#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kg1 n ARG 2 N 0.00 -3.17 0.00 -1.24 5.12 -1.26 -5.08 116.66 111.03 1kg1 n ARG 2 Ca 0.00 2.58 0.00 0.00 -1.93 0.00 0.00 57.85 58.50 1kg1 n ARG 2 Cb 0.00 -3.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.65 1kg1 n ARG 2 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kg1 s ARG 4 N -2.00 2.62 0.18 0.00 0.52 -1.09 -4.96 118.95 114.21 1kg1 s ARG 4 Ca 0.00 -2.09 -0.33 0.00 -0.52 0.00 0.00 55.73 52.78 1kg1 s ARG 4 Cb 0.00 -3.91 -0.15 0.00 0.52 0.00 0.00 34.95 31.41 1kg1 s ARG 4 CO 0.00 -1.19 1.38 0.66 0.02 0.00 0.00 175.30 176.16 1kg1 n TYR 5 N 4.33 1.86 -4.05 -0.53 4.01 -1.26 -4.06 117.16 117.46 1kg1 n TYR 5 Ca 0.00 0.49 -0.09 0.00 -0.16 0.00 0.00 57.90 58.15 1kg1 n TYR 5 Cb 0.41 -2.41 -0.09 0.00 -0.31 0.00 0.00 39.34 36.94 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1kg1 s THR 6 N 0.24 0.12 -0.32 -0.72 2.01 0.35 -4.98 115.64 112.34 1kg1 s THR 6 Ca 0.75 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 60.94 1kg1 s THR 6 Cb -0.76 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1kg1 s THR 6 CO 0.47 -0.56 0.37 -0.76 -0.69 0.00 0.00 174.62 173.45 1kg1 s LEU 7 N -2.98 4.32 0.28 4.42 2.01 -1.26 -1.14 118.68 124.33 1kg1 s LEU 7 Ca 0.16 -0.09 0.06 0.00 0.01 0.00 0.00 54.13 54.28 1kg1 s LEU 7 Cb 0.06 -2.37 -0.06 0.00 0.01 0.00 0.00 46.19 43.84 1kg1 s LEU 7 CO -0.03 -0.30 -0.04 0.00 1.01 0.00 0.00 176.35 176.99 1kg1 n ASP 10 N -2.23 7.66 0.00 0.00 2.03 0.18 -4.38 116.55 119.80 1kg1 n ASP 10 Ca 0.02 -3.80 0.00 0.00 0.52 0.00 0.00 54.79 51.53 1kg1 n ASP 10 Cb 0.55 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1kg1 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kg1 n GLY 11 N -0.83 3.08 0.00 0.27 0.00 -1.26 -4.90 105.19 101.55 1kg1 n GLY 11 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1kg1 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kg1 n ALA 12 N -0.67 0.00 -0.04 4.61 0.00 -1.26 -5.04 120.51 118.12 1kg1 n ALA 12 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1kg1 n ALA 12 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1kg1 n ALA 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kg1 n LEU 13 N 0.00 1.22 -4.52 0.00 -0.00 -1.26 -4.69 117.00 107.75 1kg1 n LEU 13 Ca 0.00 0.26 -0.40 0.00 -0.00 0.00 0.00 56.01 55.88 1kg1 n LEU 13 Cb 0.00 -0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 43.23 1kg1 n LEU 13 CO 0.00 0.54 2.09 2.29 -0.00 0.00 0.00 177.39 182.31 1kg1 n LYS 14 N -3.10 0.59 -2.95 1.96 2.85 -1.26 -4.78 118.16 111.47 1kg1 n LYS 14 Ca -0.25 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.63 1kg1 n LYS 14 Cb 1.07 -2.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.91 1kg1 n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kg1 s ALA 15 N 10.34 3.29 0.10 0.58 0.00 -1.26 -0.64 121.76 134.16 1kg1 s ALA 15 Ca 1.16 0.25 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1kg1 s ALA 15 Cb -0.72 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1kg1 s ALA 15 CO 0.38 -0.15 -0.11 0.54 0.00 0.00 0.00 175.76 176.43 1kg1 s VAL 16 N 0.87 1.03 -0.01 0.00 0.11 0.96 -4.94 120.40 118.42 1kg1 s VAL 16 Ca 0.42 -1.61 -0.22 0.00 -2.93 0.00 0.00 61.98 57.64 1kg1 s VAL 16 Cb -0.19 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.27 1kg1 s VAL 16 CO 0.21 -0.49 0.66 -0.94 -3.33 0.00 0.00 175.10 171.20 