#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvp s PRO 22 N 0.00 3.48 0.02 2.61 0.02 -1.26 -4.20 135.00 135.67 3kvp s PRO 22 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 61.00 60.82 3kvp s PRO 22 Cb 0.00 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3kvp s PRO 22 CO 0.00 0.69 -0.05 -0.08 -0.33 0.00 0.00 177.00 177.23 3kvp s THR 23 N -1.26 0.32 0.25 0.99 -1.32 -1.26 -5.02 115.64 108.34 3kvp s THR 23 Ca 0.25 -0.70 0.06 0.00 -1.21 0.00 0.00 61.69 60.09 3kvp s THR 23 Cb -0.13 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.43 3kvp s THR 23 CO 0.15 -0.25 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.31 3kvp s SER 24 N -1.01 2.46 -0.13 8.08 1.04 -1.26 -4.41 113.70 118.47 3kvp s SER 24 Ca -0.08 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 54.97 3kvp s SER 24 Cb -0.07 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 65.99 3kvp s SER 24 CO -0.00 -0.35 0.58 0.72 0.98 0.00 0.00 173.24 175.17 3kvp s PHE 25 N -3.11 -0.58 0.56 5.02 -0.12 -0.31 -4.98 117.98 114.45 3kvp s PHE 25 Ca 0.27 1.23 -0.14 0.00 -0.05 0.00 0.00 56.93 58.24 3kvp s PHE 25 Cb 0.03 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.63 3kvp s PHE 25 CO 0.10 -0.43 1.00 -1.25 -0.05 0.00 0.00 175.22 174.59 3kvp s PRO 26 N -0.45 3.80 0.32 1.99 0.04 -1.26 0.61 135.00 140.04 3kvp s PRO 26 Ca -0.06 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.92 3kvp s PRO 26 Cb -0.03 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3kvp s PRO 26 CO 0.04 -0.40 0.23 -0.51 0.04 0.00 0.00 177.00 176.40 3kvp s LEU 27 N -4.51 1.68 0.66 -3.56 1.43 0.01 -4.80 118.68 109.59 3kvp s LEU 27 Ca 0.57 -1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 3kvp s LEU 27 Cb -0.10 0.43 0.00 0.00 0.03 0.00 0.00 46.19 46.55 3kvp s LEU 27 CO 0.40 -1.00 1.15 -1.61 0.23 0.00 0.00 176.35 175.52 3kvp s GLU 28 N -3.61 2.68 -1.31 1.70 2.02 -1.26 -3.74 118.70 115.19 3kvp s GLU 28 Ca 0.38 1.55 -0.03 0.00 0.02 0.00 0.00 54.97 56.89 3kvp s GLU 28 Cb 0.03 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.35 3kvp s GLU 28 CO 0.23 -1.37 0.88 0.72 0.02 0.00 0.00 175.26 175.74 3kvp n HIS 29 N -2.33 -2.15 -1.99 1.61 8.25 -1.26 -2.32 115.22 115.03 3kvp n HIS 29 Ca 0.12 0.90 -0.20 0.00 -0.26 0.00 0.00 57.72 58.28 3kvp n HIS 29 Cb 0.51 -4.64 -0.05 0.00 1.12 0.00 0.00 29.99 26.94 3kvp n HIS 29 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3kvp n ASN 30 N -3.05 -5.39 -4.95 0.41 5.03 -1.25 -4.80 115.26 101.26 3kvp n ASN 30 Ca -0.22 0.25 -0.23 0.00 0.87 0.00 0.00 54.58 55.24 3kvp n ASN 30 Cb 0.64 -4.64 0.01 0.00 -1.02 0.00 0.00 39.78 34.78 3kvp n ASN 30 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3kvp s HIS 31 N -2.82 3.24 0.03 3.10 3.76 -0.98 -1.49 115.29 120.14 3kvp s HIS 31 Ca 0.00 0.24 -0.28 0.00 -0.15 0.00 0.00 55.06 54.88 3kvp s HIS 31 Cb 0.00 -2.28 0.07 0.00 1.11 0.00 0.00 32.58 31.48 3kvp s HIS 31 CO 0.00 -0.32 0.64 -0.59 -0.85 0.00 0.00 174.74 173.62 3kvp s PHE 32 N -2.54 -0.60 0.05 1.40 -0.12 -0.18 -0.81 117.98 115.19 3kvp s PHE 32 Ca 0.48 0.81 0.07 0.00 -0.05 0.00 0.00 56.93 58.24 3kvp s PHE 32 Cb -0.10 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 3kvp s PHE 32 CO 0.38 -0.69 -0.18 0.20 -0.05 0.00 0.00 175.22 174.88 3kvp s GLY 33 N -1.77 1.59 0.28 1.99 0.00 0.20 -0.58 107.32 109.03 3kvp s GLY 33 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.45 3kvp s GLY 33 CO 0.01 -1.11 0.00 -0.62 0.00 0.00 0.00 173.10 171.38 3kvp n VAL 34 N 1.46 0.00 0.00 1.40 0.31 -0.24 -1.17 118.33 120.10 3kvp n VAL 34 Ca -0.16 -1.34 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 3kvp n VAL 34 Cb 0.52 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 3kvp n VAL 34 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kvp n GLU 36 N -0.70 0.00 -3.38 5.55 2.13 -0.05 -1.57 120.64 122.61 3kvp n GLU 36 Ca -0.12 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.51 3kvp n GLU 36 Cb 0.36 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.13 3kvp n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3kvp n ASP 37 N 0.00 -5.57 0.00 4.31 2.03 -1.26 -1.86 116.55 114.20 3kvp n ASP 37 Ca 0.00 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.54 3kvp n ASP 37 Cb 0.00 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 35.63 3kvp n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kvp n GLY 38 N -1.33 0.98 3.46 0.27 0.00 -1.26 -4.95 105.19 102.35 3kvp n GLY 38 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3kvp n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kvp s TYR 39 N -1.91 3.06 -0.34 1.61 2.02 -0.78 0.21 117.35 121.22 3kvp s TYR 39 Ca 0.00 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 3kvp s TYR 39 Cb 0.00 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 3kvp s TYR 39 CO 0.00 -0.24 0.23 0.42 -1.57 0.00 0.00 175.55 174.39 3kvp s ILE 40 N 1.06 5.17 0.09 2.71 1.01 -0.22 -0.87 121.20 130.14 3kvp s ILE 40 Ca 0.02 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.47 3kvp s ILE 40 Cb -0.14 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3kvp s ILE 40 CO 0.02 -0.01 -0.07 -0.54 0.00 0.00 0.00 174.94 174.34 3kvp s LYS 41 N 1.70 2.29 -0.05 2.79 1.02 -0.61 -0.60 119.74 126.28 3kvp s LYS 41 Ca 0.06 -0.94 0.02 0.00 0.02 0.00 0.00 55.97 55.13 3kvp s LYS 41 Cb -0.17 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3kvp s LYS 41 CO 0.10 0.53 -0.10 0.42 -0.92 0.00 0.00 175.35 175.38 3kvp s ILE 42 N -1.21 0.94 0.30 2.17 1.01 -0.03 -1.07 121.20 123.31 3kvp s ILE 42 Ca 0.22 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.56 3kvp s ILE 42 Cb -0.11 -0.88 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 3kvp s ILE 42 CO 0.14 0.31 -0.04 -0.31 0.00 0.00 0.00 174.94 175.04 3kvp s TYR 43 N 0.66 2.04 -0.02 3.97 1.51 0.26 0.48 117.35 126.25 3kvp s TYR 43 Ca -0.12 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 3kvp s TYR 43 Cb -0.15 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3kvp s TYR 43 CO 0.02 0.28 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.71 