#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 4.00 0.52 0.44 1.01 -1.26 -4.48 120.40 120.63 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 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.70 2kgi s VAL 2 CO 0.00 0.48 0.54 0.00 0.00 0.00 0.00 175.10 176.12 2kgi n ALA 4 N -1.88 5.23 -2.82 0.00 0.00 -0.58 -4.93 120.51 115.52 2kgi n ALA 4 Ca 0.06 -4.79 -0.33 0.00 0.00 0.00 0.00 53.44 48.37 2kgi n ALA 4 Cb 0.62 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.92 2.83 0.23 0.00 0.00 -1.26 -4.86 121.76 115.78 2kgi s ALA 5 Ca 0.32 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2kgi s ALA 5 Cb 0.06 -1.28 0.31 0.00 0.00 0.00 0.00 23.12 22.21 2kgi s ALA 5 CO 0.09 0.37 1.62 1.96 0.00 0.00 0.00 175.76 179.80 2kgi h GLN 6 N 6.10 0.02 -2.26 0.00 1.08 -1.93 -2.72 115.11 115.40 2kgi h GLN 6 Ca -0.36 -0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.22 2kgi h GLN 6 Cb 1.19 -0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.21 2kgi h GLN 6 CO 0.56 0.01 -0.47 -1.71 -0.95 0.00 0.00 178.83 176.27 2kgi n ASN 7 N -5.45 4.12 -4.91 1.46 2.85 -1.26 -5.06 115.26 107.01 2kgi n ASN 7 Ca 0.10 -3.48 -0.31 0.00 -0.11 0.00 0.00 54.58 50.77 2kgi n ASN 7 Cb 0.38 -0.71 -0.04 0.00 1.24 0.00 0.00 39.78 40.65 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 -2.56 2.62 -0.53 0.00 -0.21 -1.26 -5.08 119.66 112.64 2kgi s GLN 9 Ca 0.37 -0.73 -0.19 0.00 0.02 0.00 0.00 55.36 54.84 2kgi s GLN 9 Cb -0.13 -2.57 0.07 0.00 1.00 0.00 0.00 33.01 31.39 2kgi s GLN 9 CO 0.27 0.59 0.62 0.50 -2.12 0.00 0.00 175.29 175.15 2kgi s ARG 10 N -1.77 3.09 -0.11 2.91 3.52 -1.26 -4.93 118.95 120.39 2kgi s ARG 10 Ca 0.21 -1.05 -0.09 0.00 -0.13 0.00 0.00 55.73 54.66 2kgi s ARG 10 Cb -0.11 -4.15 -0.08 0.00 -1.56 0.00 0.00 34.95 29.05 2kgi s ARG 10 CO 0.12 -1.29 0.22 -1.00 -0.81 0.00 0.00 175.30 172.54 2kgi h PRO 11 N 9.02 0.00 -3.89 5.12 0.13 -1.99 -3.48 132.00 136.90 2kgi h PRO 11 Ca -0.28 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 2kgi h PRO 11 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2kgi h PRO 11 CO 0.99 0.31 -0.27 0.00 -0.23 0.00 0.00 178.00 178.80 2kgi n LYS 13 N -2.73 0.45 -0.27 0.00 5.02 -1.26 -4.94 118.16 114.43 2kgi n LYS 13 Ca -0.13 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.17 2kgi n LYS 13 Cb 0.59 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.74 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 -0.09 0.65 -3.17 4.39 3.32 -2.07 -3.42 116.42 116.04 2kgi h ASP 14 Ca 0.00 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2kgi h ASP 14 Cb 0.00 -0.09 -0.24 0.00 0.22 0.00 0.00 39.33 39.22 2kgi h ASP 14 CO 0.00 0.40 -0.16 -0.54 -1.72 0.00 0.00 179.24 177.22 2kgi s LYS 15 N -6.06 0.53 0.01 3.56 1.02 -1.26 -5.17 119.74 112.38 2kgi s LYS 15 Ca -0.13 0.96 0.02 0.00 0.02 0.00 0.00 55.97 