#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 3.80 0.10 -0.67 0.52 -1.26 -5.09 118.95 116.36 1kg1 s ARG 2 Ca 0.00 0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 55.90 1kg1 s ARG 2 Cb 0.00 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 1kg1 s ARG 2 CO 0.00 -0.29 0.15 0.00 0.02 0.00 0.00 175.30 175.18 1kg1 n ARG 4 N -0.07 3.42 -1.63 0.00 1.74 -0.16 -4.96 116.66 115.01 1kg1 n ARG 4 Ca -0.12 -4.49 -0.58 0.00 -0.77 0.00 0.00 57.85 51.89 1kg1 n ARG 4 Cb 0.62 -2.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.49 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 2.24 1.86 -4.35 -1.55 0.18 -1.26 -4.26 117.16 110.02 1kg1 n TYR 5 Ca 0.24 0.60 -0.18 0.00 1.88 0.00 0.00 57.90 60.44 1kg1 n TYR 5 Cb 0.37 -2.43 -0.10 0.00 -0.38 0.00 0.00 39.34 36.81 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1kg1 s THR 6 N 4.32 1.06 -0.38 -3.48 2.01 -0.10 -4.92 115.64 114.15 1kg1 s THR 6 Ca 1.03 -2.03 -0.16 0.00 0.31 0.00 0.00 61.69 60.84 1kg1 s THR 6 Cb -1.14 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1kg1 s THR 6 CO 0.65 -0.26 0.37 -0.76 -0.69 0.00 0.00 174.62 173.94 1kg1 s LEU 7 N -3.34 4.70 0.31 4.42 1.02 -1.26 0.21 118.68 124.74 1kg1 s LEU 7 Ca 0.30 -0.51 0.09 0.00 0.02 0.00 0.00 54.13 54.03 1kg1 s LEU 7 Cb 0.06 -2.32 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 1kg1 s LEU 7 CO 0.10 -0.44 0.10 0.00 0.02 0.00 0.00 176.35 176.13 1kg1 n ASP 10 N 3.10 4.61 -2.06 0.00 -0.08 -1.26 -4.42 116.55 116.44 1kg1 n ASP 10 Ca -0.17 -3.10 -0.02 0.00 -1.51 0.00 0.00 54.79 49.99 1kg1 n ASP 10 Cb 0.53 -0.65 -0.00 0.00 2.34 0.00 0.00 41.12 43.34 1kg1 n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kg1 n GLY 11 N -0.12 -0.30 0.00 0.27 0.00 -1.26 -4.72 105.19 99.06 1kg1 n GLY 11 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.96 0.00 -0.15 4.61 0.00 -1.26 -5.00 120.51 116.75 1kg1 n ALA 12 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1kg1 n ALA 12 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1kg1 n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1kg1 n LEU 13 N 0.00 -0.39 0.00 0.00 -0.00 -1.26 -4.88 117.00 110.47 1kg1 n LEU 13 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 56.01 57.18 1kg1 n LEU 13 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1kg1 n LEU 13 CO 0.00 -0.79 0.00 1.17 -0.00 0.00 0.00 177.39 177.77 1kg1 n LYS 14 N -3.80 -2.07 -1.67 1.47 3.00 -1.26 -5.10 118.16 108.73 1kg1 n LYS 14 Ca 0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.86 1kg1 n LYS 14 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.09 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 -0.12 1.24 -2.44 3.14 0.00 -1.26 -4.27 120.51 116.79 1kg1 n ALA 15 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 1kg1 n ALA 15 Cb 0.00 -2.60 -0.11 0.00 0.00 0.00 0.00 19.45 16.73 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 4.50 2.20 0.54 0.00 0.11 0.47 -4.89 120.40 123.32 1kg1 s VAL 16 Ca 0.92 -2.05 -0.19 0.00 -2.93 0.00 0.00 61.98 57.73 1kg1 s VAL 16 Cb -0.56 -2.06 -0.06 0.00 -1.53 0.00 0.00 36.38 32.16 1kg1 s VAL 16 CO 0.47 -0.22 1.07 -0.55 -3.33 0.00 0.00 175.10 172.54 1kg1 s SER 17 