#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0g s LYS 2 N 0.00 3.84 0.57 0.03 -0.14 -1.26 -4.90 119.74 117.88 1r0g s LYS 2 Ca 0.00 0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.74 1r0g s LYS 2 Cb 0.00 -2.93 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 1r0g s LYS 2 CO 0.00 0.50 1.05 0.15 -0.76 0.00 0.00 175.35 176.29 1r0g s LYS 3 N -2.04 3.47 0.06 1.68 1.02 -1.26 -4.62 119.74 118.05 1r0g s LYS 3 Ca 0.36 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.63 1r0g s LYS 3 Cb -0.14 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1r0g s LYS 3 CO 0.19 -0.69 -0.17 0.71 -0.92 0.00 0.00 175.35 174.47 1r0g s TYR 4 N -2.38 1.50 0.02 3.18 1.51 -0.86 -1.23 117.35 119.08 1r0g s TYR 4 Ca 0.64 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 1r0g s TYR 4 Cb -0.16 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1r0g s TYR 4 CO 0.33 0.09 -0.26 0.99 -1.11 0.00 0.00 175.55 175.59 1r0g s THR 5 N -0.95 2.05 -0.11 -0.71 2.01 -0.17 -0.24 115.64 117.53 1r0g s THR 5 Ca 0.04 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.49 1r0g s THR 5 Cb -0.09 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1r0g s THR 5 CO 0.02 0.44 1.24 0.00 -0.69 0.00 0.00 174.62 175.63 1r0g n THR 7 N 4.98 0.00 -0.08 0.00 -2.24 -0.30 -1.34 114.28 115.28 1r0g n THR 7 Ca 0.12 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1r0g n THR 7 Cb 0.45 -0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1r0g n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r0g h VAL 8 N 0.60 0.93 0.00 2.28 2.07 -1.91 -3.44 116.25 116.78 1r0g h VAL 8 Ca 0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1r0g h VAL 8 Cb 0.33 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1r0g h VAL 8 CO 0.00 0.32 -1.32 0.00 0.02 0.00 0.00 177.57 176.58 1r0g n GLY 10 N 1.99 0.35 3.67 0.00 0.00 -0.45 -5.05 105.19 105.69 1r0g n GLY 10 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1r0g n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r0g n TYR 11 N -1.77 2.02 -4.06 1.61 9.36 -1.26 -4.65 117.16 118.41 1r0g n TYR 11 Ca 0.00 0.57 -0.35 0.00 3.32 0.00 0.00 57.90 61.45 1r0g n TYR 11 Cb 0.00 -2.38 -0.13 0.00 -0.63 0.00 0.00 39.34 36.20 1r0g n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r0g s ILE 12 N -0.93 3.68 -0.26 2.97 1.01 -1.26 -0.60 121.20 125.81 1r0g s ILE 12 Ca 0.58 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 1r0g s ILE 12 Cb -0.61 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 1r0g s ILE 12 CO 0.60 0.43 0.85 -0.47 0.00 0.00 0.00 174.94 176.35 1r0g s TYR 13 N 1.14 3.28 -0.30 3.97 5.04 0.67 -4.96 117.35 126.19 1r0g s TYR 13 Ca 0.02 1.11 -0.06 0.00 -2.44 0.00 0.00 57.07 55.70 1r0g s TYR 13 Cb -0.15 -3.13 0.02 0.00 0.35 0.00 0.00 41.96 39.05 1r0g s TYR 13 CO 0.00 -0.46 0.08 1.21 -1.34 0.00 0.00 175.55 175.04 1r0g s ASN 14 N 1.40 5.12 0.60 4.32 3.84 -1.26 -2.02 114.94 126.93 1r0g s ASN 14 Ca 0.36 -0.82 0.32 0.00 0.21 0.00 0.00 52.86 52.92 1r0g s ASN 14 Cb -0.15 -1.86 1.90 0.00 -0.55 0.00 0.00 41.25 40.59 1r0g s ASN 14 CO 0.09 -0.22 2.27 1.55 -2.79 0.00 0.00 177.10 178.00 1r0g h PRO 15 N 8.22 0.00 -0.19 0.43 0.13 -1.82 -1.03 132.00 137.74 1r0g h PRO 15 