.27 1du3 n SER 68 Ca -0.09 0.86 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1du3 n SER 68 Cb 0.58 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1du3 n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1du3 n GLY 69 N 1.75 1.15 3.08 5.00 0.00 -1.26 -5.00 105.19 109.90 1du3 n GLY 69 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1du3 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1du3 s GLU 70 N -0.45 1.19 -0.14 1.61 2.12 0.99 0.60 118.70 124.62 1du3 s GLU 70 Ca 0.00 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1du3 s GLU 70 Cb 0.00 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.28 1du3 s GLU 70 CO 0.00 0.24 -0.19 0.14 -0.54 0.00 0.00 175.26 174.91 1du3 s VAL 71 N -0.12 2.40 0.03 3.70 -7.23 0.14 -4.53 120.40 114.78 1du3 s VAL 71 Ca 0.01 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 1du3 s VAL 71 Cb -0.07 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.78 1du3 s VAL 71 CO 0.00 0.53 1.91 1.21 -0.31 0.00 0.00 175.10 178.45 1du3 n GLU 72 N 3.92 2.66 0.00 4.82 2.13 -1.26 -2.69 120.64 130.21 1du3 n GLU 72 Ca -0.19 0.97 0.08 0.00 0.66 0.00 0.00 57.16 58.68 1du3 n GLU 72 Cb 0.52 -2.88 -0.09 0.00 0.27 0.00 0.00 31.44 29.25 1du3 n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1du3 n LEU 73 N 6.78 0.88 -3.43 4.31 7.94 -0.27 -4.96 117.00 128.25 1du3 n LEU 73 Ca 0.20 -0.52 0.01 0.00 -1.11 0.00 0.00 56.01 54.60 1du3 n LEU 73 Cb 0.37 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.27 1du3 n LEU 73 CO 0.69 0.21 0.71 -0.55 -1.11 0.00 0.00 177.39 177.35 1du3 s SER 74 N -2.62 -0.42 0.61 1.96 0.15 -1.12 -4.91 113.70 107.35 1du3 s SER 74 Ca 0.07 0.60 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 1du3 s SER 74 Cb 0.13 1.41 -0.12 0.00 -1.71 0.00 0.00 66.02 65.73 1du3 s SER 74 CO 0.70 -0.09 -0.02 -0.81 1.20 0.00 0.00 173.24 174.23 1du3 n PRO 75 N 4.49 0.13 -2.85 5.44 -0.04 -1.26 -1.02 135.00 139.89 1du3 n PRO 75 Ca -0.11 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 1du3 n PRO 75 Cb 0.54 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1du3 n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1du3 s THR 77 N 3.84 4.11 -2.00 0.00 -4.23 0.39 -2.65 115.64 115.10 1du3 s THR 77 Ca 0.26 0.95 0.03 0.00 -1.18 0.00 0.00 61.69 61.75 1du3 s THR 77 Cb -0.13 -3.52 0.09 0.00 1.34 0.00 0.00 72.50 70.28 1du3 s THR 77 CO 0.05 -0.64 0.57 1.07 -0.54 0.00 0.00 174.62 175.13 1du3 n THR 78 N -2.06 0.00 -2.71 3.99 5.66 -1.26 -1.66 114.28 116.24 1du3 n THR 78 Ca 0.08 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1du3 n THR 78 Cb 0.53 -0.77 0.10 0.00 -1.55 0.00 0.00 70.33 68.65 1du3 n THR 78 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1du3 n THR 79 N -0.84 0.39 0.00 1.09 -2.24 -1.26 -2.94 114.28 108.48 1du3 n THR 79 Ca 0.02 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1du3 n THR 79 Cb 0.01 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1du3 n THR 79 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1du3 n ARG 80 N -1.01 0.00 -0.54 -0.78 0.63 -0.66 -4.51 116.66 109.79 1du3 n ARG 80 Ca -0.07 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.57 1du3 n ARG 80 Cb 0.85 0.00 0.24 0.00 0.45 0.00 0.00 32.46 34.00 1du3 n ARG 80 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1du3 s ASN 81 N 0.00 1.33 0.40 6.15 2.47 -1.26 0.15 114.94 124.18 1du3 s ASN 81 Ca 0.00 1.72 -0.23 0.00 0.42 0.00 0.00 52.86 54.77 1du3 s ASN 81 Cb 0.00 -2.40 -0.10 0.00 -1.45 0.00 0.00 41.25 37.30 1du3 s ASN 81 CO 0.00 -4.02 0.97 0.42 -3.72 0.00 0.00 177.10 170.76 1du3 s THR 82 N -2.48 4.18 -0.16 -5.21 -4.23 -1.26 -4.43 115.64 102.07 1du3 s THR 82 Ca 0.68 1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 62.68 1du3 s THR 82 Cb -0.25 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 1du3 s THR 82 CO 0.63 -0.14 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.81 1du3 s VAL 83 N -1.94 3.52 0.10 2.29 1.01 -0.19 -4.79 120.40 120.41 1du3 s VAL 83 Ca 0.59 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1du3 s VAL 83 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1du3 s VAL 83 CO 0.19 0.49 -0.11 0.00 0.00 0.00 0.00 175.10 175.66 1du3 s GLN 85 N -2.12 0.35 0.58 0.00 0.74 -1.10 -4.90 119.66 113.21 1du3 s GLN 85 Ca 0.20 -0.45 -0.19 0.00 0.05 0.00 0.00 55.36 54.97 1du3 s GLN 85 Cb -0.11 0.13 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 1du3 s GLN 85 CO 0.12 -0.07 0.86 0.00 -0.55 0.00 0.00 175.29 175.66 1du3 n GLU 87 N -0.70 -3.40 -2.86 0.00 4.07 0.20 -4.47 120.64 113.48 1du3 n GLU 87 Ca 0.13 -0.88 -0.41 0.00 -0.06 0.00 0.00 57.16 55.93 1du3 n GLU 87 Cb 0.47 -1.07 -0.04 0.00 -0.06 0.00 0.00 31.44 30.73 1du3 n GLU 87 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1du3 s GLU 88 N -4.26 4.45 0.00 5.31 8.01 -1.26 -3.51 118.70 127.44 1du3 s GLU 88 Ca 0.40 1.15 0.00 0.00 0.01 0.00 0.00 54.97 56.52 1du3 s GLU 88 Cb -0.06 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.27 1du3 s GLU 88 CO 0.32 -0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.90 1du3 n GLY 89 N 3.11 1.85 3.15 -1.39 0.00 -1.26 -5.09 105.19 105.56 1du3 n GLY 89 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1du3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1du3 s THR 90 N -2.11 0.96 0.22 2.61 -4.23 -1.23 -4.67 115.64 107.19 1du3 s THR 90 Ca 0.00 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1du3 s THR 90 Cb 0.00 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1du3 s THR 90 CO 0.00 -0.35 -0.03 0.72 -0.54 0.00 0.00 174.62 174.42 1du3 s PHE 91 N -1.63 1.56 0.00 3.99 -0.71 -0.13 -4.50 117.98 116.55 1du3 s PHE 91 Ca -0.01 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 1du3 s PHE 91 Cb -0.08 -0.88 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 1du3 s PHE 91 CO 0.01 0.04 0.00 -2.13 -1.34 0.00 0.00 175.22 171.80 1du3 n ARG 92 N -0.40 3.26 0.00 1.99 0.63 -1.20 -1.28 116.66 119.66 1du3 n ARG 92 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1du3 n ARG 92 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 1du3 n ARG 92 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1du3 n GLU 93 N -0.05 0.00 0.27 -0.14 0.00 -1.25 -4.19 120.64 115.28 1du3 n GLU 93 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.31 1du3 n GLU 93 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 31.44 32.14 1du3 n GLU 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1du3 h GLU 94 N 0.00 0.00 -0.07 5.31 4.11 -2.02 -2.73 114.58 119.18 1du3 h GLU 94 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1du3 h GLU 94 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1du3 h GLU 94 CO 0.00 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 178.92 1du3 n ASP 95 N -3.30 2.71 -3.08 3.06 8.00 -1.26 -4.60 116.55 118.08 1du3 n ASP 95 Ca -0.01 -1.83 -0.16 0.00 0.71 0.00 0.00 54.79 53.50 1du3 n ASP 95 Cb 0.30 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1du3 