#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 3.44 0.32 -0.52 -0.21 -1.26 -4.64 119.66 116.79 3kvp s GLN 21 Ca 0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 3kvp s GLN 21 Cb 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 3kvp s GLN 21 CO 0.00 0.04 0.53 -1.25 -2.12 0.00 0.00 175.29 172.49 3kvp s PRO 22 N -4.42 3.52 -0.00 2.91 0.05 -1.26 -4.41 135.00 131.38 3kvp s PRO 22 Ca 0.42 -0.26 -0.04 0.00 0.05 0.00 0.00 61.00 61.17 3kvp s PRO 22 Cb -0.10 -2.68 -0.00 0.00 0.05 0.00 0.00 34.50 31.77 3kvp s PRO 22 CO 0.38 0.19 0.08 -0.08 0.05 0.00 0.00 177.00 177.61 3kvp s THR 23 N -2.23 0.06 0.22 1.26 -1.32 -1.26 -5.01 115.64 107.36 3kvp s THR 23 Ca 0.41 -0.53 0.01 0.00 -1.21 0.00 0.00 61.69 60.36 3kvp s THR 23 Cb -0.10 -0.29 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 3kvp s THR 23 CO 0.34 -0.29 0.08 -0.94 -2.21 0.00 0.00 174.62 171.60 3kvp s SER 24 N -0.95 0.89 -0.09 8.08 1.04 -1.26 -4.40 113.70 117.02 3kvp s SER 24 Ca -0.10 -1.33 -0.30 0.00 0.48 0.00 0.00 55.95 54.70 3kvp s SER 24 Cb -0.06 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.37 3kvp s SER 24 CO 0.00 -0.72 0.84 0.72 0.98 0.00 0.00 173.24 175.06 3kvp s PHE 25 N -3.85 -0.49 0.54 5.02 -0.12 -0.47 -4.98 117.98 113.62 3kvp s PHE 25 Ca 0.34 0.78 -0.08 0.00 -0.05 0.00 0.00 56.93 57.93 3kvp s PHE 25 Cb 0.07 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3kvp s PHE 25 CO 0.10 -0.49 0.89 -1.25 -0.05 0.00 0.00 175.22 174.42 3kvp s PRO 26 N -1.44 3.55 0.35 1.99 0.04 -1.26 -0.45 135.00 137.78 3kvp s PRO 26 Ca -0.05 0.42 0.02 0.00 0.04 0.00 0.00 61.00 61.43 3kvp s PRO 26 Cb -0.00 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3kvp s PRO 26 CO 0.03 -0.37 0.42 -0.51 0.04 0.00 0.00 177.00 176.62 3kvp s LEU 27 N -4.93 1.31 0.82 -3.56 1.43 -0.51 -4.81 118.68 108.43 3kvp s LEU 27 Ca 0.51 -1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 3kvp s LEU 27 Cb -0.11 1.18 0.09 0.00 0.03 0.00 0.00 46.19 47.38 3kvp s LEU 27 CO 0.49 -1.25 1.10 -1.61 0.23 0.00 0.00 176.35 175.32 3kvp s GLU 28 N -3.08 1.86 -1.44 1.70 2.02 -1.26 -3.88 118.70 114.62 3kvp s GLU 28 Ca 0.34 0.57 -0.06 0.00 0.02 0.00 0.00 54.97 55.85 3kvp s GLU 28 Cb 0.00 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.37 3kvp s GLU 28 CO 0.24 -1.76 0.70 0.72 0.02 0.00 0.00 175.26 175.18 3kvp n HIS 29 N -3.52 -1.92 -2.04 1.61 8.25 -1.26 -1.71 115.22 114.64 3kvp n HIS 29 Ca 0.07 0.83 -0.16 0.00 -0.26 0.00 0.00 57.72 58.20 3kvp n HIS 29 Cb 0.57 -3.95 -0.03 0.00 1.12 0.00 0.00 29.99 27.70 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 -2.94 -4.54 -4.93 0.41 3.02 -1.26 -4.76 115.26 100.26 3kvp n ASN 30 Ca -0.17 0.22 -0.25 0.00 -0.03 0.00 0.00 54.58 