56.85 2kgi s LYS 15 Cb 0.18 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.54 2kgi s LYS 15 CO 0.78 -0.15 -0.07 0.14 -0.92 0.00 0.00 175.35 175.13 2kgi s VAL 16 N 1.43 0.53 0.11 3.17 -7.23 -1.26 -5.06 120.40 112.08 2kgi s VAL 16 Ca -0.09 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.43 2kgi s VAL 16 Cb -0.07 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 2kgi s VAL 16 CO -0.15 -0.04 0.41 -1.81 -0.31 0.00 0.00 175.10 173.20 2kgi s ASP 17 N -0.66 6.60 0.14 4.85 1.01 -1.26 -5.08 116.67 122.28 2kgi s ASP 17 Ca -0.02 0.74 0.05 0.00 0.71 0.00 0.00 52.55 54.04 2kgi s ASP 17 Cb -0.05 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 2kgi s ASP 17 CO 0.00 0.12 -0.11 0.26 0.21 0.00 0.00 175.17 175.65 2kgi s TRP 18 N -1.51 1.29 0.01 4.23 0.52 -1.25 -2.50 118.94 119.73 2kgi s TRP 18 Ca 0.36 -0.71 0.00 0.00 0.02 0.00 0.00 56.10 55.78 2kgi s TRP 18 Cb -0.13 -0.66 -0.01 0.00 -1.15 0.00 0.00 33.47 31.53 2kgi s TRP 18 CO 0.20 0.10 -0.02 0.08 0.02 0.00 0.00 176.95 177.33 2kgi s VAL 19 N -3.08 0.12 -0.11 4.03 1.01 2.20 -4.77 120.40 119.80 2kgi s VAL 19 Ca 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2kgi s VAL 19 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2kgi s VAL 19 CO 0.01 -0.09 0.08 -1.58 0.00 0.00 0.00 175.10 173.52 2kgi s GLN 20 N -0.38 3.27 0.02 2.72 0.74 -1.26 -0.27 119.66 124.51 2kgi s GLN 20 Ca -0.03 -0.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 2kgi s GLN 20 Cb -0.03 -3.02 -0.07 0.00 1.10 0.00 0.00 33.01 30.99 2kgi s GLN 20 CO -0.00 0.72 1.56 0.00 -0.55 0.00 0.00 175.29 177.02 2kgi n ASP 22 N 5.78 0.59 -0.01 0.00 8.00 0.41 -3.54 116.55 127.79 2kgi n ASP 22 Ca 0.15 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.78 2kgi n ASP 22 Cb 0.42 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.18 1.90 1.52 0.44 0.00 -1.26 -4.97 105.19 103.00 2kgi n GLY 23 Ca 0.00 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 2.79 0.12 -0.02 0.00 -1.26 -4.14 105.19 107.68 2kgi n GLY 24 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.39 -2.55 -4.79 0.00 9.92 -1.23 -4.93 116.55 109.58 2kgi n ASP 26 Ca -0.27 0.19 -0.39 0.00 -0.53 0.00 0.00 54.79 53.79 2kgi n ASP 26 Cb 1.05 -2.22 -0.06 0.00 -0.64 0.00 0.00 41.12 39.25 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 -5.24 4.32 -0.11 -1.24 2.02 -1.26 -4.72 118.70 112.46 2kgi s GLU 27 Ca 0.09 0.83 -0.20 0.00 0.02 0.00 0.00 54.97 55.71 2kgi s GLU 27 Cb -0.05 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2kgi s GLU 27 CO 0.11 0.53 0.54 -1.58 0.02 0.00 0.00 175.26 174.88 2kgi s TRP 28 N -0.81 3.52 0.41 1.61 0.52 -1.26 -1.56 118.94 121.37 2kgi s TRP 28 Ca 0.31 0.99 0.04 0.00 0.02 0.00 0.00 56.10 57.46 2kgi s TRP 28 Cb -0.20 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.44 2kgi s TRP 28 CO 0.20 0.13 0.04 -0.06 