#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 3.93 0.43 -3.33 1.01 -1.26 -4.07 120.40 117.10 2kgi s VAL 2 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2kgi s VAL 2 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kgi s VAL 2 CO 0.00 0.45 0.04 0.00 0.00 0.00 0.00 175.10 175.59 2kgi n ALA 4 N -1.01 5.29 -2.61 0.00 0.00 -0.92 -4.91 120.51 116.35 2kgi n ALA 4 Ca -0.10 -4.77 -0.33 0.00 0.00 0.00 0.00 53.44 48.24 2kgi n ALA 4 Cb 0.67 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 2kgi n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kgi s ALA 5 N -3.07 3.07 0.19 0.00 0.00 -1.26 -4.88 121.76 115.81 2kgi s ALA 5 Ca 0.33 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 2kgi s ALA 5 Cb 0.08 -1.22 0.17 0.00 0.00 0.00 0.00 23.12 22.14 2kgi s ALA 5 CO 0.06 0.60 1.64 0.37 0.00 0.00 0.00 175.76 178.43 2kgi h GLN 6 N 4.79 -0.03 -0.90 0.00 4.15 -1.91 -2.51 115.11 118.71 2kgi h GLN 6 Ca -0.49 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.34 2kgi h GLN 6 Cb 1.17 0.01 -0.31 0.00 0.21 0.00 0.00 27.48 28.56 2kgi h GLN 6 CO 0.54 -0.02 0.43 0.09 -1.93 0.00 0.00 178.83 177.94 2kgi n ASN 7 N -5.39 6.23 -4.79 -0.69 3.02 -1.26 -5.01 115.26 107.37 2kgi n ASN 7 Ca 0.05 -3.76 -0.34 0.00 -0.03 0.00 0.00 54.58 50.50 2kgi n ASN 7 Cb 0.29 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 2kgi n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kgi s GLN 9 N -3.72 1.59 -0.53 0.00 -0.21 -1.26 -5.09 119.66 110.44 2kgi s GLN 9 Ca 0.67 -1.24 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 2kgi s GLN 9 Cb -0.18 -1.94 0.08 0.00 1.00 0.00 0.00 33.01 31.97 2kgi s GLN 9 CO 0.31 0.48 0.61 1.03 -2.12 0.00 0.00 175.29 175.60 2kgi s ARG 10 N -1.68 3.07 -0.07 2.91 0.52 -1.26 -4.87 118.95 117.57 2kgi s ARG 10 Ca 0.13 -1.13 -0.14 0.00 -0.52 0.00 0.00 55.73 54.07 2kgi s ARG 10 Cb -0.10 -4.16 -0.10 0.00 0.52 0.00 0.00 34.95 31.11 2kgi s ARG 10 CO 0.04 -1.29 0.56 -1.00 0.02 0.00 0.00 175.30 173.63 2kgi h PRO 11 N 9.01 -0.24 -0.79 3.54 0.13 -2.00 -3.48 132.00 138.17 2kgi h PRO 11 Ca -0.28 0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.52 2kgi h PRO 11 Cb 1.10 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 2kgi h PRO 11 CO 1.00 0.04 -0.31 0.00 -0.23 0.00 0.00 178.00 178.50 2kgi s LYS 13 N -3.38 -1.01 0.00 0.00 1.02 -1.26 -4.99 119.74 110.11 2kgi s LYS 13 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2kgi s LYS 13 Cb 0.00 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2kgi s LYS 13 CO 0.00 -3.58 0.89 -0.25 -0.92 0.00 0.00 175.35 171.48 2kgi n ASP 14 N -4.68 0.00 -4.52 2.83 8.00 -1.26 -4.47 116.55 112.45 2kgi n ASP 14 Ca 0.12 0.89 -0.38 0.00 0.71 0.00 0.00 54.79 56.13 2kgi n ASP 14 Cb 0.59 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgi s LYS 15 N -2.55 3.68 0.13 -1.24 1.02 -1.26 -5.07 119.74 114.45 2kgi s LYS 15 Ca 0.00 -0.49 0.09 0.00 0.02 0.00 0.00 55.97 55.58 2kgi s LYS 15 Cb 0.00 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2kgi s LYS 15 CO 0.00 -0.28 -0.21 0.14 -0.92 0.00 0.00 175.35 174.08 2kgi s VAL 16 N 1.70 1.85 0.16 3.17 -7.23 -1.26 -5.09 120.40 113.70 2kgi s VAL 16 Ca 0.06 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 2kgi s VAL 16 Cb -0.16 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2kgi s VAL 16 CO 0.09 -0.13 0.54 -1.81 -0.31 0.00 0.00 175.10 173.47 2kgi s ASP 17 N -2.22 6.76 0.14 4.85 1.11 -1.26 -5.10 116.67 120.95 2kgi s ASP 17 Ca 0.11 1.01 0.01 0.00 0.18 0.00 0.00 52.55 53.87 2kgi s ASP 17 Cb -0.08 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 2kgi s ASP 17 CO 0.06 0.07 -0.00 0.26 1.18 0.00 0.00 175.17 176.73 2kgi s TRP 18 N -1.54 1.05 -0.03 4.23 0.52 -1.26 -4.08 118.94 117.83 2kgi s TRP 18 Ca 0.40 -1.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.45 2kgi s TRP 18 Cb -0.14 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.58 2kgi s TRP 18 CO 0.19 -0.26 0.08 0.08 0.02 0.00 0.00 176.95 177.07 2kgi s VAL 19 N -3.73 0.01 -0.09 4.03 1.01 1.25 -4.71 120.40 118.17 2kgi s VAL 19 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2kgi s VAL 19 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 2kgi s VAL 19 CO 0.01 -0.02 -0.01 -1.58 0.00 0.00 0.00 175.10 173.49 2kgi s GLN 20 N -0.03 3.01 0.26 2.72 0.74 -1.26 -0.06 119.66 125.04 2kgi s GLN 20 Ca -0.01 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.67 2kgi s GLN 20 Cb -0.01 -2.77 -0.09 0.00 1.10 0.00 0.00 33.01 31.24 2kgi s GLN 20 CO 0.00 0.65 0.95 0.00 -0.55 0.00 0.00 175.29 176.35 2kgi n ASP 22 N 1.25 3.18 -0.91 0.00 9.92 0.84 -3.73 116.55 127.09 2kgi n ASP 22 Ca -0.01 -2.26 0.08 0.00 -0.53 0.00 0.00 54.79 52.07 2kgi n ASP 22 Cb 0.48 -0.31 0.22 0.00 -0.64 0.00 0.00 41.12 40.87 2kgi n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgi n GLY 23 N 0.26 2.88 0.00 0.44 0.00 -1.26 -4.93 105.19 102.58 2kgi n GLY 23 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.66 3.85 0.23 -0.02 0.00 -1.26 -4.81 105.19 103.84 2kgi n GLY 24 Ca 0.17 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.89 -0.71 -4.97 0.00 9.92 -1.24 -4.92 116.55 111.73 2kgi n ASP 26 Ca 0.02 0.36 -0.21 0.00 -0.53 0.00 0.00 54.79 54.42 2kgi n ASP 26 Cb 0.35 -0.81 0.02 0.00 -0.64 0.00 0.00 41.12 40.04 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgi s GLU 27 N -3.96 2.84 -0.14 -1.24 2.02 -1.26 -4.69 118.70 112.25 2kgi s GLU 27 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 2kgi s GLU 27 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2kgi s GLU 27 CO 0.00 -0.42 0.12 -1.58 0.02 0.00 0.00 175.26 173.40 2kgi s TRP 28 N -2.58 3.47 0.42 1.61 0.52 -1.26 -2.28 118.94 118.84 2kgi s TRP 28 Ca 0.52 0.40 