#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 0.52 0.44 1.01 -1.26 -4.61 120.40 120.50 2kgi s VAL 2 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2kgi s VAL 2 Cb 0.00 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.72 2kgi s VAL 2 CO 0.00 0.49 0.59 0.00 0.00 0.00 0.00 175.10 176.18 2kgi n ALA 4 N -1.95 4.98 -2.66 0.00 0.00 -0.93 -4.96 120.51 115.00 2kgi n ALA 4 Ca 0.08 -4.80 -0.33 0.00 0.00 0.00 0.00 53.44 48.39 2kgi n ALA 4 Cb 0.62 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.77 3.22 0.22 0.00 0.00 -1.26 -4.90 121.76 116.26 2kgi s ALA 5 Ca 0.33 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2kgi s ALA 5 Cb 0.07 -1.34 0.25 0.00 0.00 0.00 0.00 23.12 22.10 2kgi s ALA 5 CO 0.08 0.62 1.60 1.96 0.00 0.00 0.00 175.76 180.02 2kgi h GLN 6 N 4.69 -0.04 -2.26 0.00 4.20 -1.93 -2.79 115.11 116.97 2kgi h GLN 6 Ca -0.49 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.61 2kgi h GLN 6 Cb 1.18 0.01 -0.41 0.00 0.30 0.00 0.00 27.48 28.56 2kgi h GLN 6 CO 0.56 -0.03 -0.50 -1.71 -0.67 0.00 0.00 178.83 176.48 2kgi n ASN 7 N -5.47 4.32 -4.91 1.46 2.85 -1.26 -5.05 115.26 107.19 2kgi n ASN 7 Ca 0.08 -3.56 -0.31 0.00 -0.11 0.00 0.00 54.58 50.69 2kgi n ASN 7 Cb 0.37 -0.67 -0.04 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 -2.59 1.69 -0.45 0.00 -0.21 -1.26 -5.06 119.66 111.78 2kgi s GLN 9 Ca 0.37 -1.17 -0.25 0.00 0.02 0.00 0.00 55.36 54.32 2kgi s GLN 9 Cb -0.13 -1.95 0.03 0.00 1.00 0.00 0.00 33.01 31.96 2kgi s GLN 9 CO 0.27 0.49 0.91 0.50 -2.12 0.00 0.00 175.29 175.35 2kgi s ARG 10 N -1.45 3.56 -0.08 2.91 3.52 -1.26 -4.95 118.95 121.20 2kgi s ARG 10 Ca 0.12 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.75 2kgi s ARG 10 Cb -0.10 -3.91 -0.13 0.00 -1.56 0.00 0.00 34.95 29.25 2kgi s ARG 10 CO 0.03 -1.17 0.58 -1.00 -0.81 0.00 0.00 175.30 172.93 2kgi h PRO 11 N 8.99 -0.13 -2.22 5.12 0.13 -2.00 -3.48 132.00 138.41 2kgi h PRO 11 Ca -0.24 0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.53 2kgi h PRO 11 Cb 1.08 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 2kgi h PRO 11 CO 1.01 0.28 -0.40 0.00 -0.23 0.00 0.00 178.00 178.66 2kgi n LYS 13 N -2.58 -2.29 -0.39 0.00 5.02 -1.26 -4.93 118.16 111.72 2kgi n LYS 13 Ca -0.20 -1.39 -0.11 0.00 -2.02 0.00 0.00 58.31 54.59 2kgi n LYS 13 Cb 0.63 -1.21 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.11 -2.12 -3.33 4.39 5.19 -2.07 -3.40 116.42 112.97 2kgi h ASP 14 Ca -0.32 0.32 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 2kgi h ASP 14 Cb 0.95 0.93 -0.29 0.00 0.18 0.00 0.00 39.33 41.10 2kgi h ASP 14 CO 0.21 -0.24 -0.45 -0.54 -3.12 0.00 0.00 179.24 175.10 2kgi s LYS 15 N -5.49 0.24 0.08 3.56 1.02 -1.26 -5.16 119.74 112.73 2kgi s LYS 15 Ca -0.12 0.57 0.09 0.00 0.02 0.00 0.00 55.97 56.53 2kgi s LYS 15 Cb 