#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 3.23 -0.20 6.43 0.01 -1.26 -4.20 113.70 117.71 1du3 s SER 22 Ca 0.00 1.36 -0.04 0.00 1.31 0.00 0.00 55.95 58.58 1du3 s SER 22 Cb 0.00 -2.03 -0.06 0.00 0.21 0.00 0.00 66.02 64.14 1du3 s SER 22 CO 0.00 -2.77 0.48 -2.65 0.41 0.00 0.00 173.24 168.70 1du3 n PRO 23 N -3.96 0.00 -2.30 12.44 -0.02 -1.25 -4.76 135.00 135.16 1du3 n PRO 23 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 1du3 n PRO 23 Cb 0.56 -0.24 0.01 0.00 -0.02 0.00 0.00 33.50 33.81 1du3 n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1du3 n SER 24 N 1.52 7.63 0.00 2.55 2.88 0.84 -4.33 113.62 124.70 1du3 n SER 24 Ca 0.13 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1du3 n SER 24 Cb 0.02 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 1du3 n SER 24 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1du3 n GLU 25 N 0.69 0.00 -0.28 -1.46 1.02 -1.26 -4.39 120.64 114.96 1du3 n GLU 25 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1du3 n GLU 25 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 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 0.00 2.05 3.63 0.62 0.00 -1.26 -4.98 105.19 105.25 1du3 n GLY 26 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.00 -0.02 0.99 1.43 -1.26 -4.66 118.68 118.15 1du3 s LEU 27 Ca 0.00 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1du3 s LEU 27 Cb 0.00 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1du3 s LEU 27 CO 0.00 -0.20 -0.24 0.00 0.23 0.00 0.00 176.35 176.14 1du3 n PRO 29 N 2.52 0.76 -1.54 0.00 -0.04 -1.26 -1.89 135.00 133.56 1du3 n PRO 29 Ca -0.16 0.31 -0.51 0.00 -0.04 0.00 0.00 63.50 63.10 1du3 n PRO 29 Cb 0.52 -2.20 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 1du3 n PRO 29 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1du3 n PRO 30 N -1.33 0.76 -0.06 0.54 -0.02 -1.26 -2.22 135.00 131.41 1du3 n PRO 30 Ca 0.14 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1du3 n PRO 30 Cb 0.48 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.93 0.93 3.33 -1.23 0.00 -0.32 -4.94 105.19 104.89 1du3 n GLY 31 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1du3 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1du3 s HIS 32 N -2.01 1.35 -0.06 1.61 3.76 -0.94 -1.70 115.29 117.29 1du3 s HIS 32 Ca 0.00 -1.44 -0.04 0.00 -0.15 0.00 0.00 55.06 53.43 1du3 s HIS 32 Cb 0.00 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.24 1du3 s HIS 32 CO 0.00 -0.87 0.15 -3.38 -0.85 0.00 0.00 174.74 169.78 1du3 s HIS 33 N -3.59 -0.16 0.99 1.40 -3.43 0.31 -4.81 115.29 106.00 1du3 s HIS 33 Ca 0.37 0.43 -0.12 0.00 -0.80 0.00 0.00 55.06 54.93 1du3 s HIS 33 Cb 0.03 0.01 0.14 0.00 -1.43 0.00 0.00 32.58 31.32 1du3 s HIS 33 CO 0.20 -0.11 0.82 1.51 -2.00 0.00 0.00 174.74 175.17 1du3 n ILE 34 N 3.46 0.00 -2.97 -5.38 3.06 -0.20 -2.50 119.36 114.83 1du3 n ILE 34 Ca -0.18 -0.15 -0.19 0.00 -2.50 0.00 0.00 62.75 59.73 1du3 n ILE 34 Cb 0.56 -0.86 0.07 0.00 0.54 0.00 0.00 