0.02 0.00 0.00 176.95 177.28 2kgi s PHE 29 N 0.72 2.13 0.13 -1.98 0.08 0.63 -1.53 117.98 118.16 2kgi s PHE 29 Ca 0.29 -0.89 -0.05 0.00 0.12 0.00 0.00 56.93 56.41 2kgi s PHE 29 Cb -0.16 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2kgi s PHE 29 CO 0.12 0.18 0.36 -1.01 -0.10 0.00 0.00 175.22 174.77 2kgi s HIS 30 N -2.98 3.49 0.19 0.36 3.76 0.22 -0.78 115.29 119.54 2kgi s HIS 30 Ca 0.28 0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 55.61 2kgi s HIS 30 Cb 0.07 -1.99 0.11 0.00 1.11 0.00 0.00 32.58 31.88 2kgi s HIS 30 CO 0.14 0.46 1.82 1.96 -0.85 0.00 0.00 174.74 178.26 2kgi h GLN 31 N 2.93 0.88 0.00 1.40 4.20 -1.17 -2.70 115.11 120.65 2kgi h GLN 31 Ca -0.46 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.05 2kgi h GLN 31 Cb 1.17 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2kgi h GLN 31 CO 0.72 0.65 -0.51 -0.39 -0.67 0.00 0.00 178.83 178.63 2kgi h VAL 32 N 0.88 1.25 0.00 -0.54 -1.51 -1.86 0.33 116.25 114.80 2kgi h VAL 32 Ca 0.23 -1.81 -0.17 0.00 -1.23 0.00 0.00 66.70 63.72 2kgi h VAL 32 Cb 0.00 2.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 2kgi h VAL 32 CO -0.04 0.50 -1.08 0.00 -1.23 0.00 0.00 177.57 175.72 2kgi n VAL 34 N -3.10 2.35 -3.19 0.00 3.14 -1.12 -4.84 118.33 111.58 2kgi n VAL 34 Ca -0.05 -1.50 -0.17 0.00 -2.96 0.00 0.00 64.34 59.65 2kgi n VAL 34 Cb 0.85 -0.15 0.05 0.00 -1.06 0.00 0.00 33.84 33.52 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 0.34 -0.15 3.90 7.55 0.00 -1.19 -5.03 105.19 110.61 2kgi n GLY 35 Ca 0.25 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.18 5.35 0.07 1.61 1.01 0.12 -5.03 120.40 120.35 2kgi s VAL 36 Ca 0.38 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2kgi s VAL 36 Cb -0.17 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kgi s VAL 36 CO 0.47 0.23 -0.17 -0.44 0.00 0.00 0.00 175.10 175.20 2kgi s SER 37 N -2.14 2.00 0.27 3.32 0.01 -1.26 -4.33 113.70 111.56 2kgi s SER 37 Ca 0.32 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 2kgi s SER 37 Cb -0.13 -0.10 0.41 0.00 0.21 0.00 0.00 66.02 66.41 2kgi s SER 37 CO 0.22 0.01 1.56 -2.65 0.41 0.00 0.00 173.24 172.78 2kgi n PRO 38 N 1.40 -0.12 -0.37 12.44 -0.02 -1.26 -0.81 135.00 146.26 2kgi n PRO 38 Ca -0.20 1.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.81 2kgi n PRO 38 Cb 0.54 -2.32 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2kgi n PRO 38 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kgi h GLU 39 N 0.00 1.31 -0.03 -0.52 4.39 -1.97 -1.05 114.58 116.71 2kgi h GLU 39 Ca 0.45 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2kgi h GLU 39 Cb 0.70 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2kgi h GLU 39 CO -1.02 0.89 -0.11 0.52 -1.16 0.00 0.00 179.01 178.13 2kgi h MET 40 N 1.34 0.13 0.05 2.33 2.86 -1.34 -2.20 114.93 118.11 2kgi h MET 40 Ca 