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1r0g h PRO 15 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1r0g h PRO 15 CO 0.60 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.07 1r0g h GLU 16 N 0.00 0.33 0.00 0.86 5.08 -1.94 0.37 114.58 119.29 1r0g h GLU 16 Ca -0.00 -0.11 -0.29 0.00 -1.00 0.00 0.00 59.36 57.96 1r0g h GLU 16 Cb 0.00 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1r0g h GLU 16 CO 0.00 0.55 -1.77 -0.25 -1.00 0.00 0.00 179.01 176.54 1r0g n ASP 17 N -4.16 0.76 0.00 1.42 8.00 -0.57 -4.27 116.55 117.73 1r0g n ASP 17 Ca -0.01 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1r0g n ASP 17 Cb 0.37 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1r0g n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r0g n GLY 18 N 1.56 0.85 2.23 0.44 0.00 -0.50 -4.09 105.19 105.69 1r0g n GLY 18 Ca -0.18 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1r0g n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r0g n ASP 19 N -2.78 0.13 0.25 1.61 2.03 0.37 -4.72 116.55 113.45 1r0g n ASP 19 Ca 0.00 -2.84 0.08 0.00 0.52 0.00 0.00 54.79 52.56 1r0g n ASP 19 Cb 0.00 -0.44 0.63 0.00 -0.72 0.00 0.00 41.12 40.59 1r0g n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r0g h PRO 20 N 3.70 0.00 0.00 -0.67 0.13 -1.63 -1.64 132.00 131.89 1r0g h PRO 20 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1r0g h PRO 20 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1r0g h PRO 20 CO 0.46 0.05 -0.10 -0.44 -0.23 0.00 0.00 178.00 177.74 1r0g h ASP 21 N 0.00 0.00 -0.37 1.44 3.32 -1.96 -1.64 116.42 117.20 1r0g h ASP 21 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1r0g h ASP 21 Cb 0.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1r0g h ASP 21 CO 0.01 0.10 0.03 0.59 -1.72 0.00 0.00 179.24 178.24 1r0g n ASN 22 N -3.37 4.16 0.00 6.45 3.02 -0.67 -4.96 115.26 119.88 1r0g n ASN 22 Ca -0.01 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 1r0g n ASN 22 Cb 0.28 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1r0g n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r0g n GLY 23 N -0.36 0.63 3.35 7.41 0.00 -0.62 -5.02 105.19 110.59 1r0g n GLY 23 Ca 0.26 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1r0g n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0g s VAL 24 N -2.00 4.80 0.51 1.61 1.01 -0.87 -4.96 120.40 120.50 1r0g s VAL 24 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1r0g s VAL 24 Cb 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1r0g s VAL 24 CO 0.00 -0.50 1.04 0.20 0.00 0.00 0.00 175.10 175.84 1r0g s ASN 25 N 2.25 6.24 0.24 3.32 -0.87 -1.26 -0.48 114.94 124.38 1r0g s ASN 25 Ca 0.03 1.89 -0.29 0.00 -1.57 0.00 0.00 52.86 52.93 1r0g s ASN 25 Cb -0.23 -2.55 -0.15 0.00 -0.02 0.00 0.00 41.25 38.29 1r0g s ASN 25 CO 0.05 -0.85 0.87 -2.65 -2.57 0.00 0.00 177.10 171.94 1r0g n PRO 26 N -1.21 0.84 -0.57 -0.60 -0.02 -1.26 -2.41 135.00 129.78 1r0g n PRO 26 Ca 0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1r0g n PRO 26 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1r0g n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0g n GLY 27 N 1.59 0.73 3.63 -1.23 0.00 0.13 -4.92 105.19 105.12 1r0g n GLY 27 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1r0g n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0g s THR 28 N -2.25 5.01 0.41 2.61 2.01 -1.01 -5.00 115.64 117.41 1r0g s THR 28 Ca 0.00 1.