#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgi s VAL 2 N 0.00 3.99 0.49 0.44 1.01 -1.26 -4.59 120.40 120.47 2kgi s VAL 2 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2kgi s VAL 2 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2kgi s VAL 2 CO 0.00 0.52 0.09 0.00 0.00 0.00 0.00 175.10 175.71 2kgi s ALA 4 N -2.80 3.52 -0.29 0.00 0.00 -1.13 -4.96 121.76 116.10 2kgi s ALA 4 Ca 0.19 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 2kgi s ALA 4 Cb 0.03 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.44 2kgi s ALA 4 CO 0.11 -0.96 1.05 0.00 0.00 0.00 0.00 175.76 175.96 2kgi s ALA 5 N 2.15 -2.10 0.20 0.00 0.00 -1.26 -4.37 121.76 116.38 2kgi s ALA 5 Ca 0.15 1.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.90 2kgi s ALA 5 Cb -0.16 -1.56 0.17 0.00 0.00 0.00 0.00 23.12 21.57 2kgi s ALA 5 CO 0.11 -0.26 1.58 0.37 0.00 0.00 0.00 175.76 177.56 2kgi h GLN 6 N 4.75 -0.10 -3.07 0.00 4.15 -1.95 -3.23 115.11 115.66 2kgi h GLN 6 Ca -0.28 0.01 -0.62 0.00 0.77 0.00 0.00 58.65 58.53 2kgi h GLN 6 Cb 1.18 0.02 -0.41 0.00 0.21 0.00 0.00 27.48 28.48 2kgi h GLN 6 CO 0.14 -0.07 -0.63 1.21 -1.93 0.00 0.00 178.83 177.55 2kgi s ASN 7 N -5.22 4.33 -0.20 -0.69 3.84 -1.26 -5.07 114.94 110.67 2kgi s ASN 7 Ca -0.14 -3.52 -0.12 0.00 0.21 0.00 0.00 52.86 49.28 2kgi s ASN 7 Cb 0.18 -1.48 -0.05 0.00 -0.55 0.00 0.00 41.25 39.34 2kgi s ASN 7 CO 0.70 -0.13 0.21 0.00 -2.79 0.00 0.00 177.10 175.09 2kgi s GLN 9 N 0.68 3.55 -0.44 0.00 -0.21 -1.26 -5.07 119.66 116.91 2kgi s GLN 9 Ca 0.11 -0.14 -0.18 0.00 0.02 0.00 0.00 55.36 55.17 2kgi s GLN 9 Cb -0.13 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.86 2kgi s GLN 9 CO 0.02 0.64 0.51 1.03 -2.12 0.00 0.00 175.29 175.37 2kgi s ARG 10 N -1.91 3.13 -0.06 2.91 0.52 -1.26 -4.95 118.95 117.32 2kgi s ARG 10 Ca 0.29 -0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2kgi s ARG 10 Cb -0.13 -4.00 -0.03 0.00 0.52 0.00 0.00 34.95 31.31 2kgi s ARG 10 CO 0.18 -0.96 0.27 -1.00 0.02 0.00 0.00 175.30 173.81 2kgi h PRO 11 N 8.81 -0.21 -5.24 3.54 0.13 -1.98 -3.50 132.00 133.54 2kgi h PRO 11 Ca -0.26 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2kgi h PRO 11 Cb 1.10 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2kgi h PRO 11 CO 0.85 -0.14 -1.29 0.00 -0.23 0.00 0.00 178.00 177.18 2kgi n LYS 13 N 1.84 0.00 0.07 0.00 5.02 -1.26 -5.08 118.16 118.76 2kgi n LYS 13 Ca -0.33 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 55.93 2kgi n LYS 13 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 2kgi n LYS 13 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2kgi h ASP 14 N 0.00 -0.16 -4.04 4.39 3.32 -2.08 -3.45 116.42 114.42 2kgi h ASP 14 Ca 0.00 0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2kgi h ASP 14 Cb 0.00 0.04 -0.31 0.00 0.22 0.00 0.00 39.33 39.28 2kgi h ASP 14 CO 0.00 -0.11 -0.85 -0.54 -1.72 0.00 0.00 179.24 176.02 2kgi s LYS 15 N -3.32 1.89 0.02 3.56 1.02 -1.26 -5.13 119.74 