0.04 0.00 0.02 0.00 0.00 56.10 57.08 2kgi s TRP 28 Cb -0.10 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.17 2kgi s TRP 28 CO 0.37 0.54 0.04 -0.06 0.02 0.00 0.00 176.95 177.85 2kgi s PHE 29 N -0.51 2.10 -0.12 -1.98 0.08 0.92 -2.16 117.98 116.31 2kgi s PHE 29 Ca 0.12 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 2kgi s PHE 29 Cb -0.12 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2kgi s PHE 29 CO 0.02 0.18 0.15 -1.01 -0.10 0.00 0.00 175.22 174.46 2kgi s HIS 30 N -2.97 3.59 0.21 0.36 3.76 0.61 0.01 115.29 120.86 2kgi s HIS 30 Ca 0.26 0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 55.57 2kgi s HIS 30 Cb 0.06 -1.98 0.23 0.00 1.11 0.00 0.00 32.58 32.01 2kgi s HIS 30 CO 0.13 0.70 1.62 1.96 -0.85 0.00 0.00 174.74 178.30 2kgi h GLN 31 N 5.09 -0.03 -0.02 1.40 1.08 -1.66 -1.65 115.11 119.33 2kgi h GLN 31 Ca -0.54 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.55 2kgi h GLN 31 Cb 1.22 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 2kgi h GLN 31 CO 0.59 -0.02 -0.53 -0.39 -0.95 0.00 0.00 178.83 177.54 2kgi h VAL 32 N -0.03 1.38 0.00 -0.54 -1.51 -1.91 0.44 116.25 114.08 2kgi h VAL 32 Ca 0.30 -1.82 -0.08 0.00 -1.23 0.00 0.00 66.70 63.87 2kgi h VAL 32 Cb 0.49 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 2kgi h VAL 32 CO -0.68 0.52 -0.76 0.00 -1.23 0.00 0.00 177.57 175.43 2kgi n VAL 34 N -3.00 1.21 -3.40 0.00 3.14 -0.92 -4.57 118.33 110.78 2kgi n VAL 34 Ca -0.01 -1.11 -0.18 0.00 -2.96 0.00 0.00 64.34 60.08 2kgi n VAL 34 Cb 0.69 0.39 0.08 0.00 -1.06 0.00 0.00 33.84 33.94 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 0.64 -0.36 3.85 7.55 0.00 -0.96 -4.92 105.19 110.99 2kgi n GLY 35 Ca 0.16 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.33 4.91 -0.04 1.61 1.01 0.15 -5.02 120.40 119.68 2kgi s VAL 36 Ca 0.16 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2kgi s VAL 36 Cb -0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2kgi s VAL 36 CO 0.69 0.08 -0.04 -0.55 0.00 0.00 0.00 175.10 175.28 2kgi s SER 37 N -2.60 4.86 0.58 3.32 0.15 -1.26 -4.35 113.70 114.40 2kgi s SER 37 Ca 0.32 -0.01 0.29 0.00 0.70 0.00 0.00 55.95 57.26 2kgi s SER 37 Cb -0.12 -1.25 1.44 0.00 -1.71 0.00 0.00 66.02 64.38 2kgi s SER 37 CO 0.25 0.33 1.85 -0.65 1.20 0.00 0.00 173.24 176.22 2kgi h PRO 38 N 4.90 0.00 -0.31 5.44 0.11 -1.99 0.32 132.00 140.46 2kgi h PRO 38 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kgi h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kgi h PRO 38 CO 0.54 0.00 0.18 1.49 -0.21 0.00 0.00 178.00 180.00 2kgi h GLU 39 N 0.00 0.43 -0.01 1.05 4.81 -1.99 -2.32 114.58 116.56 2kgi h GLU 39 Ca 0.28 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2kgi h GLU 39 Cb 1.42 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2kgi h GLU 39 CO -0.00 0.35 -0.02 0.52 -0.73 