#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 3.95 0.05 2.61 0.04 -1.26 -4.74 135.00 135.65 3kvp s PRO 22 Ca 0.00 0.63 0.04 0.00 0.04 0.00 0.00 61.00 61.71 3kvp s PRO 22 Cb 0.00 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3kvp s PRO 22 CO 0.00 0.11 -0.13 -0.08 0.04 0.00 0.00 177.00 176.95 3kvp s THR 23 N -2.07 0.99 0.13 1.26 -1.32 -1.26 -5.02 115.64 108.35 3kvp s THR 23 Ca 0.54 -1.10 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 3kvp s THR 23 Cb -0.10 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3kvp s THR 23 CO 0.20 -0.15 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.43 3kvp s SER 24 N -1.41 1.64 -0.00 8.08 1.04 -1.26 -4.43 113.70 117.36 3kvp s SER 24 Ca -0.02 -0.96 -0.17 0.00 0.48 0.00 0.00 55.95 55.28 3kvp s SER 24 Cb -0.09 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3kvp s SER 24 CO 0.01 -0.33 0.37 0.72 0.98 0.00 0.00 173.24 174.99 3kvp s PHE 25 N -3.15 -0.23 0.47 5.02 -0.12 -0.65 -5.00 117.98 114.32 3kvp s PHE 25 Ca 0.13 0.31 -0.13 0.00 -0.05 0.00 0.00 56.93 57.19 3kvp s PHE 25 Cb 0.02 0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.49 3kvp s PHE 25 CO -0.00 -0.46 0.89 -1.25 -0.05 0.00 0.00 175.22 174.35 3kvp s PRO 26 N -1.68 3.85 0.33 1.99 0.04 -1.26 -0.57 135.00 137.70 3kvp s PRO 26 Ca -0.11 0.73 0.07 0.00 0.04 0.00 0.00 61.00 61.73 3kvp s PRO 26 Cb -0.03 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3kvp s PRO 26 CO 0.03 -0.19 0.25 1.28 0.04 0.00 0.00 177.00 178.41 3kvp n LEU 27 N -1.54 0.00 -4.78 -3.56 4.77 -0.44 -4.83 117.00 106.61 3kvp n LEU 27 Ca 0.05 -3.02 -0.30 0.00 -0.03 0.00 0.00 56.01 52.70 3kvp n LEU 27 Cb 0.54 1.50 0.11 0.00 -2.33 0.00 0.00 43.42 43.24 3kvp n LEU 27 CO 0.48 -0.50 0.70 -1.61 -1.33 0.00 0.00 177.39 175.13 3kvp s GLU 28 N -3.33 1.82 -1.41 3.23 2.02 -1.26 -3.95 118.70 115.82 3kvp s GLU 28 Ca 0.35 0.70 -0.04 0.00 0.02 0.00 0.00 54.97 56.00 3kvp s GLU 28 Cb 0.02 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.39 3kvp s GLU 28 CO 0.25 -1.82 0.68 0.72 0.02 0.00 0.00 175.26 175.11 3kvp n HIS 29 N -3.58 -1.90 -1.46 1.61 8.25 -1.26 -1.50 115.22 115.39 3kvp n HIS 29 Ca 0.07 0.82 -0.16 0.00 -0.26 0.00 0.00 57.72 58.19 3kvp n HIS 29 Cb 0.56 -4.01 -0.07 0.00 1.12 0.00 0.00 29.99 27.59 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 -2.96 -4.42 -4.90 0.41 5.03 -1.26 -4.80 115.26 102.36 3kvp n ASN 30 Ca -0.21 0.40 -0.28 0.00 0.87 0.00 0.00 54.58 55.36 3kvp n ASN 30 Cb 0.64 -3.95 0.02 0.00 -1.02 0.00 0.00 39.78 35.47 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 -2.35 3.44 0.18 3.10 3.76 -0.56 -1.42 115.29 121.43 3kvp s HIS 31 Ca 0.00 0.90 -0.16 0.00 -0.15 0.00 0.00 55.06 55.66 3kvp s HIS 31 Cb 0.00 -2.66 0.02 0.00 1.11 0.00 0.00 32.58 31.05 3kvp s HIS 31 CO 0.00 -0.70 0.46 -0.59 -0.85 0.00 0.00 174.74 173.06 3kvp s PHE 32 N -3.02 -0.04 0.08 1.40 -0.12 -0.65 -1.33 117.98 114.30 3kvp s PHE 32 Ca 0.53 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.15 3kvp s PHE 32 Cb -0.11 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 3kvp s PHE 32 CO 0.48 -0.84 -0.14 0.20 -0.05 0.00 0.00 175.22 174.87 3kvp s GLY 33 N -2.88 0.89 0.00 1.99 0.00 0.26 -0.18 107.32 