#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 4.15 0.51 0.44 1.01 -1.26 -4.66 120.40 120.60 2kgi s VAL 2 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2kgi s VAL 2 Cb 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2kgi s VAL 2 CO 0.00 0.49 0.49 0.00 0.00 0.00 0.00 175.10 176.07 2kgi n ALA 4 N -1.81 4.98 -2.63 0.00 0.00 -1.04 -4.94 120.51 115.07 2kgi n ALA 4 Ca 0.04 -4.80 -0.30 0.00 0.00 0.00 0.00 53.44 48.39 2kgi n ALA 4 Cb 0.63 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 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 3.11 0.22 0.00 0.00 -1.26 -4.91 121.76 116.13 2kgi s ALA 5 Ca 0.33 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2kgi s ALA 5 Cb 0.08 -1.02 0.27 0.00 0.00 0.00 0.00 23.12 22.45 2kgi s ALA 5 CO 0.07 0.66 1.60 1.96 0.00 0.00 0.00 175.76 180.05 2kgi h GLN 6 N 3.46 -0.03 -2.56 0.00 4.20 -1.93 -3.05 115.11 115.20 2kgi h GLN 6 Ca -0.48 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.62 2kgi h GLN 6 Cb 1.17 0.01 -0.42 0.00 0.30 0.00 0.00 27.48 28.54 2kgi h GLN 6 CO 0.56 -0.02 -0.60 -1.71 -0.67 0.00 0.00 178.83 176.38 2kgi n ASN 7 N -5.48 3.28 -4.93 1.46 5.15 -1.26 -5.07 115.26 108.40 2kgi n ASN 7 Ca 0.09 -3.31 -0.29 0.00 -0.60 0.00 0.00 54.58 50.48 2kgi n ASN 7 Cb 0.38 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 38.89 2kgi n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgi s GLN 9 N -2.98 1.58 -0.56 0.00 -0.21 -1.26 -5.08 119.66 111.16 2kgi s GLN 9 Ca 0.37 -1.24 -0.17 0.00 0.02 0.00 0.00 55.36 54.34 2kgi s GLN 9 Cb -0.12 -1.94 0.13 0.00 1.00 0.00 0.00 33.01 32.08 2kgi s GLN 9 CO 0.28 0.48 0.55 0.50 -2.12 0.00 0.00 175.29 174.98 2kgi s ARG 10 N -1.73 3.02 -0.09 2.91 3.52 -1.26 -4.85 118.95 120.48 2kgi s ARG 10 Ca 0.13 -1.65 -0.20 0.00 -0.13 0.00 0.00 55.73 53.88 2kgi s ARG 10 Cb -0.10 -4.30 -0.17 0.00 -1.56 0.00 0.00 34.95 28.83 2kgi s ARG 10 CO 0.05 -1.37 0.72 -1.00 -0.81 0.00 0.00 175.30 172.88 2kgi h PRO 11 N 8.92 -0.10 -1.10 5.12 0.13 -1.99 -3.48 132.00 139.50 2kgi h PRO 11 Ca -0.29 0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.53 2kgi h PRO 11 Cb 1.10 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 2kgi h PRO 11 CO 1.05 0.44 -0.29 0.00 -0.23 0.00 0.00 178.00 178.97 2kgi n LYS 13 N -1.86 -1.29 -0.00 0.00 5.02 -1.26 -4.99 118.16 113.78 2kgi n LYS 13 Ca -0.15 -1.10 -0.01 0.00 -2.02 0.00 0.00 58.31 55.02 2kgi n LYS 13 Cb 0.54 -0.