116.51 2kgi s LYS 15 Ca -0.03 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 2kgi s LYS 15 Cb 0.00 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.63 2kgi s LYS 15 CO 0.08 0.31 0.05 0.14 -0.92 0.00 0.00 175.35 175.01 2kgi s VAL 16 N -0.12 0.10 0.07 3.17 -7.23 -1.26 -5.08 120.40 110.05 2kgi s VAL 16 Ca -0.01 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 2kgi s VAL 16 Cb -0.11 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 2kgi s VAL 16 CO 0.02 -0.47 0.30 -1.81 -0.31 0.00 0.00 175.10 172.82 2kgi s ASP 17 N -1.52 6.48 0.13 4.85 1.01 -1.26 -5.11 116.67 121.25 2kgi s ASP 17 Ca -0.14 0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.68 2kgi s ASP 17 Cb -0.08 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2kgi s ASP 17 CO -0.00 0.17 -0.10 0.26 0.21 0.00 0.00 175.17 175.70 2kgi s TRP 18 N -1.46 1.20 0.01 4.23 0.52 -1.25 -3.74 118.94 118.45 2kgi s TRP 18 Ca 0.34 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.71 2kgi s TRP 18 Cb -0.13 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 2kgi s TRP 18 CO 0.21 0.05 -0.02 0.08 0.02 0.00 0.00 176.95 177.29 2kgi s VAL 19 N -3.15 0.10 -0.10 4.03 1.01 1.27 -4.84 120.40 118.73 2kgi s VAL 19 Ca 0.14 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2kgi s VAL 19 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 2kgi s VAL 19 CO -0.00 -0.28 -0.12 -1.58 0.00 0.00 0.00 175.10 173.12 2kgi s GLN 20 N -0.85 3.02 0.33 2.72 0.74 -1.26 -0.60 119.66 123.75 2kgi s GLN 20 Ca -0.09 -0.66 -0.27 0.00 0.05 0.00 0.00 55.36 54.39 2kgi s GLN 20 Cb -0.06 -2.55 -0.09 0.00 1.10 0.00 0.00 33.01 31.41 2kgi s GLN 20 CO -0.01 0.41 1.06 0.00 -0.55 0.00 0.00 175.29 176.20 2kgi n ASP 22 N 0.67 3.60 0.00 0.00 8.00 0.78 -4.11 116.55 125.49 2kgi n ASP 22 Ca 0.01 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.64 2kgi n ASP 22 Cb 0.47 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2kgi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgi n GLY 23 N -0.26 1.92 0.52 0.44 0.00 -1.26 -4.97 105.19 101.59 2kgi n GLY 23 Ca 0.31 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.58 2kgi n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgi n GLY 24 N 5.00 0.13 0.03 -0.02 0.00 -1.26 -4.17 105.19 104.90 2kgi n GLY 24 Ca 0.00 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.53 2kgi n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgi n ASP 26 N -1.85 -1.70 -4.88 0.00 8.00 -1.26 -4.94 116.55 109.92 2kgi n ASP 26 Ca 0.04 -1.22 -0.23 0.00 0.71 0.00 0.00 54.79 54.09 2kgi n ASP 26 Cb 0.40 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.12 39.69 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgi s GLU 27 N -7.21 3.12 -0.21 -1.24 2.02 -1.26 -4.77 118.70 109.15 2kgi s GLU 27 Ca 0.73 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 2kgi s GLU 27 Cb -0.42 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2kgi s GLU 27 CO 1.01 0.43 0.28 -1.58 0.02 0.00 0.00 175.26 