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.82 1r0g s THR 28 Cb 0.00 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 1r0g s THR 28 CO 0.00 0.05 1.36 -0.62 -0.69 0.00 0.00 174.62 174.72 1r0g s ASP 29 N 1.44 6.24 0.28 3.53 -1.08 -1.26 -4.63 116.67 121.20 1r0g s ASP 29 Ca 0.25 2.77 0.02 0.00 -0.52 0.00 0.00 52.55 55.07 1r0g s ASP 29 Cb -0.16 -2.65 0.60 0.00 -1.46 0.00 0.00 42.92 39.26 1r0g s ASP 29 CO 0.09 -0.91 1.78 0.15 0.52 0.00 0.00 175.17 176.80 1r0g h PHE 30 N 2.68 0.95 0.00 -5.34 3.57 -1.96 -1.03 116.94 115.81 1r0g h PHE 30 Ca -0.50 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1r0g h PHE 30 Cb 1.25 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1r0g h PHE 30 CO 0.53 0.26 -0.07 1.57 -2.23 0.00 0.00 178.31 178.37 1r0g h LYS 31 N 0.76 0.00 -0.01 1.11 2.10 -1.99 -2.30 116.57 116.24 1r0g h LYS 31 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1r0g h LYS 31 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1r0g h LYS 31 CO -0.34 0.07 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.59 1r0g n ASP 32 N -4.15 1.20 -4.72 7.07 8.00 -0.40 -4.86 116.55 118.68 1r0g n ASP 32 Ca -0.03 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1r0g n ASP 32 Cb 0.15 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1r0g n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r0g s ILE 33 N -2.53 2.37 0.28 0.53 1.01 -0.87 -4.92 121.20 117.07 1r0g s ILE 33 Ca 0.22 0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 1r0g s ILE 33 Cb 0.19 -3.17 -0.14 0.00 0.01 0.00 0.00 42.46 39.34 1r0g s ILE 33 CO 0.55 0.02 0.93 -2.65 0.00 0.00 0.00 174.94 173.78 1r0g n PRO 34 N 3.86 1.13 0.00 2.79 -0.02 -1.26 -4.81 135.00 136.69 1r0g n PRO 34 Ca 0.14 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1r0g n PRO 34 Cb 0.37 -1.71 0.85 0.00 -0.02 0.00 0.00 33.50 33.00 1r0g n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0g n ASP 35 N 1.34 0.00 -0.88 2.55 8.00 -1.26 -1.74 116.55 124.56 1r0g n ASP 35 Ca 0.11 -0.89 0.12 0.00 0.71 0.00 0.00 54.79 54.84 1r0g n ASP 35 Cb 0.31 -0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.61 1r0g n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r0g n ASP 36 N -1.00 2.72 -4.76 -2.24 5.75 -1.26 -4.77 116.55 110.98 1r0g n ASP 36 Ca 0.21 -1.89 -0.38 0.00 -0.01 0.00 0.00 54.79 52.72 1r0g n ASP 36 Cb 0.10 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1r0g n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1r0g s TRP 37 N -1.94 2.73 0.16 2.11 -0.00 -0.71 -5.02 118.94 116.27 1r0g s TRP 37 Ca 0.31 1.48 0.06 0.00 -0.00 0.00 0.00 56.10 57.95 1r0g s TRP 37 Cb 0.20 -3.52 -0.04 0.00 -0.00 0.00 0.00 33.47 30.11 1r0g s TRP 37 CO 0.31 -1.92 -0.13 0.14 -0.00 0.00 0.00 176.95 175.35 1r0g s VAL 38 N -1.44 1.44 0.08 5.86 -7.23 -1.26 -3.78 120.40 114.07 1r0g s VAL 38 Ca 0.64 -2.03 -0.35 0.00 -1.81 0.00 0.00 61.98 58.43 1r0g s VAL 38 Cb -0.33 -1.85 -0.14 0.00 0.56 0.00 0.00 36.38 34.62 1r0g s VAL 38 CO 0.40 -0.60 1.56 0.00 -0.31 0.00 0.00 175.10 176.15 1r0g h PRO 40 N 6.06 0.00 