54.35 3kvp n ASN 30 Cb 0.62 -3.94 0.02 0.00 -0.61 0.00 0.00 39.78 35.87 3kvp n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3kvp s HIS 31 N -2.62 3.26 0.23 3.10 3.76 -0.69 -0.53 115.29 121.79 3kvp s HIS 31 Ca 0.00 0.45 -0.21 0.00 -0.15 0.00 0.00 55.06 55.15 3kvp s HIS 31 Cb 0.00 -2.50 0.04 0.00 1.11 0.00 0.00 32.58 31.23 3kvp s HIS 31 CO 0.00 -0.56 0.65 -0.59 -0.85 0.00 0.00 174.74 173.39 3kvp s PHE 32 N -2.76 -0.29 0.12 1.40 -0.71 0.20 -1.42 117.98 114.52 3kvp s PHE 32 Ca 0.51 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 56.39 3kvp s PHE 32 Cb -0.10 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 3kvp s PHE 32 CO 0.41 -1.06 -0.14 0.20 -1.34 0.00 0.00 175.22 173.29 3kvp s GLY 33 N -2.86 1.07 0.00 1.99 0.00 0.40 0.13 107.32 108.05 3kvp s GLY 33 Ca 0.08 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3kvp s GLY 33 CO -0.01 -1.32 0.00 -0.62 0.00 0.00 0.00 173.10 171.15 3kvp n VAL 34 N 0.62 0.00 0.00 1.40 0.31 0.46 -1.37 118.33 119.74 3kvp n VAL 34 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kvp n VAL 34 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -4.16 5.55 2.13 -0.85 -1.40 120.64 121.91 3kvp n GLU 36 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 3kvp n GLU 36 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 0.42 -3.10 4.31 5.75 -1.26 -1.45 116.55 121.22 3kvp n ASP 37 Ca 0.00 -1.15 -0.14 0.00 -0.01 0.00 0.00 54.79 53.49 3kvp n ASP 37 Cb 0.00 -1.43 0.07 0.00 -1.03 0.00 0.00 41.12 38.72 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 -2.18 -0.93 3.59 6.12 0.00 -1.26 -5.02 105.19 105.51 3kvp n GLY 38 Ca -0.23 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.35 -0.71 -0.17 1.61 2.02 -0.53 -3.51 117.35 112.71 3kvp s TYR 39 Ca 0.39 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.65 3kvp s TYR 39 Cb -0.05 0.33 0.02 0.00 -0.40 0.00 0.00 41.96 41.86 3kvp s TYR 39 CO 0.67 -0.45 -0.18 0.42 -1.57 0.00 0.00 175.55 174.45 3kvp s ILE 40 N -0.23 1.88 -0.06 2.71 1.01 -0.49 -2.02 121.20 124.00 3kvp s ILE 40 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3kvp s ILE 40 Cb -0.03 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3kvp s ILE 40 CO 0.04 0.49 -0.21 -0.54 0.00 0.00 0.00 174.94 174.72 3kvp s LYS 41 N 1.36 2.61 -0.12 2.79 1.02 -0.49 -0.15 119.74 126.76 3kvp s LYS 41 Ca 0.05 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.22 3kvp s LYS 41 Cb -0.13 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 3kvp s LYS 41 CO -0.12 0.43 -0.17 0.42 -0.92 0.00 0.00 175.35 174.99 3kvp s ILE 42 N -0.27 2.64 0.29 2.17 1.09 -0.43 -0.41 121.20 126.29 3kvp s ILE 42 Ca 0.00 -0.81 0.11 0.00 -1.10 0.00 0.00 60.65 58.86 3kvp s ILE 42 Cb -0.13 -2.08 -0.05 0.00 -1.06 0.00 0.00 42.46 39.14 3kvp s ILE 42 CO 0.03 0.54 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.95 3kvp s TYR 43 N 0.40 2.37 -0.05 3.97 1.51 0.12 -1.05 117.35 124.62 3kvp s TYR 43 Ca -0.13 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3kvp s TYR 43 Cb -0.17 -1.10 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3kvp s TYR 43 CO 0.06 0.67 -0.17 -2.00 -1.11 0.00 0.00 175.55 173.01 3kvp s GLU 44 N -3.56 1.84 -0.33 -0.62 2.12 -0.19 -0.63 118.70 117.34 3kvp s GLU 44 Ca 0.31 -0.61 -0.09 0.00 0.36 0.00 0.00 54.97 54.94 3kvp s GLU 44 Cb -0.04 -1.58 0.01 0.00 0.26 0.00 0.00 34.13 32.79 3kvp s GLU 44 CO 0.16 0.22 0.15 -0.47 -0.54 0.00 0.00 175.26 174.78 3kvp s TYR 45 N 0.10 3.19 -0.58 5.30 5.04 0.30 -1.72 117.35 128.98 3kvp s TYR 45 Ca -0.05 -0.84 -0.21 0.00 -2.44 0.00 0.00 57.07 53.52 3kvp s TYR 45 Cb -0.12 -2.35 0.07 0.00 0.35 0.00 0.00 41.96 39.91 3kvp s TYR 45 CO 0.03 -0.56 0.81 1.21 -1.34 0.00 0.00 175.55 175.70 3kvp s ASN 46 N 1.55 6.22 0.26 4.32 3.84 -0.41 -4.76 114.94 125.97 3kvp s ASN 46 Ca 0.03 -0.96 -0.02 0.00 0.21 0.00 0.00 52.86 52.12 3kvp s ASN 46 Cb -0.18 -2.36 0.42 0.00 -0.55 0.00 0.00 41.25 38.58 3kvp s ASN 46 CO 0.05 -1.19 1.86 -0.08 -2.79 0.00 0.00 177.10 174.96 3kvp h GLU 47 N 9.29 1.05 -0.61 0.43 4.81 -1.96 -0.12 114.58 127.47 3kvp h GLU 47 Ca -0.28 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 3kvp h GLU 47 Cb 1.08 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3kvp h GLU 47 CO 1.09 0.70 0.23 0.77 -0.73 0.00 0.00 179.01 181.07 3kvp h SER 48 N 1.08 0.81 0.04 1.04 0.02 -1.96 -1.61 113.55 112.98 3kvp h SER 48 Ca 0.43 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3kvp h SER 48 Cb 0.24 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3kvp h SER 48 CO -0.19 0.74 -0.34 0.54 -1.14 0.00 0.00 176.83 176.44 3kvp n ARG 49 N -4.31 1.29 -3.74 3.45 1.74 -1.10 -4.98 116.66 109.01 3kvp n ARG 49 Ca 0.05 -1.00 -0.30 0.00 -0.77 0.00 0.00 57.85 55.83 3kvp n ARG 49 Cb 0.18 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.02 -4.19 -4.06 0.55 5.15 -0.11 -5.01 115.26 107.62 3kvp n ASN 50 Ca 0.11 -1.01 -0.09 0.00 -0.60 0.00 0.00 54.58 52.98 3kvp n ASN 50 Cb 0.45 -3.31 -0.11 0.00 -0.53 0.00 0.00 39.78 36.28 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 -6.12 0.52 -0.22 1.20 2.02 -0.88 -5.02 118.70 110.20 3kvp s GLU 51 Ca 0.37 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3kvp s GLU 51 Cb -0.13 0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.15 3kvp s GLU 51 CO 0.87 -0.05 -0.14 0.08 0.02 0.00 0.00 175.26 176.04 3kvp s VAL 52 N -2.53 2.38 -0.14 2.63 1.01 -1.26 -1.28 120.40 121.21 3kvp s VAL 52 Ca -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 3kvp s VAL 52 Cb -0.02 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3kvp s VAL 52 CO -0.04 0.34 -0.02 -0.54 0.00 0.00 0.00 175.10 174.84 3kvp s LYS 53 N 1.28 3.50 0.16 2.72 -0.14 -0.70 -4.96 119.74 121.59 3kvp s LYS 53 Ca 0.01 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 3kvp s LYS 53 Cb -0.15 -2.91 -0.07 0.00 -1.68 0.00 0.00 37.83 33.02 3kvp s LYS 53 CO -0.09 0.38 1.16 -1.17 -0.76 0.00 0.00 175.35 174.88 3kvp s LEU 54 N 0.00 4.45 -0.16 3.17 0.20 -1.26 -1.02 118.68 124.05 3kvp s LEU 54 Ca 0.02 2.13 0.01 0.00 0.69 0.00 0.00 54.13 56.98 3kvp s LEU 54 Cb -0.13 -3.60 -0.10 0.00 -0.43 0.00 0.00 46.19 41.93 3kvp s LEU 54 CO 0.02 -0.34 -0.14 0.29 -0.29 0.00 0.00 176.35 175.89 3kvp n LYS 55 N 2.76 0.40 -3.65 1.98 4.76 -0.22 -4.93 118.16 119.26 3kvp n LYS 55 Ca 0.05 0.09 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 3kvp n LYS 55 Cb 0.46 -1.32 -0.05 0.00 -1.84 0.00 0.00 35.03 32.28 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 -2.32 1.01 -0.27 1.97 2.47 -1.10 -5.02 119.74 116.48 3kvp s LYS 56 Ca -0.22 -0.62 -0.11 0.00 -1.56 0.00 0.00 55.97 53.46 3kvp s LYS 56 Cb 0.06 0.45 0.11 0.00 -1.46 0.00 0.00 37.83 36.98 3kvp s LYS 56 CO 0.37 -0.38 0.61 -2.00 0.16 0.00 0.00 175.35 174.11 3kvp s GLU 57 N -3.44 0.56 -0.06 4.03 2.12 -1.26 -1.31 118.70 119.34 3kvp s GLU 57 Ca 0.01 1.29 0.06 0.00 0.36 0.00 0.00 54.97 56.69 3kvp s GLU 57 Cb 0.01 0.55 -0.01 0.00 0.26 0.00 0.00 34.13 34.94 3kvp s GLU 57 CO -0.09 -0.19 -0.24 0.71 -0.54 0.00 0.00 175.26 174.91 3kvp s TYR 58 N 2.44 2.48 1.02 5.30 2.02 0.79 -4.99 117.35 126.41 3kvp s TYR 58 Ca -0.07 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 55.84 3kvp s TYR 58 Cb -0.10 -1.62 0.20 0.00 -0.40 0.00 0.00 41.96 40.05 3kvp s TYR 58 CO -0.18 -0.19 1.08 0.00 -1.57 0.00 0.00 175.55 174.69 3kvp s ALA 59 N -0.17 0.62 -0.78 3.71 0.00 -1.26 -1.40 121.76 122.47 3kvp s ALA 59 Ca -0.03 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 3kvp s ALA 59 Cb -0.14 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.75 3kvp s ALA 59 CO 0.04 -3.14 1.22 -0.51 0.00 0.00 0.00 175.76 173.37 3kvp s ASP 60 N -2.83 6.26 -0.19 0.00 -0.00 -1.23 -4.73 116.67 113.95 3kvp s ASP 60 Ca 0.67 -0.88 -0.34 0.00 -0.00 0.00 0.00 52.55 52.00 3kvp s ASP 60 Cb -0.22 -2.51 0.14 0.00 -0.00 0.00 0.00 42.92 40.33 3kvp s ASP 60 CO 0.61 -1.62 1.19 1.51 -0.00 0.00 0.00 175.17 176.85 3kvp s ASP 61 N 3.94 -0.16 0.00 0.27 1.47 -1.26 -5.07 116.67 115.86 3kvp s ASP 61 Ca 0.33 0.04 0.30 0.00 1.18 0.00 0.00 52.55 54.40 3kvp s ASP 61 Cb -0.09 0.16 1.40 0.00 -0.34 0.00 0.00 42.92 44.05 3kvp s ASP 61 CO 0.08 -0.24 1.94 -1.84 0.68 0.00 0.00 175.17 175.79