0.11 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.28 2kgi s LYS 15 CO 0.61 -0.16 -0.23 0.14 -0.92 0.00 0.00 175.35 174.79 2kgi s VAL 16 N 1.28 1.88 0.00 3.17 -7.23 -1.26 -5.09 120.40 113.15 2kgi s VAL 16 Ca -0.09 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2kgi s VAL 16 Cb -0.10 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2kgi s VAL 16 CO -0.09 0.11 0.28 -1.81 -0.31 0.00 0.00 175.10 173.28 2kgi s ASP 17 N -1.65 6.53 0.16 4.85 1.01 -1.26 -5.10 116.67 121.21 2kgi s ASP 17 Ca 0.09 0.62 0.05 0.00 0.71 0.00 0.00 52.55 54.02 2kgi s ASP 17 Cb -0.10 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 2kgi s ASP 17 CO 0.04 0.27 -0.11 0.26 0.21 0.00 0.00 175.17 175.83 2kgi s TRP 18 N -1.26 1.36 0.01 4.23 0.52 -1.25 -3.10 118.94 119.44 2kgi s TRP 18 Ca 0.26 -0.73 0.00 0.00 0.02 0.00 0.00 56.10 55.66 2kgi s TRP 18 Cb -0.13 -0.68 -0.01 0.00 -1.15 0.00 0.00 33.47 31.50 2kgi s TRP 18 CO 0.15 0.13 -0.01 0.08 0.02 0.00 0.00 176.95 177.32 2kgi s VAL 19 N -3.26 0.06 -0.10 4.03 1.01 1.48 -4.79 120.40 118.83 2kgi s VAL 19 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2kgi s VAL 19 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2kgi s VAL 19 CO 0.02 -0.17 0.02 -1.58 0.00 0.00 0.00 175.10 173.38 2kgi s GLN 20 N -0.53 3.13 0.14 2.72 0.74 -1.26 -0.80 119.66 123.80 2kgi s GLN 20 Ca -0.06 -0.38 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 2kgi s GLN 20 Cb -0.04 -2.86 -0.07 0.00 1.10 0.00 0.00 33.01 31.14 2kgi s GLN 20 CO -0.00 0.66 0.90 0.00 -0.55 0.00 0.00 175.29 176.30 2kgi n ASP 22 N 2.31 2.29 0.00 0.00 9.92 0.73 -4.08 116.55 127.72 2kgi n ASP 22 Ca -0.00 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 2kgi n ASP 22 Cb 0.49 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 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 0.21 2.62 0.98 0.44 0.00 -1.26 -4.99 105.19 103.18 2kgi n GLY 23 Ca 0.04 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 1.12 0.07 -0.02 0.00 -1.26 -3.96 105.19 106.13 2kgi n GLY 24 Ca 0.00 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.40 -1.88 -4.93 0.00 8.00 -1.25 -4.94 116.55 109.15 2kgi n ASP 26 Ca -0.00 -1.11 -0.26 0.00 0.71 0.00 0.00 54.79 54.13 2kgi n ASP 26 Cb 0.52 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.24 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 -7.02 3.52 -0.17 -1.24 2.02 -1.26 -4.77 118.70 109.79 2kgi s GLU 27 Ca 0.55 -0.32 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 2kgi s GLU 27 Cb -0.31 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 2kgi s GLU 27 CO 0.96 0.31 0.15 -1.58 0.02 0.00 0.00 175.26 175.11 2kgi s TRP 28 N -2.03 3.49 0.36 1.61 0.52 -1.26 -2.30 118.94 119.33 2kgi s TRP 28 Ca 0.39 0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.98 2kgi s TRP 28 