39.64 39.96 1du3 n ILE 34 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1du3 n SER 35 N -3.35 1.91 0.25 9.51 3.41 -0.97 -4.35 113.62 120.03 1du3 n SER 35 Ca 0.08 -2.41 -0.13 0.00 -0.26 0.00 0.00 58.87 56.15 1du3 n SER 35 Cb 0.54 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1du3 n SER 35 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1du3 h GLU 36 N 0.00 -0.72 -0.66 4.33 4.39 -1.92 -3.10 114.58 116.91 1du3 h GLU 36 Ca -0.27 0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1du3 h GLU 36 Cb 1.19 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 1du3 h GLU 36 CO 0.37 -0.48 0.11 0.38 -1.16 0.00 0.00 179.01 178.23 1du3 h ASP 37 N -0.74 1.04 0.00 1.42 2.03 -1.96 -3.47 116.42 114.73 1du3 h ASP 37 Ca -0.06 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 1du3 h ASP 37 Cb 0.61 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1du3 h ASP 37 CO 0.02 1.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.87 1du3 n GLY 38 N -0.58 0.70 0.87 7.15 0.00 -1.17 -4.97 105.19 107.20 1du3 n GLY 38 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1du3 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1du3 n ARG 39 N -1.42 2.14 -4.02 1.61 0.63 -1.26 -4.67 116.66 109.67 1du3 n ARG 39 Ca 0.00 -1.72 -0.08 0.00 -0.92 0.00 0.00 57.85 55.12 1du3 n ARG 39 Cb 0.00 -1.45 -0.09 0.00 0.45 0.00 0.00 32.46 31.38 1du3 n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1du3 s ASP 40 N -1.45 0.29 -0.34 6.15 1.01 -1.26 -4.73 116.67 116.34 1du3 s ASP 40 Ca 0.35 -0.92 0.01 0.00 0.71 0.00 0.00 52.55 52.70 1du3 s ASP 40 Cb 0.20 0.29 0.11 0.00 1.01 0.00 0.00 42.92 44.53 1du3 s ASP 40 CO 0.28 -0.70 0.12 0.00 0.21 0.00 0.00 175.17 175.08 1du3 s ILE 42 N 1.21 3.65 0.67 0.00 1.09 -1.04 -4.79 121.20 121.99 1du3 s ILE 42 Ca 0.12 1.51 -0.05 0.00 -1.10 0.00 0.00 60.65 61.13 1du3 s ILE 42 Cb -0.19 -3.90 0.06 0.00 -1.06 0.00 0.00 42.46 37.37 1du3 s ILE 42 CO -0.17 0.24 0.96 -0.94 -0.10 0.00 0.00 174.94 174.94 1du3 s SER 43 N -1.18 4.88 -0.05 3.58 1.04 -1.26 -0.53 113.70 120.19 1du3 s SER 43 Ca 0.49 0.32 -0.22 0.00 0.48 0.00 0.00 55.95 57.02 1du3 s SER 43 Cb -0.27 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1du3 s SER 43 CO 0.35 -1.52 0.64 0.00 0.98 0.00 0.00 173.24 173.70 1du3 s LYS 45 N 0.44 4.15 0.20 0.00 2.47 -1.26 -4.88 119.74 120.86 1du3 s LYS 45 Ca 0.34 2.53 -0.30 0.00 -1.56 0.00 0.00 55.97 56.98 1du3 s LYS 45 Cb -0.18 -3.48 -0.09 0.00 -1.46 0.00 0.00 37.83 32.62 1du3 s LYS 45 CO 0.17 -0.79 1.34 -0.47 0.16 0.00 0.00 175.35 175.76 1du3 s TYR 46 N 2.36 3.21 0.00 4.03 6.14 -1.26 -1.71 117.35 130.13 1du3 s TYR 46 Ca 0.78 1.15 0.00 0.00 0.64 0.00 0.00 57.07 59.64 1du3 s TYR 46 Cb -0.45 -3.65 0.00 0.00 0.42 0.00 0.00 41.96 38.28 1du3 s TYR 46 CO 0.35 -2.08 0.00 0.41 0.64 0.00 0.00 175.55 174.86 1du3 n GLY 47 N 2.48 3.16 0.03 8.97 0.00 -1.26 -4.79 105.19 113.78 1du3 n GLY 47 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.42 0.07 -4.66 1.61 0.00 -1.13 -4.83 117.38 107.02 1du3 n GLN 48 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 57.00 56.73 1du3 n GLN 48 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 30.24 29.55 1du3 n GLN 48 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1du3 s ASP 49 N -4.26 3.62 0.25 2.61 1.47 -0.69 -1.15 116.67 118.53 1du3 s ASP 49 Ca -0.04 -1.63 -0.20 0.00 1.18 0.00 0.00 52.55 51.86 1du3 s ASP 49 Cb 0.01 0.44 0.03 0.00 -0.34 0.00 0.00 42.92 43.05 1du3 s ASP 49 CO 0.05 -0.84 0.65 -0.72 0.68 0.00 0.00 175.17 174.99 1du3 s TYR 50 N -2.99 -0.17 -0.22 2.11 1.13 0.43 -4.43 117.35 113.20 1du3 s TYR 50 Ca 0.14 -0.22 -0.16 0.00 -1.41 0.00 0.00 57.07 55.43 1du3 s TYR 50 Cb 0.03 0.59 0.06 0.00 -1.10 0.00 0.00 41.96 41.54 1du3 s TYR 50 CO 0.08 -1.11 0.56 -1.54 -2.51 0.00 0.00 175.55 171.03 1du3 s SER 51 N -2.90 -0.68 -0.17 -0.18 1.04 -1.16 -0.01 113.70 109.65 1du3 s SER 51 Ca 0.10 1.18 0.14 0.00 0.48 0.00 0.00 55.95 57.86 1du3 s SER 51 Cb -0.04 1.12 0.36 0.00 0.10 0.00 0.00 66.02 67.56 1du3 s SER 51 CO 0.03 -0.21 1.19 1.07 0.98 0.00 0.00 173.24 176.30 1du3 n THR 52 N 3.67 1.94 -3.48 2.02 5.66 -1.26 -1.17 114.28 121.66 1du3 n THR 52 Ca -0.18 -2.71 -0.14 0.00 -3.05 0.00 0.00 64.05 57.96 1du3 n THR 52 Cb 0.57 -0.17 -0.04 0.00 -1.55 0.00 0.00 70.33 69.14 1du3 n THR 52 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1du3 s HIS 53 N -2.89 -0.58 0.11 1.09 3.76 -1.26 -4.88 115.29 110.65 1du3 s HIS 53 Ca 0.35 0.69 -0.35 0.00 -0.15 0.00 0.00 55.06 55.60 1du3 s HIS 53 Cb 0.33 0.49 -0.15 0.00 1.11 0.00 0.00 32.58 34.36 1du3 s HIS 53 CO -0.04 -0.71 1.52 0.91 -0.85 0.00 0.00 174.74 175.58 1du3 n TRP 54 N 0.25 2.02 -3.87 1.40 7.02 -1.26 -4.22 117.44 118.79 1du3 n TRP 54 Ca -0.17 0.38 -0.09 0.00 -1.02 0.00 0.00 57.50 56.60 1du3 n TRP 54 Cb 0.61 -2.48 -0.08 0.00 -2.42 0.00 0.00 31.31 26.94 1du3 n TRP 54 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1du3 s ASN 55 N 0.98 0.11 -0.34 -0.99 2.20 -0.79 -4.84 114.94 111.26 1du3 s ASN 55 Ca 0.82 -0.53 0.07 0.00 -0.94 0.00 0.00 52.86 52.28 1du3 s ASN 55 Cb -0.78 0.29 0.53 0.00 -2.00 0.00 0.00 41.25 39.29 1du3 s ASN 55 CO 0.42 -0.61 1.55 -0.90 -2.94 0.00 0.00 177.10 174.61 1du3 n ASP 56 N 0.40 3.02 -4.72 3.54 5.68 -1.26 -2.34 116.55 120.86 1du3 n ASP 56 Ca -0.17 -3.77 -0.42 0.00 -0.50 0.00 0.00 54.79 49.93 1du3 n ASP 56 Cb 0.60 -0.67 -0.03 0.00 -1.14 0.00 0.00 41.12 39.88 1du3 n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1du3 s LEU 57 N -3.31 4.38 0.37 -2.12 1.43 -1.26 -4.66 118.68 113.51 1du3 s LEU 57 Ca 0.48 2.38 0.24 0.00 -1.03 0.00 0.00 54.13 56.19 1du3 s LEU 57 Cb 0.42 -3.59 0.42 0.00 0.03 0.00 0.00 46.19 43.47 1du3 s LEU 57 CO 0.01 -0.65 1.61 -0.07 0.23 0.00 0.00 176.35 177.49 1du3 h LEU 58 N 6.47 0.00 -7.94 1.79 3.38 -1.92 -0.52 115.31 116.58 1du3 h LEU 58 Ca -0.43 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.20 1du3 h LEU 58 Cb 1.21 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.68 1du3 h LEU 58 CO 0.85 0.00 -0.76 -0.36 0.09 0.00 0.00 178.44 178.26 1du3 s PHE 59 N -3.19 0.53 0.82 1.13 0.40 -1.26 -4.86 117.98 111.55 1du3 s PHE 59 Ca 0.07 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 1du3 s PHE 59 Cb 0.07 -0.34 0.08 0.00 0.51 0.00 0.00 43.02 43.34 1du3 s PHE 59 CO 0.66 -0.01 1.11 0.00 0.70 0.00 0.00 175.22 177.68 1du3 s LEU 61 N -5.83 4.40 0.82 0.00 1.43 0.99 -4.77 118.68 115.71 1du3 s LEU 61 Ca 0.61 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1du3 s LEU 61 Cb -0.14 -3.22 0.09 0.00 0.03 0.00 0.00 46.19 42.95 1du3 s LEU 61 CO 0.54 -0.06 1.12 -0.13 0.23 0.00 0.00 176.35 178.05 1du3 s ARG 62 N 0.36 1.75 0.37 1.70 1.81 -1.26 -0.43 118.95 123.25 1du3 s ARG 62 Ca 0.40 1.37 0.01 0.00 -1.72 0.00 0.00 55.73 55.79 1du3 s ARG 62 Cb -0.20 -1.82 -0.02 0.00 -0.45 0.00 0.00 34.95 32.46 1du3 s ARG 62 CO 0.22 -2.05 0.57 0.00 -0.68 0.00 0.00 175.30 173.36 1du3 s THR 64 N -2.36 5.01 -0.48 0.00 2.01 -1.26 -5.00 115.64 113.55 1du3 s THR 64 Ca 0.42 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1du3 s THR 64 Cb -0.10 -3.73 0.15 0.00 0.01 0.00 0.00 72.50 68.84 1du3 s THR 64 CO 0.36 -0.33 0.33 -0.13 -0.69 0.00 0.00 174.62 174.15 1du3 s ARG 65 N -3.57 1.37 0.04 4.92 0.52 -1.26 -4.67 118.95 116.30 1du3 s ARG 65 Ca 0.44 -2.29 -0.20 0.00 -0.52 0.00 0.00 55.73 53.17 1du3 s ARG 65 Cb -0.11 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.07 1du3 s ARG 65 CO 0.30 -1.27 0.49 0.00 0.02 0.00 0.00 175.30 174.84 1du3 n ASP 67 N 0.91 -1.65 -0.58 0.00 8.00 -1.26 -4.88 116.55 117.09 1du3 n ASP 67 Ca 0.11 -0.82 0.01 0.00 0.71 0.00 0.00 54.79 54.79 1du3 n ASP 67 Cb 0.07 -0.52 0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1du3 n ASP 67 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1du3 n SER 68 N -3.99 1.35 0.00 -2.24 3.41 -1.26 -2.49 113.62 108.41 1du3 n SER 68 Ca 0.08 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1du3 n SER 68 Cb 0.30 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.15 0.72 3.46 5.00 0.00 -1.26 -5.06 105.19 108.21 1du3 n GLY 69 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1du3 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du3 s GLU 70 N -0.61 1.63 0.07 1.61 2.02 -1.04 -1.82 118.70 120.57 1du3 s GLU 70 Ca 0.00 -1.83 0.06 0.00 0.02 0.00 0.00 54.97 53.22 1du3 s GLU 70 Cb 0.00 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.86 1du3 s GLU 70 CO 0.00 0.08 -0.16 0.14 0.02 0.00 0.00 175.26 175.34 1du3 s VAL 71 N -2.87 1.26 -0.32 2.63 -7.23 -0.21 -4.82 120.40 108.83 1du3 s VAL 71 Ca 0.30 -1.28 -0.25 0.00 -1.81 0.00 0.00 61.98 58.94 1du3 s VAL 71 Cb 0.03 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.81 1du3 s VAL 71 CO 0.13 -0.12 0.88 -0.70 -0.31 0.00 0.00 175.10 174.99 1du3 s GLU 72 N -1.61 3.97 -0.00 4.82 2.12 -1.26 -1.45 118.70 125.29 1du3 s GLU 72 Ca 0.01 0.71 -0.13 0.00 0.36 0.00 0.00 54.97 55.92 1du3 s GLU 72 Cb -0.09 -3.74 -0.33 0.00 0.26 0.00 0.00 34.13 30.22 1du3 s GLU 72 CO 0.02 -0.78 0.86 -0.07 -0.54 0.00 