107.40 3kvp s GLY 33 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3kvp s GLY 33 CO -0.04 -1.07 0.00 -0.62 0.00 0.00 0.00 173.10 171.37 3kvp n VAL 34 N 1.18 0.00 0.00 1.40 0.31 -0.10 -1.63 118.33 119.49 3kvp n VAL 34 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3kvp n VAL 34 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.00 0.00 0.00 5.55 2.13 -0.31 -0.85 120.64 127.17 3kvp n GLU 36 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kvp n GLU 36 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kvp n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kvp n ASP 37 N 0.00 0.00 -0.70 4.31 8.00 -1.26 -1.78 116.55 125.12 3kvp n ASP 37 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 3kvp n ASP 37 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.45 3kvp n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvp n GLY 38 N 0.00 0.56 3.70 0.44 0.00 -1.26 -4.94 105.19 103.69 3kvp n GLY 38 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.83 3.37 -0.07 1.61 2.02 -0.73 0.12 117.35 121.83 3kvp s TYR 39 Ca 0.34 0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 57.17 3kvp s TYR 39 Cb 0.20 -2.17 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 3kvp s TYR 39 CO 0.30 0.22 0.36 0.42 -1.57 0.00 0.00 175.55 175.29 3kvp s ILE 40 N 0.50 5.17 -0.07 2.71 1.01 -0.26 -1.16 121.20 129.10 3kvp s ILE 40 Ca 0.07 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3kvp s ILE 40 Cb -0.12 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3kvp s ILE 40 CO -0.00 0.50 -0.11 -0.54 0.00 0.00 0.00 174.94 174.79 3kvp s LYS 41 N -0.48 1.59 -0.12 2.79 1.02 -0.03 -1.54 119.74 122.97 3kvp s LYS 41 Ca 0.21 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.81 3kvp s LYS 41 Cb -0.15 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 3kvp s LYS 41 CO 0.10 -0.02 -0.01 0.42 -0.92 0.00 0.00 175.35 174.91 3kvp s ILE 42 N 0.83 4.18 0.29 2.17 1.09 0.47 -0.92 121.20 129.31 3kvp s ILE 42 Ca -0.12 -0.28 0.08 0.00 -1.10 0.00 0.00 60.65 59.24 3kvp s ILE 42 Cb -0.15 -2.80 -0.06 0.00 -1.06 0.00 0.00 42.46 38.39 3kvp s ILE 42 CO 0.02 0.54 -0.09 -0.31 -0.10 0.00 0.00 174.94 175.00 3kvp s TYR 43 N -0.23 2.06 -0.04 3.97 1.51 0.74 0.16 117.35 125.51 3kvp s TYR 43 Ca 0.05 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3kvp s TYR 43 Cb -0.12 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 3kvp s TYR 43 CO 0.02 0.40 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.76 3kvp s GLU 44 N -3.67 1.23 -0.27 -0.62 2.12 -0.18 -1.63 118.70 115.68 3kvp s GLU 44 Ca 0.29 -0.32 -0.10 0.00 0.36 0.00 0.00 54.97 55.20 3kvp s GLU 44 Cb 0.02 -1.10 -0.05 0.00 0.26 0.00 0.00 34.13 33.27 3kvp s GLU 44 CO 0.13 0.05 0.16 -0.47 -0.54 0.00 0.00 175.26 174.60 3kvp s TYR 45 N 0.48 3.21 -0.55 5.30 5.04 -0.50 -0.79 117.35 129.54 3kvp s TYR 45 Ca -0.09 0.05 -0.17 0.00 -2.44 0.00 0.00 57.07 54.42 3kvp s TYR 45 Cb -0.12 -2.34 0.12 0.00 0.35 0.00 0.00 41.96 39.97 3kvp s TYR 45 CO 0.02 -0.16 0.56 1.21 -1.34 0.00 0.00 175.55 175.84 3kvp s ASN 46 N 1.62 6.19 0.34 4.32 3.84 0.27 -4.81 114.94 126.71 3kvp s ASN 46 Ca 0.07 -1.65 0.02 0.00 0.21 0.00 0.00 52.86 51.51 3kvp s ASN 46 Cb -0.15 -2.24 0.63 0.00 -0.55 0.00 0.00 41.25 38.94 3kvp s ASN 46 CO 0.09 -0.92 1.99 -0.08 -2.79 0.00 0.00 177.10 175.38 3kvp h GLU 47 N 8.97 0.86 -0.18 0.43 4.81 -1.95 1.03 114.58 128.55 3kvp h GLU 47 Ca -0.30 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3kvp h GLU 47 Cb 1.