Cb -0.10 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2kgi s TRP 28 CO 0.31 0.45 0.08 -0.06 0.02 0.00 0.00 176.95 177.75 2kgi s PHE 29 N -0.15 1.88 0.02 -1.98 0.08 0.02 -2.18 117.98 115.66 2kgi s PHE 29 Ca 0.11 -1.08 -0.09 0.00 0.12 0.00 0.00 56.93 56.00 2kgi s PHE 29 Cb -0.12 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 2kgi s PHE 29 CO 0.01 -0.10 0.32 -1.01 -0.10 0.00 0.00 175.22 174.33 2kgi s HIS 30 N -3.28 3.60 0.24 0.36 3.76 0.28 -0.70 115.29 119.56 2kgi s HIS 30 Ca 0.31 0.69 -0.05 0.00 -0.15 0.00 0.00 55.06 55.87 2kgi s HIS 30 Cb 0.06 -2.08 0.35 0.00 1.11 0.00 0.00 32.58 32.02 2kgi s HIS 30 CO 0.15 0.60 1.85 1.96 -0.85 0.00 0.00 174.74 178.45 2kgi h GLN 31 N 4.10 0.96 0.00 1.40 4.20 -1.46 -2.18 115.11 122.13 2kgi h GLN 31 Ca -0.50 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.03 2kgi h GLN 31 Cb 1.20 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2kgi h GLN 31 CO 0.65 0.64 -0.54 -0.39 -0.67 0.00 0.00 178.83 178.51 2kgi h VAL 32 N 0.99 1.39 0.01 -0.54 -1.51 -1.87 0.55 116.25 115.26 2kgi h VAL 32 Ca 0.38 -1.87 -0.25 0.00 -1.23 0.00 0.00 66.70 63.74 2kgi h VAL 32 Cb 0.18 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 31.31 2kgi h VAL 32 CO -0.18 0.53 -1.30 0.00 -1.23 0.00 0.00 177.57 175.40 2kgi n VAL 34 N -3.24 2.60 -3.41 0.00 3.14 -0.98 -4.86 118.33 111.58 2kgi n VAL 34 Ca -0.07 -1.60 -0.18 0.00 -2.96 0.00 0.00 64.34 59.53 2kgi n VAL 34 Cb 0.99 -0.27 0.08 0.00 -1.06 0.00 0.00 33.84 33.58 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 0.17 -0.36 3.70 7.55 0.00 -1.09 -5.03 105.19 110.13 2kgi n GLY 35 Ca 0.26 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 4.19 -0.02 1.61 1.01 0.19 -5.03 120.40 119.03 2kgi s VAL 36 Ca 0.19 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2kgi s VAL 36 Cb -0.08 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2kgi s VAL 36 CO 0.68 0.32 -0.16 -0.44 0.00 0.00 0.00 175.10 175.50 2kgi s SER 37 N -1.74 3.92 0.34 3.32 0.01 -1.26 -4.22 113.70 114.07 2kgi s SER 37 Ca 0.21 -0.27 0.14 0.00 1.31 0.00 0.00 55.95 57.35 2kgi s SER 37 Cb -0.12 -0.76 1.08 0.00 0.21 0.00 0.00 66.02 66.43 2kgi s SER 37 CO 0.12 0.32 1.67 -0.65 0.41 0.00 0.00 173.24 175.11 2kgi h PRO 38 N 5.14 0.33 -0.57 12.44 0.11 -1.99 0.77 132.00 148.22 2kgi h PRO 38 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2kgi h PRO 38 Cb 1.15 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2kgi h PRO 38 CO 0.50 0.22 0.28 0.93 -0.21 0.00 0.00 178.00 179.71 2kgi h GLU 39 N 0.34 0.82 -0.03 1.05 5.08 -1.98 -1.50 114.58 118.35 2kgi h GLU 39 Ca 0.73 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.96 2kgi h GLU 39 Cb 1.66 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2kgi h GLU 39 CO -0.60 0.66 -0.04 0.52 -1.00 0.00 0.00 179.01 178.56 