#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvp s GLN 21 N 0.00 4.25 0.72 -0.52 2.00 -1.26 -4.77 119.66 120.08 3kvp s GLN 21 Ca 0.00 0.33 -0.16 0.00 -2.00 0.00 0.00 55.36 53.54 3kvp s GLN 21 Cb 0.00 -3.40 0.03 0.00 0.80 0.00 0.00 33.01 30.44 3kvp s GLN 21 CO 0.00 0.26 1.21 -0.35 -0.50 0.00 0.00 175.29 175.91 3kvp n PRO 22 N 3.36 0.67 -4.07 1.67 -0.04 -1.26 -4.92 135.00 130.41 3kvp n PRO 22 Ca -0.10 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 3kvp n PRO 22 Cb 0.52 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 3kvp n PRO 22 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kvp s THR 23 N -1.72 0.52 0.23 0.52 -1.32 -1.26 -5.03 115.64 107.58 3kvp s THR 23 Ca 0.78 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 3kvp s THR 23 Cb -0.34 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 3kvp s THR 23 CO 0.46 -0.46 0.10 -0.94 -2.21 0.00 0.00 174.62 171.57 3kvp s SER 24 N -1.78 0.79 0.01 8.08 1.04 -1.26 -4.45 113.70 116.13 3kvp s SER 24 Ca -0.07 -1.37 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 3kvp s SER 24 Cb -0.08 0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.34 3kvp s SER 24 CO -0.01 -0.76 0.58 0.72 0.98 0.00 0.00 173.24 174.76 3kvp s PHE 25 N -3.90 -0.52 0.58 5.02 -0.12 -0.62 -4.98 117.98 113.43 3kvp s PHE 25 Ca 0.37 0.73 -0.05 0.00 -0.05 0.00 0.00 56.93 57.93 3kvp s PHE 25 Cb 0.07 0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3kvp s PHE 25 CO 0.12 -0.63 0.88 -1.25 -0.05 0.00 0.00 175.22 174.29 3kvp s PRO 26 N -1.93 2.90 0.29 1.99 0.04 -1.26 -0.44 135.00 136.58 3kvp s PRO 26 Ca -0.08 -0.08 -0.01 0.00 0.04 0.00 0.00 61.00 60.88 3kvp s PRO 26 Cb -0.01 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3kvp s PRO 26 CO 0.03 -0.68 0.33 -0.51 0.04 0.00 0.00 177.00 176.21 3kvp s LEU 27 N -4.95 1.17 0.94 -3.56 1.43 -0.63 -4.79 118.68 108.29 3kvp s LEU 27 Ca 0.54 -1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 3kvp s LEU 27 Cb -0.10 0.97 0.16 0.00 0.03 0.00 0.00 46.19 47.24 3kvp s LEU 27 CO 0.44 -1.10 1.09 -1.61 0.23 0.00 0.00 176.35 175.41 3kvp s GLU 28 N -3.57 0.87 -1.49 1.70 2.02 -1.26 -3.64 118.70 113.33 3kvp s GLU 28 Ca 0.35 1.07 -0.12 0.00 0.02 0.00 0.00 54.97 56.28 3kvp s GLU 28 Cb 0.02 -1.75 0.07 0.00 0.10 0.00 0.00 34.13 32.57 3kvp s GLU 28 CO 0.19 -2.58 1.02 0.72 0.02 0.00 0.00 175.26 174.64 3kvp n HIS 29 N -4.15 -2.45 -1.88 1.61 8.25 -1.26 -1.56 115.22 113.79 3kvp n HIS 29 Ca 0.08 0.92 -0.20 0.00 -0.26 0.00 0.00 57.72 58.26 3kvp n HIS 29 Cb 0.54 -4.25 -0.06 0.00 1.12 0.00 0.00 29.99 27.34 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 -2.86 -5.54 -4.91 0.41 4.13 -1.25 -4.83 115.26 100.39 3kvp n ASN 30 Ca 0.03 0.31 -0.27 0.00 1.68 0.00 0.00 54.58 56.33 3kvp n ASN 30 Cb 0.54 -4.72 0.03 0.00 -1.54 0.00 