0.00 0.00 179.01 179.12 2kgi h MET 40 N 0.39 0.03 0.00 1.92 2.86 -0.76 -1.98 114.93 117.39 2kgi h MET 40 Ca 0.11 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2kgi h MET 40 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kgi h MET 40 CO -0.02 0.62 -0.43 0.00 1.06 0.00 0.00 176.91 178.14 2kgi h ALA 41 N 0.41 1.05 0.00 6.32 0.00 -1.55 -1.65 119.26 123.84 2kgi h ALA 41 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2kgi h ALA 41 Cb 0.62 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kgi h ALA 41 CO 0.00 0.54 -1.16 0.93 0.00 0.00 0.00 179.25 179.56 2kgi h GLU 42 N 0.00 0.00 0.00 0.00 5.08 -1.46 -3.39 114.58 114.81 2kgi h GLU 42 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kgi h GLU 42 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2kgi h GLU 42 CO 0.06 0.41 -0.00 -0.97 -1.00 0.00 0.00 179.01 177.50 2kgi h ASN 43 N 0.00 -0.00 -5.64 1.42 -1.24 -1.06 -3.49 115.58 105.56 2kgi h ASN 43 Ca -0.12 -0.92 -0.31 0.00 0.71 0.00 0.00 56.30 55.66 2kgi h ASN 43 Cb 1.57 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.51 2kgi h ASN 43 CO 0.06 0.94 -0.40 -1.61 -1.29 0.00 0.00 177.43 175.12 2kgi s GLU 44 N -2.41 1.63 0.13 6.67 2.02 -0.64 -5.09 118.70 121.00 2kgi s GLU 44 Ca -0.18 -1.76 -0.35 0.00 0.02 0.00 0.00 54.97 52.70 2kgi s GLU 44 Cb -0.02 0.36 -0.16 0.00 0.10 0.00 0.00 34.13 34.41 2kgi s GLU 44 CO 0.67 -0.62 1.39 -0.25 0.02 0.00 0.00 175.26 176.48 2kgi n ASP 45 N -1.04 2.10 -4.36 -0.19 9.92 -1.26 -4.41 116.55 117.31 2kgi n ASP 45 Ca 0.03 1.11 -0.37 0.00 -0.53 0.00 0.00 54.79 55.04 2kgi n ASP 45 Cb 0.63 -1.28 -0.13 0.00 -0.64 0.00 0.00 41.12 39.71 2kgi n ASP 45 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2kgi s TYR 46 N 0.50 3.11 -0.31 1.24 5.04 -1.26 -4.92 117.35 120.76 2kgi s TYR 46 Ca 0.81 -0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 54.56 2kgi s TYR 46 Cb -0.85 -2.23 0.06 0.00 0.35 0.00 0.00 41.96 39.29 2kgi s TYR 46 CO 0.45 -0.53 0.00 0.42 -1.34 0.00 0.00 175.55 174.55 2kgi s ILE 47 N 1.52 2.81 0.96 3.14 1.01 -1.26 -0.11 121.20 129.26 2kgi s ILE 47 Ca 0.04 -1.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.00 2kgi s ILE 47 Cb -0.16 -2.69 0.17 0.00 0.01 0.00 0.00 42.46 39.79 2kgi s ILE 47 CO 0.02 -0.19 1.09 0.00 0.00 0.00 0.00 174.94 175.86 2kgi h ILE 49 N -1.90 0.00 0.00 0.00 -0.00 -1.99 0.44 117.51 114.07 2kgi h ILE 49 Ca -0.50 -0.26 -0.13 0.00 -0.00 0.00 0.00 64.86 63.97 2kgi h ILE 49 Cb 1.29 1.09 -0.02 0.00 -0.00 0.00 0.00 36.82 39.18 2kgi h ILE 49 CO 0.49 0.00 -0.64 0.78 -0.00 0.00 0.00 178.15 178.78 2kgi h ASN 50 N 0.00 0.00 -0.01 2.16 2.35 -2.01 -3.09 115.58 114.98 2kgi h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kgi h ASN 50 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2kgi h ASN 50 CO 0.00 0.64 -0.63 0.00 -1.65 0.00 0.00 177.43 175.79