#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 3.73 0.58 0.44 1.01 -1.26 -4.68 120.40 120.22 2kgi s VAL 2 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2kgi s VAL 2 Cb 0.00 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 33.91 2kgi s VAL 2 CO 0.00 0.56 0.68 0.00 0.00 0.00 0.00 175.10 176.33 2kgi s ALA 4 N -2.73 2.94 -0.30 0.00 0.00 -0.33 -4.87 121.76 116.47 2kgi s ALA 4 Ca 0.52 -1.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 2kgi s ALA 4 Cb -0.04 -4.20 0.19 0.00 0.00 0.00 0.00 23.12 19.06 2kgi s ALA 4 CO 0.33 -3.20 0.81 0.00 0.00 0.00 0.00 175.76 173.70 2kgi s ALA 5 N 4.57 -2.91 0.65 0.00 0.00 -1.26 -4.44 121.76 118.36 2kgi s ALA 5 Ca 0.35 1.54 0.25 0.00 0.00 0.00 0.00 51.96 54.09 2kgi s ALA 5 Cb -0.07 -2.41 1.33 0.00 0.00 0.00 0.00 23.12 21.96 2kgi s ALA 5 CO 0.02 -1.53 1.75 1.96 0.00 0.00 0.00 175.76 177.97 2kgi h GLN 6 N 7.92 0.00 -0.02 0.00 4.20 -1.90 0.07 115.11 125.37 2kgi h GLN 6 Ca -0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2kgi h GLN 6 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2kgi h GLN 6 CO 0.08 0.00 -0.41 -1.71 -0.67 0.00 0.00 178.83 176.11 2kgi n ASN 7 N -3.03 1.84 -4.75 1.46 5.15 -1.26 -5.06 115.26 109.61 2kgi n ASN 7 Ca 0.02 -3.80 -0.34 0.00 -0.60 0.00 0.00 54.58 49.86 2kgi n ASN 7 Cb 0.58 -0.53 0.06 0.00 -0.53 0.00 0.00 39.78 39.37 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 -3.99 1.16 -0.58 0.00 0.74 -1.26 -5.10 119.66 110.63 2kgi s GLN 9 Ca 0.70 -0.24 -0.22 0.00 0.05 0.00 0.00 55.36 55.65 2kgi s GLN 9 Cb -0.23 -1.05 0.06 0.00 1.10 0.00 0.00 33.01 32.89 2kgi s GLN 9 CO 0.42 -0.02 0.87 0.50 -0.55 0.00 0.00 175.29 176.50 2kgi s ARG 10 N 0.75 3.19 -0.10 1.67 3.52 -1.26 -4.93 118.95 121.79 2kgi s ARG 10 Ca -0.12 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2kgi s ARG 10 Cb -0.15 -4.14 -0.01 0.00 -1.56 0.00 0.00 34.95 29.10 2kgi s ARG 10 CO 0.02 -1.55 -0.07 -1.00 -0.81 0.00 0.00 175.30 171.89 2kgi h PRO 11 N 9.32 0.00 -5.60 5.12 0.13 -2.00 -3.49 132.00 135.49 2kgi h PRO 11 Ca -0.28 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.43 2kgi h PRO 11 Cb 1.08 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.26 2kgi h PRO 11 CO 1.09 0.00 -0.67 0.00 -0.23 0.00 0.00 178.00 178.19 2kgi n LYS 13 N -4.58 1.13 0.00 0.00 5.02 -1.26 -5.02 118.16 113.45 2kgi n LYS 13 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2kgi n LYS 13 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2kgi n LYS 13 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kgi n ASP 14 N -1.31 0.00 -4.01 4.39 -0.08 -1.26 -4.63 116.55 109.65 2kgi n ASP 14 Ca 0.00 0.91 -0.27 0.00 -1.51 0.00 0.00 54.79 53.92 2kgi n ASP 14 Cb 0.00 -0.41 -0.17 0.00 2.34 0.00 0.00 41.12 42.88 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2kgi s LYS 15 N -2.65 1.88 