2kgi h MET 40 N 0.78 0.09 0.04 2.33 2.86 -1.24 -2.64 114.93 117.15 2kgi h MET 40 Ca 0.20 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.56 2kgi h MET 40 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2kgi h MET 40 CO -0.03 0.58 -1.03 0.00 1.06 0.00 0.00 176.91 177.50 2kgi h ALA 41 N 0.51 0.32 0.00 6.32 0.00 -1.50 -2.28 119.26 122.62 2kgi h ALA 41 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 2kgi h ALA 41 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kgi h ALA 41 CO 0.01 0.92 -0.60 0.93 0.00 0.00 0.00 179.25 180.51 2kgi h GLU 42 N 0.13 0.00 0.04 0.00 5.08 -1.36 -3.32 114.58 115.15 2kgi h GLU 42 Ca -0.08 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.97 2kgi h GLU 42 Cb 1.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.91 2kgi h GLU 42 CO 0.17 0.21 -1.70 -0.91 -1.00 0.00 0.00 179.01 175.78 2kgi h ASN 43 N 0.00 0.14 -5.24 1.42 4.21 -1.53 -3.49 115.58 111.09 2kgi h ASN 43 Ca -0.03 -0.27 -0.21 0.00 1.21 0.00 0.00 56.30 57.00 2kgi h ASN 43 Cb 1.22 -0.04 -0.15 0.00 -1.12 0.00 0.00 38.32 38.23 2kgi h ASN 43 CO 0.03 1.24 -0.65 -1.61 -1.29 0.00 0.00 177.43 175.15 2kgi s GLU 44 N -2.60 1.00 0.21 0.81 2.02 -0.86 -5.09 118.70 114.19 2kgi s GLU 44 Ca -0.09 -1.49 -0.32 0.00 0.02 0.00 0.00 54.97 53.10 2kgi s GLU 44 Cb 0.08 0.14 -0.13 0.00 0.10 0.00 0.00 34.13 34.31 2kgi s GLU 44 CO 0.82 -0.25 1.49 -0.25 0.02 0.00 0.00 175.26 177.09 2kgi n ASP 45 N -0.15 2.98 -4.31 -0.19 9.92 -1.26 -4.41 116.55 119.13 2kgi n ASP 45 Ca -0.05 1.12 -0.34 0.00 -0.53 0.00 0.00 54.79 54.99 2kgi n ASP 45 Cb 0.64 -1.44 -0.14 0.00 -0.64 0.00 0.00 41.12 39.54 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 0.35 2.89 -0.18 1.24 5.04 -1.26 -4.95 117.35 120.48 2kgi s TYR 46 Ca 0.72 -0.91 -0.04 0.00 -2.44 0.00 0.00 57.07 54.41 2kgi s TYR 46 Cb -0.65 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 39.65 2kgi s TYR 46 CO 0.45 -0.45 -0.04 0.42 -1.34 0.00 0.00 175.55 174.58 2kgi s ILE 47 N 1.05 3.70 0.71 3.14 -1.09 -1.26 -0.19 121.20 127.26 2kgi s ILE 47 Ca -0.00 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 2kgi s ILE 47 Cb -0.15 -2.64 0.11 0.00 -1.58 0.00 0.00 42.46 38.20 2kgi s ILE 47 CO -0.01 0.46 0.99 0.00 -1.23 0.00 0.00 174.94 175.15 2kgi h ILE 49 N -0.55 1.24 -0.17 0.00 -0.00 -1.99 -1.75 117.51 114.30 2kgi h ILE 49 Ca -0.39 -1.75 -0.12 0.00 -0.00 0.00 0.00 64.86 62.60 2kgi h ILE 49 Cb 1.28 1.97 -0.01 0.00 -0.00 0.00 0.00 36.82 40.06 2kgi h ILE 49 CO 0.45 0.48 -0.40 0.78 -0.00 0.00 0.00 178.15 179.46 2kgi h ASN 50 N 0.00 0.41 0.71 2.16 2.35 -1.99 -2.16 115.58 117.06 2kgi h ASN 50 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2kgi h ASN 50 Cb 0.93 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2kgi h ASN 50 CO 0.06 0.77 -0.26 0.00 -1.65 0.00 0.00 177.43 176.35