1kg1 s SER 17 N -2.35 7.03 0.13 3.54 1.04 -1.26 -1.33 113.70 120.50 1kg1 s SER 17 Ca 0.05 1.23 -0.00 0.00 0.48 0.00 0.00 55.95 57.71 1kg1 s SER 17 Cb -0.04 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1kg1 s SER 17 CO 0.01 0.04 0.02 0.00 0.98 0.00 0.00 173.24 174.28 1kg1 s ALA 18 N 0.04 0.95 -0.42 5.32 0.00 -0.29 -4.96 121.76 122.40 1kg1 s ALA 18 Ca 0.34 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1kg1 s ALA 18 Cb -0.19 0.63 0.11 0.00 0.00 0.00 0.00 23.12 23.68 1kg1 s ALA 18 CO 0.19 -0.40 0.18 0.00 0.00 0.00 0.00 175.76 175.72 1kg1 s LEU 20 N 0.73 2.79 0.67 0.00 1.02 -1.26 -4.90 118.68 117.74 1kg1 s LEU 20 Ca 0.11 -0.77 -0.02 0.00 0.02 0.00 0.00 54.13 53.48 1kg1 s LEU 20 Cb -0.21 -1.42 0.09 0.00 0.02 0.00 0.00 46.19 44.66 1kg1 s LEU 20 CO -0.05 0.07 0.94 -1.00 0.02 0.00 0.00 176.35 176.33 1kg1 s HIS 21 N -2.00 2.28 0.36 0.29 3.76 -1.26 -2.69 115.29 116.03 1kg1 s HIS 21 Ca 0.26 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.24 1kg1 s HIS 21 Cb -0.07 -3.01 0.69 0.00 1.11 0.00 0.00 32.58 31.30 1kg1 s HIS 21 CO 0.15 -1.42 1.86 0.93 -0.85 0.00 0.00 174.74 175.41 1kg1 h GLU 22 N -0.39 0.26 0.00 1.40 5.08 -2.00 -0.54 114.58 118.38 1kg1 h GLU 22 Ca -0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1kg1 h GLU 22 Cb 1.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1kg1 h GLU 22 CO 0.48 0.45 0.00 0.43 -1.00 0.00 0.00 179.01 179.37 1kg1 n SER 23 N -4.21 0.00 -4.36 1.42 7.64 -1.26 -4.77 113.62 108.08 1kg1 n SER 23 Ca -0.01 -1.25 -0.21 0.00 1.01 0.00 0.00 58.87 58.40 1kg1 n SER 23 Cb 0.32 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.41 1kg1 n SER 23 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1kg1 s GLU 24 N -2.00 1.36 -0.12 1.43 2.56 -0.21 -5.15 118.70 116.57 1kg1 s GLU 24 Ca 0.33 -1.52 -0.10 0.00 0.00 0.00 0.00 54.97 53.68 1kg1 s GLU 24 Cb 0.15 -1.36 0.03 0.00 2.00 0.00 0.00 34.13 34.96 1kg1 s GLU 24 CO 0.26 0.26 0.31 -1.12 -0.56 0.00 0.00 175.26 174.41 1kg1 s SER 25 N -2.97 -0.33 0.46 -1.70 0.01 -1.26 -4.57 113.70 103.34 1kg1 s SER 25 Ca 0.20 0.64 0.06 0.00 1.31 0.00 0.00 55.95 58.16 1kg1 s SER 25 Cb -0.04 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 1kg1 s SER 25 CO 0.08 -0.12 0.29 0.00 0.41 0.00 0.00 173.24 173.89 1kg1 n LEU 27 N -1.48 1.35 -4.77 0.00 7.94 -1.26 -4.88 117.00 113.90 1kg1 n LEU 27 Ca -0.01 -2.00 -0.38 0.00 -1.11 0.00 0.00 56.01 52.51 1kg1 n LEU 27 Cb 0.64 -1.64 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 1kg1 n LEU 27 CO 0.43 -3.15 0.69 -0.69 -1.11 0.00 0.00 177.39 173.56 1kg1 s VAL 28 N 15.49 3.97 0.48 1.96 1.01 -1.26 -0.20 120.40 141.86 1kg1 s VAL 28 Ca 0.85 1.70 -0.08 0.00 0.00 0.00 0.00 61.98 64.45 1kg1 s VAL 28 Cb -0.10 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1kg1 s VAL 28 CO 0.15 0.19 0.53 -0.81 0.00 0.00 0.00 175.10 175.16 1kg1 n PRO 29 N 0.63 -1.24 -3.91 2.72 -0.04 -1.26 -4.86 135.00 127.03 1kg1 n PRO 29 Ca 0.02 -0.83 -0.10 0.00 -0.04 0.00 0.00 63.50 62.55 1kg1 n PRO 29 Cb 0.49 -0.66 -0.06 0.00 -0.04 0.00 0.00 33.50 33.23 1kg1 n PRO 29 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kg1 s GLY 30 N -3.83 0.36 -0.19 0.55 0.00 0.24 -4.95 107.32 99.49 1kg1 s GLY 30 Ca 0.32 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 1kg1 s GLY 30 CO 0.23 -0.68 0.00 0.99 0.00 0.00 0.00 173.10 173.65 1kg1 s ASP 31 N -2.95 