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3kvp h GLU 47 CO 1.05 0.57 0.08 1.03 -0.73 0.00 0.00 179.01 181.01 3kvp h SER 48 N 0.88 0.24 0.03 1.04 0.87 -1.95 -1.62 113.55 113.05 3kvp h SER 48 Ca 0.27 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3kvp h SER 48 Cb -0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3kvp h SER 48 CO -0.07 0.32 -0.04 0.54 -0.53 0.00 0.00 176.83 177.06 3kvp n ARG 49 N -4.86 1.49 -3.79 2.24 1.74 -1.08 -4.98 116.66 107.42 3kvp n ARG 49 Ca -0.04 -0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 55.87 3kvp n ARG 49 Cb 0.11 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.03 -5.04 -3.57 0.55 4.05 0.35 -4.99 115.26 106.57 3kvp n ASN 50 Ca 0.18 -1.06 -0.13 0.00 0.45 0.00 0.00 54.58 54.02 3kvp n ASN 50 Cb 0.34 -2.75 -0.05 0.00 1.23 0.00 0.00 39.78 38.55 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 -6.20 1.05 0.04 1.20 -1.05 -0.64 -4.97 118.70 108.14 3kvp s GLU 51 Ca 0.41 -0.30 0.06 0.00 -0.15 0.00 0.00 54.97 54.99 3kvp s GLU 51 Cb -0.18 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 3kvp s GLU 51 CO 0.90 -0.39 -0.15 0.54 0.95 0.00 0.00 175.26 177.10 3kvp s VAL 52 N -2.69 3.00 -0.04 1.83 0.11 -1.26 0.96 120.40 122.31 3kvp s VAL 52 Ca -0.04 -1.12 0.05 0.00 -2.93 0.00 0.00 61.98 57.94 3kvp s VAL 52 Cb -0.00 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 3kvp s VAL 52 CO -0.04 0.33 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.33 3kvp s LYS 53 N -1.51 1.91 -0.15 1.54 1.02 0.03 -4.96 119.74 117.63 3kvp s LYS 53 Ca 0.16 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 3kvp s LYS 53 Cb -0.11 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 3kvp s LYS 53 CO 0.06 0.28 1.40 -1.17 -0.92 0.00 0.00 175.35 175.01 3kvp s LEU 54 N -0.03 4.18 -0.17 3.17 2.96 -1.26 -1.01 118.68 126.52 3kvp s LEU 54 Ca -0.03 1.81 0.09 0.00 -0.22 0.00 0.00 54.13 55.78 3kvp s LEU 54 Cb -0.12 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.81 3kvp s LEU 54 CO 0.02 -0.86 0.16 0.29 -1.32 0.00 0.00 176.35 174.64 3kvp n LYS 55 N 6.88 0.68 -3.59 1.98 5.02 0.12 -4.97 118.16 124.29 3kvp n LYS 55 Ca 0.15 0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 3kvp n LYS 55 Cb 0.44 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.53 0.92 -0.04 1.97 2.47 -0.99 -4.99 119.74 116.55 3kvp s LYS 56 Ca -0.17 0.53 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 3kvp s LYS 56 Cb 0.07 0.44 0.03 0.00 -1.46 0.00 0.00 37.83 36.91 3kvp s LYS 56 CO 0.76 -0.22 -0.01 -1.21 0.16 0.00 0.00 175.35 174.83 3kvp s GLU 57 N -0.52 0.44 -0.01 4.03 2.02 -1.26 -0.39 118.70 123.01 3kvp s GLU 57 Ca -0.06 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.01 3kvp s GLU 57 Cb -0.02 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.58 3kvp s GLU 57 CO 0.06 -0.14 -0.13 0.71 0.02 0.00 0.00 175.26 175.77 3kvp s TYR 58 N 1.12 1.18 -0.15 1.61 2.02 -0.59 -5.03 