#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kg1 s ARG 2 N 0.00 2.31 0.53 -1.24 0.52 -1.26 -4.81 118.95 115.00 1kg1 s ARG 2 Ca 0.00 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1kg1 s ARG 2 Cb 0.00 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1kg1 s ARG 2 CO 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 175.30 173.71 1kg1 n ARG 4 N -4.21 4.61 -1.27 0.00 1.74 0.69 -4.96 116.66 113.26 1kg1 n ARG 4 Ca -0.06 -4.71 -0.50 0.00 -0.77 0.00 0.00 57.85 51.81 1kg1 n ARG 4 Cb 0.64 -2.40 -0.07 0.00 -1.02 0.00 0.00 32.46 29.61 1kg1 n ARG 4 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1kg1 n TYR 5 N 0.10 0.87 -4.17 -1.55 4.11 -1.26 -4.47 117.16 110.79 1kg1 n TYR 5 Ca 0.39 0.87 -0.13 0.00 -0.00 0.00 0.00 57.90 59.03 1kg1 n TYR 5 Cb 0.31 -1.70 -0.08 0.00 -0.00 0.00 0.00 39.34 37.87 1kg1 n TYR 5 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1kg1 s THR 6 N 0.98 0.00 -0.32 -3.48 -1.32 -0.51 -4.96 115.64 106.04 1kg1 s THR 6 Ca 0.76 -1.87 -0.09 0.00 -1.21 0.00 0.00 61.69 59.28 1kg1 s THR 6 Cb -1.08 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 1kg1 s THR 6 CO 0.53 0.00 0.14 -0.76 -2.21 0.00 0.00 174.62 172.32 1kg1 s LEU 7 N -3.19 4.13 0.32 9.08 1.02 -1.26 -0.39 118.68 128.39 1kg1 s LEU 7 Ca 0.36 -0.64 0.09 0.00 0.02 0.00 0.00 54.13 53.96 1kg1 s LEU 7 Cb 0.04 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 44.22 1kg1 s LEU 7 CO 0.15 -0.22 -0.11 0.00 0.02 0.00 0.00 176.35 176.20 1kg1 n ASP 10 N 0.85 0.50 0.00 0.00 2.03 -1.26 -4.12 116.55 114.55 1kg1 n ASP 10 Ca -0.12 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1kg1 n ASP 10 Cb 0.52 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.47 2.87 2.69 0.27 0.00 -1.26 -4.80 105.19 106.43 1kg1 n GLY 11 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1kg1 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kg1 s ALA 12 N -1.24 -0.66 0.00 4.61 0.00 -1.26 -5.01 121.76 118.20 1kg1 s ALA 12 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1kg1 s ALA 12 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1kg1 s ALA 12 CO 0.00 -2.14 0.00 1.28 0.00 0.00 0.00 175.76 174.90 1kg1 n LEU 13 N 3.38 0.00 0.00 0.00 4.77 -1.26 -5.13 117.00 118.77 1kg1 n LEU 13 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1kg1 n LEU 13 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1kg1 n LEU 13 CO 0.04 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.27 1kg1 n LYS 14 N 0.00 0.00 -1.67 3.23 3.00 -1.26 -5.06 118.16 116.40 1kg1 n LYS 14 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1kg1 n LYS 14 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1kg1 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kg1 n ALA 15 N -0.02 0.84 -2.86 3.14 0.00 -1.26 -4.52 120.51 115.84 1kg1 n ALA 15 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1kg1 n ALA 15 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.21 1kg1 n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kg1 s VAL 16 N -1.10 0.07 -0.12 0.00 0.11 -0.22 -4.98 120.40 114.16 1kg1 s VAL 16 Ca 0.57 -1.