#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 3.04 0.46 -3.33 1.01 -1.26 -4.17 120.40 116.15 2kgi s VAL 2 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2kgi s VAL 2 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2kgi s VAL 2 CO 0.00 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.56 2kgi n ALA 4 N -1.12 5.20 -2.76 0.00 0.00 0.42 -4.92 120.51 117.33 2kgi n ALA 4 Ca -0.13 -4.77 -0.35 0.00 0.00 0.00 0.00 53.44 48.19 2kgi n ALA 4 Cb 0.67 -2.11 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.05 3.34 0.19 0.00 0.00 -1.26 -4.79 121.76 116.18 2kgi s ALA 5 Ca 0.34 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 2kgi s ALA 5 Cb 0.09 -1.63 0.16 0.00 0.00 0.00 0.00 23.12 21.75 2kgi s ALA 5 CO 0.05 0.47 1.65 1.96 0.00 0.00 0.00 175.76 179.89 2kgi h GLN 6 N 5.62 0.00 -2.67 0.00 4.20 -1.94 -3.05 115.11 117.28 2kgi h GLN 6 Ca -0.46 -0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.55 2kgi h GLN 6 Cb 1.19 -0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.62 2kgi h GLN 6 CO 0.59 0.00 0.05 -1.71 -0.67 0.00 0.00 178.83 177.09 2kgi n ASN 7 N -5.36 4.93 -4.91 1.46 5.15 -1.26 -5.03 115.26 110.24 2kgi n ASN 7 Ca 0.05 -3.38 -0.31 0.00 -0.60 0.00 0.00 54.58 50.33 2kgi n ASN 7 Cb 0.27 -0.98 -0.04 0.00 -0.53 0.00 0.00 39.78 38.50 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 -2.64 2.85 -0.41 0.00 -0.21 -1.26 -5.10 119.66 112.89 2kgi s GLN 9 Ca 0.38 -0.71 -0.22 0.00 0.02 0.00 0.00 55.36 54.82 2kgi s GLN 9 Cb -0.12 -2.45 0.02 0.00 1.00 0.00 0.00 33.01 31.45 2kgi s GLN 9 CO 0.27 0.44 0.75 1.03 -2.12 0.00 0.00 175.29 175.65 2kgi s ARG 10 N -0.25 3.52 -0.05 2.91 3.00 -1.26 -4.96 118.95 121.86 2kgi s ARG 10 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 55.73 55.67 2kgi s ARG 10 Cb -0.13 -3.89 -0.04 0.00 0.00 0.00 0.00 34.95 30.89 2kgi s ARG 10 CO 0.03 -0.99 0.32 -1.00 0.00 0.00 0.00 175.30 173.66 2kgi h PRO 11 N 8.77 -0.23 -1.12 3.54 0.13 -2.00 -3.48 132.00 137.61 2kgi h PRO 11 Ca -0.25 0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.51 2kgi h PRO 11 Cb 1.09 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2kgi h PRO 11 CO 0.92 -0.15 -0.37 0.00 -0.23 0.00 0.00 178.00 178.17 2kgi n LYS 13 N -2.50 -2.21 0.27 0.00 5.02 -1.26 -5.00 118.16 112.48 2kgi n LYS 13 Ca -0.19 -1.62 -0.10 0.00 -2.02 0.00 0.00 58.31 54.37 2kgi n LYS 13 Cb 0.63 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.13 -0.58 -3.75 4.39 5.19 -2.07 -3.40 116.42 114.07 2kgi h ASP 14 Ca -0.36 0.02 -0.63 0.00 -0.62 0.00 0.00 57.03 55.43 2kgi h ASP 14 Cb 1.07 0.15 -0.16 0.00 0.18 0.00 0.00 39.33 40.56 2kgi h ASP 14 CO 0.24 -0.41 -0.52 -0.54 -3.12 0.00 0.00 179.24 174.89 2kgi s LYS 15 N -4.49 3.98 -0.00 3.56 1.02 -1.26 -5.08 119.74 117.46 2kgi s LYS 15 Ca -0.10 