175.42 2kgi s TRP 28 N -2.00 3.37 0.42 1.61 0.52 -1.25 -2.41 118.94 119.19 2kgi s TRP 28 Ca 0.33 0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.96 2kgi s TRP 28 Cb -0.09 -2.38 -0.06 0.00 -1.15 0.00 0.00 33.47 29.79 2kgi s TRP 28 CO 0.26 0.08 0.02 -0.06 0.02 0.00 0.00 176.95 177.27 2kgi s PHE 29 N 1.02 2.29 0.09 -1.98 0.08 0.23 -2.84 117.98 116.87 2kgi s PHE 29 Ca 0.14 -0.79 -0.10 0.00 0.12 0.00 0.00 56.93 56.29 2kgi s PHE 29 Cb -0.14 -1.65 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2kgi s PHE 29 CO 0.05 0.31 0.43 -1.01 -0.10 0.00 0.00 175.22 174.90 2kgi s HIS 30 N -2.85 3.58 0.22 0.36 3.76 0.20 -0.63 115.29 119.93 2kgi s HIS 30 Ca 0.29 0.83 -0.09 0.00 -0.15 0.00 0.00 55.06 55.95 2kgi s HIS 30 Cb 0.08 -2.19 0.21 0.00 1.11 0.00 0.00 32.58 31.79 2kgi s HIS 30 CO 0.15 0.50 1.87 1.96 -0.85 0.00 0.00 174.74 178.37 2kgi h GLN 31 N 3.64 0.98 -0.02 1.40 4.20 -1.61 -2.33 115.11 121.36 2kgi h GLN 31 Ca -0.49 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.05 2kgi h GLN 31 Cb 1.19 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2kgi h GLN 31 CO 0.66 0.65 -0.51 -0.39 -0.67 0.00 0.00 178.83 178.57 2kgi h VAL 32 N 1.01 1.36 0.00 -0.54 -1.51 -1.91 0.46 116.25 115.12 2kgi h VAL 32 Ca 0.31 -1.76 -0.13 0.00 -1.23 0.00 0.00 66.70 63.89 2kgi h VAL 32 Cb -0.03 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 2kgi h VAL 32 CO -0.10 0.51 -0.91 0.00 -1.23 0.00 0.00 177.57 175.84 2kgi n VAL 34 N -3.06 0.91 -3.02 0.00 3.14 -0.98 -4.52 118.33 110.79 2kgi n VAL 34 Ca -0.03 -0.95 -0.12 0.00 -2.96 0.00 0.00 64.34 60.27 2kgi n VAL 34 Cb 0.77 0.58 0.05 0.00 -1.06 0.00 0.00 33.84 34.18 2kgi n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgi n GLY 35 N 0.97 -0.02 3.87 7.55 0.00 -0.97 -4.93 105.19 111.65 2kgi n GLY 35 Ca 0.16 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2kgi n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgi s VAL 36 N -3.21 5.31 -0.03 1.61 1.01 0.16 -5.03 120.40 120.21 2kgi s VAL 36 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2kgi s VAL 36 Cb -0.07 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2kgi s VAL 36 CO 0.45 0.47 0.00 -0.44 0.00 0.00 0.00 175.10 175.58 2kgi s SER 37 N -1.47 5.18 0.22 3.32 0.01 -1.26 -4.38 113.70 115.32 2kgi s SER 37 Ca 0.21 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.37 2kgi s SER 37 Cb -0.12 -1.40 0.25 0.00 0.21 0.00 0.00 66.02 64.96 2kgi s SER 37 CO 0.11 0.32 1.59 1.55 0.41 0.00 0.00 173.24 177.22 2kgi h PRO 38 N 4.65 -0.05 0.00 12.44 0.13 -1.99 0.56 132.00 147.74 2kgi h PRO 38 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2kgi h PRO 38 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kgi h PRO 38 CO 0.56 -0.03 -0.19 0.93 -0.23 0.00 0.00 178.00 179.04 2kgi h GLU 39 N -0.05 0.00 0.01 0.86 5.08 -1.98 -1.44 114.58 117.06 2kgi h GLU 39 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kgi h GLU 39 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2kgi