0.00 -0.67 1.02 -1.26 -5.13 119.74 112.94 2kgi s LYS 15 Ca 0.00 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.61 2kgi s LYS 15 Cb 0.00 -1.66 -0.02 0.00 -0.52 0.00 0.00 37.83 35.63 2kgi s LYS 15 CO 0.00 -0.09 -0.18 0.14 -0.92 0.00 0.00 175.35 174.30 2kgi s VAL 16 N 1.07 1.42 0.59 3.17 -7.23 -1.26 -5.13 120.40 113.02 2kgi s VAL 16 Ca -0.06 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 2kgi s VAL 16 Cb -0.15 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2kgi s VAL 16 CO -0.02 0.33 1.05 -1.81 -0.31 0.00 0.00 175.10 174.34 2kgi s ASP 17 N -0.61 5.89 0.12 4.85 1.11 -1.26 -5.09 116.67 121.68 2kgi s ASP 17 Ca 0.06 1.77 -0.04 0.00 0.18 0.00 0.00 52.55 54.52 2kgi s ASP 17 Cb -0.07 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2kgi s ASP 17 CO -0.00 -1.09 0.12 0.26 1.18 0.00 0.00 175.17 175.64 2kgi s TRP 18 N -2.50 0.57 0.02 4.23 0.52 -1.26 -4.01 118.94 116.51 2kgi s TRP 18 Ca 0.63 -0.98 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 2kgi s TRP 18 Cb -0.15 -0.29 -0.02 0.00 -1.15 0.00 0.00 33.47 31.87 2kgi s TRP 18 CO 0.37 -0.56 0.02 0.08 0.02 0.00 0.00 176.95 176.88 2kgi s VAL 19 N -3.98 0.12 -0.07 4.03 1.01 1.49 -4.72 120.40 118.27 2kgi s VAL 19 Ca 0.17 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2kgi s VAL 19 Cb 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2kgi s VAL 19 CO -0.03 -0.52 -0.23 -1.58 0.00 0.00 0.00 175.10 172.74 2kgi s GLN 20 N -1.75 2.74 0.27 2.72 0.74 -1.26 -0.15 119.66 122.97 2kgi s GLN 20 Ca -0.13 -0.86 -0.29 0.00 0.05 0.00 0.00 55.36 54.12 2kgi s GLN 20 Cb -0.07 -2.25 -0.10 0.00 1.10 0.00 0.00 33.01 31.69 2kgi s GLN 20 CO -0.01 0.34 1.31 0.00 -0.55 0.00 0.00 175.29 176.37 2kgi n ASP 22 N 1.74 2.14 -1.37 0.00 8.00 0.43 -3.68 116.55 123.80 2kgi n ASP 22 Ca 0.03 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.97 2kgi n ASP 22 Cb 0.42 -0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.78 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 0.76 4.10 0.00 0.44 0.00 -1.26 -4.96 105.19 104.28 2kgi n GLY 23 Ca 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.52 1.84 0.30 -0.02 0.00 -1.26 -4.82 105.19 100.70 2kgi n GLY 24 Ca 0.31 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.25 -1.79 -4.89 0.00 9.92 -1.24 -5.03 116.55 108.27 2kgi n ASP 26 Ca -0.10 -0.02 -0.19 0.00 -0.53 0.00 0.00 54.79 53.95 2kgi n ASP 26 Cb 0.30 -0.82 0.06 0.00 -0.64 0.00 0.00 41.12 40.03 2kgi n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kgi n GLU 27 N -0.99 0.62 -4.63 -1.24 1.02 -1.26 -4.69 120.64 109.47 2kgi n GLU 27 Ca -0.01 -3.09 -0.33 0.00 -0.02 0.00 0.00 57.16 53.71 2kgi n GLU 27 Cb 0.51 -0.20 -0.11 0.00 -0.02 0.00 0.00 31.44 31.62 2kgi n GLU 27 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kgi s TRP 28 N -2.55 2.87 0.28 -0.32 0.52 -1.26 -1.50 118.94 116.98 2kgi s TRP 28 Ca 0.58 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.68 2kgi s TRP 28 Cb -0.05 -1.66 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 2kgi s TRP 28 CO 0.37 0.32 0.10 -0.59 0.02 0.00 0.00 176.95 177.16 2kgi s PHE 29 N -0.86 1.62 -0.00 -1.98 -0.12 0.78 -1.19 117.98 116.24 2kgi s PHE 29 Ca 0.14 -1.18 -0.17 0.00 -0.05 0.00 0.00 56.93 55.67 2kgi s PHE 29 Cb -0.11 -0.96 -0.06 0.00 -0.63 0.00 0.00 43.02 41.26 2kgi s PHE 29 CO 0.03 -0.31 0.48 -1.01 -0.05 0.00 0.00 175.22 174.36 2kgi s HIS 30 N -3.64 3.71 0.15 3.49 3.76 0.57 0.53 115.29 123.87 2kgi s HIS 30 Ca 0.37 1.07 -0.23 0.00 -0.15 0.00 0.00 55.06 56.12 2kgi s HIS 30 Cb 0.07 -2.42 0.04 0.00 1.11 0.00 0.00 32.58 31.38 2kgi s HIS 30 CO 0.15 0.52 1.62 1.96 -0.85 0.00 0.00 174.74 178.13 2kgi h GLN 31 N 5.10 -0.25 -0.26 1.40 1.08 -1.66 -2.57 115.11 117.95 2kgi h GLN 31 Ca -0.49 0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 56.55 2kgi h GLN 31 Cb 1.21 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2kgi h GLN 31 CO 0.65 -0.17 -0.55 -0.39 -0.95 0.00 0.00 178.83 177.42 2kgi h VAL 32 N -0.26 1.29 0.00 -0.54 -1.51 -1.91 0.80 116.25 114.11 2kgi h VAL 32 Ca 0.15 -1.75 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 2kgi h VAL 32 Cb 0.49 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2kgi h VAL 32 CO -0.43 0.57 0.00 0.00 -1.23 0.00 0.00 177.57 176.48 2kgi n VAL 34 N -2.76 0.35 0.00 0.00 3.14 -0.99 -4.10 118.33 113.97 2kgi n VAL 34 Ca 0.01 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2kgi n VAL 34 Cb 0.23 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 2.48 0.67 3.25 7.55 0.00 0.21 -5.04 105.19 114.32 2kgi n GLY 35 Ca -0.09 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.84 3.83 0.13 1.61 1.01 0.22 -4.98 120.40 121.38 2kgi s VAL 36 Ca 0.00 -1.30 -0.34 0.00 0.00 0.00 0.00 61.98 60.34 2kgi s VAL 36 Cb 0.00 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 32.96 2kgi s VAL 36 CO 0.00 -0.31 1.17 -1.20 0.00 0.00 0.00 175.10 174.76 2kgi n SER 37 N 4.81 1.16 -0.29 3.32 7.64 -1.26 -4.52 113.62 124.48 2kgi n SER 37 Ca -0.11 1.14 0.06 0.00 1.01 0.00 0.00 58.87 60.97 2kgi n SER 37 Cb 0.44 -1.17 0.17 0.00 -1.01 0.00 0.00 64.21 62.64 2kgi n SER 37 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2kgi h PRO 38 N 3.53 0.05 -0.70 1.43 0.11 -1.98 0.31 132.00 134.75 2kgi h PRO 38 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kgi h PRO 38 Cb 1.35 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 2kgi h PRO 38 CO 0.71 0.03 0.44 0.93 -0.21 0.00 0.00 178.00 179.90 2kgi h GLU 39 N 0.05 0.93 -0.06 1.05 4.39 -1.96 0.13 114.58 119.12 2kgi h GLU 39 Ca 0.44 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.08 2kgi h GLU 39 Cb 0.78 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2kgi