0.00 39.78 34.08 3kvp n ASN 30 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3kvp s HIS 31 N -2.84 3.30 0.23 3.10 3.76 -0.60 -1.81 115.29 120.43 3kvp s HIS 31 Ca 0.00 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.40 3kvp s HIS 31 Cb 0.00 -2.69 0.02 0.00 1.11 0.00 0.00 32.58 31.02 3kvp s HIS 31 CO 0.00 -0.77 0.61 -0.59 -0.85 0.00 0.00 174.74 173.14 3kvp s PHE 32 N -2.97 -0.13 0.03 1.40 -0.71 0.68 -1.61 117.98 114.67 3kvp s PHE 32 Ca 0.53 -0.25 0.09 0.00 -1.04 0.00 0.00 56.93 56.26 3kvp s PHE 32 Cb -0.11 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 3kvp s PHE 32 CO 0.45 -1.06 -0.25 0.20 -1.34 0.00 0.00 175.22 173.22 3kvp s GLY 33 N -2.90 1.33 0.16 1.99 0.00 0.41 -0.08 107.32 108.24 3kvp s GLY 33 Ca 0.11 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3kvp s GLY 33 CO 0.02 -1.07 0.04 -0.62 0.00 0.00 0.00 173.10 171.47 3kvp n VAL 34 N 1.95 0.00 0.00 1.40 0.31 0.21 -1.59 118.33 120.61 3kvp n VAL 34 Ca -0.17 -0.91 0.00 0.00 -0.01 0.00 0.00 64.34 63.26 3kvp n VAL 34 Cb 0.52 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 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 -0.38 0.00 -3.42 5.55 2.13 -0.20 -0.52 120.64 123.80 3kvp n GLU 36 Ca -0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.49 3kvp n GLU 36 Cb 0.24 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.97 3kvp n GLU 36 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3kvp n ASP 37 N 0.00 -4.58 -0.21 4.31 5.75 -1.26 -2.59 116.55 117.97 3kvp n ASP 37 Ca 0.00 -0.47 -0.03 0.00 -0.01 0.00 0.00 54.79 54.28 3kvp n ASP 37 Cb 0.00 -1.41 -0.01 0.00 -1.03 0.00 0.00 41.12 38.67 3kvp n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kvp n GLY 38 N -0.76 0.44 2.95 6.12 0.00 -1.26 -4.98 105.19 107.70 3kvp n GLY 38 Ca -0.17 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.61 0.43 -0.19 1.61 2.02 -1.07 -0.91 117.35 117.63 3kvp s TYR 39 Ca 0.00 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3kvp s TYR 39 Cb 0.00 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 3kvp s TYR 39 CO 0.00 -0.01 -0.12 0.42 -1.57 0.00 0.00 175.55 174.27 3kvp s ILE 40 N -0.12 2.73 -0.16 2.71 1.01 0.38 -1.03 121.20 126.72 3kvp s ILE 40 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3kvp s ILE 40 Cb -0.02 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 3kvp s ILE 40 CO -0.00 0.49 -0.08 -0.54 0.00 0.00 0.00 174.94 174.80 3kvp s LYS 41 N 1.28 3.46 -0.22 2.79 1.02 0.32 -0.78 119.74 127.61 3kvp s LYS 41 Ca 0.03 -0.62 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3kvp s LYS 41 Cb -0.14 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3kvp s LYS 41 CO -0.07 0.10 0.14 0.42 -0.92 0.00 0.00 175.35 175.03 3kvp s ILE 42 N 0.68 5.32 0.30 2.17 -1.09 -0.22 -0.62 121.20 127.75 3kvp s ILE 42 Ca -0.04 0.16 0.11 0.00 -2.23 0.00 0.00 60.65 58.65 3kvp s ILE 42 Cb -0.15 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 3kvp s ILE 42 CO 0.02 0.39 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.67 3kvp s TYR 43 N 0.71 2.36 -0.06 3.97 1.51 0.89 0.17 117.35 126.90 3kvp s TYR 43 Ca 0.07 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3kvp s TYR 43 Cb -0.12 -1.12 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 3kvp s TYR 43 CO 0.01 0.67 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.92 3kvp s GLU 44 N -3.56 2.22 -0.30 -0.62 2.12 0.37 -0.23 118.70 118.70 3kvp s GLU 44 Ca 0.31 -0.73 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 3kvp s GLU 44 Cb -0.03 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 3kvp s GLU 44 CO 0.16 0.26 0.25 -0.47 -0.54 0.00 0.00 175.26 174.92 3kvp s TYR 45 N 0.08 3.22 -0.52 5.30 5.04 -0.75 -1.07 117.35 128.65 3kvp s TYR 45 Ca -0.07 0.06 -0.19 0.00 -2.44 0.00 0.00 57.07 54.43 3kvp s TYR 45 Cb -0.14 -2.47 0.06 0.00 0.35 0.00 0.00 41.96 39.77 3kvp s TYR 45 CO 0.04 -0.25 0.65 1.21 -1.34 0.00 0.00 175.55 175.86 3kvp s ASN 46 N 1.73 6.22 0.31 4.32 3.84 0.15 -4.81 114.94 126.70 3kvp s ASN 46 Ca 0.09 -0.96 -0.01 0.00 0.21 0.00 0.00 52.86 52.19 3kvp s ASN 46 Cb -0.16 -2.30 0.49 0.00 -0.55 0.00 0.00 41.25 38.73 3kvp s ASN 46 CO 0.11 -0.94 1.96 -0.08 -2.79 0.00 0.00 177.10 175.36 3kvp h GLU 47 N 9.04 1.03 -0.42 0.43 4.81 -1.95 0.43 114.58 127.94 3kvp h GLU 47 Ca -0.28 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.79 3kvp h GLU 47 Cb 1.09 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3kvp h GLU 47 CO 0.99 0.68 -0.14 0.66 -0.73 0.00 0.00 179.01 180.47 3kvp h SER 48 N 1.06 0.86 0.49 1.04 4.64 -1.97 -2.39 113.55 117.29 3kvp h SER 48 Ca 0.31 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kvp h SER 48 Cb -0.06 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3kvp h SER 48 CO -0.08 1.04 -0.38 0.54 -0.87 0.00 0.00 176.83 177.08 3kvp n ARG 49 N -4.26 0.20 -3.61 4.77 1.74 -1.18 -4.97 116.66 109.34 3kvp n ARG 49 Ca -0.01 -0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.74 3kvp n ARG 49 Cb 0.40 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.31 -3.30 -4.18 0.55 5.15 0.14 -5.01 115.26 107.29 3kvp n ASN 50 Ca 0.07 -0.86 -0.21 0.00 -0.60 0.00 0.00 54.58 52.99 3kvp n ASN 50 Cb 0.33 -4.08 -0.13 0.00 -0.53 0.00 0.00 39.78 35.38 3kvp n ASN 50 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kvp s GLU 51 N -5.69 0.97 -0.11 1.20 2.02 -0.56 -4.97 118.70 111.55 3kvp s GLU 51 Ca 0.22 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 3kvp s GLU 51 Cb -0.06 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.13 3kvp s GLU 51 CO 0.81 0.24 -0.05 0.08 0.02 0.00 0.00 175.26 176.37 3kvp s VAL 52 N -1.01 3.83 0.01 