0.00 175.26 174.76 1du3 h LEU 73 N 9.70 0.71 -7.36 2.70 4.07 -0.43 -3.46 115.31 121.24 1du3 h LEU 73 Ca -0.23 -0.88 -0.25 0.00 0.08 0.00 0.00 57.88 56.60 1du3 h LEU 73 Cb 1.08 -0.23 -0.32 0.00 1.08 0.00 0.00 40.66 42.27 1du3 h LEU 73 CO 0.94 1.72 -0.59 -0.44 -1.08 0.00 0.00 178.44 178.99 1du3 s SER 74 N -7.42 0.11 1.23 -0.43 0.01 -1.15 -4.97 113.70 101.07 1du3 s SER 74 Ca -0.12 0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 1du3 s SER 74 Cb 0.05 0.27 0.29 0.00 0.21 0.00 0.00 66.02 66.85 1du3 s SER 74 CO 0.90 -0.18 1.07 -2.16 0.41 0.00 0.00 173.24 173.28 1du3 s PRO 75 N 1.54 -1.41 -0.19 12.44 0.04 -1.26 0.53 135.00 146.69 1du3 s PRO 75 Ca -0.06 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.91 1du3 s PRO 75 Cb -0.12 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1du3 s PRO 75 CO -0.06 -3.87 0.37 0.00 0.04 0.00 0.00 177.00 173.47 1du3 n THR 77 N 4.12 0.00 1.16 0.00 -2.24 -0.82 -4.10 114.28 112.40 1du3 n THR 77 Ca -0.09 -2.22 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 1du3 n THR 77 Cb 0.51 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1du3 n THR 77 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1du3 n THR 78 N -1.75 0.00 -1.61 4.28 -2.24 -1.26 -3.41 114.28 108.28 1du3 n THR 78 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1du3 n THR 78 Cb 0.63 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1du3 n THR 78 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1du3 n THR 79 N -0.15 0.00 -3.69 4.28 -2.24 -1.26 -2.97 114.28 108.26 1du3 n THR 79 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1du3 n THR 79 Cb 0.13 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1du3 n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1du3 s ARG 80 N 0.00 0.35 0.96 -0.78 3.52 -1.22 -4.23 118.95 117.55 1du3 s ARG 80 Ca 0.00 0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 56.32 1du3 s ARG 80 Cb 0.00 0.06 0.17 0.00 -1.56 0.00 0.00 34.95 33.61 1du3 s ARG 80 CO 0.00 -0.19 1.08 -1.71 -0.81 0.00 0.00 175.30 173.67 1du3 n ASN 81 N 4.61 -0.12 -4.32 -2.12 4.05 -1.26 -1.94 115.26 114.15 1du3 n ASN 81 Ca -0.19 0.32 -0.29 0.00 0.45 0.00 0.00 54.58 54.87 1du3 n ASN 81 Cb 0.53 -1.43 0.22 0.00 1.23 0.00 0.00 39.78 40.34 1du3 n ASN 81 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1du3 s THR 82 N -2.59 1.83 -0.13 -0.44 -1.32 -1.26 -4.57 115.64 107.17 1du3 s THR 82 Ca 0.67 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.12 1du3 s THR 82 Cb -0.23 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1du3 s THR 82 CO 0.60 0.00 0.03 -0.69 -2.21 0.00 0.00 174.62 172.35 1du3 s VAL 83 N -2.81 0.32 0.18 5.08 1.01 0.19 -4.86 120.40 119.50 1du3 s VAL 83 Ca 0.68 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1du3 s VAL 83 Cb -0.17 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1du3 s VAL 83 CO 0.59 0.01 0.27 0.00 0.00 0.00 0.00 175.10 175.97 1du3 s GLN 85 N -3.41 0.53 0.39 0.00 0.74 -0.53 -4.84 119.66 112.54 1du3 s GLN 