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2kgi s LYS 15 Cb 0.01 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2kgi s LYS 15 CO 0.30 -0.08 -0.06 0.14 -0.92 0.00 0.00 175.35 174.73 2kgi s VAL 16 N 1.46 0.48 -0.02 3.17 -7.23 -1.26 -5.03 120.40 111.96 2kgi s VAL 16 Ca 0.07 -0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 2kgi s VAL 16 Cb -0.15 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2kgi s VAL 16 CO 0.08 0.11 0.18 -1.81 -0.31 0.00 0.00 175.10 173.35 2kgi s ASP 17 N -0.20 6.38 0.13 4.85 1.01 -1.26 -5.10 116.67 122.47 2kgi s ASP 17 Ca 0.02 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.69 2kgi s ASP 17 Cb -0.03 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 2kgi s ASP 17 CO -0.00 0.28 -0.10 0.26 0.21 0.00 0.00 175.17 175.82 2kgi s TRP 18 N -1.28 1.22 -0.02 4.23 0.52 -1.25 -3.75 118.94 118.61 2kgi s TRP 18 Ca 0.26 -0.73 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 2kgi s TRP 18 Cb -0.13 -0.63 0.00 0.00 -1.15 0.00 0.00 33.47 31.56 2kgi s TRP 18 CO 0.17 0.06 0.09 0.08 0.02 0.00 0.00 176.95 177.37 2kgi s VAL 19 N -3.09 0.03 -0.08 4.03 1.01 1.49 -4.77 120.40 119.02 2kgi s VAL 19 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kgi s VAL 19 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2kgi s VAL 19 CO 0.00 -0.14 -0.04 -1.58 0.00 0.00 0.00 175.10 173.34 2kgi s GLN 20 N -0.43 2.94 0.28 2.72 0.74 -1.26 0.01 119.66 124.66 2kgi s GLN 20 Ca -0.05 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.57 2kgi s GLN 20 Cb -0.03 -2.69 -0.09 0.00 1.10 0.00 0.00 33.01 31.29 2kgi s GLN 20 CO 0.00 0.62 1.05 0.00 -0.55 0.00 0.00 175.29 176.42 2kgi n ASP 22 N 1.15 3.73 -0.91 0.00 8.00 0.64 -3.81 116.55 125.35 2kgi n ASP 22 Ca -0.01 -2.16 0.08 0.00 0.71 0.00 0.00 54.79 53.41 2kgi n ASP 22 Cb 0.46 -0.41 0.21 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 0.97 2.47 0.00 0.44 0.00 -1.26 -4.96 105.19 102.85 2kgi n GLY 23 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.98 2.63 0.19 -0.02 0.00 -1.26 -4.81 105.19 102.90 2kgi n GLY 24 Ca 0.16 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.75 -1.65 -4.82 0.00 9.92 -1.25 -4.94 116.55 111.06 2kgi n ASP 26 Ca 0.03 -0.27 -0.22 0.00 -0.53 0.00 0.00 54.79 53.81 2kgi n ASP 26 Cb 0.41 -1.49 -0.04 0.00 -0.64 0.00 0.00 41.12 39.36 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 -5.96 2.69 -0.11 -1.24 2.02 -1.26 -4.73 118.70 110.10 2kgi s GLU 27 Ca 0.36 -1.30 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2kgi s GLU 27 Cb -0.21 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 2kgi s GLU 27 CO 0.44 0.15 0.31 -1.58 0.02 0.00 0.00 175.26 174.60 2kgi s TRP 28 N -2.30 3.55 0.34 1.61 0.52 -1.26 -1.81 118.94 119.59 2kgi s TRP 28 Ca 0.39 0.70 0.03 0.00 0.02 0.00 0.00 56.10 57.24 2kgi s TRP 28 Cb -0.06 -2.28 -0.05 0.00 -1.15 0.00 0.00 33.47 29.93 2kgi s TRP 28 CO 0.26 0.41 0.09 -0.59 0.02 0.00 0.00 176.95 177.13 2kgi s PHE 29 N -0.12 1.80 -0.09 -1.98 -0.12 0.10 -0.43 117.98 117.14 2kgi s PHE 29 Ca 0.19 -1.13 -0.05 0.00 -0.05 0.00 0.00 56.93 55.89 2kgi s PHE 29 Cb -0.14 -1.