#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 3.88 0.50 0.44 1.01 -1.26 -4.57 120.40 120.40 2kgi s VAL 2 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2kgi s VAL 2 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2kgi s VAL 2 CO 0.00 0.47 0.36 0.00 0.00 0.00 0.00 175.10 175.93 2kgi n ALA 4 N -1.65 4.98 -2.72 0.00 0.00 -0.42 -4.93 120.51 115.77 2kgi n ALA 4 Ca -0.01 -4.80 -0.35 0.00 0.00 0.00 0.00 53.44 48.28 2kgi n ALA 4 Cb 0.64 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.80 3.36 0.23 0.00 0.00 -1.26 -4.88 121.76 116.41 2kgi s ALA 5 Ca 0.33 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2kgi s ALA 5 Cb 0.08 -1.56 0.29 0.00 0.00 0.00 0.00 23.12 21.93 2kgi s ALA 5 CO 0.08 0.57 1.59 0.37 0.00 0.00 0.00 175.76 178.36 2kgi h GLN 6 N 5.24 -0.03 -2.73 0.00 4.15 -1.94 -3.07 115.11 116.74 2kgi h GLN 6 Ca -0.50 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.31 2kgi h GLN 6 Cb 1.20 0.01 -0.41 0.00 0.21 0.00 0.00 27.48 28.48 2kgi h GLN 6 CO 0.56 -0.02 -0.65 -1.71 -1.93 0.00 0.00 178.83 175.07 2kgi n ASN 7 N -5.50 2.62 -4.93 -0.69 2.85 -1.26 -5.08 115.26 103.26 2kgi n ASN 7 Ca 0.10 -3.14 -0.27 0.00 -0.11 0.00 0.00 54.58 51.16 2kgi n ASN 7 Cb 0.40 -0.71 -0.03 0.00 1.24 0.00 0.00 39.78 40.68 2kgi n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgi s GLN 9 N -3.22 2.67 -0.49 0.00 -0.21 -1.26 -5.10 119.66 112.05 2kgi s GLN 9 Ca 0.37 -0.60 -0.24 0.00 0.02 0.00 0.00 55.36 54.92 2kgi s GLN 9 Cb -0.11 -2.54 0.03 0.00 1.00 0.00 0.00 33.01 31.40 2kgi s GLN 9 CO 0.29 0.65 0.86 1.03 -2.12 0.00 0.00 175.29 176.00 2kgi s ARG 10 N -0.88 3.39 -0.01 2.91 0.52 -1.26 -4.96 118.95 118.66 2kgi s ARG 10 Ca 0.13 -0.16 -0.03 0.00 -0.52 0.00 0.00 55.73 55.15 2kgi s ARG 10 Cb -0.11 -3.99 -0.02 0.00 0.52 0.00 0.00 34.95 31.35 2kgi s ARG 10 CO 0.02 -1.29 0.46 -1.00 0.02 0.00 0.00 175.30 173.51 2kgi h PRO 11 N 9.13 -0.10 -4.77 3.54 0.13 -2.00 -3.50 132.00 134.43 2kgi h PRO 11 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kgi h PRO 11 Cb 1.08 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2kgi h PRO 11 CO 1.02 -0.07 -1.05 0.00 -0.23 0.00 0.00 178.00 177.68 2kgi n LYS 13 N 1.85 0.80 -0.06 0.00 4.81 -1.26 -5.07 118.16 119.23 2kgi n LYS 13 Ca -0.07 -1.66 -0.12 0.00 -0.87 0.00 0.00 58.31 55.58 2kgi n LYS 13 Cb 0.11 2.15 -0.08 0.00 0.02 0.00 0.00 35.03 37.22 2kgi n LYS 13 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kgi h ASP 14 N 1.78 -1.53 -4.00 3.14 3.58 -2.08 -3.41 116.42 113.90 2kgi h ASP 14 Ca -0.27 0.19 -0.43 0.00 0.42 0.00 0.00 57.03 56.94 2kgi h ASP 14 Cb 1.10 0.61 -0.30 0.00 1.72 0.00 0.00 39.33 42.46 2kgi h ASP 14 CO 0.36 -0.38 -0.79 -0.54 -2.88 0.00 0.00 179.24 175.01 2kgi s LYS 15 N -5.27 0.93 0.05 0.28 1.02 -1.26 -5.15 119.74 110.34 2kgi s LYS 15 Ca -0.13 