n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1du3 n SER 96 N 1.12 -0.01 -0.78 -2.24 3.41 -1.04 -4.93 113.62 109.16 1du3 n SER 96 Ca 0.12 -3.14 0.05 0.00 -0.26 0.00 0.00 58.87 55.64 1du3 n SER 96 Cb 0.50 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.59 1du3 n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1du3 n PRO 97 N 0.44 2.08 -0.07 4.33 -0.04 -1.18 -3.77 135.00 136.80 1du3 n PRO 97 Ca 0.20 -1.29 -0.04 0.00 -0.04 0.00 0.00 63.50 62.33 1du3 n PRO 97 Cb 0.66 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.54 1du3 n PRO 97 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1du3 n GLU 98 N 0.44 0.97 -3.79 0.54 4.07 -1.26 -5.01 120.64 116.61 1du3 n GLU 98 Ca 0.12 -0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 57.04 1du3 n GLU 98 Cb 0.40 -1.45 -0.09 0.00 -0.06 0.00 0.00 31.44 30.24 1du3 n GLU 98 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1du3 s MET 99 N -2.65 0.63 -0.67 5.31 -1.94 -1.26 -5.11 119.30 113.62 1du3 s MET 99 Ca -0.08 -0.26 -0.25 0.00 -1.71 0.00 0.00 55.69 53.39 1du3 s MET 99 Cb 0.07 0.28 0.05 0.00 2.01 0.00 0.00 34.83 37.23 1du3 s MET 99 CO 0.74 -0.17 1.12 0.00 -0.01 0.00 0.00 175.02 176.70 1du3 s ARG 101 N 4.83 4.50 0.28 0.00 0.52 -0.40 -4.68 118.95 124.00 1du3 s ARG 101 Ca 0.31 1.76 -0.30 0.00 -0.52 0.00 0.00 55.73 56.98 1du3 s ARG 101 Cb -0.12 -3.31 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 1du3 s ARG 101 CO 0.15 -0.11 1.35 1.63 0.02 0.00 0.00 175.30 178.33 1du3 n LYS 102 N 3.16 2.04 -1.37 3.54 5.02 -1.26 -0.96 118.16 128.33 1du3 n LYS 102 Ca 0.06 0.72 -0.40 0.00 -2.02 0.00 0.00 58.31 56.67 1du3 n LYS 102 Cb 0.46 -2.34 0.02 0.00 -0.02 0.00 0.00 35.03 33.15 1du3 n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1du3 n ASP 116 N 1.62 -2.13 -4.77 4.39 -0.08 -1.26 -4.57 116.55 109.74 1du3 n ASP 116 Ca 0.09 0.76 -0.38 0.00 -1.51 0.00 0.00 54.79 53.75 1du3 n ASP 116 Cb 0.33 -1.01 -0.03 0.00 2.34 0.00 0.00 41.12 42.75 1du3 n ASP 116 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1du3 s THR 118 N -1.46 0.18 -2.00 0.00 -4.23 -0.94 -4.96 115.64 102.23 1du3 s THR 118 Ca 0.55 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1du3 s THR 118 Cb -0.28 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1du3 s THR 118 CO 0.35 -0.81 0.20 -2.65 -0.54 0.00 0.00 174.62 171.16 1du3 n PRO 119 N 0.02 0.02 -0.46 3.99 -0.02 -1.26 -1.52 135.00 135.77 1du3 n PRO 119 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1du3 n PRO 119 Cb 0.62 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1du3 n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1du3 n TRP 120 N -0.68 0.00 -3.52 6.00 8.01 -1.26 -3.28 117.44 122.72 1du3 n TRP 120 Ca 0.00 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.05 1du3 n TRP 120 Cb 0.00 0.06 -0.05 0.00 -2.01 0.00 0.00 31.31 29.31 1du3 n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1du3 s SER 121 N -0.59 -0.54 0.74 -0.99 1.04 -0.58 -4.72 113.70 108.07 1du3 s SER 121 Ca 0.00 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.77 1du3 s SER 121 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1du3 s SER 121 CO 0.00 -0.60 1.10 -0.62 0.98 0.00 0.00 173.24 174.10 1du3 s ASP 122 N -1.55 4.91 0.00 7.02 -1.08 -1.26 -2.20 116.67 122.50 1du3 s ASP 122 Ca -0.05 0.80 0.03 0.00 -0.52 0.00 0.00 52.55 52.81 1du3 s ASP 122 Cb -0.00 -1.45 0.20 0.00 -1.46 0.00 0.00 42.92 40.21 1du3 s ASP 122 CO 0.02 -1.62 0.68 2.30 0.52 0.00 0.00 175.17 177.07