h GLU 39 CO -0.76 0.19 -0.00 0.52 -1.00 0.00 0.00 179.01 177.95 2kgi h MET 40 N 0.00 -0.01 0.00 2.33 2.86 -1.26 -2.20 114.93 116.65 2kgi h MET 40 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2kgi h MET 40 Cb 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2kgi h MET 40 CO 0.02 0.53 -0.78 0.00 1.06 0.00 0.00 176.91 177.74 2kgi h ALA 41 N 0.44 0.61 0.00 6.32 0.00 -1.32 -1.44 119.26 123.87 2kgi h ALA 41 Ca -0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 54.91 53.95 2kgi h ALA 41 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2kgi h ALA 41 CO 0.00 0.97 -1.33 0.93 0.00 0.00 0.00 179.25 179.83 2kgi h GLU 42 N 0.00 0.01 0.04 0.00 5.08 -1.35 -3.38 114.58 114.97 2kgi h GLU 42 Ca -0.01 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 2kgi h GLU 42 Cb 1.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.67 2kgi h GLU 42 CO 0.10 0.78 -2.06 0.09 -1.00 0.00 0.00 179.01 176.92 2kgi n ASN 43 N -3.22 1.26 -4.34 1.42 4.13 -0.83 -5.01 115.26 108.68 2kgi n ASN 43 Ca -0.08 0.18 -0.17 0.00 1.68 0.00 0.00 54.58 56.19 2kgi n ASN 43 Cb 0.99 -0.15 -0.10 0.00 -1.54 0.00 0.00 39.78 38.98 2kgi n ASN 43 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2kgi s GLU 44 N -2.55 1.37 0.13 3.52 2.02 -0.54 -5.07 118.70 117.57 2kgi s GLU 44 Ca -0.16 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 52.82 2kgi s GLU 44 Cb 0.07 -0.58 -0.11 0.00 0.10 0.00 0.00 34.13 33.62 2kgi s GLU 44 CO 0.77 -0.13 1.83 -0.51 0.02 0.00 0.00 175.26 177.24 2kgi s ASP 45 N -3.32 6.42 -0.24 -0.19 1.11 -1.26 -4.39 116.67 114.80 2kgi s ASP 45 Ca 0.30 2.77 -0.07 0.00 0.18 0.00 0.00 52.55 55.73 2kgi s ASP 45 Cb 0.06 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 2kgi s ASP 45 CO 0.10 -1.01 0.07 -0.47 1.18 0.00 0.00 175.17 175.04 2kgi s TYR 46 N 2.63 3.11 -0.28 4.23 5.04 -1.26 -4.96 117.35 125.86 2kgi s TYR 46 Ca 0.81 -0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 55.03 2kgi s TYR 46 Cb -0.46 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.62 2kgi s TYR 46 CO 0.36 -0.26 0.11 0.42 -1.34 0.00 0.00 175.55 174.84 2kgi s ILE 47 N 1.39 4.43 0.83 3.14 -1.09 -1.26 -0.15 121.20 128.49 2kgi s ILE 47 Ca 0.05 -0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 2kgi s ILE 47 Cb -0.15 -3.19 0.09 0.00 -1.58 0.00 0.00 42.46 37.64 2kgi s ILE 47 CO 0.04 0.18 1.15 0.00 -1.23 0.00 0.00 174.94 175.08 2kgi h ILE 49 N -1.16 0.83 -0.01 0.00 -0.00 -1.98 -1.40 117.51 113.79 2kgi h ILE 49 Ca -0.47 -0.90 -0.16 0.00 -0.00 0.00 0.00 64.86 63.32 2kgi h ILE 49 Cb 1.32 1.54 -0.02 0.00 -0.00 0.00 0.00 36.82 39.66 2kgi h ILE 49 CO 0.64 0.22 -0.74 0.78 -0.00 0.00 0.00 178.15 179.05 2kgi h ASN 50 N 0.00 0.07 0.44 2.16 4.21 -2.02 -2.62 115.58 117.82 2kgi h ASN 50 Ca -0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2kgi h ASN 50 Cb 0.52 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 2kgi h ASN 50 CO 0.03 0.79 -0.28 0.00 -1.29 0.00 0.00 177.43 176.67