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 1kg1 s VAL 16 Cb -0.60 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 1kg1 s VAL 16 CO 0.61 -0.33 0.42 -0.94 -3.33 0.00 0.00 175.10 171.53 1kg1 s SER 17 N -2.90 6.63 0.16 3.54 1.04 -1.26 -1.01 113.70 119.90 1kg1 s SER 17 Ca 0.11 0.75 0.07 0.00 0.48 0.00 0.00 55.95 57.35 1kg1 s SER 17 Cb 0.02 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1kg1 s SER 17 CO -0.05 0.06 -0.14 0.00 0.98 0.00 0.00 173.24 174.09 1kg1 s ALA 18 N 0.41 1.73 -1.11 5.32 0.00 0.48 -4.95 121.76 123.63 1kg1 s ALA 18 Ca 0.23 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1kg1 s ALA 18 Cb -0.15 -0.07 0.20 0.00 0.00 0.00 0.00 23.12 23.10 1kg1 s ALA 18 CO 0.09 0.07 1.26 0.00 0.00 0.00 0.00 175.76 177.18 1kg1 s LEU 20 N 0.90 4.20 0.00 0.00 0.20 -1.26 -4.88 118.68 117.84 1kg1 s LEU 20 Ca 0.36 0.28 0.07 0.00 0.69 0.00 0.00 54.13 55.53 1kg1 s LEU 20 Cb -0.05 -3.08 0.07 0.00 -0.43 0.00 0.00 46.19 42.69 1kg1 s LEU 20 CO -0.04 -0.13 0.56 1.41 -0.29 0.00 0.00 176.35 177.87 1kg1 n HIS 21 N -1.28 -1.87 0.24 5.38 8.25 -1.26 -0.22 115.22 124.45 1kg1 n HIS 21 Ca -0.06 -1.81 0.08 0.00 -0.26 0.00 0.00 57.72 55.67 1kg1 n HIS 21 Cb 0.56 -0.43 0.59 0.00 1.12 0.00 0.00 29.99 31.83 1kg1 n HIS 21 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1kg1 h GLU 22 N 0.00 0.00 0.00 -0.41 5.08 -1.98 -3.31 114.58 113.96 1kg1 h GLU 22 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1kg1 h GLU 22 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1kg1 h GLU 22 CO 0.36 0.17 0.00 -1.13 -1.00 0.00 0.00 179.01 177.41 1kg1 n SER 23 N -3.99 0.00 -3.33 1.42 3.41 -1.26 -4.91 113.62 104.97 1kg1 n SER 23 Ca -0.02 0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1kg1 n SER 23 Cb 0.25 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1kg1 n SER 23 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1kg1 n GLU 24 N -0.82 0.00 -3.94 4.33 4.07 -1.25 -4.98 120.64 118.04 1kg1 n GLU 24 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1kg1 n GLU 24 Cb 0.00 -0.80 -0.10 0.00 -0.06 0.00 0.00 31.44 30.48 1kg1 n GLU 24 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1kg1 s SER 25 N -0.80 0.18 0.27 4.31 0.15 -1.26 -4.58 113.70 111.97 1kg1 s SER 25 Ca 0.41 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.62 1kg1 s SER 25 Cb -0.32 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1kg1 s SER 25 CO 0.57 -0.42 0.20 0.00 1.20 0.00 0.00 173.24 174.79 1kg1 s LEU 27 N -3.28 3.59 0.31 0.00 2.96 -1.26 -4.98 118.68 116.01 1kg1 s LEU 27 Ca 0.39 -1.13 -0.27 0.00 -0.22 0.00 0.00 54.13 52.91 1kg1 s LEU 27 Cb 0.05 -2.54 -0.10 0.00 0.50 0.00 0.00 46.19 44.10 1kg1 s LEU 27 CO 0.20 -1.58 0.94 0.54 -1.32 0.00 0.00 176.35 175.13 1kg1 s VAL 28 N 4.97 4.19 0.15 1.68 0.11 -1.26 -0.94 120.40 129.30 1kg1 s VAL 28 Ca 0.39 1.86 -0.03 0.00 -2.93 0.00 0.00 61.98 61.28 1kg1 s VAL 28 Cb -0.04 -4.06 0.04 0.00 -1.53 0.00 0.00 36.38 30.78 1kg1 s VAL 28 CO 0.00 0.21 0.17 -0.81 -3.33 0.00 0.00 175.10 171.34 1kg1 n PRO 29 N 0.73 -0.75 -3.84 1.54 -0.04 -1.26 -4.91 135.00 126.47 1kg1 n PRO 29 Ca 0.01 -0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.11 1kg1 n PRO 29 Cb 0.50 -0.21 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 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 -3.09 0.14 -0.32 0.55 0.00 -0.70 -5.00 107.32 98.90 1kg1 s GLY 30 