117.35 117.51 3kvp s TYR 58 Ca -0.08 -0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 3kvp s TYR 58 Cb -0.14 -0.75 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3kvp s TYR 58 CO -0.02 -0.02 1.00 0.00 -1.57 0.00 0.00 175.55 174.95 3kvp s ALA 59 N -0.35 3.51 0.48 3.71 0.00 -1.26 -1.11 121.76 126.74 3kvp s ALA 59 Ca 0.05 0.28 0.31 0.00 0.00 0.00 0.00 51.96 52.60 3kvp s ALA 59 Cb -0.05 -3.45 1.41 0.00 0.00 0.00 0.00 23.12 21.02 3kvp s ALA 59 CO -0.00 -0.76 1.73 0.22 0.00 0.00 0.00 175.76 176.95 3kvp h ASP 60 N 7.24 0.19 -0.63 0.00 3.58 0.57 -0.03 116.42 127.33 3kvp h ASP 60 Ca -0.27 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 3kvp h ASP 60 Cb 1.12 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 3kvp h ASP 60 CO 0.89 -0.01 0.13 -2.24 -2.88 0.00 0.00 179.24 175.13 3kvp h ASP 61 N 0.14 0.99 0.33 2.28 2.03 -1.93 0.10 116.42 120.36 3kvp h ASP 61 Ca 0.67 -0.22 -0.10 0.00 -0.73 0.00 0.00 57.03 56.65 3kvp h ASP 61 Cb 2.25 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 40.48 3kvp h ASP 61 CO -0.18 0.97 -0.43 1.05 -1.03 0.00 0.00 179.24 179.62 3kvp h GLU 62 N 0.99 0.14 -0.29 4.15 4.11 -1.40 0.01 114.58 122.28 3kvp h GLU 62 Ca 0.20 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 3kvp h GLU 62 Cb 0.39 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3kvp h GLU 62 CO 0.01 0.55 0.08 -0.07 0.07 0.00 0.00 179.01 179.65 3kvp h LEU 63 N 0.12 0.43 -0.57 3.06 3.38 -1.16 -0.14 115.31 120.44 3kvp h LEU 63 Ca 0.01 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3kvp h LEU 63 Cb 0.82 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3kvp h LEU 63 CO 0.06 0.54 0.34 -0.08 0.09 0.00 0.00 178.44 179.39 3kvp h GLU 64 N 0.31 0.65 0.42 1.13 4.57 -0.26 -0.99 114.58 120.41 3kvp h GLU 64 Ca 0.09 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3kvp h GLU 64 Cb 0.27 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3kvp h GLU 64 CO -0.00 0.43 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.97 3kvp h LEU 65 N 0.67 -0.52 -0.87 1.64 3.38 -0.87 -0.34 115.31 118.39 3kvp h LEU 65 Ca 0.23 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.45 3kvp h LEU 65 Cb 0.04 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 3kvp h LEU 65 CO -0.11 -0.36 0.21 -0.08 0.09 0.00 0.00 178.44 178.19 3kvp h GLU 66 N -0.59 0.18 -0.27 1.13 4.22 -0.69 -2.37 114.58 116.19 3kvp h GLU 66 Ca -0.06 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.22 3kvp h GLU 66 Cb 0.46 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kvp h GLU 66 CO 0.08 0.12 -0.43 1.25 -2.18 0.00 0.00 179.01 177.85 3kvp h HIS 67 N 0.19 0.95 0.00 0.92 2.76 -0.23 -3.03 115.15 116.71 3kvp h HIS 67 Ca 0.54 -0.33 -0.68 0.00 -2.20 0.00 0.00 60.37 57.71 3kvp h HIS 67 Cb 1.09 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 3kvp h HIS 67 CO -0.29 1.12 2.97 0.72 -1.30 0.00 0.00 177.93 181.15 3kvp n HIS 68 N -4.14 2.91 0.00 5.26 8.25 -0.23 -5.11 115.22 122.17 3kvp n HIS 68 Ca -0.05 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 54.77 3kvp n HIS 68 Cb 0.56 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.38 3kvp n HIS 68 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70