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.54 2kgi s LYS 15 Cb 0.07 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 2kgi s LYS 15 CO 0.52 0.20 -0.13 0.14 -0.92 0.00 0.00 175.35 175.16 2kgi s VAL 16 N -0.10 0.99 0.08 3.17 -7.23 -1.26 -5.06 120.40 110.99 2kgi s VAL 16 Ca 0.02 -1.07 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2kgi s VAL 16 Cb -0.06 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2kgi s VAL 16 CO -0.00 -0.12 0.24 -1.81 -0.31 0.00 0.00 175.10 173.10 2kgi s ASP 17 N -1.34 6.37 0.16 4.85 1.01 -1.26 -5.11 116.67 121.35 2kgi s ASP 17 Ca -0.01 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.56 2kgi s ASP 17 Cb -0.09 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 2kgi s ASP 17 CO 0.01 0.14 0.02 0.26 0.21 0.00 0.00 175.17 175.81 2kgi s TRP 18 N -1.55 1.10 -0.01 4.23 0.52 -1.25 -4.19 118.94 117.78 2kgi s TRP 18 Ca 0.36 -1.08 0.01 0.00 0.02 0.00 0.00 56.10 55.41 2kgi s TRP 18 Cb -0.13 -0.63 0.01 0.00 -1.15 0.00 0.00 33.47 31.57 2kgi s TRP 18 CO 0.28 -0.30 -0.04 0.08 0.02 0.00 0.00 176.95 176.99 2kgi s VAL 19 N -3.77 0.34 0.01 4.03 1.01 1.91 -4.79 120.40 119.14 2kgi s VAL 19 Ca 0.23 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 2kgi s VAL 19 Cb 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 2kgi s VAL 19 CO 0.03 0.12 0.44 -1.58 0.00 0.00 0.00 175.10 174.12 2kgi s GLN 20 N 0.23 3.99 -0.07 2.72 -0.44 -1.26 -0.87 119.66 123.96 2kgi s GLN 20 Ca -0.02 0.48 -0.27 0.00 -2.50 0.00 0.00 55.36 53.05 2kgi s GLN 20 Cb -0.06 -3.23 -0.03 0.00 -1.64 0.00 0.00 33.01 28.06 2kgi s GLN 20 CO -0.00 0.67 0.88 0.00 0.50 0.00 0.00 175.29 177.34 2kgi n ASP 22 N 4.30 3.15 0.00 0.00 8.00 0.13 -4.28 116.55 127.85 2kgi n ASP 22 Ca 0.04 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 53.03 2kgi n ASP 22 Cb 0.50 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.07 2.41 0.79 0.44 0.00 -1.26 -4.94 105.19 102.71 2kgi n GLY 23 Ca 0.17 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 0.71 0.18 -0.02 0.00 -1.26 -4.28 105.19 105.53 2kgi n GLY 24 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.20 -3.25 -4.72 0.00 9.92 -1.26 -4.95 116.55 109.08 2kgi n ASP 26 Ca 0.02 -0.32 -0.24 0.00 -0.53 0.00 0.00 54.79 53.71 2kgi n ASP 26 Cb 0.60 -2.73 -0.06 0.00 -0.64 0.00 0.00 41.12 38.29 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 -5.94 2.59 -0.03 -1.24 2.02 -1.26 -4.85 118.70 109.99 2kgi s GLU 27 Ca 0.36 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 2kgi s GLU 27 Cb -0.20 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 2kgi s GLU 27 CO 0.45 0.42 0.32 -1.58 0.02 0.00 0.00 175.26 174.89 2kgi s TRP 28 N -1.98 3.67 0.36 1.61 0.52 -1.26 -2.36 118.94 119.50 2kgi s TRP 28 Ca 0.30 0.81 0.03 0.00 0.02 0.00 0.00 56.10 57.27 2kgi s TRP 28 Cb -0.08 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 2kgi s TRP 28 CO 0.21 0.67 0.09 -0.06 0.02 0.00 0.00 176.95 177.88 2kgi s PHE 29 N -1.10 1.85 -0.11 -1.98 0.08 -0.05 -1.30 117.98 115.37 2kgi s PHE 29 Ca 0.22 -1.