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1kg1 s GLY 30 CO 0.07 -0.69 0.09 0.99 0.00 0.00 0.00 173.10 173.56 1kg1 s ASP 31 N -2.88 5.22 -0.16 1.64 1.11 -1.26 -1.45 116.67 118.89 1kg1 s ASP 31 Ca 0.09 -1.02 -0.20 0.00 0.18 0.00 0.00 52.55 51.59 1kg1 s ASP 31 Cb 0.03 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 1kg1 s ASP 31 CO -0.07 -0.28 0.60 0.00 1.18 0.00 0.00 175.17 176.59 1kg1 s ARG 34 N -0.50 0.79 1.98 0.00 3.52 0.12 -0.03 118.95 124.84 1kg1 s ARG 34 Ca 0.12 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1kg1 s ARG 34 Cb -0.12 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 1kg1 s ARG 34 CO 0.02 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.43 1kg1 n GLY 35 N 5.05 0.34 2.40 8.12 0.00 -1.26 0.24 105.19 120.07 1kg1 n GLY 35 Ca -0.09 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 2.81 -3.84 1.61 2.85 -1.26 -5.05 118.16 115.28 1kg1 n LYS 36 Ca 0.00 -3.97 -0.09 0.00 -1.05 0.00 0.00 58.31 53.19 1kg1 n LYS 36 Cb 0.00 -1.98 -0.06 0.00 -0.65 0.00 0.00 35.03 32.34 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 -3.57 -0.01 -0.03 -5.58 0.01 0.14 -5.18 113.70 99.48 1kg1 s SER 37 Ca 0.42 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 1kg1 s SER 37 Cb 0.39 0.43 0.02 0.00 0.21 0.00 0.00 66.02 67.06 1kg1 s SER 37 CO -0.03 -0.85 0.24 -0.60 0.41 0.00 0.00 173.24 172.41 1kg1 s ARG 38 N -3.89 0.53 -0.10 12.44 3.00 -1.26 0.15 118.95 129.82 1kg1 s ARG 38 Ca 0.10 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.73 54.52 1kg1 s ARG 38 Cb 0.03 0.23 0.04 0.00 0.00 0.00 0.00 34.95 35.25 1kg1 s ARG 38 CO -0.06 -0.13 0.39 -0.48 0.00 0.00 0.00 175.30 175.02 1kg1 s LEU 39 N -1.06 0.51 -0.19 -0.88 0.05 -0.25 -4.98 118.68 111.89 1kg1 s LEU 39 Ca -0.11 0.58 -0.01 0.00 0.05 0.00 0.00 54.13 54.64 1kg1 s LEU 39 Cb -0.05 1.43 0.00 0.00 -2.05 0.00 0.00 46.19 45.52 1kg1 s LEU 39 CO 0.03 -0.27 -0.13 -0.89 -0.55 0.00 0.00 176.35 174.54 1kg1 s THR 40 N -0.37 2.71 0.22 5.48 2.01 -1.26 0.96 115.64 125.38 1kg1 s THR 40 Ca -0.05 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1kg1 s THR 40 Cb -0.03 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.31 1kg1 s THR 40 CO 0.02 0.49 0.32 0.18 -0.69 0.00 0.00 174.62 174.95 1kg1 n LEU 41 N 4.49 0.00 -4.32 4.42 4.77 -0.53 -4.96 117.00 120.88 1kg1 n LEU 41 Ca -0.19 -1.69 -0.34 0.00 -0.03 0.00 0.00 56.01 53.75 1kg1 n LEU 41 Cb 0.51 1.66 -0.14 0.00 -2.33 0.00 0.00 43.42 43.11 1kg1 n LEU 41 CO 0.28 -0.41 -0.42 0.00 -1.33 0.00 0.00 177.39 175.50 1kg1 s SER 43 N 1.01 -0.73 0.46 0.00 0.01 -1.26 -5.07 113.70 108.13 1kg1 s SER 43 Ca -0.01 1.27 0.08 0.00 1.31 0.00 0.00 55.95 58.60 1kg1 s SER 43 Cb -0.15 1.24 0.03 0.00 0.21 0.00 0.00 66.02 67.35 1kg1 s SER 43 CO -0.01 -0.34 0.60 -0.31 0.41 0.00 0.00 173.24 173.60 1kg1 s TYR 44 N -0.01 2.39 0.00 2.43 1.51 -1.26 -2.36 117.35 120.05 1kg1 s TYR 44 Ca -0.03 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1kg1 s TYR 44 Cb -0.04 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1kg1 s TYR 44 CO 0.03 -0.59 0.00 0.41 -1.11 0.00 0.00 175.55 174.30 1kg1 n GLY 45 N -1.92 -2.03 3.65 0.71 0.00 -1.14 -4.26 105.19 100.19 1kg1 n GLY 45 Ca 0.09 0.98 -0.02 0.00 0.00 0.00 0.00 46.02 47.08 