2.63 1.01 -1.26 0.33 120.40 125.94 3kvp s VAL 52 Ca 0.02 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3kvp s VAL 52 Cb -0.09 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3kvp s VAL 52 CO 0.02 0.55 -0.24 -0.54 0.00 0.00 0.00 175.10 174.89 3kvp s LYS 53 N -0.23 1.80 -0.05 2.72 -0.14 -0.23 -4.99 119.74 118.62 3kvp s LYS 53 Ca 0.04 -0.96 -0.28 0.00 -1.36 0.00 0.00 55.97 53.41 3kvp s LYS 53 Cb -0.13 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.15 3kvp s LYS 53 CO 0.02 0.49 0.92 -1.17 -0.76 0.00 0.00 175.35 174.86 3kvp s LEU 54 N -0.90 4.31 -0.10 3.17 0.20 -1.26 -0.48 118.68 123.62 3kvp s LEU 54 Ca 0.10 1.50 0.12 0.00 0.69 0.00 0.00 54.13 56.54 3kvp s LEU 54 Cb -0.09 -3.45 -0.18 0.00 -0.43 0.00 0.00 46.19 42.04 3kvp s LEU 54 CO 0.01 -0.29 0.11 0.29 -0.29 0.00 0.00 176.35 176.18 3kvp n LYS 55 N 4.26 1.48 -3.64 1.98 4.76 0.13 -4.93 118.16 122.19 3kvp n LYS 55 Ca 0.05 -0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 3kvp n LYS 55 Cb 0.50 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.29 3kvp n LYS 55 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kvp s LYS 56 N -2.49 0.66 0.01 1.97 2.47 -1.07 -5.00 119.74 116.29 3kvp s LYS 56 Ca -0.06 1.05 0.03 0.00 -1.56 0.00 0.00 55.97 55.43 3kvp s LYS 56 Cb 0.05 0.18 -0.03 0.00 -1.46 0.00 0.00 37.83 36.57 3kvp s LYS 56 CO 0.55 -0.12 -0.06 -1.21 0.16 0.00 0.00 175.35 174.67 3kvp s GLU 57 N 1.27 2.54 -0.06 4.03 2.02 -1.26 -1.05 118.70 126.19 3kvp s GLU 57 Ca -0.07 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 3kvp s GLU 57 Cb -0.05 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.72 3kvp s GLU 57 CO -0.14 0.60 0.14 -0.47 0.02 0.00 0.00 175.26 175.40 3kvp s TYR 58 N -1.03 -0.14 -0.33 1.61 6.14 0.04 -4.99 117.35 118.64 3kvp s TYR 58 Ca 0.18 0.47 -0.25 0.00 0.64 0.00 0.00 57.07 58.11 3kvp s TYR 58 Cb -0.11 -0.14 0.01 0.00 0.42 0.00 0.00 41.96 42.14 3kvp s TYR 58 CO 0.09 -0.18 0.88 0.00 0.64 0.00 0.00 175.55 176.98 3kvp s ALA 59 N 1.40 3.49 -1.41 3.97 0.00 -1.26 -0.47 121.76 127.47 3kvp s ALA 59 Ca -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3kvp s ALA 59 Cb -0.12 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3kvp s ALA 59 CO -0.06 -1.37 2.43 -3.47 0.00 0.00 0.00 175.76 173.29 3kvp n ASP 60 N 6.49 7.20 -1.53 0.00 2.03 -0.08 -4.35 116.55 126.31 3kvp n ASP 60 Ca 0.06 -2.95 0.03 0.00 0.52 0.00 0.00 54.79 52.45 3kvp n ASP 60 Cb 0.48 -1.47 0.06 0.00 -0.72 0.00 0.00 41.12 39.46 3kvp n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3kvp n ASP 61 N 3.14 1.34 0.00 1.67 5.75 -1.26 -4.86 116.55 122.32 3kvp n ASP 61 Ca 0.61 -2.41 0.16 0.00 -0.01 0.00 0.00 54.79 53.14 3kvp n ASP 61 Cb 0.28 -0.37 0.93 0.00 -1.03 0.00 0.00 41.12 40.94 3kvp n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47