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 2kgi s PHE 29 Cb -0.15 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2kgi s PHE 29 CO 0.11 -0.14 0.11 -1.01 -0.10 0.00 0.00 175.22 174.19 2kgi s HIS 30 N -3.29 3.51 0.25 0.36 3.76 0.29 -0.22 115.29 119.95 2kgi s HIS 30 Ca 0.31 0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 55.61 2kgi s HIS 30 Cb 0.06 -1.91 0.45 0.00 1.11 0.00 0.00 32.58 32.29 2kgi s HIS 30 CO 0.15 0.68 1.63 1.96 -0.85 0.00 0.00 174.74 178.31 2kgi h GLN 31 N 5.04 0.10 -0.11 1.40 1.08 -1.70 -1.50 115.11 119.41 2kgi h GLN 31 Ca -0.54 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 56.51 2kgi h GLN 31 Cb 1.22 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2kgi h GLN 31 CO 0.57 0.06 -0.56 -0.39 -0.95 0.00 0.00 178.83 177.57 2kgi h VAL 32 N 0.10 1.36 0.00 -0.54 -1.51 -1.92 0.43 116.25 114.17 2kgi h VAL 32 Ca 0.42 -1.85 -0.21 0.00 -1.23 0.00 0.00 66.70 63.83 2kgi h VAL 32 Cb 0.75 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 2kgi h VAL 32 CO -0.68 0.56 -1.15 0.00 -1.23 0.00 0.00 177.57 175.07 2kgi n VAL 34 N -3.18 1.45 -3.52 0.00 3.14 -0.71 -4.89 118.33 110.62 2kgi n VAL 34 Ca -0.05 -1.12 -0.19 0.00 -2.96 0.00 0.00 64.34 60.02 2kgi n VAL 34 Cb 0.92 0.30 0.07 0.00 -1.06 0.00 0.00 33.84 34.07 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 1.32 -0.37 3.93 7.55 0.00 -1.01 -4.94 105.19 111.66 2kgi n GLY 35 Ca 0.25 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.42 5.31 -0.06 1.61 1.01 0.15 -5.03 120.40 119.97 2kgi s VAL 36 Ca 0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2kgi s VAL 36 Cb -0.04 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2kgi s VAL 36 CO 0.75 0.00 -0.01 -0.44 0.00 0.00 0.00 175.10 175.40 2kgi s SER 37 N -2.83 5.08 0.34 3.32 0.01 -1.26 -4.52 113.70 113.84 2kgi s SER 37 Ca 0.36 0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.82 2kgi s SER 37 Cb -0.12 -1.37 1.00 0.00 0.21 0.00 0.00 66.02 65.74 2kgi s SER 37 CO 0.28 0.35 1.70 -0.65 0.41 0.00 0.00 173.24 175.33 2kgi h PRO 38 N 4.94 0.44 -0.60 12.44 0.11 -1.99 0.14 132.00 147.48 2kgi h PRO 38 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2kgi h PRO 38 Cb 1.18 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2kgi h PRO 38 CO 0.55 0.29 0.34 0.93 -0.21 0.00 0.00 178.00 179.89 2kgi h GLU 39 N 0.45 0.82 0.01 1.05 5.08 -1.99 -2.87 114.58 117.13 2kgi h GLU 39 Ca 0.68 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2kgi h GLU 39 Cb 1.47 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kgi h GLU 39 CO -0.51 0.62 -0.00 0.52 -1.00 0.00 0.00 179.01 178.63 