85 Ca 0.34 0.64 -0.25 0.00 0.05 0.00 0.00 55.36 56.13 1du3 s GLN 85 Cb -0.10 0.25 -0.11 0.00 1.10 0.00 0.00 33.01 34.14 1du3 s GLN 85 CO 0.27 -0.07 1.00 0.00 -0.55 0.00 0.00 175.29 175.95 1du3 s GLU 87 N -1.90 -0.22 -0.07 0.00 2.02 -0.75 -4.72 118.70 113.05 1du3 s GLU 87 Ca 0.62 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.70 1du3 s GLU 87 Cb -0.59 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 1du3 s GLU 87 CO 0.58 -3.14 1.70 -1.21 0.02 0.00 0.00 175.26 173.20 1du3 s GLU 88 N -5.01 4.10 0.00 1.61 0.41 -1.26 -2.23 118.70 116.32 1du3 s GLU 88 Ca 0.67 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 57.39 1du3 s GLU 88 Cb -0.17 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.16 1du3 s GLU 88 CO 0.58 -0.95 0.00 0.41 -0.49 0.00 0.00 175.26 174.81 1du3 n GLY 89 N 4.28 1.85 3.02 -1.39 0.00 -1.26 -5.10 105.19 106.59 1du3 n GLY 89 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.02 0.52 0.40 2.61 -4.23 -0.95 -4.51 115.64 107.46 1du3 s THR 90 Ca 0.00 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1du3 s THR 90 Cb 0.00 -0.52 -0.07 0.00 1.34 0.00 0.00 72.50 73.25 1du3 s THR 90 CO 0.00 -0.14 0.05 0.72 -0.54 0.00 0.00 174.62 174.72 1du3 s PHE 91 N -0.79 2.54 -0.00 3.99 -0.71 -0.70 -4.36 117.98 117.95 1du3 s PHE 91 Ca -0.04 -0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 55.21 1du3 s PHE 91 Cb -0.06 -1.79 -0.00 0.00 -1.21 0.00 0.00 43.02 39.95 1du3 s PHE 91 CO 0.00 0.38 0.04 0.50 -1.34 0.00 0.00 175.22 174.80 1du3 s ARG 92 N -3.76 0.21 0.28 1.99 3.52 -0.90 -1.42 118.95 118.86 1du3 s ARG 92 Ca 0.37 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 1du3 s ARG 92 Cb 0.07 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 1du3 s ARG 92 CO 0.19 -0.04 0.21 -0.85 -0.81 0.00 0.00 175.30 174.00 1du3 n GLU 93 N 2.31 0.39 -0.34 5.12 0.28 -1.21 -4.33 120.64 122.86 1du3 n GLU 93 Ca -0.18 -2.70 0.16 0.00 -0.16 0.00 0.00 57.16 54.28 1du3 n GLU 93 Cb 0.57 2.06 0.35 0.00 1.43 0.00 0.00 31.44 35.86 1du3 n GLU 93 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1du3 h GLU 94 N 0.00 0.55 -0.42 3.44 4.81 -2.01 -0.99 114.58 119.96 1du3 h GLU 94 Ca -0.20 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1du3 h GLU 94 Cb 0.97 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1du3 h GLU 94 CO 0.30 0.37 0.03 -0.25 -0.73 0.00 0.00 179.01 178.73 1du3 n ASP 95 N -4.90 4.43 -2.74 1.04 8.00 -1.26 -4.51 116.55 116.61 1du3 n ASP 95 Ca 0.25 -3.08 -0.09 0.00 0.71 0.00 0.00 54.79 52.58 1du3 n ASP 95 Cb 0.69 -0.62 0.09 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.20 -1.30 0.03 -2.24 3.41 -0.41 -4.96 113.62 107.95 1du3 n SER 96 Ca 0.27 -2.88 0.11 0.00 -0.26 0.00 0.00 58.87 56.12 1du3 n SER 96 Cb 1.06 0.90 0.48 0.00 -0.26 0.00 0.00 64.21 66.39 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 -0.19 0.06 0.18 4.33 -0.04 -1.04 -3.28 135.00 135.03 1du3 n PRO 97 Ca 0.03 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1du3 n PRO 97 Cb 