0.36 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.67 2kgi h MET 40 Cb -0.12 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2kgi h MET 40 CO -0.07 0.72 -1.05 0.00 1.06 0.00 0.00 176.91 177.56 2kgi h ALA 41 N 0.41 0.30 0.05 6.32 0.00 -1.43 -2.00 119.26 122.91 2kgi h ALA 41 Ca -0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 54.91 53.75 2kgi h ALA 41 Cb 0.73 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kgi h ALA 41 CO 0.02 1.02 -1.85 0.39 0.00 0.00 0.00 179.25 178.84 2kgi n GLU 42 N -3.53 0.68 0.01 0.00 1.02 -0.40 -4.30 120.64 114.12 2kgi n GLU 42 Ca -0.05 0.27 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 2kgi n GLU 42 Cb 0.93 -1.75 -0.12 0.00 -0.02 0.00 0.00 31.44 30.48 2kgi n GLU 42 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2kgi h ASN 43 N 0.03 0.00 -3.15 1.62 4.21 -1.51 -3.48 115.58 113.30 2kgi h ASN 43 Ca -0.35 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 56.69 2kgi h ASN 43 Cb 2.03 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 39.09 2kgi h ASN 43 CO 0.08 0.88 -0.67 -1.61 -1.29 0.00 0.00 177.43 174.82 2kgi s GLU 44 N -2.71 1.51 0.25 0.81 0.41 -0.75 -5.04 118.70 113.18 2kgi s GLU 44 Ca -0.03 -1.76 -0.30 0.00 -0.41 0.00 0.00 54.97 52.47 2kgi s GLU 44 Cb 0.08 -1.02 -0.09 0.00 -1.78 0.00 0.00 34.13 31.32 2kgi s GLU 44 CO 0.82 -0.00 1.19 -0.51 -0.49 0.00 0.00 175.26 176.27 2kgi s ASP 45 N -3.41 7.07 -0.10 -0.19 1.01 -1.26 -4.32 116.67 115.47 2kgi s ASP 45 Ca 0.29 2.36 0.04 0.00 0.71 0.00 0.00 52.55 55.95 2kgi s ASP 45 Cb 0.04 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2kgi s ASP 45 CO 0.11 -0.33 -0.23 -0.47 0.21 0.00 0.00 175.17 174.46 2kgi s TYR 46 N -0.70 2.51 -0.07 4.23 5.04 -1.26 -4.95 117.35 122.14 2kgi s TYR 46 Ca 0.49 -1.05 0.05 0.00 -2.44 0.00 0.00 57.07 54.12 2kgi s TYR 46 Cb -0.34 -1.68 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 2kgi s TYR 46 CO 0.42 -0.43 -0.24 0.42 -1.34 0.00 0.00 175.55 174.38 2kgi s ILE 47 N 0.41 1.99 0.00 3.14 1.09 -1.26 -0.44 121.20 126.12 2kgi s ILE 47 Ca -0.17 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.37 2kgi s ILE 47 Cb -0.18 -1.70 0.00 0.00 -1.06 0.00 0.00 42.46 39.53 2kgi s ILE 47 CO 0.08 0.55 0.00 0.00 -0.10 0.00 0.00 174.94 175.46 2kgi h ILE 49 N -0.78 0.17 -0.07 0.00 -0.00 -2.00 -2.88 117.51 111.94 2kgi h ILE 49 Ca 0.00 -1.24 -0.10 0.00 -0.00 0.00 0.00 64.86 63.52 2kgi h ILE 49 Cb 0.00 2.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.86 2kgi h ILE 49 CO 0.00 0.09 -0.42 0.78 -0.00 0.00 0.00 178.15 178.60 2kgi h ASN 50 N 0.00 0.16 0.00 2.16 2.35 -2.03 -2.93 115.58 115.30 2kgi h ASN 50 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2kgi h ASN 50 Cb 1.08 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2kgi h ASN 50 CO 0.01 0.57 -1.54 0.00 -1.65 0.00 0.00 177.43 174.83