0.00 0.00 0.13 -1.96 -1.26 132.00 134.97 1r0g h PRO 40 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1r0g h PRO 40 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1r0g h PRO 40 CO 0.87 0.00 -1.53 1.28 -0.23 0.00 0.00 178.00 178.39 1r0g n LEU 41 N -2.80 1.89 -0.00 1.56 4.77 -1.26 -4.77 117.00 116.40 1r0g n LEU 41 Ca -0.01 0.42 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 1r0g n LEU 41 Cb 0.18 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1r0g n LEU 41 CO 0.21 0.19 -0.13 0.00 -1.33 0.00 0.00 177.39 176.33 1r0g n GLY 43 N 1.36 0.74 3.81 0.00 0.00 -0.47 -4.99 105.19 105.64 1r0g n GLY 43 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1r0g n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r0g s VAL 44 N -2.61 3.92 0.93 1.61 -7.23 -1.26 -4.53 120.40 111.23 1r0g s VAL 44 Ca 0.00 0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 1r0g s VAL 44 Cb 0.00 -3.35 0.16 0.00 0.56 0.00 0.00 36.38 33.75 1r0g s VAL 44 CO 0.00 -0.76 1.22 -0.83 -0.31 0.00 0.00 175.10 174.42 1r0g s GLY 45 N -3.54 1.66 0.53 2.32 0.00 -1.26 -0.57 107.32 106.46 1r0g s GLY 45 Ca 0.59 -0.87 0.20 0.00 0.00 0.00 0.00 44.72 44.64 1r0g s GLY 45 CO 0.51 -0.22 2.12 0.50 0.00 0.00 0.00 173.10 176.01 1r0g h LYS 46 N -1.54 0.00 0.00 2.90 1.57 -1.86 -2.60 116.57 115.04 1r0g h LYS 46 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1r0g h LYS 46 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1r0g h LYS 46 CO 0.51 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 1r0g n ASP 47 N -4.43 0.00 -1.24 0.86 5.68 -1.26 -1.61 116.55 114.55 1r0g n ASP 47 Ca 0.00 0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.54 1r0g n ASP 47 Cb 0.23 -0.30 0.29 0.00 -1.14 0.00 0.00 41.12 40.20 1r0g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r0g n GLN 48 N -1.30 2.71 -3.91 0.11 1.13 -0.98 -4.96 117.38 110.19 1r0g n GLN 48 Ca 0.06 -2.54 -0.31 0.00 -1.94 0.00 0.00 57.00 52.27 1r0g n GLN 48 Cb 0.10 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.89 1r0g n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r0g s PHE 49 N -1.05 3.52 0.05 1.08 0.40 -0.63 -1.16 117.98 120.19 1r0g s PHE 49 Ca 0.45 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1r0g s PHE 49 Cb 0.23 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1r0g s PHE 49 CO 0.31 0.58 -0.11 -1.83 0.70 0.00 0.00 175.22 174.87 1r0g s GLU 50 N -2.56 0.66 0.32 0.44 -1.05 -0.39 -4.94 118.70 111.18 1r0g s GLU 50 Ca 0.35 -0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 1r0g s GLU 50 Cb -0.13 -0.54 -0.12 0.00 -0.44 0.00 0.00 34.13 32.91 1r0g s GLU 50 CO 0.28 0.11 1.52 -1.91 0.95 0.00 0.00 175.26 176.21 1r0g n GLU 51 N 1.45 2.60 -3.25 -4.83 2.13 -1.26 -0.99 120.64 116.48 1r0g n GLU 51 Ca -0.22 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.11 1r0g n GLU 51 Cb 0.54 -2.66 -0.08 0.00 0.27 0.00 0.00 31.44 29.52 1r0g n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1r0g s VAL 52 N -0.50 5.02 -2.16 6.31 1.01 -0.37 -4.83 120.40 124.88 1r0g s VAL 52 Ca 0.60 0.37 0.31 0.00 0.00 0.00 0.00 61.98 63.25 1r0g s VAL 52 Cb -0.51 -3.95 0.79 0.00 0.00 0.00 0.00 36.38 32.72 1r0g s VAL 52 CO 0.55 -0.19 2.07 -0.62 0.00 0.00 0.00 175.10 176.91