N -2.79 5.97 0.03 3.54 0.15 -1.26 -0.88 113.70 118.46 1kg1 s SER 17 Ca 0.21 1.97 -0.14 0.00 0.70 0.00 0.00 55.95 58.68 1kg1 s SER 17 Cb -0.07 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1kg1 s SER 17 CO 0.10 -1.04 0.31 0.00 1.20 0.00 0.00 173.24 173.81 1kg1 s ALA 18 N -2.06 -0.74 -0.94 5.45 0.00 0.13 -4.85 121.76 118.76 1kg1 s ALA 18 Ca 0.68 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1kg1 s ALA 18 Cb -0.18 0.26 0.24 0.00 0.00 0.00 0.00 23.12 23.43 1kg1 s ALA 18 CO 0.27 -0.38 0.92 0.00 0.00 0.00 0.00 175.76 176.57 1kg1 s LEU 20 N -0.22 3.21 0.00 0.00 0.05 -1.26 -4.93 118.68 115.53 1kg1 s LEU 20 Ca 0.24 -0.85 0.01 0.00 0.05 0.00 0.00 54.13 53.57 1kg1 s LEU 20 Cb -0.10 -1.65 0.01 0.00 -2.05 0.00 0.00 46.19 42.40 1kg1 s LEU 20 CO -0.08 -0.35 0.06 1.41 -0.55 0.00 0.00 176.35 176.83 1kg1 n HIS 21 N -1.16 0.87 0.22 3.48 8.25 -1.26 -0.99 115.22 124.64 1kg1 n HIS 21 Ca -0.03 -2.39 0.09 0.00 -0.26 0.00 0.00 57.72 55.13 1kg1 n HIS 21 Cb 0.62 -0.34 0.49 0.00 1.12 0.00 0.00 29.99 31.88 1kg1 n HIS 21 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1kg1 h GLU 22 N 0.00 0.00 0.00 -0.41 4.81 -1.97 -1.54 114.58 115.47 1kg1 h GLU 22 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1kg1 h GLU 22 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1kg1 h GLU 22 CO 0.65 0.25 0.00 0.43 -0.73 0.00 0.00 179.01 179.62 1kg1 n SER 23 N -3.57 0.00 -4.20 1.04 7.64 -1.26 -4.77 113.62 108.49 1kg1 n SER 23 Ca -0.01 -0.77 -0.15 0.00 1.01 0.00 0.00 58.87 58.95 1kg1 n SER 23 Cb 0.39 -0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.13 0.93 -0.15 1.43 2.12 -0.58 -5.15 118.70 115.16 1kg1 s GLU 24 Ca 0.42 -1.22 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 1kg1 s GLU 24 Cb 0.21 -0.65 0.05 0.00 0.26 0.00 0.00 34.13 33.99 1kg1 s GLU 24 CO 0.38 0.11 0.37 0.45 -0.54 0.00 0.00 175.26 176.02 1kg1 s SER 25 N -2.54 -0.42 0.42 -1.70 0.15 -1.26 -4.48 113.70 103.86 1kg1 s SER 25 Ca 0.08 0.77 0.07 0.00 0.70 0.00 0.00 55.95 57.57 1kg1 s SER 25 Cb -0.03 0.71 -0.07 0.00 -1.71 0.00 0.00 66.02 64.93 1kg1 s SER 25 CO 0.01 -0.16 0.08 0.00 1.20 0.00 0.00 173.24 174.37 1kg1 s LEU 27 N -3.79 2.90 0.40 0.00 2.96 -1.26 -4.91 118.68 114.98 1kg1 s LEU 27 Ca 0.36 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 1kg1 s LEU 27 Cb 0.07 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.12 1kg1 s LEU 27 CO 0.19 -3.62 1.23 -0.69 -1.32 0.00 0.00 176.35 172.14 1kg1 s VAL 28 N 13.52 2.92 0.00 1.68 1.01 -1.26 -0.62 120.40 137.65 1kg1 s VAL 28 Ca 0.84 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1kg1 s VAL 28 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1kg1 s VAL 28 CO 0.07 0.09 0.00 -0.81 0.00 0.00 0.00 175.10 174.45 1kg1 n PRO 29 N 0.11 -0.17 -3.78 2.72 -0.04 -1.26 -4.85 135.00 127.73 1kg1 n PRO 29 Ca 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1kg1 n PRO 29 Cb 0.45 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.37 -0.11 -0.23 0.55 0.00 -0.34 -5.01 107.32 99.81 1kg1 s GLY 30 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 1kg1 s GLY 30 CO 0.00 0.01 0.04 0.99 0.00 0.00 0.00 173.10 174.14 1kg1 s ASP 31 N -1.43 5.01 -0.32 1.64 1.11 -1.26 -1.50 116.67 119.91 1kg1 s ASP 31 Ca -0.13 -0.20 -0.15 0.00 0.18 0.00 0.00 52.55 52.26 1kg1 s ASP 31 Cb -0.05 -1.88 -0.02 0.00 1.07 0.00 0.00 42.92 42.04 1kg1 s ASP 31 CO 0.03 0.01 0.34 0.00 1.18 0.00 0.00 175.17 176.73 1kg1 s ARG 34 N -0.91 0.38 3.68 0.00 3.52 0.73 0.28 118.95 126.63 1kg1 s ARG 34 Ca 0.12 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 1kg1 s ARG 34 Cb -0.11 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 1kg1 s ARG 34 CO 0.02 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1kg1 n GLY 35 N 5.39 0.77 0.53 8.12 0.00 -1.26 -0.73 105.19 118.00 1kg1 n GLY 35 Ca -0.06 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 0.92 -4.34 1.61 2.85 -1.26 -5.04 118.16 112.90 1kg1 n LYS 36 Ca 0.00 -2.40 -0.24 0.00 -1.05 0.00 0.00 58.31 54.63 1kg1 n LYS 36 Cb 0.00 -1.11 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 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 -2.49 2.80 0.02 -5.58 0.01 0.09 -5.15 113.70 103.40 1kg1 s SER 37 Ca 0.28 -0.81 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 1kg1 s SER 37 Cb 0.27 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1kg1 s SER 37 CO -0.04 0.03 0.22 -0.60 0.41 0.00 0.00 173.24 173.27 1kg1 s ARG 38 N -2.47 0.65 0.12 12.44 3.52 -1.26 -0.19 118.95 131.75 1kg1 s ARG 38 Ca 0.14 -0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 1kg1 s ARG 38 Cb -0.08 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1kg1 s ARG 38 CO 0.06 -0.18 0.31 -1.17 -0.81 0.00 0.00 175.30 173.52 1kg1 s LEU 39 N -1.70 0.84 -0.17 -0.88 2.96 0.13 -4.95 118.68 114.91 1kg1 s LEU 39 Ca -0.10 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 1kg1 s LEU 39 Cb -0.04 1.47 0.06 0.00 0.50 0.00 0.00 46.19 48.18 1kg1 s LEU 39 CO -0.00 -0.82 0.09 -0.89 -1.32 0.00 0.00 176.35 173.40 1kg1 s THR 40 N -3.85 -0.08 0.00 3.68 2.01 -1.26 0.64 115.64 116.78 1kg1 s THR 40 Ca 0.06 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1kg1 s THR 40 Cb 0.03 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1kg1 s THR 40 CO -0.10 -0.27 0.00 0.18 -0.69 0.00 0.00 174.62 173.74 1kg1 n LEU 41 N 5.27 0.00 -4.52 4.42 4.77 -0.56 -4.96 117.00 121.42 1kg1 n LEU 41 Ca -0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.55 1kg1 n LEU 41 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1kg1 n LEU 41 CO 0.10 0.00 -0.26 0.00 -1.33 0.00 0.00 177.39 175.90 1kg1 s SER 43 N 1.31 -1.56 0.47 0.00 0.01 -1.26 -5.02 113.70 107.65 1kg1 s SER 43 Ca 0.05 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 56.90 1kg1 s SER 43 Cb -0.15 1.98 0.03 0.00 0.21 0.00 0.00 66.02 68.09 1kg1 s SER 43 CO 0.04 -0.21 0.59 -0.31 0.41 0.00 0.00 173.24 173.77 1kg1 s TYR 44 N 2.13 2.30 -0.26 2.43 2.02 -1.26 0.33 117.35 125.04 1kg1 s TYR 44 Ca 0.14 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1kg1 s TYR 44 Cb -0.06 -2.26 0.24 0.00 -0.40 0.00 0.00 41.96 39.48 1kg1 s TYR 44 CO -0.13 -0.59 1.78 0.41 -1.57 0.00 0.00 175.55 175.46 1kg1 n GLY 45 N -1.91 3.68 1.59 0.71 0.00 -1.19 -4.43 105.19 103.64 1kg1 n GLY 45 Ca 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1kg1 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kg1 