3kvp s GLU 44 N -3.74 0.47 -0.27 -0.62 2.12 -0.77 -1.01 118.70 114.89 3kvp s GLU 44 Ca 0.31 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.47 3kvp s GLU 44 Cb 0.05 -0.50 -0.01 0.00 0.26 0.00 0.00 34.13 33.93 3kvp s GLU 44 CO 0.13 0.02 0.07 -0.47 -0.54 0.00 0.00 175.26 174.46 3kvp s TYR 45 N 0.34 3.10 -0.57 5.30 5.04 -0.55 -1.33 117.35 128.68 3kvp s TYR 45 Ca -0.04 -0.69 -0.21 0.00 -2.44 0.00 0.00 57.07 53.70 3kvp s TYR 45 Cb -0.07 -2.24 0.07 0.00 0.35 0.00 0.00 41.96 40.07 3kvp s TYR 45 CO -0.00 -0.46 0.78 1.21 -1.34 0.00 0.00 175.55 175.73 3kvp s ASN 46 N 1.56 6.23 0.40 4.32 3.84 0.34 -4.82 114.94 126.81 3kvp s ASN 46 Ca 0.05 -0.94 0.09 0.00 0.21 0.00 0.00 52.86 52.28 3kvp s ASN 46 Cb -0.16 -2.35 0.84 0.00 -0.55 0.00 0.00 41.25 39.03 3kvp s ASN 46 CO 0.03 -1.13 1.97 -0.08 -2.79 0.00 0.00 177.10 175.10 3kvp h GLU 47 N 9.23 0.30 0.06 0.43 4.81 -1.95 0.64 114.58 128.10 3kvp h GLU 47 Ca -0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3kvp h GLU 47 Cb 1.08 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3kvp h GLU 47 CO 1.07 0.34 -0.03 1.03 -0.73 0.00 0.00 179.01 180.69 3kvp h SER 48 N 0.29 -0.07 -0.08 1.04 0.87 -1.96 -2.75 113.55 110.89 3kvp h SER 48 Ca 0.07 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3kvp h SER 48 Cb 0.24 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3kvp h SER 48 CO 0.01 0.20 0.00 0.54 -0.53 0.00 0.00 176.83 177.05 3kvp n ARG 49 N -5.00 1.40 -4.09 2.24 1.74 -1.07 -4.95 116.66 106.93 3kvp n ARG 49 Ca -0.08 -0.60 -0.46 0.00 -0.77 0.00 0.00 57.85 55.93 3kvp n ARG 49 Cb 0.17 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3kvp n ARG 49 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kvp n ASN 50 N -0.20 -3.90 -3.61 0.55 4.05 0.22 -4.96 115.26 107.41 3kvp n ASN 50 Ca 0.16 -1.28 -0.14 0.00 0.45 0.00 0.00 54.58 53.77 3kvp n ASN 50 Cb 0.22 -1.53 -0.06 0.00 1.23 0.00 0.00 39.78 39.64 3kvp n ASN 50 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3kvp s GLU 51 N -7.45 0.96 0.15 1.20 -1.05 -0.87 -4.99 118.70 106.66 3kvp s GLU 51 Ca 0.48 -0.17 0.09 0.00 -0.15 0.00 0.00 54.97 55.22 3kvp s GLU 51 Cb -0.27 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 3kvp s GLU 51 CO 0.95 -0.33 -0.16 0.14 0.95 0.00 0.00 175.26 176.82 3kvp s VAL 52 N -2.08 2.91 -0.04 1.83 -7.23 -1.26 -0.51 120.40 114.02 3kvp s VAL 52 Ca -0.07 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3kvp s VAL 52 Cb -0.01 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.57 3kvp s VAL 52 CO 0.01 -0.01 0.10 -0.54 -0.31 0.00 0.00 175.10 174.35 3kvp s LYS 53 N -2.47 0.06 0.46 4.82 3.01 -0.44 -4.97 119.74 120.20 3kvp s LYS 53 Ca 0.21 0.25 -0.25 0.00 -1.01 0.00 0.00 55.97 55.17 3kvp s LYS 53 Cb -0.10 -0.12 -0.08 0.00 -1.01 0.00 0.00 37.83 36.52 3kvp s LYS 53 CO 0.12 -0.12 1.40 -1.17 0.51 0.00 0.00 175.35 176.09 3kvp s LEU 54 N 0.79 4.09 0.00 3.17 2.96 -1.26 -1.84 118.68 126.59 3kvp s LEU 54 Ca -0.06 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 