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.36 -0.17 -3.23 4.39 5.19 -2.07 -3.40 116.42 115.78 2kgi h ASP 14 Ca -0.24 0.02 -0.51 0.00 -0.62 0.00 0.00 57.03 55.68 2kgi h ASP 14 Cb 0.69 0.07 -0.37 0.00 0.18 0.00 0.00 39.33 39.89 2kgi h ASP 14 CO 0.17 -0.05 -0.79 -0.54 -3.12 0.00 0.00 179.24 174.91 2kgi s LYS 15 N -3.26 1.27 0.06 3.56 1.02 -1.26 -5.12 119.74 116.01 2kgi s LYS 15 Ca -0.01 -0.24 0.08 0.00 0.02 0.00 0.00 55.97 55.81 2kgi s LYS 15 Cb 0.01 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2kgi s LYS 15 CO 0.06 -0.33 -0.21 0.14 -0.92 0.00 0.00 175.35 174.09 2kgi s VAL 16 N 1.76 1.72 -0.01 3.17 -7.23 -1.26 -5.14 120.40 113.41 2kgi s VAL 16 Ca 0.04 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2kgi s VAL 16 Cb -0.13 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2kgi s VAL 16 CO -0.07 0.16 0.22 -1.81 -0.31 0.00 0.00 175.10 173.28 2kgi s ASP 17 N -1.35 6.43 0.21 4.85 1.01 -1.26 -5.09 116.67 121.47 2kgi s ASP 17 Ca 0.08 0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.86 2kgi s ASP 17 Cb -0.09 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 2kgi s ASP 17 CO 0.02 0.27 -0.12 0.26 0.21 0.00 0.00 175.17 175.81 2kgi s TRP 18 N -1.30 1.69 0.01 4.23 0.52 -1.25 -2.58 118.94 120.26 2kgi s TRP 18 Ca 0.27 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.77 2kgi s TRP 18 Cb -0.13 -0.84 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2kgi s TRP 18 CO 0.16 0.30 -0.04 0.08 0.02 0.00 0.00 176.95 177.47 2kgi s VAL 19 N -3.04 0.31 -0.10 4.03 1.01 2.63 -4.78 120.40 120.45 2kgi s VAL 19 Ca 0.23 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2kgi s VAL 19 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2kgi s VAL 19 CO 0.07 -0.09 0.04 -1.58 0.00 0.00 0.00 175.10 173.54 2kgi s GLN 20 N -0.57 3.18 0.09 2.72 0.74 -1.26 -0.55 119.66 124.01 2kgi s GLN 20 Ca -0.03 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 2kgi s GLN 20 Cb -0.04 -2.93 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 2kgi s GLN 20 CO -0.00 0.69 0.93 0.00 -0.55 0.00 0.00 175.29 176.36 2kgi n ASP 22 N 2.84 3.92 -1.12 0.00 8.00 0.14 -3.26 116.55 127.08 2kgi n ASP 22 Ca 0.02 -2.69 0.11 0.00 0.71 0.00 0.00 54.79 52.93 2kgi n ASP 22 Cb 0.49 -0.48 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.04 2.11 0.00 0.44 0.00 -1.25 -4.93 105.19 101.60 2kgi n GLY 23 Ca 0.20 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.36 3.93 0.27 -0.02 0.00 -1.26 -4.82 105.19 104.65 2kgi n GLY 24 Ca 0.20 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.10 -1.17 -4.94 0.00 9.92 -1.20 -4.92 116.55 111.14 2kgi n ASP 26 Ca 0.01 0.22 -0.24 0.00 -0.53 0.00 0.00 54.79 54.25 2kgi n ASP 26 Cb 0.35 -1.31 -0.00 0.00 -0.64 0.00 0.00 41.12 39.52 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 -3.36 3.39 -0.07 -1.24 2.02 -1.26 -4.73 118.70 113.44 2kgi s GLU 27 Ca 0.00 -0.32 -0.08 0.00 0.02 0.00 0.00 54.97 54.60 2kgi s GLU 27 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2kgi s GLU 27 CO 0.00 0.01 0.20 -1.58 0.02 0.00 0.00 175.26 173.91 2kgi s TRP 28 N -2.42 3.61 0.37 1.61 0.52 -1.26 -2.45 118.94 118.92 2kgi s TRP 28 Ca 0.43 0.58 0.05 0.00 0.02 0.00 