0.79 -1.58 0.11 0.00 -0.04 0.00 0.00 33.50 32.78 1du3 n PRO 97 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1du3 h GLU 98 N 0.00 0.00 -3.31 0.54 4.39 -1.93 -3.47 114.58 110.80 1du3 h GLU 98 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1du3 h GLU 98 Cb 0.44 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.92 1du3 h GLU 98 CO 0.00 0.12 -0.26 1.41 -1.16 0.00 0.00 179.01 179.13 1du3 s MET 99 N -3.16 0.80 -0.58 2.33 1.75 -1.25 -5.10 119.30 114.09 1du3 s MET 99 Ca 0.05 -0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 53.75 1du3 s MET 99 Cb 0.06 0.35 0.05 0.00 2.84 0.00 0.00 34.83 38.13 1du3 s MET 99 CO 0.70 -0.26 0.92 0.00 -0.65 0.00 0.00 175.02 175.74 1du3 s ARG 101 N 3.88 4.58 0.07 0.00 0.52 -0.51 -4.75 118.95 122.73 1du3 s ARG 101 Ca 0.27 1.85 -0.31 0.00 -0.52 0.00 0.00 55.73 57.02 1du3 s ARG 101 Cb -0.14 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 1du3 s ARG 101 CO 0.16 0.10 1.71 0.15 0.02 0.00 0.00 175.30 177.45 1du3 s LYS 102 N -1.14 4.18 0.88 3.54 1.02 -1.26 -1.72 119.74 125.24 1du3 s LYS 102 Ca 0.47 2.40 -0.15 0.00 0.02 0.00 0.00 55.97 58.71 1du3 s LYS 102 Cb -0.33 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 1du3 s LYS 102 CO 0.41 -0.78 0.20 -0.25 -0.92 0.00 0.00 175.35 174.01 1du3 n ASP 116 N 5.89 -2.62 -4.71 2.83 8.00 -1.26 -4.78 116.55 119.90 1du3 n ASP 116 Ca 0.17 0.38 -0.29 0.00 0.71 0.00 0.00 54.79 55.76 1du3 n ASP 116 Cb 0.40 -1.12 0.16 0.00 -0.02 0.00 0.00 41.12 40.55 1du3 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 s THR 118 N -3.10 0.01 -1.64 0.00 -4.23 -0.59 -4.94 115.64 101.13 1du3 s THR 118 Ca 0.65 -1.27 0.19 0.00 -1.18 0.00 0.00 61.69 60.08 1du3 s THR 118 Cb -0.17 -2.08 0.41 0.00 1.34 0.00 0.00 72.50 72.00 1du3 s THR 118 CO 0.56 -0.02 1.56 -0.81 -0.54 0.00 0.00 174.62 175.36 1du3 n PRO 119 N -0.38 0.39 -0.42 3.99 -0.04 -1.26 -2.38 135.00 134.89 1du3 n PRO 119 Ca -0.03 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1du3 n PRO 119 Cb 0.61 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.64 1du3 n PRO 119 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1du3 n TRP 120 N -1.18 0.00 -3.51 0.54 8.01 -1.26 -2.12 117.44 117.92 1du3 n TRP 120 Ca 0.11 -0.47 -0.17 0.00 -1.31 0.00 0.00 57.50 55.66 1du3 n TRP 120 Cb 0.12 -0.10 -0.05 0.00 -2.01 0.00 0.00 31.31 29.26 1du3 n TRP 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1du3 s SER 121 N -1.85 -0.64 0.51 -0.99 0.15 -1.00 -4.68 113.70 105.20 1du3 s SER 121 Ca 0.16 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.47 1du3 s SER 121 Cb 0.15 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1du3 s SER 121 CO -0.00 -0.66 0.70 -0.62 1.20 0.00 0.00 173.24 173.86 1du3 s ASP 122 N -1.42 5.33 0.00 5.45 2.15 -1.26 -1.55 116.67 125.38 1du3 s ASP 122 Ca -0.09 -0.44 0.06 0.00 0.43 0.00 0.00 52.55 52.51 1du3 s ASP 122 Cb -0.00 -0.41 0.37 0.00 -0.30 0.00 0.00 42.92 42.58 1du3 s ASP 122 CO 0.07 -1.07 0.84 2.30 -0.17 0.00 0.00 175.17 177.13