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 0.00 0.02 -0.02 1.61 -1.05 -1.26 -4.65 118.70 113.34 1kg1 s GLU 46 Ca 0.00 -0.00 -0.05 0.00 -0.15 0.00 0.00 54.97 54.77 1kg1 s GLU 46 Cb 0.00 0.01 -0.21 0.00 -0.44 0.00 0.00 34.13 33.49 1kg1 s GLU 46 CO 0.00 -0.01 3.32 0.41 0.95 0.00 0.00 175.26 179.93 1kg1 n GLY 47 N 0.25 2.99 0.00 -3.83 0.00 -1.26 -4.53 105.19 98.81 1kg1 n GLY 47 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.25 -0.89 2.90 -0.02 0.00 -1.26 -5.12 105.19 103.06 1kg1 n GLY 48 Ca 0.36 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.94 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 2.00 0.40 0.04 1.61 0.01 -1.26 -5.07 114.94 112.66 1kg1 s ASN 49 Ca 0.00 -0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 51.78 1kg1 s ASN 49 Cb 0.00 1.07 0.10 0.00 0.41 0.00 0.00 41.25 42.83 1kg1 s ASN 49 CO 0.00 -0.33 1.11 -0.83 -1.51 0.00 0.00 177.10 175.54 1kg1 s GLY 50 N 2.53 -0.33 0.08 0.66 0.00 -1.26 -5.07 107.32 103.93 1kg1 s GLY 50 Ca 0.11 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 1kg1 s GLY 50 CO -0.23 0.13 0.27 -0.12 0.00 0.00 0.00 173.10 173.15 1kg1 s PHE 51 N -2.84 3.51 0.05 1.90 5.36 -1.26 -2.88 117.98 121.83 1kg1 s PHE 51 Ca 0.12 0.40 -0.14 0.00 -0.96 0.00 0.00 56.93 56.35 1kg1 s PHE 51 Cb 0.01 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1kg1 s PHE 51 CO -0.02 0.54 0.32 -1.14 -1.46 0.00 0.00 175.22 173.46 1kg1 s GLN 52 N -2.44 0.85 0.27 10.12 2.00 -0.99 -4.63 119.66 124.84 1kg1 s GLN 52 Ca 0.36 -0.53 -0.07 0.00 -2.00 0.00 0.00 55.36 53.12 1kg1 s GLN 52 Cb -0.13 0.37 -0.06 0.00 0.80 0.00 0.00 33.01 33.99 1kg1 s GLN 52 CO 0.25 -0.28 0.56 0.00 -0.50 0.00 0.00 175.29 175.31 1kg1 s PRO 54 N -3.28 1.65 0.12 0.00 0.04 -1.26 -4.93 135.00 127.34 1kg1 s PRO 54 Ca 0.45 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1kg1 s PRO 54 Cb -0.11 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1kg1 s PRO 54 CO 0.27 -1.89 1.60 0.99 0.04 0.00 0.00 177.00 178.01 1kg1 s THR 55 N -3.21 2.84 0.00 1.26 2.01 -1.26 -1.60 115.64 115.67 1kg1 s THR 55 Ca 0.62 0.49 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1kg1 s THR 55 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1kg1 s THR 55 CO 0.54 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1kg1 n GLY 56 N 3.85 0.40 3.83 4.40 0.00 -1.26 -5.06 105.19 111.35 1kg1 n GLY 56 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.13 1.85 0.36 1.61 1.51 -0.63 -4.80 117.35 115.12 1kg1 s TYR 57 Ca 0.00 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1kg1 s TYR 57 Cb 0.00 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1kg1 s TYR 57 CO 0.00 -0.14 0.48 0.54 -1.11 0.00 0.00 175.55 175.32 1kg1 n ARG 58 N -1.52 0.70 -3.11 -0.62 1.74 0.96 -4.81 116.66 110.01 1kg1 n ARG 58 Ca -0.08 -2.97 -0.40 0.00 -0.77 0.00 0.00 57.85 53.63 1kg1 n ARG 58 Cb 0.65 2.81 -0.06 0.00 -1.02 0.00 0.00 32.46 34.84 1kg1 n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1kg1 s GLN 59 N -2.89 4.20 0.00 5.56 -1.52 -1.26 0.64 119.66 124.38 1kg1 s GLN 59 Ca 0.31 0.62 0.31 0.00 -1.95 0.00 0.00 55.36 54.66 1kg1 s GLN 59 Cb -0.01 -3.59 1.77 0.00 -0.22 0.00 0.00 33.01 30.96 1kg1 s GLN 59 CO 0.23 -0.28 2.15 0.00 -0.25 0.00 0.00 175.29 177.14