4.90 -0.28 1.64 1.01 -1.26 -0.87 116.67 118.87 1kg1 s ASP 31 Ca 0.16 -0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1kg1 s ASP 31 Cb 0.02 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1kg1 s ASP 31 CO 0.01 0.08 0.08 0.00 0.21 0.00 0.00 175.17 175.55 1kg1 s ARG 34 N 0.09 1.01 0.00 0.00 3.00 0.67 -0.75 118.95 122.98 1kg1 s ARG 34 Ca 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.68 1kg1 s ARG 34 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 34.95 33.80 1kg1 s ARG 34 CO -0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.30 175.58 1kg1 n GLY 35 N 4.30 0.55 2.59 8.12 0.00 -1.26 0.14 105.19 119.63 1kg1 n GLY 35 Ca -0.20 0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1kg1 n GLY 35 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kg1 n LYS 36 N 0.00 2.50 -3.48 1.61 2.85 -1.26 -5.05 118.16 115.33 1kg1 n LYS 36 Ca 0.00 -4.15 -0.12 0.00 -1.05 0.00 0.00 58.31 52.98 1kg1 n LYS 36 Cb 0.00 -1.94 -0.03 0.00 -0.65 0.00 0.00 35.03 32.41 1kg1 n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1kg1 s SER 37 N -3.26 -0.50 0.05 -5.58 0.01 0.37 -5.18 113.70 99.61 1kg1 s SER 37 Ca 0.42 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1kg1 s SER 37 Cb 0.37 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 1kg1 s SER 37 CO -0.11 -0.91 -0.09 -0.60 0.41 0.00 0.00 173.24 171.94 1kg1 s ARG 38 N -3.54 0.60 0.09 12.44 3.00 -1.26 -0.23 118.95 130.04 1kg1 s ARG 38 Ca 0.00 -0.83 -0.03 0.00 -1.00 0.00 0.00 55.73 53.88 1kg1 s ARG 38 Cb -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 34.95 34.52 1kg1 s ARG 38 CO -0.11 0.07 0.05 -0.51 0.00 0.00 0.00 175.30 174.81 1kg1 s LEU 39 N -1.69 1.99 -0.25 -0.88 2.01 0.11 -4.95 118.68 115.02 1kg1 s LEU 39 Ca -0.07 -1.01 -0.03 0.00 0.01 0.00 0.00 54.13 53.03 1kg1 s LEU 39 Cb -0.09 0.43 0.10 0.00 0.01 0.00 0.00 46.19 46.64 1kg1 s LEU 39 CO 0.01 -0.68 0.20 -0.89 1.01 0.00 0.00 176.35 175.99 1kg1 s THR 40 N -3.96 -0.23 0.09 5.49 2.01 -1.26 -0.26 115.64 117.53 1kg1 s THR 40 Ca 0.13 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 1kg1 s THR 40 Cb 0.07 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1kg1 s THR 40 CO -0.06 -0.47 0.14 0.18 -0.69 0.00 0.00 174.62 173.73 1kg1 n LEU 41 N 5.29 0.00 -4.54 4.42 4.77 -0.05 -4.92 117.00 121.98 1kg1 n LEU 41 Ca -0.05 -0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 54.90 1kg1 n LEU 41 Cb 0.46 0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 42.14 1kg1 n LEU 41 CO 0.05 -0.17 -0.34 0.00 -1.33 0.00 0.00 177.39 175.59 1kg1 s SER 43 N 0.08 -1.51 0.54 0.00 0.15 -1.26 -4.84 113.70 106.85 1kg1 s SER 43 Ca 0.00 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.87 1kg1 s SER 43 Cb -0.13 1.95 0.06 0.00 -1.71 0.00 0.00 66.02 66.19 1kg1 s SER 43 CO 0.03 -0.27 0.63 -0.31 1.20 0.00 0.00 173.24 174.51 1kg1 s TYR 44 N 2.80 1.71 0.00 3.44 1.51 -1.26 0.18 117.35 125.73 1kg1 s TYR 44 Ca 0.12 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1kg1 s TYR 44 Cb -0.09 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1kg1 s TYR 44 CO -0.25 -0.81 0.00 0.41 -1.11 0.00 0.00 175.55 173.79 1kg1 n GLY 45 N -2.02 4.97 3.16 0.71 0.00 -1.26 -4.65 105.19 106.11 1kg1 n GLY 45 Ca 0.09 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1kg1 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kg1 s GLU 46 N 4.19 2.53 