2kgi h MET 40 N 0.81 -0.01 -0.20 2.33 2.86 -1.10 -2.26 114.93 117.36 2kgi h MET 40 Ca 0.21 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 2kgi h MET 40 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2kgi h MET 40 CO -0.04 0.57 -0.36 0.00 1.06 0.00 0.00 176.91 178.15 2kgi h ALA 41 N 0.37 1.02 0.00 6.32 0.00 -1.53 0.04 119.26 125.48 2kgi h ALA 41 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2kgi h ALA 41 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kgi h ALA 41 CO 0.00 0.60 -0.70 0.93 0.00 0.00 0.00 179.25 180.08 2kgi h GLU 42 N 0.36 0.00 0.02 0.00 5.08 -1.57 -3.37 114.58 115.10 2kgi h GLU 42 Ca 0.04 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.05 2kgi h GLU 42 Cb 0.80 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 2kgi h GLU 42 CO 0.06 0.04 -2.15 0.09 -1.00 0.00 0.00 179.01 176.06 2kgi n ASN 43 N -2.85 1.02 -4.20 1.42 3.02 -0.85 -5.02 115.26 107.81 2kgi n ASN 43 Ca 0.01 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.57 2kgi n ASN 43 Cb 0.57 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.73 2kgi n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgi s GLU 44 N -2.54 0.96 0.27 3.52 2.02 -0.01 -5.08 118.70 117.84 2kgi s GLU 44 Ca -0.16 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.09 2kgi s GLU 44 Cb 0.07 -0.15 -0.12 0.00 0.10 0.00 0.00 34.13 34.03 2kgi s GLU 44 CO 0.77 -0.11 1.58 -0.25 0.02 0.00 0.00 175.26 177.28 2kgi n ASP 45 N -0.13 3.65 -4.46 -0.19 9.92 -1.26 -4.37 116.55 119.70 2kgi n ASP 45 Ca -0.09 1.13 -0.33 0.00 -0.53 0.00 0.00 54.79 54.97 2kgi n ASP 45 Cb 0.62 -1.55 -0.13 0.00 -0.64 0.00 0.00 41.12 39.42 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 0.19 2.76 -0.09 1.24 5.04 -1.26 -4.96 117.35 120.26 2kgi s TYR 46 Ca 0.67 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 2kgi s TYR 46 Cb -0.53 -1.69 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2kgi s TYR 46 CO 0.46 0.10 -0.21 0.42 -1.34 0.00 0.00 175.55 174.98 2kgi s ILE 47 N -0.46 1.82 0.73 3.14 -1.09 -1.26 0.18 121.20 124.27 2kgi s ILE 47 Ca 0.06 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.52 2kgi s ILE 47 Cb -0.12 -1.59 0.08 0.00 -1.58 0.00 0.00 42.46 39.25 2kgi s ILE 47 CO 0.02 0.51 1.05 0.00 -1.23 0.00 0.00 174.94 175.29 2kgi h ILE 49 N -0.71 0.78 0.00 0.00 -0.00 -2.01 -1.83 117.51 113.74 2kgi h ILE 49 Ca -0.44 -0.87 -0.02 0.00 -0.00 0.00 0.00 64.86 63.53 2kgi h ILE 49 Cb 1.30 1.53 -0.00 0.00 -0.00 0.00 0.00 36.82 39.65 2kgi h ILE 49 CO 0.57 0.21 -0.10 0.78 -0.00 0.00 0.00 178.15 179.61 2kgi h ASN 50 N 0.00 0.00 -0.02 2.16 2.35 -1.99 -2.01 115.58 116.06 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 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2kgi h ASN 50 CO 0.03 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 175.91