h GLU 39 CO -0.78 0.64 0.00 0.52 -1.16 0.00 0.00 179.01 178.24 2kgi h MET 40 N 0.96 0.03 0.00 2.33 2.86 -0.75 -1.12 114.93 119.23 2kgi h MET 40 Ca 0.25 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 2kgi h MET 40 Cb -0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2kgi h MET 40 CO -0.05 0.02 -0.73 0.00 1.06 0.00 0.00 176.91 177.21 2kgi h ALA 41 N 1.04 0.56 -0.00 6.32 0.00 -1.20 -3.13 119.26 122.84 2kgi h ALA 41 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kgi h ALA 41 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kgi h ALA 41 CO -0.04 0.91 -0.56 0.39 0.00 0.00 0.00 179.25 179.95 2kgi n GLU 42 N -3.32 0.14 -0.12 0.00 1.02 0.01 -4.40 120.64 113.96 2kgi n GLU 42 Ca 0.01 -0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 2kgi n GLU 42 Cb 0.81 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 2kgi n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kgi n ASN 43 N -1.35 1.67 -4.20 1.62 3.02 -0.43 -5.04 115.26 110.54 2kgi n ASN 43 Ca 0.06 0.27 -0.15 0.00 -0.03 0.00 0.00 54.58 54.73 2kgi n ASN 43 Cb 0.34 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 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 -2.43 0.91 0.00 3.52 2.02 -1.18 -5.10 118.70 116.44 2kgi s GLU 44 Ca -0.33 -1.19 -0.39 0.00 0.02 0.00 0.00 54.97 53.08 2kgi s GLU 44 Cb 0.12 -0.64 -0.18 0.00 0.10 0.00 0.00 34.13 33.53 2kgi s GLU 44 CO 0.41 0.11 1.23 -0.25 0.02 0.00 0.00 175.26 176.78 2kgi n ASP 45 N 0.52 0.82 -4.28 -0.19 9.92 -1.26 -4.47 116.55 117.60 2kgi n ASP 45 Ca -0.16 1.14 -0.35 0.00 -0.53 0.00 0.00 54.79 54.90 2kgi n ASP 45 Cb 0.58 -1.04 -0.14 0.00 -0.64 0.00 0.00 41.12 39.88 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 0.47 2.94 -0.18 1.24 5.04 -1.26 -4.93 117.35 120.67 2kgi s TYR 46 Ca 0.89 -1.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.37 2kgi s TYR 46 Cb -1.14 -2.08 -0.05 0.00 0.35 0.00 0.00 41.96 39.04 2kgi s TYR 46 CO 0.54 -0.59 0.13 0.42 -1.34 0.00 0.00 175.55 174.71 2kgi s ILE 47 N 1.45 5.42 0.78 3.14 1.09 -1.26 -0.43 121.20 131.39 2kgi s ILE 47 Ca 0.05 0.19 -0.11 0.00 -1.10 0.00 0.00 60.65 59.68 2kgi s ILE 47 Cb -0.14 -3.44 0.07 0.00 -1.06 0.00 0.00 42.46 37.88 2kgi s ILE 47 CO -0.05 0.49 1.14 0.00 -0.10 0.00 0.00 174.94 176.42 2kgi h ILE 49 N -0.94 0.69 0.00 0.00 -0.00 -1.98 -1.96 117.51 113.32 2kgi h ILE 49 Ca -0.46 -0.89 -0.04 0.00 -0.00 0.00 0.00 64.86 63.48 2kgi h ILE 49 Cb 1.32 1.56 -0.01 0.00 -0.00 0.00 0.00 36.82 39.69 2kgi h ILE 49 CO 0.65 0.20 -0.19 0.78 -0.00 0.00 0.00 178.15 179.59 2kgi h ASN 50 N 0.00 0.00 -0.24 2.16 4.21 -2.01 -2.81 115.58 116.88 2kgi h ASN 50 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kgi h ASN 50 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2kgi h ASN 50 CO 0.03 0.19 0.00 0.00 -1.29 0.00 0.00 177.43 176.36