0.00 56.10 57.18 2kgi s TRP 28 Cb -0.10 -1.99 -0.06 0.00 -1.15 0.00 0.00 33.47 30.18 2kgi s TRP 28 CO 0.37 0.70 0.05 -0.06 0.02 0.00 0.00 176.95 178.03 2kgi s PHE 29 N -1.11 2.11 -0.08 -1.98 0.08 0.29 -2.50 117.98 114.79 2kgi s PHE 29 Ca 0.19 -0.90 -0.06 0.00 0.12 0.00 0.00 56.93 56.29 2kgi s PHE 29 Cb -0.13 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 2kgi s PHE 29 CO 0.09 0.13 0.16 -1.01 -0.10 0.00 0.00 175.22 174.49 2kgi s HIS 30 N -3.08 3.58 0.29 0.36 3.76 0.20 -0.82 115.29 119.59 2kgi s HIS 30 Ca 0.33 0.48 0.01 0.00 -0.15 0.00 0.00 55.06 55.72 2kgi s HIS 30 Cb 0.08 -1.91 0.53 0.00 1.11 0.00 0.00 32.58 32.39 2kgi s HIS 30 CO 0.15 0.71 1.88 1.96 -0.85 0.00 0.00 174.74 178.59 2kgi h GLN 31 N 4.58 1.00 -0.05 1.40 4.20 -1.26 -1.80 115.11 123.18 2kgi h GLN 31 Ca -0.53 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 57.99 2kgi h GLN 31 Cb 1.22 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2kgi h GLN 31 CO 0.62 0.66 -0.59 -0.39 -0.67 0.00 0.00 178.83 178.47 2kgi h VAL 32 N 1.03 1.39 0.00 -0.54 -1.51 -1.86 0.44 116.25 115.20 2kgi h VAL 32 Ca 0.43 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 2kgi h VAL 32 Cb 0.30 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2kgi h VAL 32 CO -0.19 0.57 -0.42 0.00 -1.23 0.00 0.00 177.57 176.31 2kgi n VAL 34 N -2.82 1.66 -3.50 0.00 3.14 -1.10 -4.52 118.33 111.19 2kgi n VAL 34 Ca 0.03 -1.50 -0.21 0.00 -2.96 0.00 0.00 64.34 59.70 2kgi n VAL 34 Cb 0.52 0.10 0.08 0.00 -1.06 0.00 0.00 33.84 33.48 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 -0.18 -0.44 3.87 7.55 0.00 -1.16 -4.97 105.19 109.86 2kgi n GLY 35 Ca 0.15 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.32 5.17 -0.13 1.61 1.01 0.15 -5.03 120.40 119.86 2kgi s VAL 36 Ca 0.37 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 2kgi s VAL 36 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kgi s VAL 36 CO 0.70 0.37 -0.01 -0.44 0.00 0.00 0.00 175.10 175.72 2kgi s SER 37 N -1.62 5.07 0.30 3.32 0.01 -1.26 -4.40 113.70 115.12 2kgi s SER 37 Ca 0.29 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2kgi s SER 37 Cb -0.14 -1.68 0.79 0.00 0.21 0.00 0.00 66.02 65.20 2kgi s SER 37 CO 0.16 0.25 1.63 1.55 0.41 0.00 0.00 173.24 177.24 2kgi h PRO 38 N 6.14 0.15 -0.65 12.44 0.13 -1.98 0.15 132.00 148.38 2kgi h PRO 38 Ca -0.39 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2kgi h PRO 38 Cb 1.19 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2kgi h PRO 38 CO 0.61 0.10 0.32 0.93 -0.23 0.00 0.00 178.00 179.73 2kgi h GLU 39 N 0.16 0.91 -0.03 0.86 5.08 -1.98 -2.02 114.58 117.57 2kgi h GLU 39 Ca 0.59 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 2kgi h GLU 39 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2kgi h GLU 39 CO -0.71 0.70 -0.07 0.52 -1.00 0.00 0.00 179.01 178.45 2kgi h MET 40 N 0.91 0.11 0.00 2.33 2.86 -1.10 -1.72 114.93 118.32 2kgi h MET 40 Ca 0.23 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2kgi h MET 40 Cb 0.08 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2kgi h MET 40 CO -0.03 0.65 -0.36 0.00 1.06 0.00 0.00 176.91 178.23 2kgi h ALA 41 N 0.46 1.12 0.00 6.32 0.00 -1.40 0.11 119.26 125.87 2kgi h ALA 41 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kgi h ALA 41 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kgi h ALA 41 CO 0.02 0.46 -0.58 0.93 0.00 0.00 0.00 179.25 180.07 2kgi h GLU 42 N 0.00 0.00 0.00 0.00 5.08 -1.36 -3.39 114.58 114.91 2kgi h GLU 42 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2kgi h GLU 42 Cb 0.78 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 2kgi h GLU 42 CO 0.05 0.00 -1.90 0.09 -1.00 0.00 0.00 179.01 176.24 2kgi n ASN 43 N -2.22 1.92 -4.54 1.42 3.02 -0.65 -5.03 115.26 109.17 2kgi n ASN 43 Ca 0.03 0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 54.71 2kgi n ASN 43 Cb 0.45 -0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.48 1.85 0.28 3.52 0.41 0.33 -5.08 118.70 117.54 2kgi s GLU 44 Ca -0.34 -1.81 -0.30 0.00 -0.41 0.00 0.00 54.97 52.11 2kgi s GLU 44 Cb 0.10 -1.80 -0.11 0.00 -1.78 0.00 0.00 34.13 30.54 2kgi s GLU 44 CO 0.51 0.22 1.62 -0.51 -0.49 0.00 0.00 175.26 176.60 2kgi s ASP 45 N -3.60 6.36 -0.26 -0.19 1.11 -1.26 -4.43 116.67 114.40 2kgi s ASP 45 Ca 0.32 2.95 -0.08 0.00 0.18 0.00 0.00 52.55 55.92 2kgi s ASP 45 Cb -0.01 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 2kgi s ASP 45 CO 0.17 -0.93 0.09 -0.47 1.18 0.00 0.00 175.17 175.20 2kgi s TYR 46 N 0.15 3.11 -0.27 4.23 5.04 -1.26 -4.94 117.35 123.41 2kgi s TYR 46 Ca 0.65 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2kgi s TYR 46 Cb -0.48 -2.26 0.06 0.00 0.35 0.00 0.00 41.96 39.63 2kgi s TYR 46 CO 0.46 -0.36 -0.09 0.42 -1.34 0.00 0.00 175.55 174.64 2kgi s ILE 47 N 1.62 2.17 0.94 3.14 1.01 -1.26 0.28 121.20 129.10 2kgi s ILE 47 Ca 0.06 -1.72 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 2kgi s ILE 47 Cb -0.15 -2.32 0.16 0.00 0.01 0.00 0.00 42.46 40.15 2kgi s ILE 47 CO 0.04 -0.10 1.11 0.00 0.00 0.00 0.00 174.94 175.99 2kgi h ILE 49 N -1.86 0.04 -0.03 0.00 -0.00 -1.99 -0.81 117.51 112.87 2kgi h ILE 49 Ca -0.48 -0.32 -0.16 0.00 -0.00 0.00 0.00 64.86 63.90 2kgi h ILE 49 Cb 1.28 1.30 -0.01 0.00 -0.00 0.00 0.00 36.82 39.39 2kgi h ILE 49 CO 0.47 0.01 -0.71 0.78 -0.00 0.00 0.00 178.15 178.69 2kgi h ASN 50 N 0.00 0.18 0.25 2.16 4.21 -2.02 -2.94 115.58 117.42 2kgi h ASN 50 Ca -0.00 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2kgi h ASN 50 Cb 0.30 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2kgi h ASN 50 CO 0.00 0.83 -0.77 0.00 -1.29 0.00 0.00 177.43 176.20