3kvp s LEU 54 Cb -0.08 -3.98 0.00 0.00 0.50 0.00 0.00 46.19 42.63 3kvp s LEU 54 CO -0.03 -1.18 0.00 0.29 -1.32 0.00 0.00 176.35 174.11 3kvp n LYS 55 N -0.25 1.82 -3.70 1.98 5.02 0.18 -4.91 118.16 118.30 3kvp n LYS 55 Ca 0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3kvp n LYS 55 Cb 0.42 -0.88 -0.08 0.00 -0.02 0.00 0.00 35.03 34.47 3kvp n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kvp s LYS 56 N -1.76 0.74 0.01 1.97 2.47 -1.16 -4.99 119.74 117.02 3kvp s LYS 56 Ca 0.00 0.01 0.03 0.00 -1.56 0.00 0.00 55.97 54.45 3kvp s LYS 56 Cb 0.00 0.34 -0.01 0.00 -1.46 0.00 0.00 37.83 36.70 3kvp s LYS 56 CO 0.00 -0.20 -0.09 -1.21 0.16 0.00 0.00 175.35 174.01 3kvp s GLU 57 N -1.10 0.69 0.00 4.03 2.02 -1.26 -0.85 118.70 122.23 3kvp s GLU 57 Ca -0.11 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.36 3kvp s GLU 57 Cb -0.04 -0.64 -0.00 0.00 0.10 0.00 0.00 34.13 33.56 3kvp s GLU 57 CO 0.05 0.16 0.11 0.71 0.02 0.00 0.00 175.26 176.31 3kvp s TYR 58 N -0.52 0.07 0.01 1.61 2.02 0.23 -5.00 117.35 115.77 3kvp s TYR 58 Ca 0.01 -0.17 -0.16 0.00 -0.37 0.00 0.00 57.07 56.37 3kvp s TYR 58 Cb -0.05 -0.07 -0.06 0.00 -0.40 0.00 0.00 41.96 41.38 3kvp s TYR 58 CO 0.00 -0.26 0.46 0.00 -1.57 0.00 0.00 175.55 174.19 3kvp s ALA 59 N -1.30 3.64 0.33 3.71 0.00 -1.26 -1.06 121.76 125.82 3kvp s ALA 59 Ca -0.14 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.75 3kvp s ALA 59 Cb -0.08 -2.49 0.73 0.00 0.00 0.00 0.00 23.12 21.29 3kvp s ALA 59 CO 0.01 0.41 1.85 0.22 0.00 0.00 0.00 175.76 178.24 3kvp h ASP 60 N 4.87 0.75 0.10 0.00 3.58 -0.63 0.34 116.42 125.43 3kvp h ASP 60 Ca -0.50 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 3kvp h ASP 60 Cb 1.21 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 3kvp h ASP 60 CO 0.63 0.37 -0.19 0.44 -2.88 0.00 0.00 179.24 177.62 3kvp h ASP 61 N 0.79 0.16 -0.53 2.28 3.45 -1.94 -1.33 116.42 119.30 3kvp h ASP 61 Ca 0.48 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.92 3kvp h ASP 61 Cb 0.68 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.38 3kvp h ASP 61 CO -0.24 0.36 0.33 -0.33 -1.57 0.00 0.00 179.24 177.79 3kvp h GLU 62 N 0.16 0.65 -0.48 3.56 5.08 -1.33 -2.92 114.58 119.29 3kvp h GLU 62 Ca 0.03 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3kvp h GLU 62 Cb 0.42 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3kvp h GLU 62 CO 0.03 0.43 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.18 3kvp h LEU 63 N 0.66 1.02 -2.15 1.33 3.38 -1.18 -2.59 115.31 115.79 3kvp h LEU 63 Ca 0.20 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kvp h LEU 63 Cb -0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3kvp h LEU 63 CO -0.07 1.19 0.13 -0.33 0.09 0.00 0.00 178.44 179.45 3kvp h GLU 64 N 0.86 0.00 0.00 1.13 4.39 -1.08 -3.52 114.58 116.35 3kvp h GLU 64 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3kvp h GLU 64 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3kvp h GLU 64 CO 0.07 0.00 0.00 1.47 -1.16 0.00 0.00 179.01 179.39