0.00 1.61 1.03 -1.26 -4.88 118.70 121.92 1kg1 s GLU 46 Ca 0.00 -0.72 0.00 0.00 0.03 0.00 0.00 54.97 54.28 1kg1 s GLU 46 Cb 0.00 -1.97 0.00 0.00 -0.80 0.00 0.00 34.13 31.36 1kg1 s GLU 46 CO 0.00 0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.49 1kg1 n GLY 47 N 3.56 -0.66 0.07 -3.83 0.00 -1.26 -5.05 105.19 98.02 1kg1 n GLY 47 Ca -0.20 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1kg1 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kg1 n GLY 48 N 0.00 -2.31 2.86 -0.02 0.00 -1.26 -5.10 105.19 99.36 1kg1 n GLY 48 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 1kg1 n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kg1 s ASN 49 N 0.53 0.80 -0.10 1.61 0.01 -1.26 -5.09 114.94 111.43 1kg1 s ASN 49 Ca 0.00 -0.35 -0.33 0.00 -0.71 0.00 0.00 52.86 51.47 1kg1 s ASN 49 Cb 0.00 0.89 0.13 0.00 0.41 0.00 0.00 41.25 42.68 1kg1 s ASN 49 CO 0.00 -0.35 1.29 -0.83 -1.51 0.00 0.00 177.10 175.70 1kg1 s GLY 50 N 2.48 -0.37 0.56 0.66 0.00 -1.26 -5.17 107.32 104.23 1kg1 s GLY 50 Ca 0.10 1.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 1kg1 s GLY 50 CO -0.27 0.30 0.93 -0.12 0.00 0.00 0.00 173.10 173.94 1kg1 s PHE 51 N -2.35 3.59 -0.41 1.90 5.36 -1.26 -4.34 117.98 120.47 1kg1 s PHE 51 Ca 0.12 1.07 0.07 0.00 -0.96 0.00 0.00 56.93 57.24 1kg1 s PHE 51 Cb 0.03 -2.56 0.24 0.00 -0.34 0.00 0.00 43.02 40.39 1kg1 s PHE 51 CO -0.04 -0.54 0.56 0.94 -1.46 0.00 0.00 175.22 174.68 1kg1 n GLN 52 N -2.55 0.65 -1.19 10.12 0.00 0.49 -4.77 117.38 120.13 1kg1 n GLN 52 Ca 0.04 -2.96 -0.37 0.00 -0.00 0.00 0.00 57.00 53.70 1kg1 n GLN 52 Cb 0.55 -1.31 0.05 0.00 0.00 0.00 0.00 30.24 29.52 1kg1 n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kg1 s PRO 54 N -2.09 1.24 0.16 0.00 0.04 -1.26 -4.91 135.00 128.17 1kg1 s PRO 54 Ca 0.58 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1kg1 s PRO 54 Cb -0.36 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1kg1 s PRO 54 CO 0.66 -2.14 1.60 -0.08 0.04 0.00 0.00 177.00 177.08 1kg1 s THR 55 N -3.27 2.60 0.00 1.26 -1.32 -1.26 -1.47 115.64 112.19 1kg1 s THR 55 Ca 0.63 0.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.51 1kg1 s THR 55 Cb -0.15 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1kg1 s THR 55 CO 0.53 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 1kg1 n GLY 56 N 3.82 0.93 3.84 6.08 0.00 -1.26 -5.05 105.19 113.55 1kg1 n GLY 56 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1kg1 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kg1 s TYR 57 N -2.25 2.83 -0.17 1.61 1.51 -0.54 -4.73 117.35 115.61 1kg1 s TYR 57 Ca 0.00 -0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1kg1 s TYR 57 Cb 0.00 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 40.05 1kg1 s TYR 57 CO 0.00 0.13 0.38 1.03 -1.11 0.00 0.00 175.55 175.98 1kg1 s ARG 58 N -4.01 0.31 -0.11 -0.62 0.52 0.07 -4.73 118.95 110.38 1kg1 s ARG 58 Ca 0.42 0.87 -0.40 0.00 -0.52 0.00 0.00 55.73 56.10 1kg1 s ARG 58 Cb -0.05 0.12 -0.19 0.00 0.52 0.00 0.00 34.95 35.35 1kg1 s ARG 58 CO 0.26 -0.22 1.15 1.04 0.02 0.00 0.00 175.30 177.56 1kg1 n GLN 59 N 4.92 0.00 0.00 3.54 6.02 -1.26 0.05 117.38 130.65 1kg1 n GLN 59 Ca -0.14 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.00 1kg1 n GLN 59 Cb 0.52 -1.45 0.94 0.00 1.02 0.00 0.00 30.24 31.27 1kg1 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05