n GLU 46 N 0.16 -4.08 0.00 1.61 -0.58 -1.26 -4.70 120.64 111.78 1kg1 n GLU 46 Ca 0.28 3.18 0.00 0.00 -0.42 0.00 0.00 57.16 60.20 1kg1 n GLU 46 Cb 0.75 -4.05 0.00 0.00 -0.57 0.00 0.00 31.44 27.57 1kg1 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kg1 n GLY 47 N -2.83 1.90 0.00 0.62 0.00 -1.26 -4.22 105.19 99.40 1kg1 n GLY 47 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.41 0.00 -0.02 0.00 -1.26 -5.18 105.19 99.14 1kg1 n GLY 48 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1kg1 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kg1 n ASN 49 N 0.00 0.19 -3.64 1.61 5.15 -1.26 -5.05 115.26 112.26 1kg1 n ASN 49 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1kg1 n ASN 49 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1kg1 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kg1 n GLY 50 N 1.10 -2.94 3.96 8.20 0.00 -1.26 -4.58 105.19 109.67 1kg1 n GLY 50 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1kg1 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kg1 s PHE 51 N 0.00 3.31 -0.42 1.61 5.36 -1.26 -3.19 117.98 123.38 1kg1 s PHE 51 Ca 0.00 0.14 0.08 0.00 -0.96 0.00 0.00 56.93 56.18 1kg1 s PHE 51 Cb 0.00 -2.03 0.25 0.00 -0.34 0.00 0.00 43.02 40.90 1kg1 s PHE 51 CO 0.00 -0.05 0.54 0.94 -1.46 0.00 0.00 175.22 175.19 1kg1 n GLN 52 N -1.82 0.92 -1.57 10.12 0.00 0.15 -4.56 117.38 120.63 1kg1 n GLN 52 Ca -0.02 -3.40 -0.48 0.00 -0.00 0.00 0.00 57.00 53.10 1kg1 n GLN 52 Cb 0.57 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 29.41 1kg1 n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kg1 n PRO 54 N 1.47 -1.89 -2.01 0.00 -0.04 -1.26 -4.86 135.00 126.40 1kg1 n PRO 54 Ca 0.14 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.62 1kg1 n PRO 54 Cb 0.26 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1kg1 n PRO 54 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1kg1 s THR 55 N -3.01 3.31 0.00 0.52 -1.32 -1.26 -1.55 115.64 112.33 1kg1 s THR 55 Ca 0.60 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 1kg1 s THR 55 Cb -0.04 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1kg1 s THR 55 CO 0.44 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 1kg1 n GLY 56 N 3.95 0.22 3.55 6.08 0.00 -1.26 -5.06 105.19 112.67 1kg1 n GLY 56 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.04 2.65 -0.16 1.61 1.51 -0.59 -4.66 117.35 115.67 1kg1 s TYR 57 Ca 0.00 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1kg1 s TYR 57 Cb 0.00 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1kg1 s TYR 57 CO 0.00 0.43 0.08 1.03 -1.11 0.00 0.00 175.55 175.98 1kg1 s ARG 58 N -2.33 0.16 0.09 -0.62 0.52 0.14 -4.56 118.95 112.35 1kg1 s ARG 58 Ca 0.21 -0.09 -0.25 0.00 -0.52 0.00 0.00 55.73 55.08 1kg1 s ARG 58 Cb -0.10 -1.74 -0.14 0.00 0.52 0.00 0.00 34.95 33.48 1kg1 s ARG 58 CO 0.13 -0.63 0.57 0.00 0.02 0.00 0.00 175.30 175.39 1kg1 n GLN 59 N 5.24 0.00 0.00 3.54 10.64 -1.26 0.36 117.38 135.90 1kg1 n GLN 59 Ca -0.07 0.00 0.16 0.00 -1.83 0.00 0.00 57.00 55.26 1kg1 n GLN 59 Cb 0.49 -0.92 0.93 0.00 -0.86 0.00 0.00 30.24 29.87 1kg1 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23