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.07 2kgi s PHE 29 CO 0.07 -0.18 0.12 -1.01 -0.05 0.00 0.00 175.22 174.16 2kgi s HIS 30 N -3.38 3.51 0.20 3.49 3.76 0.42 0.61 115.29 123.90 2kgi s HIS 30 Ca 0.33 0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 55.53 2kgi s HIS 30 Cb 0.06 -1.89 0.21 0.00 1.11 0.00 0.00 32.58 32.07 2kgi s HIS 30 CO 0.15 0.68 1.63 1.96 -0.85 0.00 0.00 174.74 178.30 2kgi h GLN 31 N 4.77 -0.02 -0.00 1.40 1.08 -1.57 -1.70 115.11 119.07 2kgi h GLN 31 Ca -0.53 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 28.63 2kgi h GLN 31 CO 0.59 -0.02 -0.55 -0.39 -0.95 0.00 0.00 178.83 177.52 2kgi h VAL 32 N -0.02 1.39 0.00 -0.54 -1.51 -1.90 0.39 116.25 114.06 2kgi h VAL 32 Ca 0.28 -1.87 -0.02 0.00 -1.23 0.00 0.00 66.70 63.86 2kgi h VAL 32 Cb 0.45 2.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2kgi h VAL 32 CO -0.62 0.54 -0.58 0.00 -1.23 0.00 0.00 177.57 175.68 2kgi n VAL 34 N -2.90 1.47 -3.20 0.00 3.14 -0.85 -4.77 118.33 111.21 2kgi n VAL 34 Ca 0.01 -1.42 -0.15 0.00 -2.96 0.00 0.00 64.34 59.82 2kgi n VAL 34 Cb 0.57 0.19 0.07 0.00 -1.06 0.00 0.00 33.84 33.61 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 -0.29 -0.21 3.78 7.55 0.00 -1.02 -4.88 105.19 110.13 2kgi n GLY 35 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.28 4.56 -0.01 1.61 1.01 0.13 -5.03 120.40 119.39 2kgi s VAL 36 Ca 0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2kgi s VAL 36 Cb -0.06 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2kgi s VAL 36 CO 0.58 0.09 -0.05 -0.94 0.00 0.00 0.00 175.10 174.78 2kgi s SER 37 N -2.51 4.76 0.32 3.32 1.04 -1.26 -4.40 113.70 114.97 2kgi s SER 37 Ca 0.30 -0.09 0.11 0.00 0.48 0.00 0.00 55.95 56.74 2kgi s SER 37 Cb -0.12 -1.16 0.95 0.00 0.10 0.00 0.00 66.02 65.79 2kgi s SER 37 CO 0.22 0.30 1.69 1.55 0.98 0.00 0.00 173.24 177.98 2kgi h PRO 38 N 4.59 0.41 -0.75 4.02 0.13 -1.99 0.91 132.00 139.32 2kgi h PRO 38 Ca -0.49 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2kgi h PRO 38 Cb 1.17 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2kgi h PRO 38 CO 0.54 0.27 0.43 0.93 -0.23 0.00 0.00 178.00 179.94 2kgi h GLU 39 N 0.42 1.04 -0.01 0.86 5.08 -1.99 -2.67 114.58 117.31 2kgi h GLU 39 Ca 0.67 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 2kgi h GLU 39 Cb 1.40 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kgi h GLU 39 CO -0.55 0.76 -0.03 0.52 -1.00 0.00 0.00 179.01 178.70 2kgi h MET 40 N 1.04 0.05 -0.04 2.33 2.86 -1.19 -1.72 114.93 118.25 2kgi h MET 40 Ca 0.27 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 2kgi h MET 40 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2kgi h MET 40 CO -0.05 0.63 -0.43 0.00 1.06 0.00 0.00 176.91 178.13 2kgi h ALA 41 N 0.42 1.21 0.01 6.32 0.00 -1.51 -2.07 119.26 123.63 2kgi h ALA 41 Ca -0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 2kgi h ALA 41 Cb 0.63 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2kgi h ALA 41 CO 0.01 0.56 -1.35 0.93 0.00 0.00 0.00 179.25 179.41 2kgi h GLU 42 N 0.08 0.03 0.14 0.00 5.08 -1.52 -3.39 114.58 115.00 2kgi h GLU 42 Ca 0.00 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2kgi h GLU 42 Cb 0.79 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kgi h GLU 42 CO 0.06 0.80 -1.03 -0.97 -1.00 0.00 0.00 179.01 176.88 2kgi h ASN 43 N 0.01 0.46 -5.56 1.42 -1.24 -1.16 -3.48 115.58 106.03 2kgi h ASN 43 Ca -0.15 -0.92 -0.23 0.00 0.71 0.00 0.00 56.30 55.72 2kgi h ASN 43 Cb 1.90 -0.15 -0.14 0.00 0.73 0.00 0.00 38.32 40.66 2kgi h ASN 43 CO 0.11 1.48 -0.55 -1.61 -1.29 0.00 0.00 177.43 175.56 2kgi s GLU 44 N -2.45 1.26 0.51 6.67 2.02 -0.79 -5.09 118.70 120.83 2kgi s GLU 44 Ca -0.15 -1.60 -0.23 0.00 0.02 0.00 0.00 54.97 53.01 2kgi s GLU 44 Cb 0.02 0.30 -0.07 0.00 0.10 0.00 0.00 34.13 34.48 2kgi s GLU 44 CO 0.81 -0.43 1.25 -0.25 0.02 0.00 0.00 175.26 176.67 2kgi n ASP 45 N -0.33 2.29 -4.01 -0.19 8.00 -1.26 -4.39 116.55 116.66 2kgi n ASP 45 Ca 0.02 1.00 -0.25 0.00 0.71 0.00 0.00 54.79 56.27 2kgi n ASP 45 Cb 0.65 -1.51 -0.17 0.00 -0.02 0.00 0.00 41.12 40.07 2kgi n ASP 45 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kgi s TYR 46 N -1.29 1.44 -0.18 1.24 5.04 -1.26 -4.94 117.35 117.40 2kgi s TYR 46 Ca 0.68 -0.55 0.01 0.00 -2.44 0.00 0.00 57.07 54.77 2kgi s TYR 46 Cb -0.45 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 40.81 2kgi s TYR 46 CO 0.52 -0.30 -0.17 0.42 -1.34 0.00 0.00 175.55 174.68 2kgi s ILE 47 N 0.78 1.89 0.95 3.14 1.01 -1.26 -0.26 121.20 127.45 2kgi s ILE 47 Ca -0.12 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 2kgi s ILE 47 Cb -0.15 -1.75 0.16 0.00 0.01 0.00 0.00 42.46 40.73 2kgi s ILE 47 CO 0.02 0.46 1.09 0.00 0.00 0.00 0.00 174.94 176.52 2kgi h ILE 49 N -1.86 0.00 -0.01 0.00 -0.00 -2.00 -1.90 117.51 111.74 2kgi h ILE 49 Ca -0.50 -0.28 -0.21 0.00 -0.00 0.00 0.00 64.86 63.88 2kgi h ILE 49 Cb 1.29 1.21 -0.01 0.00 -0.00 0.00 0.00 36.82 39.31 2kgi h ILE 49 CO 0.49 0.00 -0.88 0.78 -0.00 0.00 0.00 178.15 178.54 2kgi h ASN 50 N 0.00 0.38 0.28 2.16 4.21 -2.01 -3.11 115.58 117.49 2kgi h ASN 50 Ca 0.00 -0.30 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2kgi h ASN 50 Cb 0.29 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2kgi h ASN 50 CO 0.00 1.09 -0.52 0.00 -1.29 0.00 0.00 177.43 176.71